A0A087X7N7_POEFO Loading...

Regulatory factor X-associated ankyrin-containing protein

AlphaFold DB , UniProt , Accession A0A087X7N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40Very low41.6Very low242 Ų242159.7 Ų159.7100%1.19280%0.803SS**  088.40-74170.3166.900105.3
2M38.7Very low41.1Very low184 Ų184159.1 Ų159.191%0.90680%0.804SS**  cis59.913447-115.9-179.9-172.900113.6
3E41.5Very low40.5Very low179 Ų179151.7 Ų151.784%0.83679%0.792SS**  trans93.797.1177.9-60.9-179.7159.600114.8
4S45.8Very low40.3Very low101 Ų101155.1 Ų155.171%0.70680%0.801SS**  cis85.6140.142.4-49.10000114
5R45.6Very low39.8Very low218 Ų218155.2 Ų155.282%0.82380%0.796SS**  trans89.4138.4153.2-62.6-164.5173.8136.8-0.6117.9
6D43.2Very low39.5Very low116 Ų116154.1 Ų154.162%0.6279%0.79SS**  cis-163.7151.2-0.1-89.7-23.4000109.4
7D41.7Very low39.1Very low135 Ų135152 Ų15272%0.72278%0.777SS**  trans35.4133.4132.2-49.3-30.1000122.7
8E41.9Very low38.8Very low193 Ų193152.3 Ų152.390%0.90277%0.774SS**  -177.3139.292.3-100.1-171.3168.200113.3
9E38.4Very low38.4Very low173 Ų173148.9 Ų148.981%0.80877%0.766SS**  trans-64.1174.4170.6-73.7178.9118.100113.8
10V42Very low37.9Very low123 Ų123149 Ų14975%0.74577%0.768SS**  156.7102.6121.9168.10000106.8
11T39Very low37.5Very low93 Ų93146.3 Ų146.357%0.57177%0.767SS**  110.8154.362.567.30000111.6
12N35.3Very low36.9Very low152 Ų152139.2 Ų139.281%0.81375%0.747SS**  trans77.8116.1156-61.6-20.8000117
13G33.3Very low36.4Very low63 Ų63138.9 Ų138.965%0.64974%0.743SS**  cis106.9129.629.800000108.6
14H37.4Very low35.8Very low199 Ų199138.7 Ų138.792%0.92174%0.742SS**  trans-165.7135132.7-104.481.8000110.7
15H33.6Very low35Very low157 Ų157138.5 Ų138.573%0.72774%0.741SS**  trans-103.2-172.6-171.6-167.336.2000108.9
16I34.2Very low34.3Very low137 Ų137133.2 Ų133.270%0.70374%0.738SS**  trans99.2130.2162.7-53.5177.2000113.8
17Q33.5Very low33.6Very low119 Ų119133.1 Ų133.156%0.55675%0.746SS**  cis170.7148-23.3-122.2174.4-25.500105.2
18Q33.3Very low33.1Very low158 Ų158132.2 Ų132.274%0.73875%0.75SS**  trans69.5149.1143.8-74.4169.8-6.100118.4
19S32Very low32.7Very low87 Ų87129.2 Ų129.261%0.60875%0.745SS**  cis-179162.41.543.80000109.1
20N28.8Very low32.2Very low151 Ų151132.5 Ų132.581%0.80775%0.75SS**  trans85.9106.7145.9-70.7-5000122.4
21A27.9Very low31.7Very low92 Ų92130.3 Ų130.376%0.7675%0.752SS**  70.8114.3104.300000122.5
22A28.3Very low31.3Very low93 Ų93133.5 Ų133.577%0.76977%0.766SS**  85.4142.7120.400000123
23E28.7Very low31.1Very low177 Ų177131.6 Ų131.683%0.82777%0.765SS**  trans98.3104.5152-62.6-171.2-179.300121.9
24H28.8Very low31.3Very low175 Ų175136.4 Ų136.481%0.8178%0.775SS**  56.2122.7117.1-87.5-61.6000123.5
25S29Very low31.1Very low98 Ų98136 Ų13669%0.68577%0.774SS**  trans99.2110.1132.9-49.50000121.5
26S29.8Very low31.6Very low107 Ų107137.2 Ų137.275%0.74878%0.782SS**  trans57.6116.8133.560.90000122.3
27S28.8Very low31.5Very low113 Ų113137.9 Ų137.979%0.7979%0.787SS**  141.2118.4109.366.90000114.9
28S32Very low31.8Very low117 Ų117138.4 Ų138.482%0.81880%0.798SS**  trans38.2109.5140.8-152.10000120.2
29T32.9Very low32Very low129 Ų129139.5 Ų139.579%0.79180%0.803SS**  -161.3122.3127.6-18.20000113
30R28.8Very low32.7Very low243 Ų243143.6 Ų143.692%0.91781%0.813SS**  trans24.9120.3143.4-69.5172158.1152.8-6.6120.2
31G29.7Very low33.2Very low76 Ų76143.7 Ų143.778%0.78481%0.813SS**  90.197.910800000118.9
32N31.4Very low33.6Very low160 Ų160145.7 Ų145.786%0.85681%0.811SS**  trans56.2113.3149.8-94.617.2000120
33S32.2Very low34.2Very low113 Ų113149.2 Ų149.279%0.7982%0.815SS**  -175.4117.5107.325.90000112.2
34N37.3Very low34.7Very low164 Ų164150.5 Ų150.588%0.87782%0.818SS**  trans3890.4154.4-64.50000118.8
35E32.3Very low35.2Very low191 Ų191149.5 Ų149.589%0.89381%0.812SS**  trans-119.2142.8147.8-95.5179156.100109.5D37E35-D37 PolarHBondContact O-N 3.21Å
36M43.8Very low35.8Very low181 Ų181152.5 Ų152.589%0.89282%0.815SS**  trans-67.3115.9-178.6-65.3166.3-133.600109.6
37D33.1Very low36.2Very low152 Ų152151 Ų15181%0.81380%0.804SS**  trans-118.3108.5154.6-79.3-40.7000107.6E35 E39E35-D37 PolarHBondContact O-N 3.21Å; D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 3.24Å
38V38.7Very low37Very low130 Ų130150.5 Ų150.579%0.78880%0.796SS**  trans-70.993.1168.6-179.20000105.5E40V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.48Å
39E37.9Very low37.7Very low181 Ų181147.1 Ų147.185%0.84677%0.771SS**  trans-69.193.2164.1-70.3-162.5173.800107.9D37 D41D37-E39 VanDerWaalsContact C-N 3.31Å; D37-E39 PolarHBondContact O-N 3.24Å; E39-D41 VanDerWaalsContact C-N 3.29Å; E39-D41 PolarHBondContact O-N 3.24Å
40E46.6Very low38.7Very low173 Ų173142.4 Ų142.481%0.80874%0.741SS**  trans-54.297.1148.7-74.2-176.1153.500107.4V38V38-E40 VanDerWaalsContact C-N 3.26Å; V38-E40 PolarHBondContact O-N 3.48Å
41D38.6Very low39.6Very low152 Ų152134.6 Ų134.681%0.81372%0.72SS**  trans17468.7152.4-89.1-25.2000111.3E39E39-D41 VanDerWaalsContact C-N 3.29Å; E39-D41 PolarHBondContact O-N 3.24Å
42D38Very low40.6Very low135 Ų135131.3 Ų131.372%0.72269%0.685SS**  trans-161.131.7156.4-118.3-18.5000115.1
43I39.4Very low41.4Very low166 Ų166133.2 Ų133.285%0.85169%0.685SS**  trans-93.82.8178.1-70.9174.4000113.3
44F40.2Very low42.2Very low204 Ų204134.1 Ų134.190%0.89568%0.677SS**  trans-105.455.5176.5-80.6-81.1000113.6
45K39.4Very low42.6Very low154 Ų154131.5 Ų131.567%0.6766%0.655SS**  trans-130122.1157.8-84.2176.8-174.61470110.2
46H41Very low43.1Very low161 Ų161125.6 Ų125.675%0.74565%0.645SS**  trans107.155.7171.3-43.8-37.6000116.1T48H46-T48 PolarHBondContact O-N 3.48Å
47S37.9Very low43.2Very low76 Ų76121.1 Ų121.153%0.53163%0.625SS.*  trans-54.1113.4145.4176.40000108.8T49S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.2Å; S47-T49 PolarHBondContact OG-OG1 3.46Å
48T46.2Very low43.6Very low102 Ų102119.6 Ų119.663%0.62661%0.613SS**  trans-87.778.4171.8-0.50000108.1H46 L50 V61H46-T48 PolarHBondContact O-N 3.48Å; T48-L50 PolarHBondContact O-N 3.01Å; T48-L50 VanDerWaalsContact O-N 3.14Å; T48-V61 VanDerWaalsContact O-CG2 3.3Å; T48-V61 WeakPolarHBondContact O-CG2 3.4Å
49T46.1Very low44.3Very low47 Ų47115.9 Ų115.929%0.28859%0.59SS.*  trans-65113.1177.2-56.20000109.7S47 T51 E58S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.2Å; S47-T49 PolarHBondContact OG-OG1 3.46Å; T49-T51 HydrophobicContact CG2-CG2 3.71Å; T49-T51 PolarHBondContact O-N 3.27Å; T49-T51 VanDerWaalsContact O-N 3.15Å; T49-E58 HydrophobicContact CG2-CG 3.18Å; T49-E58 WeakPolarHBondContact CG2-OE1 3.3Å
50L53.6Low44.6Very low29 Ų29112 Ų11215%0.15258%0.579CS.*EExtended strand (participates in β ladder)trans-78.597.4168-66.7174.9000107.5T48 V59 Q77T48-L50 PolarHBondContact O-N 3.01Å; T48-L50 VanDerWaalsContact O-N 3.14Å; L50-V59 HydrophobicContact CB-CB 4.46Å; L50-V59 PolarHBondContact N-O 3.23Å; L50-V59 PolarHBondContact O-N 2.84Å; L50-V59 VanDerWaalsContact O-N 3.16Å; L50-Q77 HydrophobicContact CD1-CG 4.5Å; L50-Q77 HydrophobicContact CD2-CG 3.74Å
51T48.4Very low44.9Very low80 Ų80105.3 Ų105.349%0.49155%0.55SS..EExtended strand (participates in β ladder)trans-95116.1170.943.30000108.8T49 K53 E58T49-T51 HydrophobicContact CG2-CG2 3.71Å; T49-T51 PolarHBondContact O-N 3.27Å; T49-T51 VanDerWaalsContact O-N 3.15Å; T51-K53 PolarHBondContact O-N 2.92Å; T51-E58 HydrophobicContact CG2-CG 4.21Å
52N50.1Low45Very low7 Ų7109 Ų1094%0.03755%0.553CS.*  trans-67.1107.5162.6-179.4-27.7000107.5Q54 R55 G56 A110 F111N52-Q54 PolarHBondContact O-N 3.2Å; N52-Q54 PolarHBondContact OD1-N 3.22Å; N52-R55 HydrophobicContact CB-CB 4.25Å; N52-R55 PolarHBondContact O-N 3.4Å; N52-R55 VanDerWaalsContact O-N 3.08Å; N52-R55 PolarHBondContact OD1-N 3.3Å; N52-G56 PolarHBondContact O-N 2.87Å; N52-A110 PolarHBondContact ND2-O 3.41Å; N52-F111 HydrophobicContact CB-CD1 4.18Å; N52-F111 HydrophobicContact CB-CE1 3.89Å; N52-F111 HydrophobicContact CB-CZ 4.38Å
53K49.7Very low45.1Very low199 Ų199107.9 Ų107.987%0.86555%0.552SS**THydrogen-bonded Turntrans-53.4-21.6-176.8-76.1-178.5177.7173.10114T51T51-K53 PolarHBondContact O-N 2.92Å
54Q47.6Very low45.3Very low132 Ų132103.1 Ų103.162%0.61754%0.538SS*.THydrogen-bonded Turntrans-99.8-19.7-177.4-61.6-66.9-2100113.9N52 Y146N52-Q54 PolarHBondContact O-N 3.2Å; N52-Q54 PolarHBondContact OD1-N 3.22Å; Q54-Y146 HydrophobicContact CG-CE1 4.47Å
55R45.8Very low45.4Very low110 Ų11098.4 Ų98.442%0.41553%0.526SS..THydrogen-bonded Turntrans-110.2-17.3-174.2-68.4-173.170179.33.7114.9N52 N57N52-R55 HydrophobicContact CB-CB 4.25Å; N52-R55 PolarHBondContact O-N 3.4Å; N52-R55 VanDerWaalsContact O-N 3.08Å; N52-R55 PolarHBondContact OD1-N 3.3Å; R55-N57 HydrophobicContact CB-CB 4.34Å; R55-N57 PolarHBondContact O-N 3.15Å
56G44Very low45.6Very low66 Ų6699.4 Ų99.468%0.6854%0.538SS*.  trans62.79.3-17100000113.8N52 E58N52-G56 PolarHBondContact O-N 2.87Å; G56-E58 PolarHBondContact O-N 3.04Å; G56-E58 VanDerWaalsContact O-N 3.12Å
57N44.6Very low45.9Very low88 Ų8899.2 Ų99.247%0.47154%0.542SS..  trans-71.5106.5170.6-89.912.7000107.8R55R55-N57 HydrophobicContact CB-CB 4.34Å; R55-N57 PolarHBondContact O-N 3.15Å
58E41.6Very low47Very low120 Ų12099.2 Ų99.256%0.56154%0.542SS*.EExtended strand (participates in β ladder)trans-84.5108.8172.3-162.3175.7177.900108.6T49 T51 G56 T60T49-E58 HydrophobicContact CG2-CG 3.18Å; T49-E58 WeakPolarHBondContact CG2-OE1 3.3Å; T51-E58 HydrophobicContact CG2-CG 4.21Å; G56-E58 PolarHBondContact O-N 3.04Å; G56-E58 VanDerWaalsContact O-N 3.12Å; E58-T60 HydrophobicContact CG-CG2 4.05Å; E58-T60 PolarHBondContact O-N 3.36Å
59V53.6Low48.2Very low51 Ų5196.8 Ų96.831%0.30953%0.525SS..EExtended strand (participates in β ladder)trans-89.598.7166.1-177.60000106.2L50 V61L50-V59 HydrophobicContact CB-CB 4.46Å; L50-V59 PolarHBondContact N-O 3.23Å; L50-V59 PolarHBondContact O-N 2.84Å; L50-V59 VanDerWaalsContact O-N 3.16Å; V59-V61 PolarHBondContact O-N 2.78Å
60T44.7Very low50.1Low101 Ų10196.8 Ų96.862%0.6253%0.527SS*.  trans-71.6115.4173.150.30000108.6E58E58-T60 HydrophobicContact CG-CG2 4.05Å; E58-T60 PolarHBondContact O-N 3.36Å
61V52.3Low51.8Low31 Ų3196.3 Ų96.319%0.18852%0.524CS..  trans-92.7127-178.2-172.30000108.2T48 V59T48-V61 VanDerWaalsContact O-CG2 3.3Å; T48-V61 WeakPolarHBondContact O-CG2 3.4Å; V59-V61 PolarHBondContact O-N 2.78Å
62R40.3Very low53.8Low231 Ų23193.1 Ų93.187%0.87250%0.504SS*.  trans-74.8128.8163.8-70.5-173.1176.7-165.7-0.8108A64R62-A64 PolarHBondContact O-N 2.68Å
63P41.7Very low55.6Low110 Ų11094.8 Ų94.871%0.71451%0.512SS*.  trans-77.794.6-177.831.4-30.4000108.4
64A42.2Very low57.5Low67 Ų6785.4 Ų85.455%0.55447%0.471SS*.  trans-107.979.9165.800000108R62 S68R62-A64 PolarHBondContact O-N 2.68Å; A64-S68 PolarHBondContact O-OG 3.47Å
65T42.2Very low59.6Low105 Ų10579.1 Ų79.164%0.64444%0.441SS*.  trans59.9135.2167.960.90000115.7D67 S68T65-D67 PolarHBondContact O-N 3.33Å; T65-S68 PolarHBondContact O-N 3.06Å
66L43.7Very low61.8Low174 Ų17474 Ų7491%0.91142%0.423SS*.THydrogen-bonded Turntrans-57.2-8.1177.2-85.5102.8000114.3
67D47.6Very low63.9Low157 Ų15774.4 Ų74.484%0.8441%0.407SS*.THydrogen-bonded Turntrans-91.94.4-177.6-70.3-24.3000115.9T65T65-D67 PolarHBondContact O-N 3.33Å
68S61.8Low65.9Low76 Ų7671.2 Ų71.253%0.53140%0.395SS..  trans-141.939.8179.774.40000116.4A64 T65 S70A64-S68 PolarHBondContact O-OG 3.47Å; T65-S68 PolarHBondContact O-N 3.06Å; S68-S70 PolarHBondContact O-N 3.42Å
69L71.1Confident68.2Low52 Ų5267.8 Ų67.827%0.27238%0.38SS..  trans-59.3127.9163.1-73.3169.4000109Q73 L74L69-Q73 HydrophobicContact CB-CB 4.44Å; L69-Q73 HydrophobicContact CD2-CB 4.12Å; L69-L74 HydrophobicContact CB-CD2 3.82Å; L69-L74 HydrophobicContact CB-CG 3.96Å; L69-L74 HydrophobicContact CD1-CD2 3.87Å
70S86.3Confident70Confident47 Ų4767.4 Ų67.433%0.32938%0.378SS..  trans-65.1155176.8780000110.1S68 H72 Q73 L74S68-S70 PolarHBondContact O-N 3.42Å; S70-H72 PolarHBondContact O-N 3.18Å; S70-H72 VanDerWaalsContact O-N 3.1Å; S70-Q73 WeakPolarHBondContact O-CB 3.35Å; S70-Q73 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.46Å; S70-L74 PolarHBondContact O-N 2.99Å
71I88.9Confident72.2Confident18 Ų1867.1 Ų67.19%0.09238%0.38CS..Hα-helixtrans-54.8-32.3176.1-170.167.6000112A75 V83 H86 V93 P104I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.25Å; I71-V83 HydrophobicContact CD1-CB 4.25Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CD1-CG2 4.08Å; I71-H86 HydrophobicContact CD1-CB 3.74Å; I71-V93 HydrophobicContact CD1-CG2 4.43Å; I71-V93 HydrophobicContact CG1-CB 4.21Å; I71-V93 HydrophobicContact CG1-CG2 4.35Å; I71-P104 HydrophobicContact CG1-CB 4.42Å; I71-P104 HydrophobicContact CG1-CG 3.97Å; I71-P104 HydrophobicContact CG2-CG 4Å
72H90.4Very high73.8Confident13 Ų1369.7 Ų69.76%0.0639%0.39CS..Hα-helixtrans-64.4-44.3174.8-50.791.9000112.3S70 A75 A76 T96 D98 F102 W107S70-H72 PolarHBondContact O-N 3.18Å; S70-H72 VanDerWaalsContact O-N 3.1Å; H72-A75 PolarHBondContact O-N 3.09Å; H72-A76 WeakPolarHBondContact O-CB 3.41Å; H72-A76 PolarHBondContact O-N 3.29Å; H72-T96 PolarHBondContact NE2-O 2.96Å; H72-D98 PolarHBondContact NE2-N 2.91Å; H72-F102 PolarHBondContact CD2-O 2.97Å; H72-F102 PolarHBondContact NE2-O 2.79Å; H72-F102 VanDerWaalsContact NE2-O 3.16Å; H72-W107 HydrophobicContact CB-CD2 4.24Å; H72-W107 HydrophobicContact CB-CG 3.95Å; H72-W107 AromaticContact CD2-CD1 3.8Å; H72-W107 WeakPolarHBondContact O-CB 3.27Å
73Q87.3Confident76.2Confident43 Ų4358.7 Ų58.720%0.20135%0.349CS..Hα-helixtrans-68.5-41.5177.6-70.2170.6-31.200111.6L69 S70 A75 A76 Q77L69-Q73 HydrophobicContact CB-CB 4.44Å; L69-Q73 HydrophobicContact CD2-CB 4.12Å; S70-Q73 WeakPolarHBondContact O-CB 3.35Å; S70-Q73 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.46Å; Q73-A75 VanDerWaalsContact C-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.48Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.17Å; Q73-Q77 VanDerWaalsContact O-CG 3.32Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.93Å
74L90.8Very high78.5Confident1 Ų154.7 Ų54.71%0.00533%0.325CS..Hα-helixtrans-61.2-41.1174.9-66.9174000111.3L69 S70 A76 Q77 G78 D79 Q82 V83L69-L74 HydrophobicContact CB-CD2 3.82Å; L69-L74 HydrophobicContact CB-CG 3.96Å; L69-L74 HydrophobicContact CD1-CD2 3.87Å; S70-L74 PolarHBondContact O-N 2.99Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-Q77 PolarHBondContact O-N 3.47Å; L74-G78 PolarHBondContact O-N 3.29Å; L74-G78 VanDerWaalsContact O-N 3.17Å; L74-D79 PolarHBondContact O-N 2.89Å; L74-Q82 HydrophobicContact CD1-CB 4.04Å; L74-Q82 HydrophobicContact CD2-CB 4.1Å; L74-V83 HydrophobicContact CB-CG2 3.58Å
75A91.5Very high80.8Confident0 Ų053.7 Ų53.70%032%0.316CS..Hα-helixtrans-64.8-37.6174.300000112.5I71 H72 Q73 Q77 G78 P104 A108 M116 L120I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 3.25Å; H72-A75 PolarHBondContact O-N 3.09Å; Q73-A75 VanDerWaalsContact C-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.48Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.98Å; A75-G78 PolarHBondContact O-N 3.49Å; A75-P104 HydrophobicContact CB-CB 3.8Å; A75-P104 VanDerWaalsContact CB-O 3.32Å; A75-P104 WeakPolarHBondContact CB-O 3.43Å; A75-A108 HydrophobicContact CB-CB 4.41Å; A75-M116 HydrophobicContact CB-CG 4.16Å; A75-L120 HydrophobicContact CB-CD1 4.38Å
76A90.6Very high83Confident3 Ų352.3 Ų52.33%0.02530%0.303CS..Hα-helixtrans-68.9-27.3175.600000113.7H72 Q73 L74 W107 F111 E113H72-A76 WeakPolarHBondContact O-CB 3.41Å; H72-A76 PolarHBondContact O-N 3.29Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.17Å; L74-A76 VanDerWaalsContact C-N 3.34Å; A76-W107 HydrophobicContact CB-CB 4.28Å; A76-W107 HydrophobicContact CB-CD2 4.47Å; A76-W107 HydrophobicContact CB-CE3 3.67Å; A76-W107 HydrophobicContact CB-CZ3 4.41Å; A76-F111 HydrophobicContact CB-CD1 4.45Å; A76-F111 HydrophobicContact CB-CD2 3.83Å; A76-F111 HydrophobicContact CB-CE2 4.07Å; A76-F111 HydrophobicContact CB-CG 4.04Å; A76-F111 HydrophobicContact CB-CZ 4.48Å; A76-E113 WeakPolarHBondContact O-CG 3.22Å
77Q88.1Confident85.2Confident74 Ų7444.8 Ų44.835%0.34626%0.264SS..Hα-helixtrans-86.1-11.8177.3-71.917614.400113.3L50 Q73 L74 A75 D79L50-Q77 HydrophobicContact CD1-CG 4.5Å; L50-Q77 HydrophobicContact CD2-CG 3.74Å; Q73-Q77 VanDerWaalsContact O-CG 3.32Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.93Å; L74-Q77 PolarHBondContact O-N 3.47Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.98Å; Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.06Å
78G88.3Confident87.2Confident21 Ų2142.1 Ų42.122%0.21626%0.257CS..THydrogen-bonded Turntrans74.816.2-177.500000114.4L74 A75 V80 M116L74-G78 PolarHBondContact O-N 3.29Å; L74-G78 VanDerWaalsContact O-N 3.17Å; A75-G78 PolarHBondContact O-N 3.49Å; G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 3.31Å; G78-M116 VanDerWaalsContact C-CE 3.48Å
79D88.5Confident88.5Confident48 Ų4847 Ų4726%0.25727%0.269SS..  trans-77.780.7178.5-167.6-23.8000111.5L74 Q77 S81 Q82 V83 M116L74-D79 PolarHBondContact O-N 2.89Å; Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.06Å; D79-S81 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact OD1-N 3.34Å; D79-Q82 HydrophobicContact CB-CB 4.44Å; D79-Q82 PolarHBondContact O-N 2.84Å; D79-Q82 PolarHBondContact OD1-N 3.44Å; D79-Q82 VanDerWaalsContact OD1-N 3.07Å; D79-Q82 VanDerWaalsContact OD2-CD 3.32Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.48Å; D79-Q82 PolarHBondContact OD2-NE2 3.35Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.41Å; D79-V83 VanDerWaalsContact O-N 3.08Å; D79-M116 WeakPolarHBondContact O-CE 3.35Å
80V91.8Very high89.4Confident43 Ų4348.1 Ų48.126%0.26128%0.275SS..Hα-helixtrans-59.9-32.1-178.4-179.80000111.7G78 A84 M116 F119G78-V80 VanDerWaalsContact C-N 3.32Å; G78-V80 PolarHBondContact O-N 3.31Å; V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.3Å; V80-M116 VanDerWaalsContact CA-CE 3.45Å; V80-M116 HydrophobicContact CB-CE 4.2Å; V80-M116 HydrophobicContact CG2-CE 3.73Å; V80-M116 HydrophobicContact CG2-SD 4.28Å; V80-M116 VanDerWaalsContact N-CE 3.28Å; V80-F119 HydrophobicContact CG1-CB 4.19Å; V80-F119 HydrophobicContact CG1-CD1 4.19Å; V80-F119 HydrophobicContact CG1-CD2 3.73Å; V80-F119 HydrophobicContact CG1-CE2 4.14Å; V80-F119 HydrophobicContact CG1-CG 3.75Å
81S90.3Very high89.4Confident96 Ų9650 Ų5067%0.67129%0.288SS*.Hα-helixtrans-68.1-45.9-176.8-600000111.1D79 A85D79-S81 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact OD1-N 3.34Å; S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.11Å
82Q87.6Confident89.5Confident85 Ų8551.7 Ų51.740%0.39730%0.302SS..Hα-helixtrans-68.2-48176.5-68.4-168.94900111.2L74 D79 A84 A85 H86L74-Q82 HydrophobicContact CD1-CB 4.04Å; L74-Q82 HydrophobicContact CD2-CB 4.1Å; D79-Q82 HydrophobicContact CB-CB 4.44Å; D79-Q82 PolarHBondContact O-N 2.84Å; D79-Q82 PolarHBondContact OD1-N 3.44Å; D79-Q82 VanDerWaalsContact OD1-N 3.07Å; D79-Q82 VanDerWaalsContact OD2-CD 3.32Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.48Å; D79-Q82 PolarHBondContact OD2-NE2 3.35Å; Q82-A84 VanDerWaalsContact C-N 3.25Å; Q82-A84 PolarHBondContact O-N 2.91Å; Q82-A85 WeakPolarHBondContact O-CB 3.31Å; Q82-A85 PolarHBondContact O-N 3.36Å; Q82-H86 PolarHBondContact O-CD2 3.28Å; Q82-H86 VanDerWaalsContact O-CD2 3.25Å; Q82-H86 PolarHBondContact O-N 3.3Å
83V89.7Confident89.4Confident0 Ų051.9 Ų51.90%030%0.304CS..Hα-helixtrans-56.9-41.5177.3175.70000110.9I71 L74 D79 A85 H86 V87 M116 F119 L120I71-V83 HydrophobicContact CD1-CB 4.25Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CD1-CG2 4.08Å; L74-V83 HydrophobicContact CB-CG2 3.58Å; D79-V83 WeakPolarHBondContact O-CG2 3.32Å; D79-V83 PolarHBondContact O-N 3.41Å; D79-V83 VanDerWaalsContact O-N 3.08Å; V83-A85 PolarHBondContact O-N 2.92Å; V83-H86 PolarHBondContact O-N 3.23Å; V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 VanDerWaalsContact O-CG2 3.25Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.2Å; V83-M116 HydrophobicContact CB-CE 3.92Å; V83-M116 HydrophobicContact CB-SD 3.93Å; V83-M116 HydrophobicContact CG1-CE 4.49Å; V83-M116 HydrophobicContact CG1-SD 3.84Å; V83-M116 HydrophobicContact CG2-CE 3.51Å; V83-M116 HydrophobicContact CG2-SD 3.86Å; V83-F119 HydrophobicContact CG1-CD1 4.39Å; V83-F119 HydrophobicContact CG1-CE1 3.99Å; V83-L120 HydrophobicContact CG1-CD2 3.98Å
84A90.8Very high89.5Confident25 Ų2550.4 Ų50.421%0.20730%0.297CS..Hα-helixtrans-63.2-38.8176.400000113.2V80 Q82 H86 V87 S88 F119V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.3Å; Q82-A84 VanDerWaalsContact C-N 3.25Å; Q82-A84 PolarHBondContact O-N 2.91Å; A84-H86 VanDerWaalsContact C-N 3.33Å; A84-V87 PolarHBondContact O-N 3.1Å; A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.23Å; A84-S88 PolarHBondContact O-OG 3.41Å; A84-F119 HydrophobicContact CB-CE1 4.26Å; A84-F119 HydrophobicContact CB-CE2 3.98Å; A84-F119 HydrophobicContact CB-CZ 3.47Å; A84-F119 VanDerWaalsContact CB-CZ 3.47Å
85A89.9Confident89.5Confident46 Ų4654.7 Ų54.738%0.3832%0.324SS..Hα-helixtrans-64.9-37.9175.300000111.8S81 Q82 V83 K89S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.11Å; Q82-A85 WeakPolarHBondContact O-CB 3.31Å; Q82-A85 PolarHBondContact O-N 3.36Å; V83-A85 PolarHBondContact O-N 2.92Å; A85-K89 WeakPolarHBondContact O-CG 3.23Å; A85-K89 PolarHBondContact O-N 3.36Å
86H87.6Confident89.5Confident77 Ų7757.3 Ų57.336%0.35634%0.34SS..Hα-helixtrans-67.8-49.2174.3-80.3-93.6000111.9I71 Q82 V83 A84 S88 K89 D90I71-H86 HydrophobicContact CD1-CB 3.74Å; Q82-H86 PolarHBondContact O-CD2 3.28Å; Q82-H86 VanDerWaalsContact O-CD2 3.25Å; Q82-H86 PolarHBondContact O-N 3.3Å; V83-H86 PolarHBondContact O-N 3.23Å; A84-H86 VanDerWaalsContact C-N 3.33Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 2.84Å; H86-K89 PolarHBondContact O-N 3.13Å; H86-K89 VanDerWaalsContact O-N 3.08Å; H86-D90 PolarHBondContact O-N 3.23Å
87V90.4Very high89.6Confident15 Ų1562.2 Ų62.29%0.09136%0.362CS..Hα-helixtrans-61.5-33.5179.1173.50000112.1V83 A84 K89 D90 V93 L94 K123V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 VanDerWaalsContact O-CG2 3.25Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.2Å; A84-V87 PolarHBondContact O-N 3.1Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-D90 CarbonylContact O-C 3.41Å; V87-V93 HydrophobicContact CB-CG2 4.28Å; V87-V93 HydrophobicContact CG2-CG2 3.58Å; V87-L94 HydrophobicContact CG1-CD1 4.24Å; V87-L94 HydrophobicContact CG1-CD2 4.16Å; V87-L94 HydrophobicContact CG1-CG 4.26Å; V87-L94 HydrophobicContact CG2-CD2 3.65Å; V87-L94 HydrophobicContact CG2-CG 4.24Å; V87-K123 HydrophobicContact CG1-CB 4.3Å; V87-K123 HydrophobicContact CG1-CD 4.4Å; V87-K123 HydrophobicContact CG1-CG 4.25Å
88S90.1Very high89.7Confident101 Ų10160.3 Ų60.371%0.70635%0.354SS*.Hα-helixtrans-71.5-27.1177.5-58.10000113.1A84 H86A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.23Å; A84-S88 PolarHBondContact O-OG 3.41Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 2.84Å
89K89.8Confident89.7Confident178 Ų17866 Ų6677%0.77438%0.38SS*.Hα-helixtrans-83.3-41.1176.3-70.9172.7-177.3176.40111.4A85 H86 V87A85-K89 WeakPolarHBondContact O-CG 3.23Å; A85-K89 PolarHBondContact O-N 3.36Å; H86-K89 PolarHBondContact O-N 3.13Å; H86-K89 VanDerWaalsContact O-N 3.08Å; V87-K89 VanDerWaalsContact C-N 3.33Å
90D88.1Confident89.7Confident76 Ų7670.2 Ų70.241%0.40639%0.392SS..  trans-145.4112.6-177.4-177.41.4000109.6H86 V87 S92 V93H86-D90 PolarHBondContact O-N 3.23Å; V87-D90 CarbonylContact O-C 3.41Å; D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 2.95Å; D90-S92 WeakPolarHBondContact OD1-CB 3.49Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.36Å; D90-V93 HydrophobicContact CB-CG1 4.08Å; D90-V93 WeakPolarHBondContact O-CG1 3.32Å; D90-V93 WeakPolarHBondContact O-CG2 3.39Å
91S88Confident89.7Confident86 Ų8668.3 Ų68.360%0.60138%0.381SS*.G310 helixtrans-74.7-15.7178.158.40000113V93 L94S91-V93 PolarHBondContact O-N 2.96Å; S91-L94 PolarHBondContact O-N 3.29Å
92S89.8Confident89.9Confident54 Ų5464 Ų6438%0.37835%0.35SS..G310 helixtrans-64.7-23.4179.477.10000112.2D90 L94 T95 T96D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 2.95Å; D90-S92 WeakPolarHBondContact OD1-CB 3.49Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.36Å; S92-L94 PolarHBondContact O-N 3.02Å; S92-T95 PolarHBondContact O-N 3.19Å; S92-T95 PolarHBondContact O-OG1 2.92Å; S92-T96 PolarHBondContact O-N 2.94Å; S92-T96 PolarHBondContact O-OG1 3.01Å
93V88.8Confident90.2Very high17 Ų1760.3 Ų60.310%0.10333%0.333CS..G310 helixtrans-57.2-25.7178.6-53.70000113.3I71 V87 D90 S91 T95 T96 P104I71-V93 HydrophobicContact CD1-CG2 4.43Å; I71-V93 HydrophobicContact CG1-CB 4.21Å; I71-V93 HydrophobicContact CG1-CG2 4.35Å; V87-V93 HydrophobicContact CB-CG2 4.28Å; V87-V93 HydrophobicContact CG2-CG2 3.58Å; D90-V93 HydrophobicContact CB-CG1 4.08Å; D90-V93 WeakPolarHBondContact O-CG1 3.32Å; D90-V93 WeakPolarHBondContact O-CG2 3.39Å; S91-V93 PolarHBondContact O-N 2.96Å; V93-T95 PolarHBondContact O-N 3.43Å; V93-T96 WeakPolarHBondContact CA-OG1 3.24Å; V93-T96 PolarHBondContact O-N 3.2Å; V93-P104 WeakPolarHBondContact O-CG 3.49Å
94L89.6Confident90.5Very high12 Ų1260.3 Ų60.36%0.06333%0.334CS..G310 helixtrans-65.2-28.5176.6-63173.9000112.5V87 S91 S92 L120 K123 A125V87-L94 HydrophobicContact CG1-CD1 4.24Å; V87-L94 HydrophobicContact CG1-CD2 4.16Å; V87-L94 HydrophobicContact CG1-CG 4.26Å; V87-L94 HydrophobicContact CG2-CD2 3.65Å; V87-L94 HydrophobicContact CG2-CG 4.24Å; S91-L94 PolarHBondContact O-N 3.29Å; S92-L94 PolarHBondContact O-N 3.02Å; L94-L120 HydrophobicContact CD2-CD2 3.65Å; L94-K123 HydrophobicContact CD1-CB 3.99Å; L94-K123 WeakPolarHBondContact CD1-O 3.44Å; L94-K123 HydrophobicContact CD2-CB 4.09Å; L94-A125 HydrophobicContact CB-CB 4.45Å; L94-A125 HydrophobicContact CD2-CB 4.46Å
95T91.4Very high90.8Very high91 Ų9159.2 Ų59.256%0.55832%0.324SS*.THydrogen-bonded Turntrans-103.4-5.8-17961.20000113.1S92 V93 Q97S92-T95 PolarHBondContact O-N 3.19Å; S92-T95 PolarHBondContact O-OG1 2.92Å; V93-T95 PolarHBondContact O-N 3.43Å; T95-Q97 PolarHBondContact O-N 3.5Å
96T90.9Very high91.1Very high56 Ų5657.1 Ų57.134%0.34431%0.306SS..  trans-64.1124.9-177.3-600000111H72 S92 V93 P104H72-T96 PolarHBondContact NE2-O 2.96Å; S92-T96 PolarHBondContact O-N 2.94Å; S92-T96 PolarHBondContact O-OG1 3.01Å; V93-T96 WeakPolarHBondContact CA-OG1 3.24Å; V93-T96 PolarHBondContact O-N 3.2Å; T96-P104 WeakPolarHBondContact O-CD 3.34Å
97Q92.3Very high91.5Very high106 Ų10655.1 Ų55.150%0.49530%0.296SS..  trans-97.8141.7176-68.6-176.2-52.600110.9T95 G101 F102 T103 I130T95-Q97 PolarHBondContact O-N 3.5Å; Q97-G101 WeakPolarHBondContact CG-O 3.47Å; Q97-G101 PolarHBondContact NE2-O 3.35Å; Q97-F102 WeakPolarHBondContact CA-O 3.39Å; Q97-T103 HydrophobicContact CG-CG2 4.09Å; Q97-I130 PolarHBondContact NE2-O 2.95Å
98D89.9Confident91.8Very high33 Ų3354.4 Ų54.418%0.17629%0.292CS..  trans-77.6-176.1169.672.18.7000112H72 R100 G101 F102 W107H72-D98 PolarHBondContact NE2-N 2.91Å; D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 WeakPolarHBondContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 PolarHBondContact OD1-N 3.19Å; D98-G101 PolarHBondContact O-N 2.97Å; D98-G101 PolarHBondContact OD1-N 3.06Å; D98-F102 PolarHBondContact N-O 2.88Å; D98-F102 PolarHBondContact OD1-N 3.16Å; D98-W107 PolarHBondContact OD2-NE1 2.97Å
99D89.1Confident92.1Very high141 Ų14149.6 Ų49.675%0.75426%0.258SS*.THydrogen-bonded Turntrans-60.6-13178.8-69.4-28000114.4R132D99-R132 PolarHBondContact O-NE 2.78Å; D99-R132 PolarHBondContact O-NH1 2.89Å; D99-R132 PolarHBondContact O-NH2 2.86Å; D99-R132 VanDerWaalsContact O-NH2 3.13Å
100R87.4Confident92.3Very high137 Ų13741.7 Ų41.752%0.51723%0.226SC..THydrogen-bonded Turntrans-106.7-0.3176.1-65.7168.964-148.1-8.2112D98 F102 R132D98-R100 PolarHBondContact O-N 3.17Å; D98-R100 WeakPolarHBondContact OD1-CA 3.31Å; D98-R100 WeakPolarHBondContact OD1-CB 3.45Å; D98-R100 PolarHBondContact OD1-N 3.19Å; R100-F102 HydrophobicContact CB-CD2 3.56Å; R100-F102 HydrophobicContact CB-CE2 3.54Å; R100-F102 HydrophobicContact CG-CE2 4.44Å; R100-R132 WeakPolarHBondContact O-CB 3.38Å; R100-R132 VanDerWaalsContact O-CG 3.31Å; R100-R132 WeakPolarHBondContact O-CG 3.43Å; R100-R132 PolarHBondContact O-N 3.21Å; R100-R132 VanDerWaalsContact O-N 3.09Å
101G91.7Very high92.6Very high2 Ų240 Ų402%0.02122%0.215CC..SBendtrans90.55.2-17800000114.1Q97 D98 A131Q97-G101 WeakPolarHBondContact CG-O 3.47Å; Q97-G101 PolarHBondContact NE2-O 3.35Å; D98-G101 PolarHBondContact O-N 2.97Å; D98-G101 PolarHBondContact OD1-N 3.06Å; G101-A131 WeakPolarHBondContact O-CA 3.24Å
102F94.2Very high92.9Very high7 Ų736.8 Ų36.83%0.03120%0.196CC..  trans-78.8136.6-177.6-66.6-78.5000112.3H72 Q97 D98 R100 M106 A131 E135 L140H72-F102 PolarHBondContact CD2-O 2.97Å; H72-F102 PolarHBondContact NE2-O 2.79Å; H72-F102 VanDerWaalsContact NE2-O 3.16Å; Q97-F102 WeakPolarHBondContact CA-O 3.39Å; D98-F102 PolarHBondContact N-O 2.88Å; D98-F102 PolarHBondContact OD1-N 3.16Å; R100-F102 HydrophobicContact CB-CD2 3.56Å; R100-F102 HydrophobicContact CB-CE2 3.54Å; R100-F102 HydrophobicContact CG-CE2 4.44Å; F102-M106 HydrophobicContact CB-CB 4.26Å; F102-M106 HydrophobicContact CB-SD 4.19Å; F102-M106 HydrophobicContact CD1-CB 3.74Å; F102-M106 HydrophobicContact CD1-CG 4.26Å; F102-M106 HydrophobicContact CD1-SD 3.63Å; F102-M106 HydrophobicContact CG-CB 4.48Å; F102-M106 HydrophobicContact CG-SD 4.32Å; F102-A131 HydrophobicContact CD1-CB 3.95Å; F102-A131 HydrophobicContact CE1-CB 3.92Å; F102-A131 HydrophobicContact CG-CB 4.35Å; F102-A131 HydrophobicContact CZ-CB 4.23Å; F102-E135 HydrophobicContact CE1-CB 4.06Å; F102-E135 HydrophobicContact CZ-CB 4.47Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.48Å; F102-L140 HydrophobicContact CD1-CD1 3.95Å; F102-L140 HydrophobicContact CE1-CD1 3.73Å; F102-L140 HydrophobicContact CE1-CD2 4.18Å; F102-L140 HydrophobicContact CE1-CG 4.49Å
103T95.6Very high93.2Very high6 Ų637.3 Ų37.34%0.03719%0.192CC..  trans-86.9164.1170.866.30000110.9Q97 L105 M106 W107 A129Q97-T103 HydrophobicContact CG-CG2 4.09Å; T103-L105 PolarHBondContact O-N 2.95Å; T103-M106 HydrophobicContact CG2-CE 4.49Å; T103-M106 HydrophobicContact CG2-SD 4.43Å; T103-M106 PolarHBondContact N-SD 3.43Å; T103-M106 WeakPolarHBondContact O-CB 3.42Å; T103-M106 PolarHBondContact O-N 3.19Å; T103-M106 VanDerWaalsContact O-N 3.09Å; T103-M106 WeakPolarHBondContact OG1-CG 3.27Å; T103-M106 PolarHBondContact OG1-N 3.07Å; T103-W107 PolarHBondContact O-N 3.31Å; T103-W107 VanDerWaalsContact O-N 3.15Å; T103-A129 HydrophobicContact CG2-CB 3.86Å
104P95.3Very high93.5Very high1 Ų138.5 Ų38.51%0.00620%0.196CC..Hα-helixtrans-56-35.7173.2-25.535.3000112.6I71 A75 V93 T96 M106 W107 A108 L120I71-P104 HydrophobicContact CG1-CB 4.42Å; I71-P104 HydrophobicContact CG1-CG 3.97Å; I71-P104 HydrophobicContact CG2-CG 4Å; A75-P104 HydrophobicContact CB-CB 3.8Å; A75-P104 VanDerWaalsContact CB-O 3.32Å; A75-P104 WeakPolarHBondContact CB-O 3.43Å; V93-P104 WeakPolarHBondContact O-CG 3.49Å; T96-P104 WeakPolarHBondContact O-CD 3.34Å; P104-M106 VanDerWaalsContact C-N 3.34Å; P104-M106 PolarHBondContact O-N 3.48Å; P104-W107 PolarHBondContact O-N 3.37Å; P104-A108 PolarHBondContact O-N 3.07Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.39Å
105L97.3Very high93.8Very high2 Ų241.2 Ų41.21%0.0122%0.22CC..Hα-helixtrans-62.4-41.5177.1178.964.2000111.7T103 A108 A109 V117 L120 L121 A125 P127 A137 L153T103-L105 PolarHBondContact O-N 2.95Å; L105-A108 PolarHBondContact O-N 2.88Å; L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.33Å; L105-A109 PolarHBondContact O-N 3.07Å; L105-V117 HydrophobicContact CD1-CB 4.35Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.32Å; L105-L120 HydrophobicContact CB-CD1 4.29Å; L105-L120 HydrophobicContact CD1-CB 4.18Å; L105-L121 HydrophobicContact CD1-CD2 4.16Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å; L105-A125 HydrophobicContact CB-CB 4.34Å; L105-A125 HydrophobicContact CD2-CB 4.31Å; L105-P127 HydrophobicContact CD2-CB 4.16Å; L105-A137 HydrophobicContact CD2-CB 4.42Å; L105-A137 HydrophobicContact CG-CB 4.19Å; L105-L153 HydrophobicContact CD1-CD2 4.49Å; L105-L153 HydrophobicContact CD2-CD2 4.4Å
106M96.8Very high94Very high1 Ų136.9 Ų36.91%0.00519%0.193CC..Hα-helixtrans-66-39.8176.5-70.1168.8-179.400112.4F102 T103 P104 A109 A110 A129 A131 A137 L140F102-M106 HydrophobicContact CB-CB 4.26Å; F102-M106 HydrophobicContact CB-SD 4.19Å; F102-M106 HydrophobicContact CD1-CB 3.74Å; F102-M106 HydrophobicContact CD1-CG 4.26Å; F102-M106 HydrophobicContact CD1-SD 3.63Å; F102-M106 HydrophobicContact CG-CB 4.48Å; F102-M106 HydrophobicContact CG-SD 4.32Å; T103-M106 HydrophobicContact CG2-CE 4.49Å; T103-M106 HydrophobicContact CG2-SD 4.43Å; T103-M106 PolarHBondContact N-SD 3.43Å; T103-M106 WeakPolarHBondContact O-CB 3.42Å; T103-M106 PolarHBondContact O-N 3.19Å; T103-M106 VanDerWaalsContact O-N 3.09Å; T103-M106 WeakPolarHBondContact OG1-CG 3.27Å; T103-M106 PolarHBondContact OG1-N 3.07Å; P104-M106 VanDerWaalsContact C-N 3.34Å; P104-M106 PolarHBondContact O-N 3.48Å; M106-A109 PolarHBondContact O-N 2.99Å; M106-A110 VanDerWaalsContact O-CB 3.26Å; M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.33Å; M106-A129 HydrophobicContact CE-CB 3.94Å; M106-A129 WeakPolarHBondContact CE-O 3.45Å; M106-A131 HydrophobicContact CE-CB 4.49Å; M106-A131 HydrophobicContact SD-CB 4.12Å; M106-A137 HydrophobicContact CG-CB 4.22Å; M106-L140 HydrophobicContact CB-CD1 3.61Å; M106-L140 HydrophobicContact CG-CD1 4.08Å; M106-L140 WeakPolarHBondContact O-CD1 3.13Å
107W95.1Very high94.4Very high36 Ų3634.2 Ų34.214%0.13618%0.177CC..Hα-helixtrans-63.1-47.9174.6-83.989.5000111.4H72 A76 D98 T103 P104 A109 A110 F111H72-W107 HydrophobicContact CB-CD2 4.24Å; H72-W107 HydrophobicContact CB-CG 3.95Å; H72-W107 AromaticContact CD2-CD1 3.8Å; H72-W107 WeakPolarHBondContact O-CB 3.27Å; A76-W107 HydrophobicContact CB-CB 4.28Å; A76-W107 HydrophobicContact CB-CD2 4.47Å; A76-W107 HydrophobicContact CB-CE3 3.67Å; A76-W107 HydrophobicContact CB-CZ3 4.41Å; D98-W107 PolarHBondContact OD2-NE1 2.97Å; T103-W107 PolarHBondContact O-N 3.31Å; T103-W107 VanDerWaalsContact O-N 3.15Å; P104-W107 PolarHBondContact O-N 3.37Å; W107-A109 VanDerWaalsContact C-N 3.32Å; W107-A109 PolarHBondContact O-N 3.33Å; W107-A110 PolarHBondContact O-N 3.05Å; W107-F111 HydrophobicContact CE3-CD2 4.05Å; W107-F111 AromaticContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CE2 3.41Å; W107-F111 VanDerWaalsContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CZ 4.19Å; W107-F111 AromaticContact CZ3-CE2 3.56Å; W107-F111 HydrophobicContact CZ3-CE2 3.56Å; W107-F111 AromaticContact CZ3-CZ 3.94Å; W107-F111 HydrophobicContact CZ3-CZ 3.94Å; W107-F111 VanDerWaalsContact O-CD2 3.29Å; W107-F111 WeakPolarHBondContact O-CD2 3.4Å; W107-F111 PolarHBondContact O-N 3.41Å; W107-F111 VanDerWaalsContact O-N 3.16Å
108A96.1Very high94.6Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-58.3-44.5175.200000111.9A75 P104 L105 A110 F111 G112 E113 M116 V117 L120A75-A108 HydrophobicContact CB-CB 4.41Å; P104-A108 PolarHBondContact O-N 3.07Å; L105-A108 PolarHBondContact O-N 2.88Å; A108-A110 PolarHBondContact O-N 2.97Å; A108-F111 PolarHBondContact O-N 3.17Å; A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.12Å; A108-E113 HydrophobicContact CB-CB 4.32Å; A108-E113 PolarHBondContact O-N 2.89Å; A108-M116 HydrophobicContact CB-CB 3.98Å; A108-M116 HydrophobicContact CB-CG 3.65Å; A108-V117 HydrophobicContact CB-CG2 3.75Å; A108-L120 HydrophobicContact CB-CD1 4.21Å
109A96.7Very high94.9Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-64.3-39.2177.800000113L105 M106 W107 F111 V117 A137 A141 Y146 I149L105-A109 VanDerWaalsContact O-CB 3.27Å; L105-A109 WeakPolarHBondContact O-CB 3.33Å; L105-A109 PolarHBondContact O-N 3.07Å; M106-A109 PolarHBondContact O-N 2.99Å; W107-A109 VanDerWaalsContact C-N 3.32Å; W107-A109 PolarHBondContact O-N 3.33Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.02Å; A109-V117 HydrophobicContact CB-CG2 4.32Å; A109-A137 HydrophobicContact CB-CB 4.07Å; A109-A141 HydrophobicContact CB-CB 4.33Å; A109-Y146 VanDerWaalsContact O-CD2 3.26Å; A109-Y146 WeakPolarHBondContact O-CD2 3.36Å; A109-I149 HydrophobicContact CB-CG2 4.09Å
110A95.1Very high95.2Very high12 Ų1224.3 Ų24.310%0.09913%0.126CC..Hα-helixtrans-69.8-26179.500000113.4N52 M106 W107 A108 L140 Y146N52-A110 PolarHBondContact ND2-O 3.41Å; M106-A110 VanDerWaalsContact O-CB 3.26Å; M106-A110 WeakPolarHBondContact O-CB 3.44Å; M106-A110 PolarHBondContact O-N 3.33Å; W107-A110 PolarHBondContact O-N 3.05Å; A108-A110 PolarHBondContact O-N 2.97Å; A110-L140 HydrophobicContact CB-CB 4.04Å; A110-L140 HydrophobicContact CB-CD1 4.25Å; A110-L140 HydrophobicContact CB-CD2 4.3Å; A110-L140 HydrophobicContact CB-CG 4.43Å; A110-Y146 WeakPolarHBondContact O-CE2 3.47Å
111F93.1Very high95.7Very high39 Ų3918.3 Ų18.317%0.17110%0.104CC..Hα-helixtrans-99.9-7.4-178.2-79.4-101000113.8N52 A76 W107 A108 A109 E113 Y146N52-F111 HydrophobicContact CB-CD1 4.18Å; N52-F111 HydrophobicContact CB-CE1 3.89Å; N52-F111 HydrophobicContact CB-CZ 4.38Å; A76-F111 HydrophobicContact CB-CD1 4.45Å; A76-F111 HydrophobicContact CB-CD2 3.83Å; A76-F111 HydrophobicContact CB-CE2 4.07Å; A76-F111 HydrophobicContact CB-CG 4.04Å; A76-F111 HydrophobicContact CB-CZ 4.48Å; W107-F111 HydrophobicContact CE3-CD2 4.05Å; W107-F111 AromaticContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CE2 3.41Å; W107-F111 VanDerWaalsContact CE3-CE2 3.41Å; W107-F111 HydrophobicContact CE3-CZ 4.19Å; W107-F111 AromaticContact CZ3-CE2 3.56Å; W107-F111 HydrophobicContact CZ3-CE2 3.56Å; W107-F111 AromaticContact CZ3-CZ 3.94Å; W107-F111 HydrophobicContact CZ3-CZ 3.94Å; W107-F111 VanDerWaalsContact O-CD2 3.29Å; W107-F111 WeakPolarHBondContact O-CD2 3.4Å; W107-F111 PolarHBondContact O-N 3.41Å; W107-F111 VanDerWaalsContact O-N 3.16Å; A108-F111 PolarHBondContact O-N 3.17Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.02Å; F111-E113 HydrophobicContact CB-CG 4.28Å; F111-Y146 PolarHBondContact O-OH 3.16Å
112G94.1Very high95.9Very high20 Ų2025.7 Ų25.721%0.20614%0.138CC..THydrogen-bonded Turntrans85.319.2178.500000113.7A108 K114 Y146 I149A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.12Å; G112-K114 VanDerWaalsContact C-N 3.31Å; G112-K114 PolarHBondContact O-N 2.88Å; G112-Y146 VanDerWaalsContact N-CE2 3.35Å; G112-I149 VanDerWaalsContact C-CD1 3.46Å; G112-I149 VanDerWaalsContact CA-CD1 3.5Å
113E96.3Very high95.9Very high65 Ų6530.4 Ų30.430%0.30416%0.159SC..  trans-82.476.1-176.3-65.2-56.5148.800111.2A76 A108 F111 A115 M116 V117A76-E113 WeakPolarHBondContact O-CG 3.22Å; A108-E113 HydrophobicContact CB-CB 4.32Å; A108-E113 PolarHBondContact O-N 2.89Å; F111-E113 HydrophobicContact CB-CG 4.28Å; E113-A115 PolarHBondContact O-N 2.86Å; E113-M116 HydrophobicContact CB-CB 3.87Å; E113-M116 WeakPolarHBondContact O-CB 3.4Å; E113-M116 PolarHBondContact O-N 3.36Å; E113-M116 VanDerWaalsContact O-N 3.1Å; E113-V117 PolarHBondContact O-N 2.91Å
114K95.7Very high95.8Very high42 Ų4232.9 Ų32.918%0.18319%0.185CC..Hα-helixtrans-54.7-48.3-174.7174.659.1177.8162.50113.8G112 M116 V117 D118 D148 I149 S152G112-K114 VanDerWaalsContact C-N 3.31Å; G112-K114 PolarHBondContact O-N 2.88Å; K114-M116 PolarHBondContact O-N 3.39Å; K114-V117 PolarHBondContact O-N 3.36Å; K114-D118 WeakPolarHBondContact CE-OD2 3.36Å; K114-D118 VanDerWaalsContact NZ-CG 3.28Å; K114-D118 IonicContact NZ-OD1 2.78Å; K114-D118 PolarHBondContact NZ-OD1 3.38Å; K114-D118 IonicContact NZ-OD2 2.96Å; K114-D118 PolarHBondContact NZ-OD2 3.01Å; K114-D118 PolarHBondContact O-N 2.93Å; K114-D148 WeakPolarHBondContact CB-OD2 3.44Å; K114-D148 HydrophobicContact CD-CB 4.08Å; K114-D148 WeakPolarHBondContact CE-O 3.49Å; K114-D148 VanDerWaalsContact CG-OD2 3.24Å; K114-D148 WeakPolarHBondContact CG-OD2 3.33Å; K114-D148 PolarHBondContact NZ-O 3.35Å; K114-I149 HydrophobicContact CB-CG1 4.15Å; K114-I149 HydrophobicContact CD-CG1 3.89Å; K114-S152 PolarHBondContact NZ-OG 2.99Å
115A96.4Very high95.8Very high68 Ų6833.1 Ų33.156%0.56219%0.187SC*.Hα-helixtrans-62.2-35.7-18000000111.7E113 F119E113-A115 PolarHBondContact O-N 2.86Å; A115-F119 VanDerWaalsContact O-CB 3.29Å; A115-F119 WeakPolarHBondContact O-CB 3.5Å; A115-F119 PolarHBondContact O-N 3.29Å
116M95.9Very high95.7Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-70.8-42.3176.1-175.962.269.400111.9A75 G78 D79 V80 V83 A108 E113 K114 D118 F119 L120A75-M116 HydrophobicContact CB-CG 4.16Å; G78-M116 VanDerWaalsContact C-CE 3.48Å; D79-M116 WeakPolarHBondContact O-CE 3.35Å; V80-M116 VanDerWaalsContact CA-CE 3.45Å; V80-M116 HydrophobicContact CB-CE 4.2Å; V80-M116 HydrophobicContact CG2-CE 3.73Å; V80-M116 HydrophobicContact CG2-SD 4.28Å; V80-M116 VanDerWaalsContact N-CE 3.28Å; V83-M116 HydrophobicContact CB-CE 3.92Å; V83-M116 HydrophobicContact CB-SD 3.93Å; V83-M116 HydrophobicContact CG1-CE 4.49Å; V83-M116 HydrophobicContact CG1-SD 3.84Å; V83-M116 HydrophobicContact CG2-CE 3.51Å; V83-M116 HydrophobicContact CG2-SD 3.86Å; A108-M116 HydrophobicContact CB-CB 3.98Å; A108-M116 HydrophobicContact CB-CG 3.65Å; E113-M116 HydrophobicContact CB-CB 3.87Å; E113-M116 WeakPolarHBondContact O-CB 3.4Å; E113-M116 PolarHBondContact O-N 3.36Å; E113-M116 VanDerWaalsContact O-N 3.1Å; K114-M116 PolarHBondContact O-N 3.39Å; M116-D118 PolarHBondContact O-N 2.85Å; M116-F119 PolarHBondContact O-N 3.31Å; M116-F119 HydrophobicContact SD-CD1 4.24Å; M116-L120 HydrophobicContact CG-CD1 3.85Å; M116-L120 HydrophobicContact CG-CG 4.28Å; M116-L120 WeakPolarHBondContact O-CB 3.49Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.46Å; M116-L120 PolarHBondContact O-N 2.92Å; M116-L120 HydrophobicContact SD-CD1 4.2Å; M116-L120 HydrophobicContact SD-CG 4.12Å
117V97.6Very high95.7Very high0 Ų037.8 Ų37.80%021%0.213CC..Hα-helixtrans-57-51.5175166.90000110.5L105 A108 A109 E113 K114 F119 L120 L121 I149 L153L105-V117 HydrophobicContact CD1-CB 4.35Å; L105-V117 HydrophobicContact CD1-CG1 3.97Å; L105-V117 HydrophobicContact CD1-CG2 4.32Å; A108-V117 HydrophobicContact CB-CG2 3.75Å; A109-V117 HydrophobicContact CB-CG2 4.32Å; E113-V117 PolarHBondContact O-N 2.91Å; K114-V117 PolarHBondContact O-N 3.36Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 3.3Å; V117-L120 PolarHBondContact O-N 3.27Å; V117-L121 HydrophobicContact CG1-CD1 3.66Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 3.33Å; V117-I149 HydrophobicContact CG1-CG2 4.22Å; V117-I149 HydrophobicContact CG2-CD1 4.08Å; V117-I149 HydrophobicContact CG2-CG1 4.29Å; V117-I149 HydrophobicContact CG2-CG2 4.03Å; V117-L153 HydrophobicContact CG1-CD2 4.49Å
118D97Very high95.7Very high44 Ų4440 Ų4024%0.23523%0.228CC..Hα-helixtrans-63.1-42.8-178.7-68.8-14.4000110.9K114 M116 L120 L121 E122 S152K114-D118 WeakPolarHBondContact CE-OD2 3.36Å; K114-D118 VanDerWaalsContact NZ-CG 3.28Å; K114-D118 IonicContact NZ-OD1 2.78Å; K114-D118 PolarHBondContact NZ-OD1 3.38Å; K114-D118 IonicContact NZ-OD2 2.96Å; K114-D118 PolarHBondContact NZ-OD2 3.01Å; K114-D118 PolarHBondContact O-N 2.93Å; M116-D118 PolarHBondContact O-N 2.85Å; D118-L120 PolarHBondContact O-N 3.37Å; D118-L121 PolarHBondContact O-N 3.03Å; D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 VanDerWaalsContact O-CG 3.29Å; D118-E122 WeakPolarHBondContact O-CG 3.37Å; D118-E122 PolarHBondContact O-N 2.9Å; D118-S152 WeakPolarHBondContact OD1-CB 3.38Å; D118-S152 PolarHBondContact OD1-OG 3.46Å
119F96.6Very high95.7Very high28 Ų2840.8 Ų40.812%0.12324%0.235CC..Hα-helixtrans-57.8-48174.1174.5-96.4000112.8V80 V83 A84 A115 M116 V117 L121 E122 K123V80-F119 HydrophobicContact CG1-CB 4.19Å; V80-F119 HydrophobicContact CG1-CD1 4.19Å; V80-F119 HydrophobicContact CG1-CD2 3.73Å; V80-F119 HydrophobicContact CG1-CE2 4.14Å; V80-F119 HydrophobicContact CG1-CG 3.75Å; V83-F119 HydrophobicContact CG1-CD1 4.39Å; V83-F119 HydrophobicContact CG1-CE1 3.99Å; A84-F119 HydrophobicContact CB-CE1 4.26Å; A84-F119 HydrophobicContact CB-CE2 3.98Å; A84-F119 HydrophobicContact CB-CZ 3.47Å; A84-F119 VanDerWaalsContact CB-CZ 3.47Å; A115-F119 VanDerWaalsContact O-CB 3.29Å; A115-F119 WeakPolarHBondContact O-CB 3.5Å; A115-F119 PolarHBondContact O-N 3.29Å; M116-F119 PolarHBondContact O-N 3.31Å; M116-F119 HydrophobicContact SD-CD1 4.24Å; V117-F119 VanDerWaalsContact C-N 3.34Å; V117-F119 PolarHBondContact O-N 3.3Å; F119-L121 PolarHBondContact O-N 2.99Å; F119-E122 PolarHBondContact O-N 2.92Å; F119-K123 HydrophobicContact CD1-CG 4.36Å; F119-K123 HydrophobicContact CD2-CG 4.44Å; F119-K123 HydrophobicContact CE1-CG 3.89Å; F119-K123 HydrophobicContact CE2-CD 4.34Å; F119-K123 HydrophobicContact CE2-CG 4Å; F119-K123 HydrophobicContact CZ-CD 4.21Å; F119-K123 HydrophobicContact CZ-CG 3.68Å; F119-K123 VanDerWaalsContact O-CG 3.29Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.28Å
120L96.3Very high95.6Very high1 Ų144.7 Ų44.71%0.00525%0.254CS..Hα-helixtrans-64.8-40.2-178.8-73.1171000111.6A75 V83 L94 P104 L105 A108 M116 V117 D118 K123 G124 A125A75-L120 HydrophobicContact CB-CD1 4.38Å; V83-L120 HydrophobicContact CG1-CD2 3.98Å; L94-L120 HydrophobicContact CD2-CD2 3.65Å; P104-L120 HydrophobicContact CB-CD1 4.06Å; P104-L120 HydrophobicContact CB-CD2 4.39Å; L105-L120 HydrophobicContact CB-CD1 4.29Å; L105-L120 HydrophobicContact CD1-CB 4.18Å; A108-L120 HydrophobicContact CB-CD1 4.21Å; M116-L120 HydrophobicContact CG-CD1 3.85Å; M116-L120 HydrophobicContact CG-CG 4.28Å; M116-L120 WeakPolarHBondContact O-CB 3.49Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.46Å; M116-L120 PolarHBondContact O-N 2.92Å; M116-L120 HydrophobicContact SD-CD1 4.2Å; M116-L120 HydrophobicContact SD-CG 4.12Å; V117-L120 PolarHBondContact O-N 3.27Å; D118-L120 PolarHBondContact O-N 3.37Å; L120-K123 PolarHBondContact O-N 3.02Å; L120-G124 PolarHBondContact O-N 2.87Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 WeakPolarHBondContact O-CB 3.43Å; L120-A125 PolarHBondContact O-N 3.34Å
121L96.4Very high95.5Very high11 Ų1144.4 Ų44.46%0.05825%0.252CS..Hα-helixtrans-64.2-43.9175.5-67.8168.9000111.4L105 V117 D118 F119 K123 G124 P127 L153 H156L105-L121 HydrophobicContact CD1-CD2 4.16Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å; V117-L121 HydrophobicContact CG1-CD1 3.66Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 3.33Å; D118-L121 PolarHBondContact O-N 3.03Å; F119-L121 PolarHBondContact O-N 2.99Å; L121-K123 PolarHBondContact O-N 3.41Å; L121-G124 PolarHBondContact O-N 3.25Å; L121-P127 HydrophobicContact CD2-CB 3.76Å; L121-P127 HydrophobicContact CD2-CG 4.37Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; L121-L153 HydrophobicContact CD2-CD2 4.41Å; L121-H156 HydrophobicContact CD2-CB 4.5Å
122E95.4Very high95.5Very high157 Ų15749.9 Ų49.973%0.73427%0.272SS*.Hα-helixtrans-61.9-31.7174.8-75.2175.3-174.400112.7D118 F119 G124D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 VanDerWaalsContact O-CG 3.29Å; D118-E122 WeakPolarHBondContact O-CG 3.37Å; D118-E122 PolarHBondContact O-N 2.9Å; F119-E122 PolarHBondContact O-N 2.92Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 2.98Å
123K94.7Very high95.4Very high106 Ų10653.2 Ų53.246%0.46128%0.282SS..THydrogen-bonded Turntrans-79.9-4.1174.6-65.9-59.6177.9-171.80114V87 L94 F119 L120 L121V87-K123 HydrophobicContact CG1-CB 4.3Å; V87-K123 HydrophobicContact CG1-CD 4.4Å; V87-K123 HydrophobicContact CG1-CG 4.25Å; L94-K123 HydrophobicContact CD1-CB 3.99Å; L94-K123 WeakPolarHBondContact CD1-O 3.44Å; L94-K123 HydrophobicContact CD2-CB 4.09Å; F119-K123 HydrophobicContact CD1-CG 4.36Å; F119-K123 HydrophobicContact CD2-CG 4.44Å; F119-K123 HydrophobicContact CE1-CG 3.89Å; F119-K123 HydrophobicContact CE2-CD 4.34Å; F119-K123 HydrophobicContact CE2-CG 4Å; F119-K123 HydrophobicContact CZ-CD 4.21Å; F119-K123 HydrophobicContact CZ-CG 3.68Å; F119-K123 VanDerWaalsContact O-CG 3.29Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.28Å; L120-K123 PolarHBondContact O-N 3.02Å; L121-K123 PolarHBondContact O-N 3.41Å
124G93.9Very high95.4Very high57 Ų5755 Ų5559%0.58829%0.286SS*.THydrogen-bonded Turntrans90.124.8176.700000114.4L120 L121 E122L120-G124 PolarHBondContact O-N 2.87Å; L121-G124 PolarHBondContact O-N 3.25Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 2.98Å
125A95.5Very high95.3Very high6 Ų654.3 Ų54.35%0.0528%0.283CS..  trans-60.1136.6166.500000110.1L94 L105 L120 P127L94-A125 HydrophobicContact CB-CB 4.45Å; L94-A125 HydrophobicContact CD2-CB 4.46Å; L105-A125 HydrophobicContact CB-CB 4.34Å; L105-A125 HydrophobicContact CD2-CB 4.31Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 WeakPolarHBondContact O-CB 3.43Å; L120-A125 PolarHBondContact O-N 3.34Å; A125-P127 VanDerWaalsContact O-CD 3.22Å; A125-P127 WeakPolarHBondContact O-CD 3.49Å
126D95.9Very high95.3Very high82 Ų8251.3 Ų51.344%0.43926%0.258SS..  trans-73.6113.2179.1-179.810.2000110.7N128 A129D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.4Å; D126-N128 PolarHBondContact OD1-N 2.99Å; D126-A129 HydrophobicContact CB-CB 4.46Å; D126-A129 PolarHBondContact O-N 2.96Å
127P95.4Very high95.4Very high19 Ų1951.3 Ų51.312%0.12326%0.258CS..THydrogen-bonded Turntrans-76.1-14.3179.136.7-39.4000113.2L105 L121 A125 L153 H156 V158L105-P127 HydrophobicContact CD2-CB 4.16Å; L121-P127 HydrophobicContact CD2-CB 3.76Å; L121-P127 HydrophobicContact CD2-CG 4.37Å; A125-P127 VanDerWaalsContact O-CD 3.22Å; A125-P127 WeakPolarHBondContact O-CD 3.49Å; P127-L153 HydrophobicContact CB-CD2 4.37Å; P127-H156 HydrophobicContact CB-CB 4.41Å; P127-H156 HydrophobicContact CG-CB 4.07Å; P127-V158 HydrophobicContact CB-CG1 3.55Å; P127-V158 HydrophobicContact CG-CG1 4.08Å; P127-V158 WeakPolarHBondContact O-CG1 3.44Å
128N95.8Very high95.4Very high82 Ų8251.4 Ų51.444%0.43926%0.259SS..THydrogen-bonded Turntrans-931.1178.2-66.9-64.3000113.2D126 V158D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 WeakPolarHBondContact OD1-CB 3.4Å; D126-N128 PolarHBondContact OD1-N 2.99Å; N128-V158 WeakPolarHBondContact OD1-CA 3.43Å
129A95.1Very high95.4Very high18 Ų1849.5 Ų49.515%0.14925%0.249CC..  trans-55.5143.8172.700000110.3T103 M106 D126T103-A129 HydrophobicContact CG2-CB 3.86Å; M106-A129 HydrophobicContact CE-CB 3.94Å; M106-A129 WeakPolarHBondContact CE-O 3.45Å; D126-A129 HydrophobicContact CB-CB 4.46Å; D126-A129 PolarHBondContact O-N 2.96Å
130I95.1Very high95.4Very high81 Ų8148.7 Ų48.742%0.41525%0.246SC..BIsolated β-bridgetrans-124.1139177.456.9174.2000110Q97 R134 E135Q97-I130 PolarHBondContact NE2-O 2.95Å; I130-R134 HydrophobicContact CD1-CG 4.46Å; I130-E135 WeakPolarHBondContact CA-O 3.49Å
131A93.9Very high95.5Very high6 Ų648.6 Ų48.65%0.0525%0.245CC..  trans-76.2-179.9174.200000111.1G101 F102 M106 E133 R134 E135G101-A131 WeakPolarHBondContact O-CA 3.24Å; F102-A131 HydrophobicContact CD1-CB 3.95Å; F102-A131 HydrophobicContact CE1-CB 3.92Å; F102-A131 HydrophobicContact CG-CB 4.35Å; F102-A131 HydrophobicContact CZ-CB 4.23Å; M106-A131 HydrophobicContact CE-CB 4.49Å; M106-A131 HydrophobicContact SD-CB 4.12Å; A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 2.95Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.34Å; A131-E135 HydrophobicContact CB-CB 4.12Å; A131-E135 PolarHBondContact N-O 2.58Å
132R92.8Very high95.5Very high155 Ų15548.1 Ų48.159%0.58524%0.243SC*.THydrogen-bonded Turntrans-58.2-41.8-177.2-72.2-178.6-177.2179.47.5112.8D99 R100 R134 W165D99-R132 PolarHBondContact O-NE 2.78Å; D99-R132 PolarHBondContact O-NH1 2.89Å; D99-R132 PolarHBondContact O-NH2 2.86Å; D99-R132 VanDerWaalsContact O-NH2 3.13Å; R100-R132 WeakPolarHBondContact O-CB 3.38Å; R100-R132 VanDerWaalsContact O-CG 3.31Å; R100-R132 WeakPolarHBondContact O-CG 3.43Å; R100-R132 PolarHBondContact O-N 3.21Å; R100-R132 VanDerWaalsContact O-N 3.09Å; R132-R134 PolarHBondContact O-N 3.01Å; R132-W165 WeakPolarHBondContact O-CZ3 3.36Å
133E92.6Very high95.5Very high90 Ų9042.3 Ų42.342%0.42122%0.219SC..THydrogen-bonded Turntrans-85.617.3177.4-55.9-57.2131.800113.1A131 E135 D164 W165A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 2.95Å; E133-E135 HydrophobicContact CB-CG 4.45Å; E133-E135 PolarHBondContact O-N 3.47Å; E133-D164 WeakPolarHBondContact O-CB 3.13Å; E133-W165 PolarHBondContact O-N 3.17Å
134R94.5Very high95.4Very high102 Ų10237.5 Ų37.539%0.38520%0.2SC..  trans63.217.7-175.7-57-176.167.9-157.70.1115.4I130 A131 R132 S136 Y163 D164 W165I130-R134 HydrophobicContact CD1-CG 4.46Å; A131-R134 WeakPolarHBondContact O-CA 3.11Å; A131-R134 PolarHBondContact O-N 3.34Å; R132-R134 PolarHBondContact O-N 3.01Å; R134-S136 PolarHBondContact O-N 2.97Å; R134-Y163 VanDerWaalsContact CZ-O 3.24Å; R134-Y163 PolarHBondContact NH1-O 3.37Å; R134-D164 HydrophobicContact CB-CB 4.27Å; R134-W165 HydrophobicContact CG-CD2 4.15Å; R134-W165 HydrophobicContact CG-CG 4.33Å; R134-W165 HydrophobicContact CG-CZ2 4.26Å
135E94.6Very high95.5Very high27 Ų2735.7 Ų35.713%0.12618%0.182CC..  trans-61.5134.1170.5-63165.793.900109.8F102 I130 A131 E133F102-E135 HydrophobicContact CE1-CB 4.06Å; F102-E135 HydrophobicContact CZ-CB 4.47Å; F102-E135 WeakPolarHBondContact CZ-OE2 3.48Å; I130-E135 WeakPolarHBondContact CA-O 3.49Å; A131-E135 HydrophobicContact CB-CB 4.12Å; A131-E135 PolarHBondContact N-O 2.58Å; E133-E135 HydrophobicContact CB-CG 4.45Å; E133-E135 PolarHBondContact O-N 3.47Å
136S96.8Very high95.6Very high5 Ų537.1 Ų37.14%0.03519%0.186CC..BIsolated β-bridgetrans-110.2162.1176.873.90000110.3R134 L138 T139 L140 T162R134-S136 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact O-N 3.28Å; S136-L138 PolarHBondContact OG-N 3.38Å; S136-T139 PolarHBondContact N-OG1 3.01Å; S136-T139 PolarHBondContact O-N 3.24Å; S136-T139 PolarHBondContact O-OG1 3.31Å; S136-T139 VanDerWaalsContact O-OG1 3.06Å; S136-T139 PolarHBondContact OG-N 3.41Å; S136-L140 WeakPolarHBondContact O-CG 3.49Å; S136-L140 PolarHBondContact O-N 2.84Å; S136-L140 VanDerWaalsContact O-N 3.13Å; S136-T162 PolarHBondContact OG-OG1 3.01Å
137A97.2Very high95.7Very high1 Ų134.8 Ų34.81%0.00817%0.174CC..Hα-helixtrans-56.5-33.517200000111.4L105 M106 A109 A141 L153L105-A137 HydrophobicContact CD2-CB 4.42Å; L105-A137 HydrophobicContact CG-CB 4.19Å; M106-A137 HydrophobicContact CG-CB 4.22Å; A109-A137 HydrophobicContact CB-CB 4.07Å; A137-A141 WeakPolarHBondContact O-CB 3.22Å; A137-A141 PolarHBondContact O-N 3.26Å; A137-L153 HydrophobicContact CB-CD1 3.94Å; A137-L153 HydrophobicContact CB-CD2 4.02Å
138L98.1Very high95.8Very high1 Ų137.2 Ų37.21%0.00519%0.186CC..Hα-helixtrans-69.2-45.6178.1-174.865.9000111.9S136 L140 A141 S142 V150 L153 L154 V158 D159 P170 L186S136-L138 PolarHBondContact O-N 3.28Å; S136-L138 PolarHBondContact OG-N 3.38Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.93Å; L138-A141 PolarHBondContact O-N 3.28Å; L138-S142 WeakPolarHBondContact O-CB 3.36Å; L138-S142 PolarHBondContact O-N 3Å; L138-S142 PolarHBondContact O-OG 3.29Å; L138-S142 VanDerWaalsContact O-OG 3.05Å; L138-V150 HydrophobicContact CD1-CB 4.33Å; L138-V150 HydrophobicContact CD1-CG1 3.98Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; L138-L153 HydrophobicContact CB-CD1 4.35Å; L138-L153 HydrophobicContact CD1-CB 4.28Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; L138-L154 HydrophobicContact CD1-CD2 4.35Å; L138-L154 HydrophobicContact CD1-CG 4.25Å; L138-L154 HydrophobicContact CD2-CD2 4.01Å; L138-V158 HydrophobicContact CB-CG2 4.36Å; L138-V158 HydrophobicContact CD1-CG2 4.49Å; L138-V158 HydrophobicContact CD2-CG2 3.8Å; L138-V158 HydrophobicContact CG-CG2 4.44Å; L138-D159 WeakPolarHBondContact CD2-O 3.39Å; L138-P170 HydrophobicContact CB-CG 4.38Å; L138-P170 HydrophobicContact CD2-CB 4.02Å; L138-P170 HydrophobicContact CD2-CG 3.6Å; L138-P170 HydrophobicContact CG-CB 3.91Å; L138-P170 HydrophobicContact CG-CG 3.73Å; L138-L186 HydrophobicContact CD1-CD2 4.46Å
139T96.9Very high95.9Very high4 Ų433.3 Ų33.33%0.02517%0.165CC..Hα-helixtrans-62.8-40.3178.258.30000111.5S136 S142 S143 P170 Y173S136-T139 PolarHBondContact N-OG1 3.01Å; S136-T139 PolarHBondContact O-N 3.24Å; S136-T139 PolarHBondContact O-OG1 3.31Å; S136-T139 VanDerWaalsContact O-OG1 3.06Å; S136-T139 PolarHBondContact OG-N 3.41Å; T139-S142 PolarHBondContact O-N 3.08Å; T139-S143 VanDerWaalsContact O-CB 3.28Å; T139-S143 WeakPolarHBondContact O-CB 3.39Å; T139-S143 PolarHBondContact O-N 3.11Å; T139-P170 HydrophobicContact CG2-CG 3.79Å; T139-Y173 HydrophobicContact CG2-CD2 4.27Å; T139-Y173 HydrophobicContact CG2-CE2 4.3Å
140L96.4Very high96.1Very high11 Ų1132.4 Ų32.46%0.05816%0.158CC..Hα-helixtrans-63.4-46.6176.5-64.8167.4000112F102 M106 A110 S136 L138 S143 G144F102-L140 HydrophobicContact CD1-CD1 3.95Å; F102-L140 HydrophobicContact CE1-CD1 3.73Å; F102-L140 HydrophobicContact CE1-CD2 4.18Å; F102-L140 HydrophobicContact CE1-CG 4.49Å; M106-L140 HydrophobicContact CB-CD1 3.61Å; M106-L140 HydrophobicContact CG-CD1 4.08Å; M106-L140 WeakPolarHBondContact O-CD1 3.13Å; A110-L140 HydrophobicContact CB-CB 4.04Å; A110-L140 HydrophobicContact CB-CD1 4.25Å; A110-L140 HydrophobicContact CB-CD2 4.3Å; A110-L140 HydrophobicContact CB-CG 4.43Å; S136-L140 WeakPolarHBondContact O-CG 3.49Å; S136-L140 PolarHBondContact O-N 2.84Å; S136-L140 VanDerWaalsContact O-N 3.13Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.93Å; L140-S143 PolarHBondContact O-N 3.39Å; L140-G144 PolarHBondContact O-N 3.49Å; L140-G144 VanDerWaalsContact O-N 3.08Å
141A97.6Very high96.2Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-64.2-42177.700000112.2A109 A137 L138 G144 G145 Y146 I149 V150 L153A109-A141 HydrophobicContact CB-CB 4.33Å; A137-A141 WeakPolarHBondContact O-CB 3.22Å; A137-A141 PolarHBondContact O-N 3.26Å; L138-A141 PolarHBondContact O-N 3.28Å; A141-G144 CarbonylContact O-C 3.51Å; A141-G144 PolarHBondContact O-N 3.23Å; A141-G145 PolarHBondContact O-N 3.3Å; A141-Y146 PolarHBondContact O-N 3.48Å; A141-I149 HydrophobicContact CB-CB 4.21Å; A141-I149 HydrophobicContact CB-CG2 3.54Å; A141-V150 HydrophobicContact CB-CG2 3.82Å; A141-L153 HydrophobicContact CB-CD1 4.17Å
142S97.6Very high96.4Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-66.7-36.6177.9-64.90000112.7L138 T139 G144 G145 P170 H179L138-S142 WeakPolarHBondContact O-CB 3.36Å; L138-S142 PolarHBondContact O-N 3Å; L138-S142 PolarHBondContact O-OG 3.29Å; L138-S142 VanDerWaalsContact O-OG 3.05Å; T139-S142 PolarHBondContact O-N 3.08Å; S142-G144 VanDerWaalsContact C-N 3.34Å; S142-G145 PolarHBondContact O-N 3.47Å; S142-P170 VanDerWaalsContact CB-O 3.24Å; S142-P170 WeakPolarHBondContact CB-O 3.37Å; S142-H179 PolarHBondContact O-CD2 3.01Å
143S96.3Very high96.6Very high35 Ų3525.2 Ų25.225%0.24513%0.129CC..Hα-helixtrans-64.2-37.7173-172.60000112.4T139 L140 G145 H179T139-S143 VanDerWaalsContact O-CB 3.28Å; T139-S143 WeakPolarHBondContact O-CB 3.39Å; T139-S143 PolarHBondContact O-N 3.11Å; L140-S143 PolarHBondContact O-N 3.39Å; S143-G145 VanDerWaalsContact C-N 3.35Å; S143-H179 PolarHBondContact O-CD2 2.92Å; S143-H179 PolarHBondContact O-NE2 3.09Å
144G92.1Very high96.8Very high6 Ų622.1 Ų22.16%0.06212%0.115CC..Hα-helixtrans-78.7-12.4174.100000115.1L140 A141 S142 Y146L140-G144 PolarHBondContact O-N 3.49Å; L140-G144 VanDerWaalsContact O-N 3.08Å; A141-G144 CarbonylContact O-C 3.51Å; A141-G144 PolarHBondContact O-N 3.23Å; S142-G144 VanDerWaalsContact C-N 3.34Å; G144-Y146 VanDerWaalsContact C-N 3.31Å
145G96.1Very high96.9Very high19 Ų1924.2 Ų24.220%0.19612%0.123CC..THydrogen-bonded Turntrans73.919.5-177.800000114.3A141 S142 S143 V147 H179A141-G145 PolarHBondContact O-N 3.3Å; S142-G145 PolarHBondContact O-N 3.47Å; S143-G145 VanDerWaalsContact C-N 3.35Å; G145-V147 PolarHBondContact O-N 3.19Å; G145-H179 VanDerWaalsContact CA-CD2 3.43Å; G145-H179 WeakPolarHBondContact CA-CD2 3.32Å; G145-H179 PolarHBondContact N-CD2 2.91Å; G145-H179 PolarHBondContact N-NE2 3.27Å
146Y97.8Very high96.9Very high35 Ų3527 Ų2714%0.13714%0.136CC..  trans-8082-177.1-52.2-59.1000111.1Q54 A109 A110 F111 G112 A141 G144 D148 I149 V150Q54-Y146 HydrophobicContact CG-CE1 4.47Å; A109-Y146 VanDerWaalsContact O-CD2 3.26Å; A109-Y146 WeakPolarHBondContact O-CD2 3.36Å; A110-Y146 WeakPolarHBondContact O-CE2 3.47Å; F111-Y146 PolarHBondContact O-OH 3.16Å; G112-Y146 VanDerWaalsContact N-CE2 3.35Å; A141-Y146 PolarHBondContact O-N 3.48Å; G144-Y146 VanDerWaalsContact C-N 3.31Å; Y146-D148 VanDerWaalsContact C-N 3.32Å; Y146-D148 PolarHBondContact O-N 3.01Å; Y146-I149 HydrophobicContact CD2-CD1 4.44Å; Y146-I149 HydrophobicContact CG-CD1 4.23Å; Y146-I149 PolarHBondContact O-N 3.13Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 2.92Å
147V97.6Very high96.7Very high33 Ų3329.5 Ų29.520%0.216%0.162CC..Hα-helixtrans-58.5-41.7-172-173.20000112.7G145 I149 V150 E151 K181 C182 A185G145-V147 PolarHBondContact O-N 3.19Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.06Å; V147-V150 WeakPolarHBondContact O-CB 3.23Å; V147-V150 PolarHBondContact O-N 2.98Å; V147-E151 WeakPolarHBondContact O-CB 3.48Å; V147-E151 WeakPolarHBondContact O-CG 3.41Å; V147-E151 PolarHBondContact O-N 2.93Å; V147-K181 HydrophobicContact CG2-CB 3.69Å; V147-C182 HydrophobicContact CG2-CB 4.15Å; V147-A185 HydrophobicContact CG1-CB 3.97Å
148D97.8Very high96.6Very high70 Ų7030.2 Ų30.237%0.37417%0.167SC..Hα-helixtrans-65.3-34.117958.2-27.2000113.2K114 Y146 S152K114-D148 WeakPolarHBondContact CB-OD2 3.44Å; K114-D148 HydrophobicContact CD-CB 4.08Å; K114-D148 WeakPolarHBondContact CE-O 3.49Å; K114-D148 VanDerWaalsContact CG-OD2 3.24Å; K114-D148 WeakPolarHBondContact CG-OD2 3.33Å; K114-D148 PolarHBondContact NZ-O 3.35Å; Y146-D148 VanDerWaalsContact C-N 3.32Å; Y146-D148 PolarHBondContact O-N 3.01Å; D148-S152 PolarHBondContact O-N 3.37Å
149I98.2Very high96.5Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-72.3-47.2172.1-66.3179.5000110.2A109 G112 K114 V117 A141 Y146 V147 E151 S152 L153A109-I149 HydrophobicContact CB-CG2 4.09Å; G112-I149 VanDerWaalsContact C-CD1 3.46Å; G112-I149 VanDerWaalsContact CA-CD1 3.5Å; K114-I149 HydrophobicContact CB-CG1 4.15Å; K114-I149 HydrophobicContact CD-CG1 3.89Å; V117-I149 HydrophobicContact CG1-CG2 4.22Å; V117-I149 HydrophobicContact CG2-CD1 4.08Å; V117-I149 HydrophobicContact CG2-CG1 4.29Å; V117-I149 HydrophobicContact CG2-CG2 4.03Å; A141-I149 HydrophobicContact CB-CB 4.21Å; A141-I149 HydrophobicContact CB-CG2 3.54Å; Y146-I149 HydrophobicContact CD2-CD1 4.44Å; Y146-I149 HydrophobicContact CG-CD1 4.23Å; Y146-I149 PolarHBondContact O-N 3.13Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.06Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.23Å; I149-S152 WeakPolarHBondContact O-CA 3.41Å; I149-S152 WeakPolarHBondContact O-CB 3.29Å; I149-S152 PolarHBondContact O-N 3.45Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.24Å; I149-L153 PolarHBondContact O-N 3.27Å
150V98.1Very high96.5Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-54.2-48.9176.3165.80000110.6L138 A141 Y146 V147 S152 L153 L154 L186L138-V150 HydrophobicContact CD1-CB 4.33Å; L138-V150 HydrophobicContact CD1-CG1 3.98Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; A141-V150 HydrophobicContact CB-CG2 3.82Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 2.92Å; V147-V150 WeakPolarHBondContact O-CB 3.23Å; V147-V150 PolarHBondContact O-N 2.98Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.34Å; V150-L153 PolarHBondContact O-N 2.87Å; V150-L154 HydrophobicContact CG1-CD1 3.7Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 3.23Å; V150-L186 HydrophobicContact CG1-CD2 3.91Å; V150-L186 HydrophobicContact CG1-CG 4.17Å
151E97.4Very high96.6Very high87 Ų8736.6 Ų36.641%0.40720%0.2SC..Hα-helixtrans-61.9-35.9176.5-73.8-179.4176.200112.9V147 I149 R155 A185V147-E151 WeakPolarHBondContact O-CB 3.48Å; V147-E151 WeakPolarHBondContact O-CG 3.41Å; V147-E151 PolarHBondContact O-N 2.93Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.23Å; E151-R155 WeakPolarHBondContact O-CG 3.42Å; E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E151-R155 PolarHBondContact O-NH1 3.48Å; E151-A185 HydrophobicContact CG-CB 4.43Å
152S97.3Very high96.5Very high3 Ų337.5 Ų37.52%0.02121%0.206CC..Hα-helixtrans-66.2-46.2175.6-126.40000112.7K114 D118 D148 I149 V150 L154 R155 H156K114-S152 PolarHBondContact NZ-OG 2.99Å; D118-S152 WeakPolarHBondContact OD1-CB 3.38Å; D118-S152 PolarHBondContact OD1-OG 3.46Å; D148-S152 PolarHBondContact O-N 3.37Å; I149-S152 WeakPolarHBondContact O-CA 3.41Å; I149-S152 WeakPolarHBondContact O-CB 3.29Å; I149-S152 PolarHBondContact O-N 3.45Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.34Å; S152-L154 VanDerWaalsContact C-N 3.35Å; S152-R155 VanDerWaalsContact CA-NH2 3.32Å; S152-R155 WeakPolarHBondContact O-CB 3.3Å; S152-R155 PolarHBondContact O-N 3.08Å; S152-R155 PolarHBondContact OG-NH2 3.07Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-H156 PolarHBondContact O-ND1 2.96Å
153L97.5Very high96.3Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-63.2-44.4179.4-67.4170000110.3L105 V117 L121 P127 A137 L138 A141 I149 V150 R155 H156 V158L105-L153 HydrophobicContact CD1-CD2 4.49Å; L105-L153 HydrophobicContact CD2-CD2 4.4Å; V117-L153 HydrophobicContact CG1-CD2 4.49Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; L121-L153 HydrophobicContact CD2-CD2 4.41Å; P127-L153 HydrophobicContact CB-CD2 4.37Å; A137-L153 HydrophobicContact CB-CD1 3.94Å; A137-L153 HydrophobicContact CB-CD2 4.02Å; L138-L153 HydrophobicContact CB-CD1 4.35Å; L138-L153 HydrophobicContact CD1-CB 4.28Å; L138-L153 HydrophobicContact CD1-CD1 4.4Å; A141-L153 HydrophobicContact CB-CD1 4.17Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.24Å; I149-L153 PolarHBondContact O-N 3.27Å; V150-L153 PolarHBondContact O-N 2.87Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.45Å; L153-H156 WeakPolarHBondContact O-CA 2.99Å; L153-H156 PolarHBondContact O-N 2.92Å; L153-V158 HydrophobicContact CB-CG1 4.33Å; L153-V158 HydrophobicContact CB-CG2 4.14Å; L153-V158 WeakPolarHBondContact O-CG2 3.5Å
154L96.6Very high96.3Very high25 Ų2538.8 Ų38.813%0.13121%0.206CC..Hα-helixtrans-62-31.8176.9-68170.7000113L138 V150 S152 H156 G157 V158 I160 L186 K189L138-L154 HydrophobicContact CD1-CD2 4.35Å; L138-L154 HydrophobicContact CD1-CG 4.25Å; L138-L154 HydrophobicContact CD2-CD2 4.01Å; V150-L154 HydrophobicContact CG1-CD1 3.7Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 3.23Å; S152-L154 VanDerWaalsContact C-N 3.35Å; L154-H156 PolarHBondContact O-N 3.39Å; L154-G157 PolarHBondContact O-N 2.89Å; L154-V158 HydrophobicContact CD2-CG2 3.96Å; L154-I160 HydrophobicContact CD1-CD1 4.35Å; L154-I160 HydrophobicContact CD2-CB 3.95Å; L154-I160 HydrophobicContact CD2-CD1 3.8Å; L154-I160 HydrophobicContact CD2-CG1 3.8Å; L154-L186 HydrophobicContact CD1-CD2 4.2Å; L154-K189 HydrophobicContact CD1-CB 4.11Å; L154-K189 HydrophobicContact CD1-CG 3.87Å
155R96.2Very high96.4Very high147 Ų14746 Ų4656%0.55523%0.231SC*.Hα-helixtrans-67-24.7172-76.6-173-60.9-94.44.3113.2E151 S152 L153 G157E151-R155 WeakPolarHBondContact O-CG 3.42Å; E151-R155 PolarHBondContact O-N 3.27Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E151-R155 PolarHBondContact O-NH1 3.48Å; S152-R155 VanDerWaalsContact CA-NH2 3.32Å; S152-R155 WeakPolarHBondContact O-CB 3.3Å; S152-R155 PolarHBondContact O-N 3.08Å; S152-R155 PolarHBondContact OG-NH2 3.07Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.45Å; R155-G157 VanDerWaalsContact C-N 3.3Å
156H95.7Very high96.1Very high86 Ų8650.1 Ų50.140%0.39825%0.249SC..THydrogen-bonded Turntrans-9215.6178.6-69.879.7000113.2L121 P127 S152 L153 L154 V158L121-H156 HydrophobicContact CD2-CB 4.5Å; P127-H156 HydrophobicContact CB-CB 4.41Å; P127-H156 HydrophobicContact CG-CB 4.07Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-H156 PolarHBondContact O-ND1 2.96Å; L153-H156 WeakPolarHBondContact O-CA 2.99Å; L153-H156 PolarHBondContact O-N 2.92Å; L154-H156 PolarHBondContact O-N 3.39Å; H156-V158 PolarHBondContact O-N 3.45Å
157G91.7Very high95.8Very high57 Ų5748.5 Ų48.559%0.58824%0.243SC*.THydrogen-bonded Turntrans73.527.5169.300000114.6L154 R155L154-G157 PolarHBondContact O-N 2.89Å; R155-G157 VanDerWaalsContact C-N 3.3Å
158V96.1Very high95.7Very high16 Ų1647.1 Ų47.110%0.09724%0.236CC..  trans-64.8149.4171.1-59.60000111.4P127 N128 L138 L153 L154 H156 I160P127-V158 HydrophobicContact CB-CG1 3.55Å; P127-V158 HydrophobicContact CG-CG1 4.08Å; P127-V158 WeakPolarHBondContact O-CG1 3.44Å; N128-V158 WeakPolarHBondContact OD1-CA 3.43Å; L138-V158 HydrophobicContact CB-CG2 4.36Å; L138-V158 HydrophobicContact CD1-CG2 4.49Å; L138-V158 HydrophobicContact CD2-CG2 3.8Å; L138-V158 HydrophobicContact CG-CG2 4.44Å; L153-V158 HydrophobicContact CB-CG1 4.33Å; L153-V158 HydrophobicContact CB-CG2 4.14Å; L153-V158 WeakPolarHBondContact O-CG2 3.5Å; L154-V158 HydrophobicContact CD2-CG2 3.96Å; H156-V158 PolarHBondContact O-N 3.45Å; V158-I160 PolarHBondContact O-N 3.24Å
159D96.1Very high95.6Very high85 Ų8543.8 Ų43.846%0.45522%0.218SC..  trans-64.8118.1168.6178.411.3000110L138 N161 T162L138-D159 WeakPolarHBondContact CD2-O 3.39Å; D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 3.46Å; D159-T162 HydrophobicContact CB-CG2 3.85Å; D159-T162 WeakPolarHBondContact O-CG2 3.43Å
160I97.2Very high95.6Very high20 Ų2043.8 Ų43.810%0.10322%0.218CC..THydrogen-bonded Turntrans-72.1-20.5-179.5-167163.4000112.7L154 V158 P170 L186 K189 A191L154-I160 HydrophobicContact CD1-CD1 4.35Å; L154-I160 HydrophobicContact CD2-CB 3.95Å; L154-I160 HydrophobicContact CD2-CD1 3.8Å; L154-I160 HydrophobicContact CD2-CG1 3.8Å; V158-I160 PolarHBondContact O-N 3.24Å; I160-P170 WeakPolarHBondContact O-CG 3.31Å; I160-L186 HydrophobicContact CD1-CD2 4.16Å; I160-L186 VanDerWaalsContact CD1-O 3.27Å; I160-L186 WeakPolarHBondContact CD1-O 3.47Å; I160-L186 HydrophobicContact CG1-CD2 3.93Å; I160-K189 HydrophobicContact CD1-CB 3.58Å; I160-A191 HydrophobicContact CD1-CB 3.8Å; I160-A191 HydrophobicContact CG1-CB 3.91Å
161N96.8Very high95.6Very high44 Ų4443.9 Ų43.924%0.23522%0.218CC..THydrogen-bonded Turntrans-11025.1-175.4-63.8-42.8000111.9D159 Y163 D192 I195D159-N161 PolarHBondContact O-N 3.37Å; D159-N161 PolarHBondContact OD1-N 3.46Å; N161-Y163 PolarHBondContact O-N 3.04Å; N161-D192 PolarHBondContact OD1-N 3.19Å; N161-I195 HydrophobicContact CB-CD1 3.82Å
162T95.7Very high95.7Very high20 Ų2040 Ų4012%0.12320%0.2CC..  trans-50.6134.1174.850.50000110.3S136 D159 T169 P170S136-T162 PolarHBondContact OG-OG1 3.01Å; D159-T162 HydrophobicContact CB-CG2 3.85Å; D159-T162 WeakPolarHBondContact O-CG2 3.43Å; T162-T169 WeakPolarHBondContact O-CA 3.47Å; T162-P170 VanDerWaalsContact O-CD 3.24Å; T162-P170 WeakPolarHBondContact O-CD 3.41Å; T162-P170 WeakPolarHBondContact OG1-CG 3.49Å
163Y95.1Very high95.7Very high60 Ų6041.6 Ų41.624%0.23521%0.206CC..  trans-117.3119.5-179.7-161.1-89.8000110R134 N161 G167 G168 T169 I195 E196 D198R134-Y163 VanDerWaalsContact CZ-O 3.24Å; R134-Y163 PolarHBondContact NH1-O 3.37Å; N161-Y163 PolarHBondContact O-N 3.04Å; Y163-G167 WeakPolarHBondContact OH-CA 2.88Å; Y163-G168 WeakPolarHBondContact CA-O 3.17Å; Y163-T169 HydrophobicContact CD2-CG2 3.66Å; Y163-T169 HydrophobicContact CE2-CG2 4.25Å; Y163-I195 HydrophobicContact CD2-CG2 3.96Å; Y163-I195 HydrophobicContact CE2-CG2 3.89Å; Y163-E196 WeakPolarHBondContact CE2-O 3.14Å; Y163-E196 PolarHBondContact OH-O 3.35Å; Y163-D198 PolarHBondContact OH-N 3.29Å; Y163-D198 PolarHBondContact OH-OD1 2.94Å
164D94.4Very high95.7Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..  trans-94.2169.6179.765.131.3000113.2E133 R134 N166 G167 G168 Y173E133-D164 WeakPolarHBondContact O-CB 3.13Å; R134-D164 HydrophobicContact CB-CB 4.27Å; D164-N166 PolarHBondContact O-N 3.42Å; D164-N166 WeakPolarHBondContact OD1-CA 3.43Å; D164-N166 WeakPolarHBondContact OD1-CB 3.07Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 VanDerWaalsContact OD1-N 3.08Å; D164-G167 PolarHBondContact O-N 3.4Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 3.29Å; D164-G168 PolarHBondContact N-O 3.09Å; D164-G168 PolarHBondContact OD1-N 2.88Å; D164-Y173 PolarHBondContact OD1-OH 3.39Å; D164-Y173 VanDerWaalsContact OD1-OH 3.09Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y173 PolarHBondContact OD2-OH 3.37Å
165W94.3Very high95.8Very high158 Ų15840.4 Ų40.460%0.59820%0.2SC*.THydrogen-bonded Turntrans-74.8-4179.1-70.6-20.6000113.9R132 E133 R134R132-W165 WeakPolarHBondContact O-CZ3 3.36Å; E133-W165 PolarHBondContact O-N 3.17Å; R134-W165 HydrophobicContact CG-CD2 4.15Å; R134-W165 HydrophobicContact CG-CG 4.33Å; R134-W165 HydrophobicContact CG-CZ2 4.26Å
166N91.1Very high95.8Very high105 Ų10541.9 Ų41.956%0.56121%0.205SC*.THydrogen-bonded Turntrans-85.95.6168.6-67.372.6000111.7D164 Y173D164-N166 PolarHBondContact O-N 3.42Å; D164-N166 WeakPolarHBondContact OD1-CA 3.43Å; D164-N166 WeakPolarHBondContact OD1-CB 3.07Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 VanDerWaalsContact OD1-N 3.08Å; N166-Y173 WeakPolarHBondContact CB-OH 3.29Å
167G91.6Very high95.7Very high2 Ų239.4 Ų39.42%0.02120%0.203CC..SBendtrans74.328.1177.600000112.7Y163 D164 S197 D198Y163-G167 WeakPolarHBondContact OH-CA 2.88Å; D164-G167 PolarHBondContact O-N 3.4Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 3.29Å; G167-S197 WeakPolarHBondContact O-CA 3.49Å; G167-S197 WeakPolarHBondContact O-CB 3.26Å; G167-D198 VanDerWaalsContact CA-CG 3.41Å; G167-D198 WeakPolarHBondContact CA-OD2 3.29Å; G167-D198 PolarHBondContact N-OD2 2.87Å
168G94.1Very high96Very high4 Ų440 Ų404%0.04119%0.193CC..  trans-118.6147.4-173.100000114Y163 D164Y163-G168 WeakPolarHBondContact CA-O 3.17Å; D164-G168 PolarHBondContact N-O 3.09Å; D164-G168 PolarHBondContact OD1-N 2.88Å
169T97.6Very high96.1Very high0 Ų041.2 Ų41.20%020%0.198CC..  trans-109.5161.2163.2640000110.3T162 Y163 L171 L172 Y173 I195T162-T169 WeakPolarHBondContact O-CA 3.47Å; Y163-T169 HydrophobicContact CD2-CG2 3.66Å; Y163-T169 HydrophobicContact CE2-CG2 4.25Å; T169-L171 PolarHBondContact O-N 3.31Å; T169-L171 VanDerWaalsContact O-N 3.16Å; T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 PolarHBondContact O-N 3.07Å; T169-L172 WeakPolarHBondContact OG1-CG 3.34Å; T169-L172 PolarHBondContact OG1-N 3.34Å; T169-Y173 WeakPolarHBondContact O-CD2 3.17Å; T169-Y173 PolarHBondContact O-N 2.92Å; T169-I195 HydrophobicContact CG2-CB 4.24Å; T169-I195 HydrophobicContact CG2-CD1 4.27Å; T169-I195 HydrophobicContact CG2-CG2 3.64Å
170P98Very high96.1Very high0 Ų039.3 Ų39.30%019%0.187CC..Hα-helixtrans-49.1-42172.6-30.136.2000113L138 T139 S142 I160 T162 Y173 A174 L186L138-P170 HydrophobicContact CB-CG 4.38Å; L138-P170 HydrophobicContact CD2-CB 4.02Å; L138-P170 HydrophobicContact CD2-CG 3.6Å; L138-P170 HydrophobicContact CG-CB 3.91Å; L138-P170 HydrophobicContact CG-CG 3.73Å; T139-P170 HydrophobicContact CG2-CG 3.79Å; S142-P170 VanDerWaalsContact CB-O 3.24Å; S142-P170 WeakPolarHBondContact CB-O 3.37Å; I160-P170 WeakPolarHBondContact O-CG 3.31Å; T162-P170 VanDerWaalsContact O-CD 3.24Å; T162-P170 WeakPolarHBondContact O-CD 3.41Å; T162-P170 WeakPolarHBondContact OG1-CG 3.49Å; P170-Y173 PolarHBondContact O-N 3.44Å; P170-A174 WeakPolarHBondContact O-CB 3.44Å; P170-A174 PolarHBondContact O-N 3.33Å; P170-L186 HydrophobicContact CB-CD1 4.22Å; P170-L186 HydrophobicContact CB-CD2 4.09Å
171L98.2Very high96.1Very high1 Ų145.6 Ų45.61%0.00521%0.214CC..Hα-helixtrans-64.6-45.8177-176.860.6000112.1T169 Y173 A174 V175 V183 L186 L187 A191 M193 P203T169-L171 PolarHBondContact O-N 3.31Å; T169-L171 VanDerWaalsContact O-N 3.16Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 2.86Å; L171-A174 PolarHBondContact O-N 3.47Å; L171-V175 HydrophobicContact CD1-CG2 4.45Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.88Å; L171-V183 HydrophobicContact CD1-CB 4.4Å; L171-V183 HydrophobicContact CD1-CG1 3.96Å; L171-V183 HydrophobicContact CD1-CG2 4.24Å; L171-L186 HydrophobicContact CB-CD1 4.42Å; L171-L186 HydrophobicContact CD1-CB 4.37Å; L171-L186 HydrophobicContact CD1-CD1 4.43Å; L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.27Å; L171-L187 HydrophobicContact CD2-CD2 3.99Å; L171-A191 HydrophobicContact CB-CB 4.36Å; L171-A191 HydrophobicContact CD2-CB 4.12Å; L171-M193 HydrophobicContact CD2-CB 4.33Å; L171-P203 HydrophobicContact CD2-CB 4.08Å; L171-P203 HydrophobicContact CD2-CG 3.75Å; L171-P203 HydrophobicContact CG-CB 4.16Å; L171-P203 HydrophobicContact CG-CG 4Å
172L97.9Very high96.2Very high6 Ų643.5 Ų43.53%0.03120%0.202CC..Hα-helixtrans-60.5-40.6176.9-74.9165.1000112T169 V175 R176 P203 L206T169-L172 HydrophobicContact CG2-CD1 4.22Å; T169-L172 PolarHBondContact O-N 3.07Å; T169-L172 WeakPolarHBondContact OG1-CG 3.34Å; T169-L172 PolarHBondContact OG1-N 3.34Å; L172-V175 PolarHBondContact O-N 3.27Å; L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 3.27Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.26Å; L172-L206 HydrophobicContact CD2-CD2 4.02Å
173Y97.6Very high96.3Very high37 Ų3742.6 Ų42.615%0.14520%0.197CC..Hα-helixtrans-65.9-43.9175.7-75-65.1000112.8T139 D164 N166 T169 P170 L171 V175 R176 G177T139-Y173 HydrophobicContact CG2-CD2 4.27Å; T139-Y173 HydrophobicContact CG2-CE2 4.3Å; D164-Y173 PolarHBondContact OD1-OH 3.39Å; D164-Y173 VanDerWaalsContact OD1-OH 3.09Å; D164-Y173 WeakPolarHBondContact OD2-CE2 3.33Å; D164-Y173 PolarHBondContact OD2-OH 3.37Å; N166-Y173 WeakPolarHBondContact CB-OH 3.29Å; T169-Y173 WeakPolarHBondContact O-CD2 3.17Å; T169-Y173 PolarHBondContact O-N 2.92Å; P170-Y173 PolarHBondContact O-N 3.44Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 2.86Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.46Å; Y173-R176 PolarHBondContact O-N 3.15Å; Y173-G177 PolarHBondContact O-N 3.23Å
174A97.9Very high96.4Very high0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-61.1-39.5175.500000111.6P170 L171 N178 H179 C182 V183 L186P170-A174 WeakPolarHBondContact O-CB 3.44Å; P170-A174 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 3.47Å; A174-N178 PolarHBondContact O-N 3.47Å; A174-H179 HydrophobicContact CB-CB 4.49Å; A174-H179 PolarHBondContact O-N 3.09Å; A174-C182 HydrophobicContact CB-CB 4.09Å; A174-V183 HydrophobicContact CB-CG2 3.66Å; A174-L186 HydrophobicContact CB-CD1 3.94Å
175V97.7Very high96.5Very high0 Ų044.8 Ų44.80%021%0.211CC..Hα-helixtrans-64.4-47.4174.5169.40000111.9L171 L172 Y173 G177 N178 V183 P203 L206 A207 H212 L215L171-V175 HydrophobicContact CD1-CG2 4.45Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.88Å; L172-V175 PolarHBondContact O-N 3.27Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.46Å; V175-G177 VanDerWaalsContact C-N 3.27Å; V175-G177 PolarHBondContact O-N 2.91Å; V175-N178 PolarHBondContact O-N 3.23Å; V175-V183 HydrophobicContact CG2-CG2 3.89Å; V175-P203 HydrophobicContact CG2-CB 4.15Å; V175-L206 HydrophobicContact CB-CD2 4.39Å; V175-L206 HydrophobicContact CG1-CB 4.03Å; V175-L206 HydrophobicContact CG1-CD2 3.99Å; V175-L206 HydrophobicContact CG1-CG 3.97Å; V175-A207 HydrophobicContact CG1-CB 3.91Å; V175-H212 PolarHBondContact O-CE1 3.29Å; V175-H212 PolarHBondContact O-ND1 2.93Å; V175-L215 HydrophobicContact CB-CD2 4.4Å; V175-L215 HydrophobicContact CG1-CD2 4.11Å; V175-L215 HydrophobicContact CG2-CD1 4.44Å; V175-L215 HydrophobicContact CG2-CD2 3.79Å
176R96.5Very high96.7Very high177 Ų17737.3 Ų37.367%0.66818%0.183SC*.Hα-helixtrans-59.6-39.1179.2-171.6172.1179163.2-0.1111.9L172 Y173 N178 L206 L210L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 3.27Å; Y173-R176 PolarHBondContact O-N 3.15Å; R176-N178 VanDerWaalsContact C-N 3.28Å; R176-N178 PolarHBondContact O-N 2.86Å; R176-L206 HydrophobicContact CB-CD2 4.14Å; R176-L210 HydrophobicContact CG-CD1 4.39Å
177G94.8Very high97Very high35 Ų3532.5 Ų32.536%0.36116%0.157SC..THydrogen-bonded Turntrans-79-1.517600000115.2Y173 V175 H179Y173-G177 PolarHBondContact O-N 3.23Å; V175-G177 VanDerWaalsContact C-N 3.27Å; V175-G177 PolarHBondContact O-N 2.91Å; G177-H179 PolarHBondContact O-N 3.41Å
178N97.3Very high97.1Very high68 Ų6836.4 Ų36.436%0.36419%0.189SC..THydrogen-bonded Turntrans56.332-172.8-162.627.5000113.6A174 V175 R176 I180A174-N178 PolarHBondContact O-N 3.47Å; V175-N178 PolarHBondContact O-N 3.23Å; R176-N178 VanDerWaalsContact C-N 3.28Å; R176-N178 PolarHBondContact O-N 2.86Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.5Å
179H97.7Very high97.2Very high43 Ų4342.7 Ų42.720%0.19922%0.215CC..  trans-84.574.3-176-62.4-51000110.9S142 S143 G145 A174 G177 K181 C182 V183S142-H179 PolarHBondContact O-CD2 3.01Å; S143-H179 PolarHBondContact O-CD2 2.92Å; S143-H179 PolarHBondContact O-NE2 3.09Å; G145-H179 VanDerWaalsContact CA-CD2 3.43Å; G145-H179 WeakPolarHBondContact CA-CD2 3.32Å; G145-H179 PolarHBondContact N-CD2 2.91Å; G145-H179 PolarHBondContact N-NE2 3.27Å; A174-H179 HydrophobicContact CB-CB 4.49Å; A174-H179 PolarHBondContact O-N 3.09Å; G177-H179 PolarHBondContact O-N 3.41Å; H179-K181 VanDerWaalsContact C-N 3.34Å; H179-K181 PolarHBondContact O-N 3.37Å; H179-C182 HydrophobicContact CB-CB 3.69Å; H179-C182 WeakPolarHBondContact O-CA 3.29Å; H179-C182 VanDerWaalsContact O-CB 3.31Å; H179-C182 WeakPolarHBondContact O-CB 3.24Å; H179-C182 PolarHBondContact O-N 3.16Å; H179-V183 PolarHBondContact O-N 3.49Å
180I97.4Very high97Very high44 Ų4445.1 Ų45.123%0.22624%0.24CC..Hα-helixtrans-50.8-49.8-172-62.9171.3000112.5N178 C182 V183 E184 K214 L215 V218N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.5Å; I180-C182 VanDerWaalsContact C-N 3.28Å; I180-C182 PolarHBondContact O-N 3.44Å; I180-V183 WeakPolarHBondContact O-CB 3.34Å; I180-V183 PolarHBondContact O-N 3.24Å; I180-E184 WeakPolarHBondContact O-CG 3.4Å; I180-E184 PolarHBondContact O-N 3.39Å; I180-K214 HydrophobicContact CD1-CB 3.64Å; I180-K214 HydrophobicContact CD1-CD 4.21Å; I180-L215 HydrophobicContact CG1-CB 4.35Å; I180-V218 HydrophobicContact CG2-CG2 3.88Å
181K97.6Very high97Very high153 Ų15345.4 Ų45.467%0.66524%0.243SC*.Hα-helixtrans-64.6-33.1-179.5-66.6-174.5177.4-176.40112.9V147 H179 E184 A185V147-K181 HydrophobicContact CG2-CB 3.69Å; H179-K181 VanDerWaalsContact C-N 3.34Å; H179-K181 PolarHBondContact O-N 3.37Å; K181-E184 PolarHBondContact O-N 3.36Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.99Å
182C97.5Very high96.8Very high0 Ų048.1 Ų48.10%026%0.257CS..Hα-helixtrans-69.1-42.7176.2-1730000110.5V147 A174 H179 I180 A185 L186V147-C182 HydrophobicContact CG2-CB 4.15Å; A174-C182 HydrophobicContact CB-CB 4.09Å; H179-C182 HydrophobicContact CB-CB 3.69Å; H179-C182 WeakPolarHBondContact O-CA 3.29Å; H179-C182 VanDerWaalsContact O-CB 3.31Å; H179-C182 WeakPolarHBondContact O-CB 3.24Å; H179-C182 PolarHBondContact O-N 3.16Å; I180-C182 VanDerWaalsContact C-N 3.28Å; I180-C182 PolarHBondContact O-N 3.44Å; C182-A185 PolarHBondContact O-N 3.12Å; C182-L186 WeakPolarHBondContact O-CB 2.99Å; C182-L186 WeakPolarHBondContact O-CG 3.18Å; C182-L186 PolarHBondContact O-N 3.1Å
183V98Very high96.6Very high0 Ų049.5 Ų49.50%026%0.264CS..Hα-helixtrans-59.1-46.9172.6170.10000111.1L171 A174 V175 H179 I180 A185 L186 L187 L215 V218 L219L171-V183 HydrophobicContact CD1-CB 4.4Å; L171-V183 HydrophobicContact CD1-CG1 3.96Å; L171-V183 HydrophobicContact CD1-CG2 4.24Å; A174-V183 HydrophobicContact CB-CG2 3.66Å; V175-V183 HydrophobicContact CG2-CG2 3.89Å; H179-V183 PolarHBondContact O-N 3.49Å; I180-V183 WeakPolarHBondContact O-CB 3.34Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-A185 VanDerWaalsContact C-N 3.34Å; V183-A185 PolarHBondContact O-N 2.81Å; V183-L186 PolarHBondContact O-N 2.95Å; V183-L187 HydrophobicContact CG1-CD1 3.62Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 3.13Å; V183-L215 HydrophobicContact CG2-CD1 4Å; V183-L215 HydrophobicContact CG2-CG 4.41Å; V183-V218 HydrophobicContact CG1-CG1 4.34Å; V183-L219 HydrophobicContact CG1-CD2 3.87Å
184E97.1Very high96.5Very high95 Ų9552.5 Ų52.544%0.44429%0.287SS..Hα-helixtrans-58-45.4176.3-71.2174.6157.300112I180 K181 L187 A188 V218I180-E184 WeakPolarHBondContact O-CG 3.4Å; I180-E184 PolarHBondContact O-N 3.39Å; K181-E184 PolarHBondContact O-N 3.36Å; E184-L187 PolarHBondContact O-N 2.79Å; E184-A188 VanDerWaalsContact O-CB 3.24Å; E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.34Å; E184-V218 HydrophobicContact CG-CG1 3.58Å; E184-V218 HydrophobicContact CG-CG2 4.5Å
185A97.4Very high96.4Very high13 Ų1354.4 Ų54.411%0.10730%0.296CS..Hα-helixtrans-63.5-43.817900000112.5V147 E151 K181 C182 V183 A188 K189V147-A185 HydrophobicContact CG1-CB 3.97Å; E151-A185 HydrophobicContact CG-CB 4.43Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.99Å; C182-A185 PolarHBondContact O-N 3.12Å; V183-A185 VanDerWaalsContact C-N 3.34Å; V183-A185 PolarHBondContact O-N 2.81Å; A185-A188 PolarHBondContact O-N 2.91Å; A185-K189 WeakPolarHBondContact O-CG 3.34Å; A185-K189 PolarHBondContact O-N 3.02Å
186L97.7Very high96.3Very high0 Ų059.6 Ų59.60%032%0.321CS..Hα-helixtrans-64-46.7177-72.4167.9000111.4L138 V150 L154 I160 P170 L171 A174 C182 V183 A188 K189 G190 A191L138-L186 HydrophobicContact CD1-CD2 4.46Å; V150-L186 HydrophobicContact CG1-CD2 3.91Å; V150-L186 HydrophobicContact CG1-CG 4.17Å; L154-L186 HydrophobicContact CD1-CD2 4.2Å; I160-L186 HydrophobicContact CD1-CD2 4.16Å; I160-L186 VanDerWaalsContact CD1-O 3.27Å; I160-L186 WeakPolarHBondContact CD1-O 3.47Å; I160-L186 HydrophobicContact CG1-CD2 3.93Å; P170-L186 HydrophobicContact CB-CD1 4.22Å; P170-L186 HydrophobicContact CB-CD2 4.09Å; L171-L186 HydrophobicContact CB-CD1 4.42Å; L171-L186 HydrophobicContact CD1-CB 4.37Å; L171-L186 HydrophobicContact CD1-CD1 4.43Å; A174-L186 HydrophobicContact CB-CD1 3.94Å; C182-L186 WeakPolarHBondContact O-CB 2.99Å; C182-L186 WeakPolarHBondContact O-CG 3.18Å; C182-L186 PolarHBondContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 2.95Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-K189 CarbonylContact O-C 3.57Å; L186-K189 PolarHBondContact O-N 3.01Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L186-G190 PolarHBondContact O-N 2.72Å; L186-A191 HydrophobicContact CB-CB 3.93Å; L186-A191 WeakPolarHBondContact O-CB 3.44Å; L186-A191 PolarHBondContact O-N 3.16Å
187L96.7Very high96.2Very high5 Ų552.2 Ų52.23%0.02630%0.296CS..Hα-helixtrans-65.4-38.5178.6-69.4172.6000112.4L171 V183 E184 K189 G190 M193 L219 H222L171-L187 HydrophobicContact CD1-CD2 4.29Å; L171-L187 HydrophobicContact CD1-CG 4.27Å; L171-L187 HydrophobicContact CD2-CD2 3.99Å; V183-L187 HydrophobicContact CG1-CD1 3.62Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 WeakPolarHBondContact O-CB 3.42Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 3.13Å; E184-L187 PolarHBondContact O-N 2.79Å; L187-K189 PolarHBondContact O-N 2.84Å; L187-G190 PolarHBondContact O-N 2.89Å; L187-M193 HydrophobicContact CD2-CE 3.83Å; L187-L219 HydrophobicContact CD1-CD2 3.79Å; L187-H222 HydrophobicContact CD1-CB 4.07Å; L187-H222 PolarHBondContact O-CE1 3.34Å; L187-H222 VanDerWaalsContact O-CE1 3.3Å
188A94.9Very high96.1Very high83 Ų8355.8 Ų55.869%0.68631%0.307SS*.Hα-helixtrans-61.9-22.4174.800000112.8E184 A185 L186E184-A188 VanDerWaalsContact O-CB 3.24Å; E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.34Å; A185-A188 PolarHBondContact O-N 2.91Å; L186-A188 PolarHBondContact O-N 3.36Å
189K95.6Very high95.9Very high136 Ų13657.1 Ų57.159%0.59132%0.321SS*.THydrogen-bonded Turntrans-986.9175.2-65.5-63.5-174.4-178.70113.8L154 I160 A185 L186 L187L154-K189 HydrophobicContact CD1-CB 4.11Å; L154-K189 HydrophobicContact CD1-CG 3.87Å; I160-K189 HydrophobicContact CD1-CB 3.58Å; A185-K189 WeakPolarHBondContact O-CG 3.34Å; A185-K189 PolarHBondContact O-N 3.02Å; L186-K189 CarbonylContact O-C 3.57Å; L186-K189 PolarHBondContact O-N 3.01Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L187-K189 PolarHBondContact O-N 2.84Å
190G94.2Very high95.7Very high51 Ų5157.1 Ų57.153%0.52633%0.333SS..THydrogen-bonded Turntrans85.629.8173.600000114.6L186 L187 D192L186-G190 PolarHBondContact O-N 2.72Å; L187-G190 PolarHBondContact O-N 2.89Å; G190-D192 PolarHBondContact O-N 2.98Å
191A96.4Very high95.6Very high7 Ų760.1 Ų60.16%0.05834%0.342CS..  trans-57.6135.9171.200000111I160 L171 L186 M193I160-A191 HydrophobicContact CD1-CB 3.8Å; I160-A191 HydrophobicContact CG1-CB 3.91Å; L171-A191 HydrophobicContact CB-CB 4.36Å; L171-A191 HydrophobicContact CD2-CB 4.12Å; L186-A191 HydrophobicContact CB-CB 3.93Å; L186-A191 WeakPolarHBondContact O-CB 3.44Å; L186-A191 PolarHBondContact O-N 3.16Å; A191-M193 PolarHBondContact O-N 2.86Å
192D95.2Very high95.5Very high57 Ų5754.2 Ų54.231%0.30532%0.32SS..  trans-78.7119.7-178.1-170.7-11.9000110.5N161 G190 T194 I195N161-D192 PolarHBondContact OD1-N 3.19Å; G190-D192 PolarHBondContact O-N 2.98Å; D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 WeakPolarHBondContact OD1-CA 3.13Å; D192-T194 VanDerWaalsContact OD1-CB 3.32Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.27Å; D192-T194 PolarHBondContact OD1-N 3.38Å; D192-T194 PolarHBondContact OD1-OG1 2.91Å; D192-T194 PolarHBondContact OD2-OG1 2.83Å; D192-I195 HydrophobicContact CB-CD1 3.8Å; D192-I195 HydrophobicContact CB-CG1 3.97Å
193M94.3Very high95.5Very high35 Ų3554.2 Ų54.217%0.17232%0.32CS..SBendtrans-89.5-0.4179.160.91724700114.2L171 L187 A191 P203 H222 I223 L226L171-M193 HydrophobicContact CD2-CB 4.33Å; L187-M193 HydrophobicContact CD2-CE 3.83Å; A191-M193 PolarHBondContact O-N 2.86Å; M193-P203 WeakPolarHBondContact O-CD 3.32Å; M193-H222 HydrophobicContact CE-CB 4.35Å; M193-H222 VanDerWaalsContact CE-CD2 3.41Å; M193-H222 WeakPolarHBondContact CE-CD2 3.44Å; M193-I223 HydrophobicContact CE-CG1 3.8Å; M193-I223 HydrophobicContact SD-CD1 3.97Å; M193-I223 HydrophobicContact SD-CG1 3.31Å; M193-I223 WeakPolarHBondContact SD-CG1 3.37Å; M193-L226 HydrophobicContact SD-CD1 4.34Å
194T93.9Very high95.4Very high101 Ų10156.4 Ų56.462%0.6233%0.331SS*.SBendtrans-93.4-16.6179.271.90000112.6D192 E196D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 WeakPolarHBondContact OD1-CA 3.13Å; D192-T194 VanDerWaalsContact OD1-CB 3.32Å; D192-T194 WeakPolarHBondContact OD1-CB 3.25Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.27Å; D192-T194 PolarHBondContact OD1-N 3.38Å; D192-T194 PolarHBondContact OD1-OG1 2.91Å; D192-T194 PolarHBondContact OD2-OG1 2.83Å; T194-E196 PolarHBondContact O-N 2.96Å
195I95.7Very high95.4Very high39 Ų3953.7 Ų53.720%0.232%0.324CS..PPolyproline II helixtrans-68.1123.8179.4-59.2174.4000109.9N161 Y163 T169 D192 P203N161-I195 HydrophobicContact CB-CD1 3.82Å; Y163-I195 HydrophobicContact CD2-CG2 3.96Å; Y163-I195 HydrophobicContact CE2-CG2 3.89Å; T169-I195 HydrophobicContact CG2-CB 4.24Å; T169-I195 HydrophobicContact CG2-CD1 4.27Å; T169-I195 HydrophobicContact CG2-CG2 3.64Å; D192-I195 HydrophobicContact CB-CD1 3.8Å; D192-I195 HydrophobicContact CB-CG1 3.97Å; I195-P203 VanDerWaalsContact O-CD 3.31Å; I195-P203 WeakPolarHBondContact O-CD 3.47Å
196E95.8Very high95.3Very high110 Ų11054.2 Ų54.251%0.51433%0.325SS..PPolyproline II helixtrans-92.3146177-61.1-176.3167.300111.2Y163 T194Y163-E196 WeakPolarHBondContact CE2-O 3.14Å; Y163-E196 PolarHBondContact OH-O 3.35Å; T194-E196 PolarHBondContact O-N 2.96Å
197S95.1Very high95.3Very high21 Ų2154.2 Ų54.215%0.14733%0.325CS..PPolyproline II helixtrans-65.2163.4165.156.60000111.3G167 S199 G200 Y201G167-S197 WeakPolarHBondContact O-CA 3.49Å; G167-S197 WeakPolarHBondContact O-CB 3.26Å; S197-S199 PolarHBondContact O-N 3.5Å; S197-G200 WeakPolarHBondContact O-CA 3.26Å; S197-G200 PolarHBondContact O-N 3.41Å; S197-Y201 PolarHBondContact N-O 3.08Å; S197-Y201 WeakPolarHBondContact OG-CB 3.26Å; S197-Y201 PolarHBondContact OG-N 2.96Å; S197-Y201 PolarHBondContact OG-O 3.4Å; S197-Y201 VanDerWaalsContact OG-O 3.07Å
198D93.1Very high95.3Very high110 Ų11058 Ų5859%0.58835%0.348SS*.THydrogen-bonded Turntrans-56.1-20.7173.4-75.4-22.2000113.2Y163 G167 G200Y163-D198 PolarHBondContact OH-N 3.29Å; Y163-D198 PolarHBondContact OH-OD1 2.94Å; G167-D198 VanDerWaalsContact CA-CG 3.41Å; G167-D198 WeakPolarHBondContact CA-OD2 3.29Å; G167-D198 PolarHBondContact N-OD2 2.87Å; D198-G200 VanDerWaalsContact C-N 3.29Å
199S91.8Very high95.4Very high96 Ų9657 Ų5767%0.67134%0.34SS*.THydrogen-bonded Turntrans-84.65.2174.5-59.80000114S197 Y201S197-S199 PolarHBondContact O-N 3.5Å; S199-Y201 VanDerWaalsContact C-N 3.32Å; S199-Y201 WeakPolarHBondContact O-CD2 3.49Å; S199-Y201 PolarHBondContact O-N 2.95Å
200G94Very high95.3Very high43 Ų4354.4 Ų54.444%0.44333%0.332SS..SBendtrans75.314.7-17900000114.6S197 D198S197-G200 WeakPolarHBondContact O-CA 3.26Å; S197-G200 PolarHBondContact O-N 3.41Å; D198-G200 VanDerWaalsContact C-N 3.29Å
201Y95.1Very high95.4Very high108 Ų10854 Ų5442%0.42433%0.329SS..  trans-94.5118.7175.8-68.2-86.5000110.8S197 S199 A205 A209S197-Y201 PolarHBondContact N-O 3.08Å; S197-Y201 WeakPolarHBondContact OG-CB 3.26Å; S197-Y201 PolarHBondContact OG-N 2.96Å; S197-Y201 PolarHBondContact OG-O 3.4Å; S197-Y201 VanDerWaalsContact OG-O 3.07Å; S199-Y201 VanDerWaalsContact C-N 3.32Å; S199-Y201 WeakPolarHBondContact O-CD2 3.49Å; S199-Y201 PolarHBondContact O-N 2.95Å; Y201-A205 HydrophobicContact CD1-CB 3.96Å; Y201-A209 HydrophobicContact CD1-CB 4.34Å; Y201-A209 HydrophobicContact CE1-CB 3.84Å
202S96.2Very high95.5Very high28 Ų2855.3 Ų55.320%0.19633%0.334CS..  trans-68.4163.116070.80000111.1M204 A205 L206S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 3.11Å; S202-A205 PolarHBondContact O-N 3.22Å; S202-A205 VanDerWaalsContact O-N 3.1Å; S202-A205 WeakPolarHBondContact OG-CB 3.47Å; S202-A205 PolarHBondContact OG-N 3.02Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.1Å
203P96.4Very high95.5Very high0 Ų060.2 Ų60.20%035%0.352CS..Hα-helixtrans-51-41.8174-3237.3000113.6L171 L172 V175 M193 I195 A207L171-P203 HydrophobicContact CD2-CB 4.08Å; L171-P203 HydrophobicContact CD2-CG 3.75Å; L171-P203 HydrophobicContact CG-CB 4.16Å; L171-P203 HydrophobicContact CG-CG 4Å; L172-P203 HydrophobicContact CD2-CG 3.94Å; L172-P203 HydrophobicContact CG-CG 4.26Å; V175-P203 HydrophobicContact CG2-CB 4.15Å; M193-P203 WeakPolarHBondContact O-CD 3.32Å; I195-P203 VanDerWaalsContact O-CD 3.31Å; I195-P203 WeakPolarHBondContact O-CD 3.47Å; P203-A207 WeakPolarHBondContact O-CB 3.36Å; P203-A207 PolarHBondContact O-N 2.71Å
204M96.5Very high95.6Very high47 Ų4766.1 Ų66.123%0.23238%0.377CS..Hα-helixtrans-67.2-47.9176.3-17664.782.800111.5S202 L206 A207 V208 L219 E220 I223S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 3.11Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 PolarHBondContact O-N 3.08Å; M204-A207 PolarHBondContact O-N 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 3.32Å; M204-V208 PolarHBondContact O-N 3.03Å; M204-L219 HydrophobicContact CB-CD1 4.33Å; M204-L219 HydrophobicContact CE-CB 3.41Å; M204-L219 VanDerWaalsContact CE-CB 3.41Å; M204-L219 HydrophobicContact CE-CD1 4.38Å; M204-L219 HydrophobicContact SD-CB 4.04Å; M204-L219 HydrophobicContact SD-CD1 4.02Å; M204-E220 HydrophobicContact CE-CG 3.88Å; M204-I223 HydrophobicContact CE-CD1 3.54Å
205A96.6Very high95.7Very high37 Ų3761.3 Ų61.331%0.30635%0.347SS..Hα-helixtrans-60.1-40.1179.700000111.4Y201 S202 V208 A209Y201-A205 HydrophobicContact CD1-CB 3.96Å; S202-A205 PolarHBondContact O-N 3.22Å; S202-A205 VanDerWaalsContact O-N 3.1Å; S202-A205 WeakPolarHBondContact OG-CB 3.47Å; S202-A205 PolarHBondContact OG-N 3.02Å; A205-V208 PolarHBondContact O-N 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.15Å; A205-A209 PolarHBondContact O-N 2.84Å
206L96.4Very high95.7Very high25 Ų2561 Ų6113%0.13135%0.345CS..Hα-helixtrans-65.2-44.8176.1-172.660.9000111.7L172 V175 R176 S202 M204 V208 A209 L210L172-L206 HydrophobicContact CD2-CD2 4.02Å; V175-L206 HydrophobicContact CB-CD2 4.39Å; V175-L206 HydrophobicContact CG1-CB 4.03Å; V175-L206 HydrophobicContact CG1-CD2 3.99Å; V175-L206 HydrophobicContact CG1-CG 3.97Å; R176-L206 HydrophobicContact CB-CD2 4.14Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.1Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 PolarHBondContact O-N 3.08Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.17Å; L206-A209 PolarHBondContact O-N 3.25Å; L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.17Å
207A96.9Very high95.7Very high0 Ų062.1 Ų62.10%035%0.348CS..Hα-helixtrans-61.6-35.8176.400000112.3V175 P203 M204 G211 H212 L215 Q216 L219V175-A207 HydrophobicContact CG1-CB 3.91Å; P203-A207 WeakPolarHBondContact O-CB 3.36Å; P203-A207 PolarHBondContact O-N 2.71Å; M204-A207 PolarHBondContact O-N 3.44Å; A207-G211 PolarHBondContact O-N 3.37Å; A207-H212 PolarHBondContact O-N 3.49Å; A207-L215 HydrophobicContact CB-CD2 3.64Å; A207-Q216 HydrophobicContact CB-CG 3.87Å; A207-Q216 PolarHBondContact O-NE2 3.45Å; A207-L219 HydrophobicContact CB-CD1 3.92Å
208V96.9Very high95.8Very high84 Ų8462.2 Ų62.251%0.50935%0.348SS..Hα-helixtrans-69.2-51.1174.4173.20000111.2M204 A205 L206 L210 G211 Q216M204-V208 WeakPolarHBondContact O-CG2 3.32Å; M204-V208 PolarHBondContact O-N 3.03Å; A205-V208 PolarHBondContact O-N 3.26Å; L206-V208 VanDerWaalsContact C-N 3.27Å; L206-V208 PolarHBondContact O-N 3.17Å; V208-L210 VanDerWaalsContact C-N 3.27Å; V208-L210 PolarHBondContact O-N 3.27Å; V208-G211 PolarHBondContact O-N 3.28Å; V208-Q216 HydrophobicContact CG2-CG 4.1Å
209A96.4Very high95.8Very high62 Ų6257 Ų5751%0.51232%0.32SS..Hα-helixtrans-59.5-37-179.200000112.6Y201 A205 L206 G211Y201-A209 HydrophobicContact CD1-CB 4.34Å; Y201-A209 HydrophobicContact CE1-CB 3.84Å; A205-A209 WeakPolarHBondContact O-CB 3.15Å; A205-A209 PolarHBondContact O-N 2.84Å; L206-A209 PolarHBondContact O-N 3.25Å; A209-G211 VanDerWaalsContact C-N 3.34Å
210L95.5Very high96Very high81 Ų8156.9 Ų56.942%0.42431%0.309SS..THydrogen-bonded Turntrans-84.1-5177.3-61.7175.8000113.7R176 L206 V208 H212R176-L210 HydrophobicContact CG-CD1 4.39Å; L206-L210 HydrophobicContact CD1-CD1 3.88Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CB 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.3Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.17Å; V208-L210 VanDerWaalsContact C-N 3.27Å; V208-L210 PolarHBondContact O-N 3.27Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-CD2 3.38Å; L210-H212 PolarHBondContact O-N 3.06Å
211G96.3Very high96Very high44 Ų4459 Ų5945%0.45431%0.31SS..THydrogen-bonded Turntrans70.621.6179.900000114.6A207 V208 A209 K213A207-G211 PolarHBondContact O-N 3.37Å; V208-G211 PolarHBondContact O-N 3.28Å; A209-G211 VanDerWaalsContact C-N 3.34Å; G211-K213 PolarHBondContact O-N 3.2Å
212H96.7Very high95.9Very high34 Ų3455.7 Ų55.716%0.15730%0.298CS..  trans-75.167-179.3-63.9173.9000112.1V175 A207 L210 K214 L215 Q216V175-H212 PolarHBondContact O-CE1 3.29Å; V175-H212 PolarHBondContact O-ND1 2.93Å; A207-H212 PolarHBondContact O-N 3.49Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-CD2 3.38Å; L210-H212 PolarHBondContact O-N 3.06Å; H212-K214 VanDerWaalsContact C-N 3.31Å; H212-K214 PolarHBondContact O-N 3.07Å; H212-L215 HydrophobicContact CB-CB 3.84Å; H212-L215 WeakPolarHBondContact O-CA 3.35Å; H212-L215 WeakPolarHBondContact O-CB 3.46Å; H212-L215 PolarHBondContact O-N 3.25Å; H212-Q216 WeakPolarHBondContact O-CG 3.49Å; H212-Q216 PolarHBondContact O-N 2.91Å
213K95.6Very high95.6Very high159 Ų15956.6 Ų56.669%0.69130%0.301SS*.Hα-helixtrans-54.6-38.7-172.2-64.4-176.2-179.1-178.60114.8G211 L215 K217G211-K213 PolarHBondContact O-N 3.2Å; K213-L215 VanDerWaalsContact C-N 3.35Å; K213-K217 PolarHBondContact O-N 3.48Å
214K96.1Very high95.4Very high159 Ų15961.3 Ų61.369%0.69133%0.325SS*.Hα-helixtrans-67.8-39.6177.9-68.9-176.8-179.4178.10111.2I180 H212 K217 V218I180-K214 HydrophobicContact CD1-CB 3.64Å; I180-K214 HydrophobicContact CD1-CD 4.21Å; H212-K214 VanDerWaalsContact C-N 3.31Å; H212-K214 PolarHBondContact O-N 3.07Å; K214-K217 PolarHBondContact O-N 3.04Å; K214-V218 PolarHBondContact O-N 2.99Å
215L96.2Very high95.1Very high0 Ų066.1 Ų66.10%035%0.345CS..Hα-helixtrans-69.1-40.9178.4-163.3152.3000111V175 I180 V183 A207 H212 K213 K217 V218 L219V175-L215 HydrophobicContact CB-CD2 4.4Å; V175-L215 HydrophobicContact CG1-CD2 4.11Å; V175-L215 HydrophobicContact CG2-CD1 4.44Å; V175-L215 HydrophobicContact CG2-CD2 3.79Å; I180-L215 HydrophobicContact CG1-CB 4.35Å; V183-L215 HydrophobicContact CG2-CD1 4Å; V183-L215 HydrophobicContact CG2-CG 4.41Å; A207-L215 HydrophobicContact CB-CD2 3.64Å; H212-L215 HydrophobicContact CB-CB 3.84Å; H212-L215 WeakPolarHBondContact O-CA 3.35Å; H212-L215 WeakPolarHBondContact O-CB 3.46Å; H212-L215 PolarHBondContact O-N 3.25Å; K213-L215 VanDerWaalsContact C-N 3.35Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.48Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 PolarHBondContact O-N 3.19Å; L215-L219 HydrophobicContact CD2-CD1 3.59Å; L215-L219 HydrophobicContact CD2-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CG 3.79Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.97Å
216Q96.2Very high94.6Very high34 Ų3469.6 Ų69.616%0.15936%0.357CS..Hα-helixtrans-53.3-47.2173.5-68.9165.527.700111.3A207 V208 H212 V218 L219 E220A207-Q216 HydrophobicContact CB-CG 3.87Å; A207-Q216 PolarHBondContact O-NE2 3.45Å; V208-Q216 HydrophobicContact CG2-CG 4.1Å; H212-Q216 WeakPolarHBondContact O-CG 3.49Å; H212-Q216 PolarHBondContact O-N 2.91Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.08Å; Q216-L219 WeakPolarHBondContact O-CB 3.45Å; Q216-L219 PolarHBondContact O-N 2.96Å; Q216-L219 VanDerWaalsContact O-N 3.13Å; Q216-E220 VanDerWaalsContact O-CG 3.32Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.25Å
217K96.1Very high93.9Very high133 Ų13377.4 Ų77.458%0.57839%0.386SS*.Hα-helixtrans-58.2-41.8175.8-70.3-176.8177.4-168.70113K213 K214 L215 L219 E220 D221K213-K217 PolarHBondContact O-N 3.48Å; K214-K217 PolarHBondContact O-N 3.04Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.48Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.94Å; K217-E220 PolarHBondContact O-N 2.95Å; K217-D221 WeakPolarHBondContact O-CB 3.34Å; K217-D221 PolarHBondContact O-N 3.16Å
218V96.3Very high93.1Very high22 Ų2284.8 Ų84.813%0.13342%0.419CS..Hα-helixtrans-62.7-42.2176.6169.60000111.4I180 V183 E184 K214 L215 Q216 H222I180-V218 HydrophobicContact CG2-CG2 3.88Å; V183-V218 HydrophobicContact CG1-CG1 4.34Å; E184-V218 HydrophobicContact CG-CG1 3.58Å; E184-V218 HydrophobicContact CG-CG2 4.5Å; K214-V218 PolarHBondContact O-N 2.99Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 PolarHBondContact O-N 3.19Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.08Å; V218-H222 WeakPolarHBondContact O-CB 3.43Å; V218-H222 PolarHBondContact O-N 3.43Å
219L94.8Very high91.4Very high2 Ų286.5 Ų86.51%0.0143%0.431CS..Hα-helixtrans-64.9-44.4175.7-64.2179.7000111.5V183 L187 M204 A207 L215 Q216 K217 H222 I223V183-L219 HydrophobicContact CG1-CD2 3.87Å; L187-L219 HydrophobicContact CD1-CD2 3.79Å; M204-L219 HydrophobicContact CB-CD1 4.33Å; M204-L219 HydrophobicContact CE-CB 3.41Å; M204-L219 VanDerWaalsContact CE-CB 3.41Å; M204-L219 HydrophobicContact CE-CD1 4.38Å; M204-L219 HydrophobicContact SD-CB 4.04Å; M204-L219 HydrophobicContact SD-CD1 4.02Å; A207-L219 HydrophobicContact CB-CD1 3.92Å; L215-L219 HydrophobicContact CD2-CD1 3.59Å; L215-L219 HydrophobicContact CD2-CD2 4.43Å; L215-L219 HydrophobicContact CD2-CG 3.79Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.97Å; Q216-L219 WeakPolarHBondContact O-CB 3.45Å; Q216-L219 PolarHBondContact O-N 2.96Å; Q216-L219 VanDerWaalsContact O-N 3.13Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.94Å; L219-H222 PolarHBondContact O-N 3.26Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.48Å; L219-I223 PolarHBondContact O-N 3.14Å
220E94.7Very high89.6Confident92 Ų9293.6 Ų93.643%0.4347%0.469SS..Hα-helixtrans-59.6-48.3176.3-72.9168.8-17500111.5M204 Q216 K217 H222 I223 L224M204-E220 HydrophobicContact CE-CG 3.88Å; Q216-E220 VanDerWaalsContact O-CG 3.32Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.25Å; K217-E220 PolarHBondContact O-N 2.95Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 3.12Å; E220-I223 PolarHBondContact O-N 3.32Å; E220-L224 WeakPolarHBondContact O-CB 3.46Å; E220-L224 VanDerWaalsContact O-CG 3.31Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å
221D94.1Very high89.3Confident88 Ų8894.2 Ų94.247%0.47147%0.471SS..Hα-helixtrans-61.3-37.6178.5-74-20.9000111.4K217 K225K217-D221 WeakPolarHBondContact O-CB 3.34Å; K217-D221 PolarHBondContact O-N 3.16Å; D221-K225 VanDerWaalsContact O-CG 3.28Å; D221-K225 WeakPolarHBondContact O-CG 3.34Å; D221-K225 PolarHBondContact O-N 3.22Å
222H93.1Very high88.9Confident38 Ų3896.8 Ų96.818%0.17647%0.472CS..Hα-helixtrans-68.1-45.4174.9-169.488.2000111.8L187 M193 V218 L219 E220 L224 K225 L226L187-H222 HydrophobicContact CD1-CB 4.07Å; L187-H222 PolarHBondContact O-CE1 3.34Å; L187-H222 VanDerWaalsContact O-CE1 3.3Å; M193-H222 HydrophobicContact CE-CB 4.35Å; M193-H222 VanDerWaalsContact CE-CD2 3.41Å; M193-H222 WeakPolarHBondContact CE-CD2 3.44Å; V218-H222 WeakPolarHBondContact O-CB 3.43Å; V218-H222 PolarHBondContact O-N 3.43Å; L219-H222 PolarHBondContact O-N 3.26Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 3.12Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 2.75Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 3.15Å; H222-K225 VanDerWaalsContact O-N 3.15Å; H222-L226 PolarHBondContact O-N 2.97Å
223I90.9Very high88.5Confident48 Ų48100.3 Ų100.325%0.24649%0.489CS..Hα-helixtrans-57.2-46.7175.5-69.8163.2000110.5M193 M204 L219 E220 K225 L226 Y227M193-I223 HydrophobicContact CE-CG1 3.8Å; M193-I223 HydrophobicContact SD-CD1 3.97Å; M193-I223 HydrophobicContact SD-CG1 3.31Å; M193-I223 WeakPolarHBondContact SD-CG1 3.37Å; M204-I223 HydrophobicContact CE-CD1 3.54Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.48Å; L219-I223 PolarHBondContact O-N 3.14Å; E220-I223 PolarHBondContact O-N 3.32Å; I223-K225 PolarHBondContact O-N 3.42Å; I223-L226 WeakPolarHBondContact O-CB 3.3Å; I223-L226 PolarHBondContact O-N 2.84Å; I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.8Å; I223-Y227 WeakPolarHBondContact O-CD2 3.45Å; I223-Y227 PolarHBondContact O-N 3.26Å
224L91.1Very high88.1Confident98 Ų9896.9 Ų96.951%0.51348%0.477SS..Hα-helixtrans-61.2-33.3180-72.6172.7000112.7E220 H222 Y227 K228E220-L224 WeakPolarHBondContact O-CB 3.46Å; E220-L224 VanDerWaalsContact O-CG 3.31Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 2.75Å; L224-Y227 PolarHBondContact O-N 3.2Å; L224-K228 PolarHBondContact O-N 2.96Å
225K89.9Confident87.6Confident149 Ų14993 Ų9365%0.64846%0.464SS*.Hα-helixtrans-67-35.8173.4-70.8167-173.1174.10112.1D221 H222 I223 Y227 K228D221-K225 VanDerWaalsContact O-CG 3.28Å; D221-K225 WeakPolarHBondContact O-CG 3.34Å; D221-K225 PolarHBondContact O-N 3.22Å; H222-K225 WeakPolarHBondContact O-CB 3.38Å; H222-K225 PolarHBondContact O-N 3.15Å; H222-K225 VanDerWaalsContact O-N 3.15Å; I223-K225 PolarHBondContact O-N 3.42Å; K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 3.06Å; K225-K228 PolarHBondContact O-N 3.07Å
226L85.9Confident87Confident109 Ų10999.2 Ų99.257%0.57150%0.495SS*.Hα-helixtrans-66.4-33.9176.8-62.7175000112.5M193 H222 I223M193-L226 HydrophobicContact SD-CD1 4.34Å; H222-L226 PolarHBondContact O-N 2.97Å; I223-L226 WeakPolarHBondContact O-CB 3.3Å; I223-L226 PolarHBondContact O-N 2.84Å
227Y83Confident86.3Confident189 Ų189103.9 Ų103.974%0.74152%0.519SS*.Hα-helixtrans-85.6-15.3180-78.6-81.3000114.6I223 L224 K225 P229I223-Y227 HydrophobicContact CG2-CD2 3.86Å; I223-Y227 HydrophobicContact CG2-CE2 3.8Å; I223-Y227 WeakPolarHBondContact O-CD2 3.45Å; I223-Y227 PolarHBondContact O-N 3.26Å; L224-Y227 PolarHBondContact O-N 3.2Å; K225-Y227 VanDerWaalsContact C-N 3.33Å; K225-Y227 PolarHBondContact O-N 3.06Å; Y227-P229 VanDerWaalsContact O-CD 3.3Å; Y227-P229 WeakPolarHBondContact O-CD 3.21Å
228K79Confident85.6Confident156 Ų156101.6 Ų101.668%0.67851%0.514SS*.SBendtrans-114.581.2176.7-67.9-175.5-178.91790109.5L224 K225 T230L224-K228 PolarHBondContact O-N 2.96Å; K225-K228 PolarHBondContact O-N 3.07Å; K228-T230 PolarHBondContact O-N 3.38Å
229P60.8Low84.7Confident119 Ų119108.3 Ų108.377%0.77355%0.546SS*.  trans-59.4128.3175.225.2-31.4000108.7Y227Y227-P229 VanDerWaalsContact O-CD 3.3Å; Y227-P229 WeakPolarHBondContact O-CD 3.21Å
230T59.1Low83.8Confident211 Ų211117.9 Ų117.9100%1.29460%0.595SS**  trans-75.50179.5-25.70000110.6K228K228-T230 PolarHBondContact O-N 3.38Å

Retrieved 230 of 230 residues in 506.4 ms (Link to these results)