X6RKS3_HUMAN Loading...

Major prion protein

AlphaFold DB , UniProt , Accession X6RKS3, Species HUMAN (Homo sapiens, Human), Gene PRNP, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.3Low64.3Low243 Ų243123.7 Ų123.7100%1.19768%0.676SS**  050.10-64.9-159.8-75.300112.1
2A56.6Low64.8Low85 Ų85124.5 Ų124.570%0.70267%0.669SS**  trans-110.4-13.4179.200000113.6
3N59Low65.1Low130 Ų130122.1 Ų122.170%0.69566%0.661SS**Hα-helixtrans-86.1-23.5-175.1-77.6-29000114.5W7N3-W7 PolarHBondContact O-N 3.36Å
4L60.7Low65Low148 Ų148117.1 Ų117.178%0.77564%0.644SS**Hα-helixtrans-72.4-35.9179.3-99.295000112.9M8L4-M8 WeakPolarHBondContact O-CG 3.29Å; L4-M8 PolarHBondContact O-N 3.46Å
5G64.3Low64.8Low47 Ų47115.6 Ų115.649%0.48564%0.64SS.*Hα-helixtrans-68.1-35.8179.200000112.9M8 L9G5-M8 PolarHBondContact O-N 2.71Å; G5-L9 PolarHBondContact O-N 3.21Å
6C63.4Low64.4Low76 Ų76119.4 Ų119.451%0.51464%0.642SS.*Hα-helixtrans-67.6-39.7179.3-1620000111.7M8 L9 V10C6-M8 PolarHBondContact O-N 3.33Å; C6-L9 PolarHBondContact O-N 3.18Å; C6-V10 WeakPolarHBondContact O-CG2 3.33Å; C6-V10 PolarHBondContact O-N 3.11Å; C6-V10 VanDerWaalsContact O-N 3.16Å
7W69.6Low63.6Low186 Ų186117.1 Ų117.171%0.70564%0.637SS**Hα-helixtrans-65.8-37.1176.2-89.486.1000113.2N3 V10 L11N3-W7 PolarHBondContact O-N 3.36Å; W7-V10 PolarHBondContact O-N 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.87Å; W7-L11 VanDerWaalsContact O-N 3.13Å
8M71.2Confident63Low135 Ų135118.4 Ų118.467%0.66564%0.644SS**Hα-helixtrans-68.5-36.4177.4-67-63.1-107.700112.2L4 G5 C6 L11 F12L4-M8 WeakPolarHBondContact O-CG 3.29Å; L4-M8 PolarHBondContact O-N 3.46Å; G5-M8 PolarHBondContact O-N 2.71Å; C6-M8 PolarHBondContact O-N 3.33Å; M8-L11 PolarHBondContact O-N 3.41Å; M8-F12 WeakPolarHBondContact O-CB 3.45Å; M8-F12 PolarHBondContact O-N 3.03Å
9L68.9Low62.4Low120 Ų120120.1 Ų120.163%0.62865%0.651SS**Hα-helixtrans-66.9-39.2175.3-78.7167.1000112.3G5 C6 F12 V13G5-L9 PolarHBondContact O-N 3.21Å; C6-L9 PolarHBondContact O-N 3.18Å; L9-F12 PolarHBondContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.46Å
10V70.4Confident61.9Low91 Ų91116.9 Ų116.955%0.55265%0.647SS**Hα-helixtrans-64.5-42.3176.4174.10000111.2C6 W7 F12 V13 A14C6-V10 WeakPolarHBondContact O-CG2 3.33Å; C6-V10 PolarHBondContact O-N 3.11Å; C6-V10 VanDerWaalsContact O-N 3.16Å; W7-V10 PolarHBondContact O-N 3.33Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 2.79Å; V10-V13 PolarHBondContact O-N 3.19Å; V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.48Å
11L67.4Low61.5Low100 Ų100119.4 Ų119.452%0.52466%0.659SS.*Hα-helixtrans-65.2-36.5176-70.9172.3000112.3W7 M8 T15W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.87Å; W7-L11 VanDerWaalsContact O-N 3.13Å; M8-L11 PolarHBondContact O-N 3.41Å; L11-T15 PolarHBondContact O-N 2.74Å; L11-T15 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-OG1 3.21Å
12F70.3Confident61Low133 Ų133114.3 Ų114.358%0.58365%0.646SS**Hα-helixtrans-70.8-38178.4-151.6-93.3000112.2M8 L9 V10 T15 W16M8-F12 WeakPolarHBondContact O-CB 3.45Å; M8-F12 PolarHBondContact O-N 3.03Å; L9-F12 PolarHBondContact O-N 3.12Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 2.79Å; F12-T15 PolarHBondContact O-OG1 3.33Å; F12-W16 AromaticContact CE1-NE1 3.7Å; F12-W16 AromaticContact CZ-NE1 3.79Å
13V68.8Low60.4Low93 Ų93120 Ų12056%0.56466%0.655SS**Hα-helixtrans-72.9-37.5176.2175.50000111.4L9 V10 W16 S17L9-V13 WeakPolarHBondContact O-CG2 3.28Å; L9-V13 PolarHBondContact O-N 3.46Å; V10-V13 PolarHBondContact O-N 3.19Å; V13-W16 PolarHBondContact O-N 2.94Å; V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 3.31Å
14A63.3Low59.4Low52 Ų52123.2 Ų123.243%0.4366%0.662SS.*Hα-helixtrans-64.4-42.6177.900000112.4V10 W16 S17V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.48Å; A14-W16 VanDerWaalsContact C-N 3.31Å; A14-W16 PolarHBondContact O-N 2.78Å; A14-S17 PolarHBondContact O-N 3.32Å
15T61.2Low58.9Low95 Ų95128 Ų12858%0.58367%0.67SS**Hα-helixtrans-69.6-25.1-178.634.90000114.1L11 F12L11-T15 PolarHBondContact O-N 2.74Å; L11-T15 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-OG1 3.21Å; F12-T15 PolarHBondContact O-OG1 3.33Å
16W58.4Low57.7Low176 Ų176131.4 Ų131.467%0.66768%0.684SS**Hα-helixtrans-90.5-17.1177.3-76.975.6000113.6F12 V13 A14 D18F12-W16 AromaticContact CE1-NE1 3.7Å; F12-W16 AromaticContact CZ-NE1 3.79Å; V13-W16 PolarHBondContact O-N 2.94Å; A14-W16 VanDerWaalsContact C-N 3.31Å; A14-W16 PolarHBondContact O-N 2.78Å; W16-D18 VanDerWaalsContact C-N 3.29Å; W16-D18 PolarHBondContact O-N 2.93Å
17S52.2Low56.9Low81 Ų81137.5 Ų137.557%0.56670%0.701SS**Hα-helixtrans-74.7-18.4178.8-59.30000113.1V13 A14V13-S17 PolarHBondContact O-N 3.16Å; V13-S17 PolarHBondContact O-OG 3.31Å; A14-S17 PolarHBondContact O-N 3.32Å
18D52.4Low55.7Low141 Ų141134.5 Ų134.575%0.75471%0.706SS**THydrogen-bonded Turntrans-91.84.2-177.8-84.1-64000115.4W16 G20W16-D18 VanDerWaalsContact C-N 3.29Å; W16-D18 PolarHBondContact O-N 2.93Å; D18-G20 VanDerWaalsContact C-N 3.3Å
19L51.1Low54Low150 Ų150132.3 Ų132.379%0.78572%0.718SS**THydrogen-bonded Turntrans-92.45.4170.1-63.8177.7000113
20G53.6Low52.5Low56 Ų56129.6 Ų129.658%0.57772%0.719SS**SBendtrans-102.420.1-170.400000116.7D18D18-G20 VanDerWaalsContact C-N 3.3Å
21L51.7Low50.7Low169 Ų169136.2 Ų136.289%0.88574%0.735SS**  trans-166.685.7172.8-104.6137.1000113.6
22C46.5Very low49.2Very low136 Ų136139.7 Ų139.792%0.91975%0.753SS**  trans-156.370.3145.7-97.90000110.6K24C22-K24 PolarHBondContact O-N 2.95Å
23K44.6Very low47.8Very low206 Ų206139.3 Ų139.390%0.89676%0.762SS**  trans-73.7104.6159.5-173.3164-176.51700108.1
24K37.5Very low46.2Very low196 Ų196138.4 Ų138.485%0.85277%0.771SS**  trans-175103.4146.4-104.6173-170.8-176.70110.9C22C22-K24 PolarHBondContact O-N 2.95Å
25R50.5Low45Very low248 Ų248139.2 Ų139.294%0.93679%0.785SS**  trans-67.4141147.1-81-176.4175.4-175.7-0.5108
26P39.5Very low43.9Very low120 Ų120139.4 Ų139.478%0.77979%0.79SS**  trans-120.3113.7146.531.5-18.9000109.8
27K45.5Very low42.9Very low203 Ų203141.9 Ų141.988%0.88380%0.799SS**  trans-149.5147.7146.5-88.9-178.4-180168.70105.2
28P44.8Very low42.1Very low124 Ų124148.5 Ų148.581%0.80581%0.814SS**  cis-128.4143.53.635.2-17.3000112.9
29G35.5Very low41.4Very low89 Ų89148 Ų14892%0.91882%0.818SS**  trans-89.3112.5167.500000109.7
30G37.1Very low40.7Very low63 Ų63143.9 Ų143.965%0.64981%0.812SS**  trans-99.2168.6172.700000113.2
31W31.9Very low39.6Very low230 Ų230151 Ų15187%0.87183%0.83SS**  trans81.4101.8163.8-63.458.5000117.5
32N37.1Very low38.6Very low172 Ų172146.7 Ų146.792%0.9283%0.826SS**  trans-139.8104.3133.8-93.2-63.6000109.1
33T41.1Very low38.1Very low126 Ų126146 Ų14677%0.77382%0.823SS**  trans-94.9134.4167.1-47.40000107.1
34G35.2Very low38Very low73 Ų73142.4 Ų142.475%0.75382%0.821SS**  trans116.1117.1176.200000110.9
35G37.8Very low37.7Very low70 Ų70137 Ų13772%0.72282%0.82SS**  cis100.7120.136.400000108.4
36S37.3Very low36.7Very low98 Ų98128.9 Ų128.969%0.68581%0.814SS**  trans103.9141.3177.9-57.20000114.3
37R37.7Very low36.8Very low228 Ų228130.7 Ų130.786%0.8682%0.817SS**  cis-168.6146-1.7-108.4163.4-132.5-170.7-0.2106
38Y35.5Very low36.1Very low220 Ų220132.8 Ų132.886%0.86382%0.819SS**  trans-47.5149.8162.8-81.4-105.4000112.6
39P38.2Very low35.6Very low131 Ų131137.4 Ų137.485%0.85182%0.822SS**  trans-83.9108.215130.4-21.5000108.4
40G35.2Very low36.2Very low63 Ų63138.8 Ų138.865%0.64982%0.815SS**  trans-93.9156.5174.700000113
41Q32Very low36.9Very low207 Ų207140.4 Ų140.497%0.96781%0.814SS**  trans161.5128.7146.8-99173.63.800107.7
42G29.6Very low37.1Very low77 Ų77138.8 Ų138.879%0.79482%0.816SS**  cis-169.9154.6100000108.4
43S36.1Very low36.7Very low122 Ų122134.6 Ų134.685%0.85381%0.814SS**  trans-89.8148164.5-104.70000108.8
44P43.4Very low36.1Very low131 Ų131132.4 Ų132.485%0.85182%0.816SS**  -147.3138.892.635-16.7000115.7
45G31.1Very low36Very low82 Ų82132.7 Ų132.785%0.84582%0.82SS**  trans107131.3139.300000118.5
46G29.8Very low35.5Very low78 Ų78133 Ų13380%0.80482%0.823SS**  trans126.594.214300000117.5
47N41.6Very low35.3Very low158 Ų158140.7 Ų140.785%0.84584%0.837SS**  trans-53.2141.6159.2-750.6000112.3
48R30.1Very low34.9Very low246 Ų246133.6 Ų133.693%0.92884%0.835SS**  trans-178.7115.4138.9-97.2159.6-150.8-170.36.5112
49Y34.7Very low35.4Very low222 Ų222132.2 Ų132.287%0.87184%0.836SS**  trans-60.1167.1155.5-90.2-81.9000111
50P47.6Very low36Very low117 Ų117131 Ų13176%0.7683%0.828SS**  -154.3-156.356.744.2-18.7000115.3
51P51.8Low35.9Very low98 Ų98137 Ų13764%0.63684%0.839SS**  -138175.3-89.743.6-24.3000116.9
52Q35.4Very low35.8Very low195 Ų195130.8 Ų130.891%0.91183%0.83SS**  trans64.2132.4138-83.9176.6400125.2
53G28.8Very low35.9Very low84 Ų84131.3 Ų131.387%0.86684%0.835SS**  trans120.1125135.700000114.2
54G29.5Very low35.6Very low80 Ų80129 Ų12983%0.82583%0.831SS**  cis-177157.36.700000108.2
55G32.9Very low34.9Very low80 Ų80135.2 Ų135.283%0.82584%0.837SS**  trans-71.4165.3-173.900000115.7
56G26.9Very low34.9Very low76 Ų76134.6 Ų134.678%0.78483%0.831SS**  trans-167131.117400000110.8
57W32.6Very low35.6Very low259 Ų259139.4 Ų139.498%0.98183%0.833SS**  trans-109.8141.5-163.9-42.457.3000107.5
58G31.3Very low35.7Very low80 Ų80137.9 Ų137.983%0.82583%0.831SS**  trans130.5110.5160.600000117
59Q44Very low35.9Very low191 Ų191135 Ų13589%0.89383%0.828SS**  trans-93.1163.5139.1-66.9170.94.400106.4
60P52.3Low35.7Very low105 Ų105128.2 Ų128.268%0.68283%0.826SS**  cis-144.5-167.222.325.53.2000115.3
61H33.1Very low35.2Very low190 Ų190126.7 Ų126.788%0.8883%0.832SS**  trans76.7137.3170.9-58-102.1000116.2
62G29.3Very low34.2Very low76 Ų76125.2 Ų125.278%0.78483%0.834SS**  cis158.8155.2800000108.2
63G32.1Very low34.1Very low87 Ų87128.1 Ų128.190%0.89784%0.837SS**  trans97.7115.4162.900000116.7
64G29.3Very low34.4Very low73 Ų73127.7 Ų127.775%0.75383%0.833SS**  trans-109.2-177.2-17300000116.2
65W28.4Very low34.8Very low262 Ų262132.2 Ų132.299%0.99283%0.832SS**  trans169.2125.7157.746.3-9000109.3
66G31.9Very low35.4Very low70 Ų70134.6 Ų134.672%0.72283%0.833SS**  trans134.371.3166.200000117.3
67Q43.6Very low35.7Very low179 Ų179140 Ų14084%0.83684%0.838SS**  trans32.9127.9147.5-62.6155.623.900120
68P43.4Very low35.8Very low125 Ų125131.4 Ų131.481%0.81283%0.829SS**  -121.1143.2115.333.3-29.8000112.6
69H35.3Very low36Very low185 Ų185131.5 Ų131.586%0.85683%0.83SS**  trans-41.3134.5164.3-71.1-140.5000109.8
70G31.3Very low35.2Very low81 Ų81125.4 Ų125.484%0.83582%0.819SS**  cis119.685.526.700000108.5
71G35.2Very low34.6Very low85 Ų85133 Ų13388%0.87683%0.834SS**  trans146.8103.7173.600000109.4
72G30.9Very low34.6Very low66 Ų66126.7 Ų126.768%0.6882%0.821SS**  cis137.176.628.500000106.1G74G72-G74 PolarHBondContact O-N 3.31Å; G72-G74 VanDerWaalsContact O-N 3.16Å
73W35.3Very low35.1Very low256 Ų256132 Ų13297%0.9783%0.825SS**  trans-42.3105.4164.235.128.2000113
74G33.3Very low35.8Very low76 Ų76133.6 Ų133.678%0.78482%0.82SS**PPolyproline II helixtrans-96.6124.2166.700000110.6G72G72-G74 PolarHBondContact O-N 3.31Å; G72-G74 VanDerWaalsContact O-N 3.16Å
75Q38.4Very low35.9Very low175 Ų175139.7 Ų139.782%0.81883%0.828SS**PPolyproline II helixtrans-65.4161.8177-76.5153.7-2.700113.1H77Q75-H77 PolarHBondContact O-N 2.91Å
76P46Very low36.2Very low129 Ų129130.7 Ų130.784%0.83882%0.816SS**PPolyproline II helixtrans-81.1120.1-167.932.4-30.9000111G78P76-G78 PolarHBondContact O-N 3.25Å
77H32.5Very low36.3Very low190 Ų190131.4 Ų131.488%0.8882%0.824SS**  trans-84.8105.9166.1-90.3-102.1000109.5Q75Q75-H77 PolarHBondContact O-N 2.91Å
78G35.1Very low35.5Very low78 Ų78126.1 Ų126.180%0.80482%0.818SS**  trans-71.1142.5155.600000110.9P76P76-G78 PolarHBondContact O-N 3.25Å
79G34.7Very low35Very low82 Ų82132.4 Ų132.485%0.84583%0.826SS**  trans160.4111.7174.700000107.5
80G28.6Very low34.9Very low64 Ų64127 Ų12766%0.6682%0.819SS**  111.4736200000108.4G82G80-G82 PolarHBondContact O-N 3.14Å; G80-G82 VanDerWaalsContact O-N 3.11Å
81W38.7Very low35Very low265 Ų265132.9 Ų132.9100%1.00483%0.825SS**  trans-35105.2151.948.8-40.6000112.6
82G34.2Very low34.7Very low57 Ų57132.7 Ų132.759%0.58882%0.823SS**  trans144.4107.8163.900000115.2G80G80-G82 PolarHBondContact O-N 3.14Å; G80-G82 VanDerWaalsContact O-N 3.11Å
83Q39.2Very low34.8Very low187 Ų187133.7 Ų133.787%0.87483%0.834SS**  161.7144111.7-84.2156.42900113.2
84P46.1Very low34.6Very low121 Ų121124.6 Ų124.679%0.78682%0.82SS**  trans-89.9129.2-176.335.1-29.4000111G86P84-G86 PolarHBondContact O-N 3.22Å
85H32.9Very low35.3Very low200 Ų200128 Ų12893%0.92683%0.825SS**  trans-87.996.1166.9-102.4-106.5000109.7
86G33.7Very low35.6Very low73 Ų73128.7 Ų128.775%0.75383%0.828SS**  trans-86.4141.6156.800000110.3P84P84-G86 PolarHBondContact O-N 3.22Å
87G34.1Very low35.3Very low85 Ų85127.4 Ų127.488%0.87682%0.822SS**  trans159.3117.716000000114.6
88G26.5Very low35.9Very low69 Ų69127.6 Ų127.671%0.71182%0.823SS**  trans136.869.115400000119.1
89W33.5Very low36.2Very low257 Ų257132.5 Ų132.597%0.97382%0.818SS**  trans-36.7136153.648.4-60000116.8
90G32Very low36.8Very low70 Ų70135.6 Ų135.672%0.72282%0.815SS**  trans165.595.8160.300000118.4
91Q33.7Very low37.3Very low205 Ų205142.1 Ų142.196%0.95883%0.825SS**  trans85.7128.1148.8-55.6-16835.200122
92G29.1Very low37.7Very low81 Ų81134.2 Ų134.284%0.83581%0.808SS**  trans113.1106.2142.900000115.3
93G32.3Very low38.6Very low88 Ų88137 Ų13791%0.90782%0.818SS**  trans-68.6167-179.300000115.2
94G31.7Very low39.1Very low65 Ų65136 Ų13667%0.6781%0.811SS**  trans131.1101.317400000112.2H96G94-H96 VanDerWaalsContact C-N 3.33Å; G94-H96 PolarHBondContact O-N 2.98Å
95T47.5Very low39.8Very low147 Ų147135.8 Ų135.890%0.90281%0.81SS**SBendtrans-58.989.8165.1-4.60000109.6
96H44.5Very low41Very low190 Ų190135.2 Ų135.288%0.8880%0.804SS**  trans172.974.6155.3-98.1161.9000109.6G94 Q98G94-H96 VanDerWaalsContact C-N 3.33Å; G94-H96 PolarHBondContact O-N 2.98Å; H96-Q98 PolarHBondContact O-N 2.78Å
97S41.4Very low42.1Very low102 Ų102136.6 Ų136.671%0.71380%0.798SS**  trans-93.278.5172.1-48.40000109.1W99S97-W99 PolarHBondContact O-N 2.78Å
98Q43.5Very low43Very low193 Ų193139.5 Ų139.590%0.90279%0.794SS**  trans-56104164.1-173.8178.618.900107.4H96 N100H96-Q98 PolarHBondContact O-N 2.78Å; Q98-N100 PolarHBondContact O-N 2.95Å
99W42.2Very low44Very low181 Ų181142.1 Ų142.169%0.68679%0.789SS**PPolyproline II helixtrans-56136.4-168.8-103.382.2000112.4S97 K101 N171S97-W99 PolarHBondContact O-N 2.78Å; W99-K101 PolarHBondContact O-N 2.94Å; W99-N171 WeakPolarHBondContact CZ2-ND2 3.43Å
100N47.5Very low44.8Very low147 Ų147140.1 Ų140.179%0.78679%0.787SS**PPolyproline II helixtrans-49.2128.5175.2-75-44.6000110.7Q98 P102Q98-N100 PolarHBondContact O-N 2.95Å; N100-P102 WeakPolarHBondContact O-CD 3.44Å
101K39Very low45.7Very low201 Ų201144 Ų14487%0.87479%0.787SS**PPolyproline II helixtrans-47.4120.7-175.7-69.4155.9179.9170.10111.4W99W99-K101 PolarHBondContact O-N 2.94Å
102P47Very low46.2Very low99 Ų99143.7 Ų143.764%0.64379%0.787SS**PPolyproline II helixtrans-58.7145.4162.7-1830.3000109.1N100 K104N100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-K104 PolarHBondContact O-N 3.15Å
103S54Low47.2Very low115 Ų115144.3 Ų144.380%0.80479%0.785SS**SBendtrans-47.6128.1166.748.30000109
104K49Very low47.3Very low168 Ų168144 Ų14473%0.7378%0.781SS**  trans-31.7116.6-171.4-69.7176.1-178.6176.60112.1P102 K106P102-K104 PolarHBondContact O-N 3.15Å; K104-K106 PolarHBondContact O-N 3.35Å
105P61Low47.9Very low116 Ų116144.9 Ų144.975%0.75378%0.782SS**SBendtrans-70.3119.4174.727.8-30.7000108.1
106K58.6Low47.4Very low187 Ų187142.7 Ų142.781%0.81378%0.779SS**SBendtrans78.8142.6179.3-61.1166.9179168.50114.9K104K104-K106 PolarHBondContact O-N 3.35Å
107T57Low47Very low102 Ų102138.4 Ų138.463%0.62678%0.777SS**  trans-49.9155.8171.253.60000109.7M109T107-M109 PolarHBondContact O-N 2.95Å
108N53Low46.7Very low146 Ų146137.6 Ų137.678%0.78178%0.776SS**SBendtrans-61.913.3-174.6-64.5-70.6000115.2
109M46.7Very low46.2Very low124 Ų124132.1 Ų132.161%0.61177%0.772SS**  trans-100.7100173.7-59-170.5-6400109T107 H111T107-M109 PolarHBondContact O-N 2.95Å; M109-H111 PolarHBondContact O-N 3.36Å
110K49.4Very low46.3Very low216 Ų216126.1 Ų126.194%0.93976%0.761SS**  trans-65.6101.6169.7-73.1178.7178.2-179.40108.4
111H50.9Low46Very low152 Ų152125.8 Ų125.870%0.70476%0.764SS**  trans-76.1130.8167.4-76.3-82.2000109.4M109 A113M109-H111 PolarHBondContact O-N 3.36Å; H111-A113 PolarHBondContact O-N 3.48Å
112M44.2Very low46.4Very low197 Ų197117.6 Ų117.697%0.9773%0.73SS**  trans-69.2101.3166.6-73.2-172.7-176.700108
113A51.3Low46.7Very low95 Ų95115.3 Ų115.379%0.78573%0.725SS**  trans-89.3104.7167.700000107.6H111H111-A113 PolarHBondContact O-N 3.48Å
114G34.8Very low47Very low81 Ų81113.2 Ų113.284%0.83572%0.721SS**  trans-84.2110.9168.700000109.1
115A43.4Very low47.7Very low83 Ų83107.3 Ų107.369%0.68670%0.697SS**  trans-96.5118.1166.700000107.9A117A115-A117 PolarHBondContact O-N 3.13Å
116A36.5Very low48.2Very low101 Ų101104.6 Ų104.684%0.83569%0.69SS**  trans-73.1106.6161.900000106.3A118A116-A118 PolarHBondContact O-N 3.29Å
117A37.5Very low49.2Very low101 Ų10198.3 Ų98.384%0.83568%0.679SS**  trans-66.787.7171.100000108A115 G119A115-A117 PolarHBondContact O-N 3.13Å; A117-G119 PolarHBondContact O-N 3.43Å
118A35.3Very low50.4Low85 Ų8595.2 Ų95.270%0.70266%0.656SS**  trans-68.596.7159.100000105.3A116 A120A116-A118 PolarHBondContact O-N 3.29Å; A118-A120 PolarHBondContact O-N 2.98Å
119G32.9Very low52Low78 Ų7892.1 Ų92.180%0.80464%0.638SS**  trans-62.975.5170.500000109.4A117 V121A117-G119 PolarHBondContact O-N 3.43Å; G119-V121 PolarHBondContact O-N 2.96Å
120A42.5Very low53.9Low55 Ų5589 Ų8946%0.45562%0.623SS.*  trans-78.5111.516700000105.6A118 V122A118-A120 PolarHBondContact O-N 2.98Å; A120-V122 HydrophobicContact CB-CG2 3.59Å; A120-V122 WeakPolarHBondContact O-CG2 3.37Å; A120-V122 PolarHBondContact O-N 3.47Å
121V41.6Very low55.6Low140 Ų14078.9 Ų78.985%0.84858%0.58SS**  trans-66.386.4163.2-176.10000105.6G119 G123G119-V121 PolarHBondContact O-N 2.96Å; V121-G123 PolarHBondContact O-N 2.82Å
122V48Very low57.2Low28 Ų2875.2 Ų75.217%0.1757%0.572CS.*  trans-82.9114.2-178.7-179.70000108.4A120 G124 L125 L130 Y162A120-V122 HydrophobicContact CB-CG2 3.59Å; A120-V122 WeakPolarHBondContact O-CG2 3.37Å; A120-V122 PolarHBondContact O-N 3.47Å; V122-G124 VanDerWaalsContact C-N 3.26Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.08Å; V122-L125 PolarHBondContact O-N 2.79Å; V122-L125 VanDerWaalsContact O-N 3.15Å; V122-L130 HydrophobicContact CG2-CD2 4.43Å; V122-Y162 HydrophobicContact CB-CD1 4.34Å; V122-Y162 HydrophobicContact CB-CE1 3.33Å; V122-Y162 HydrophobicContact CG1-CD1 4.41Å; V122-Y162 HydrophobicContact CG1-CE1 3.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.21Å; V122-Y162 WeakPolarHBondContact CG1-OH 2.9Å; V122-Y162 HydrophobicContact CG2-CE1 3.48Å; V122-Y162 VanDerWaalsContact CG2-CE1 3.48Å; V122-Y162 WeakPolarHBondContact CG2-OH 3.29Å
123G53.4Low59.1Low52 Ų5269 Ų6954%0.53655%0.552SS.*THydrogen-bonded Turntrans62.225.1160.800000115.8V121 L125V121-G123 PolarHBondContact O-N 2.82Å; G123-L125 PolarHBondContact O-N 3.14Å
124G60.4Low60.7Low70 Ų7066.1 Ų66.172%0.72252%0.522SS*.THydrogen-bonded Turntrans68.112.1-179.300000114.5V122 G126V122-G124 VanDerWaalsContact C-N 3.26Å; V122-G124 PolarHBondContact O-N 3.16Å; V122-G124 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 3.22Å; G124-G126 VanDerWaalsContact O-N 3.12Å
125L63.8Low63Low44 Ų4467.8 Ų67.823%0.2352%0.521CS..  trans-80.491.8176.1-76.8172000110.2V122 G123 G127 Y128 I182 Q186V122-L125 PolarHBondContact O-N 2.79Å; V122-L125 VanDerWaalsContact O-N 3.15Å; G123-L125 PolarHBondContact O-N 3.14Å; L125-G127 PolarHBondContact O-N 3Å; L125-Y128 HydrophobicContact CB-CD2 3.78Å; L125-Y128 HydrophobicContact CB-CG 4.37Å; L125-Y128 HydrophobicContact CD2-CD2 4.23Å; L125-Y128 HydrophobicContact CD2-CE2 4.15Å; L125-Y128 HydrophobicContact CG-CD2 4.42Å; L125-I182 HydrophobicContact CD1-CG2 3.43Å; L125-I182 VanDerWaalsContact CD1-CG2 3.43Å; L125-I182 HydrophobicContact CD2-CD1 4.25Å; L125-Q186 HydrophobicContact CD1-CG 3.2Å; L125-Q186 HydrophobicContact CG-CG 4.33Å
126G71.3Confident64.9Low59 Ų5967.7 Ų67.761%0.60850%0.503SS*.THydrogen-bonded Turntrans-55.1130.5172.100000111.9G124 Y128 R164G124-G126 PolarHBondContact O-N 3.22Å; G124-G126 VanDerWaalsContact O-N 3.12Å; G126-Y128 WeakPolarHBondContact O-CD2 3.43Å; G126-Y128 PolarHBondContact O-N 3.4Å; G126-R164 PolarHBondContact O-NH2 2.74Å
127G78.9Confident67Low55 Ų5564.4 Ų64.457%0.56747%0.473SS*.THydrogen-bonded Turntrans83.9-5.5171.900000116.5L125L125-G127 PolarHBondContact O-N 3Å
128Y82.9Confident69.2Low37 Ų3764.1 Ų64.115%0.14546%0.457CS..PPolyproline II helixtrans-89.9134.2176.1-68.9-92.8000111.2L125 G126 R164 D178 I182L125-Y128 HydrophobicContact CB-CD2 3.78Å; L125-Y128 HydrophobicContact CB-CG 4.37Å; L125-Y128 HydrophobicContact CD2-CD2 4.23Å; L125-Y128 HydrophobicContact CD2-CE2 4.15Å; L125-Y128 HydrophobicContact CG-CD2 4.42Å; G126-Y128 WeakPolarHBondContact O-CD2 3.43Å; G126-Y128 PolarHBondContact O-N 3.4Å; Y128-R164 HydrophobicContact CD1-CG 3.51Å; Y128-R164 HydrophobicContact CD2-CG 4.41Å; Y128-R164 HydrophobicContact CE1-CG 3.57Å; Y128-R164 HydrophobicContact CG-CG 3.96Å; Y128-D178 PolarHBondContact OH-OD2 3.43Å; Y128-D178 VanDerWaalsContact OH-OD2 3.1Å; Y128-I182 HydrophobicContact CD1-CG1 4.44Å; Y128-I182 HydrophobicContact CD1-CG2 3.93Å; Y128-I182 HydrophobicContact CE1-CB 4.16Å; Y128-I182 HydrophobicContact CE1-CD1 4.29Å; Y128-I182 HydrophobicContact CE1-CG1 3.66Å; Y128-I182 HydrophobicContact CE1-CG2 4Å; Y128-I182 HydrophobicContact CE2-CD1 4.33Å; Y128-I182 HydrophobicContact CG-CG2 4.3Å
129M85.8Confident71.5Confident82 Ų8261 Ų6140%0.40443%0.428SS..EExtended strand (participates in β ladder)trans-101.5150.2173.3-64177.7-68.100109.7Y162 Y163 P165M129-Y162 WeakPolarHBondContact O-CA 3.4Å; M129-Y163 HydrophobicContact CB-CE1 4.21Å; M129-Y163 HydrophobicContact CE-CD2 4.44Å; M129-Y163 HydrophobicContact CE-CE2 3.87Å; M129-Y163 PolarHBondContact N-O 2.64Å; M129-Y163 PolarHBondContact O-N 3.49Å; M129-P165 HydrophobicContact CE-CB 4.47Å; M129-P165 HydrophobicContact CE-CG 3.59Å
130L87.2Confident74Confident57 Ų5763.7 Ų63.730%0.29842%0.419SS..EExtended strand (participates in β ladder)trans-94.1123.2173.5-173.754.4000109.6V122 Q160 Y162V122-L130 HydrophobicContact CG2-CD2 4.43Å; L130-Q160 HydrophobicContact CD1-CB 3.56Å; L130-Q160 HydrophobicContact CG-CB 4.16Å; L130-Q160 VanDerWaalsContact CG-OE1 3.31Å; L130-Y162 HydrophobicContact CB-CD1 4.36Å; L130-Y162 HydrophobicContact CB-CE1 3.94Å; L130-Y162 HydrophobicContact CD1-CD1 4.03Å; L130-Y162 HydrophobicContact CD1-CD2 4.22Å; L130-Y162 HydrophobicContact CD1-CE1 3.59Å; L130-Y162 HydrophobicContact CD1-CE2 3.87Å; L130-Y162 HydrophobicContact CD1-CG 4.31Å; L130-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y162 HydrophobicContact CD2-CE1 4.34Å; L130-Y162 HydrophobicContact CG-CE1 4.16Å
131G85.6Confident76Confident4 Ų462.7 Ų62.74%0.04141%0.405CS..PPolyproline II helixtrans-68.1169.8177.200000113.4Q160 V161G131-Q160 PolarHBondContact O-OE1 3.31Å; G131-V161 PolarHBondContact N-O 2.99Å
132S84.3Confident77.9Confident76 Ų7660 Ų6053%0.53141%0.405SS..PPolyproline II helixtrans-66.1150.5175.5-65.20000110.8M134S132-M134 PolarHBondContact O-N 2.75Å; S132-M134 VanDerWaalsContact O-N 3.14Å
133A84.3Confident79.8Confident66 Ų6660.5 Ų60.555%0.54541%0.41SS..PPolyproline II helixtrans-64116.9173.300000109.9N159 Q160A133-N159 CarbonylContact C-O 3.58Å; A133-N159 WeakPolarHBondContact CA-O 3.49Å; A133-Q160 VanDerWaalsContact CA-CG 3.43Å; A133-Q160 HydrophobicContact CB-CG 3.81Å
134M85.1Confident81.5Confident34 Ų3465 Ų6517%0.16742%0.422CS..PPolyproline II helixtrans-97.4152178.2-71.9178.6-100.600110.3S132 R136 N159 V161 M213 T216 Q217S132-M134 PolarHBondContact O-N 2.75Å; S132-M134 VanDerWaalsContact O-N 3.14Å; M134-R136 PolarHBondContact O-N 3.08Å; M134-N159 PolarHBondContact N-O 3.2Å; M134-V161 HydrophobicContact CE-CG1 4.44Å; M134-V161 HydrophobicContact CE-CG2 3.7Å; M134-M213 HydrophobicContact CB-CG 4.38Å; M134-M213 HydrophobicContact CB-SD 4.37Å; M134-M213 HydrophobicContact CE-CB 3.86Å; M134-M213 WeakPolarHBondContact CE-O 3.28Å; M134-M213 HydrophobicContact SD-CB 4.07Å; M134-M213 HydrophobicContact SD-CG 4.35Å; M134-T216 HydrophobicContact SD-CG2 3.98Å; M134-Q217 HydrophobicContact CE-CB 4.25Å
135S83.4Confident82.8Confident117 Ų11769.4 Ų69.482%0.81842%0.418SS*.PPolyproline II helixtrans-66.5133.8167.8-67.40000108.6P137S135-P137 WeakPolarHBondContact O-CD 3.41Å
136R82.1Confident84Confident80 Ų8068.9 Ų68.930%0.30241%0.414SS..PPolyproline II helixtrans-63.1123.1-177.6-68.1-173.3178.1129.1-14.5110M134 M154 H155 Y157M134-R136 PolarHBondContact O-N 3.08Å; R136-M154 VanDerWaalsContact CD-O 3.24Å; R136-M154 WeakPolarHBondContact CD-O 3.39Å; R136-M154 PolarHBondContact NE-O 2.79Å; R136-M154 PolarHBondContact NH1-O 3.43Å; R136-M154 PolarHBondContact NH2-O 3.28Å; R136-H155 VanDerWaalsContact NH1-CA 3.31Å; R136-H155 VanDerWaalsContact NH2-C 3.31Å; R136-H155 PolarHBondContact NH2-O 2.82Å; R136-Y157 PolarHBondContact NE-O 3.43Å; R136-Y157 PolarHBondContact NH2-O 2.75Å
137P81.1Confident84.8Confident32 Ų3267.2 Ų67.221%0.20839%0.391CS..PPolyproline II helixtrans-66.1140.1179.426.1-33.5000110.2S135 I139 Y150 V209 Q212 M213S135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-I139 HydrophobicContact CB-CD1 3.91Å; P137-I139 HydrophobicContact CG-CD1 4.09Å; P137-I139 PolarHBondContact O-N 3.31Å; P137-Y150 WeakPolarHBondContact O-CE1 3.24Å; P137-Y150 PolarHBondContact O-OH 3.46Å; P137-V209 HydrophobicContact CG-CG1 3.89Å; P137-Q212 HydrophobicContact CB-CB 4.24Å; P137-Q212 HydrophobicContact CG-CB 3.96Å; P137-M213 HydrophobicContact CG-CG 4.38Å
138I82.8Confident85.3Confident96 Ų9672.3 Ų72.349%0.49239%0.393SS..  trans-81.2111.5169.2-58.8-59.8000107
139I84.4Confident85.7Confident20 Ų2072.6 Ų72.610%0.10339%0.394CS..  trans-100.1133.3179.1-52.7-58.7000108.6P137 F141 R208 V209 Q212P137-I139 HydrophobicContact CB-CD1 3.91Å; P137-I139 HydrophobicContact CG-CD1 4.09Å; P137-I139 PolarHBondContact O-N 3.31Å; I139-F141 HydrophobicContact CB-CD2 4.32Å; I139-F141 HydrophobicContact CB-CE2 3.64Å; I139-F141 HydrophobicContact CB-CZ 3.83Å; I139-F141 HydrophobicContact CG2-CD1 4.3Å; I139-F141 HydrophobicContact CG2-CD2 4.07Å; I139-F141 HydrophobicContact CG2-CE1 3.94Å; I139-F141 HydrophobicContact CG2-CE2 3.67Å; I139-F141 HydrophobicContact CG2-CG 4.37Å; I139-F141 HydrophobicContact CG2-CZ 3.59Å; I139-R208 HydrophobicContact CG2-CB 4.22Å; I139-V209 HydrophobicContact CG1-CG2 3.76Å; I139-Q212 HydrophobicContact CD1-CB 4.37Å; I139-Q212 HydrophobicContact CD1-CG 3.59Å
140H85.5Confident85.9Confident133 Ų13368.7 Ų68.762%0.61638%0.375SS*.  trans-96.3117.2168.5-68-62.5000108.9D147H140-D147 WeakPolarHBondContact CA-OD1 3.37Å; H140-D147 IonicContact CE1-OD2 3.57Å; H140-D147 IonicContact CG-OD2 3.92Å; H140-D147 IonicContact ND1-OD2 2.74Å; H140-D147 PolarHBondContact ND1-OD2 3.37Å
141F83.4Confident86Confident35 Ų3572.9 Ų72.915%0.15439%0.387CS..  trans-92.2-5.7-178.8-67.7-86.7000112.7I139 S143 E146 D147 Y150 M205 R208I139-F141 HydrophobicContact CB-CD2 4.32Å; I139-F141 HydrophobicContact CB-CE2 3.64Å; I139-F141 HydrophobicContact CB-CZ 3.83Å; I139-F141 HydrophobicContact CG2-CD1 4.3Å; I139-F141 HydrophobicContact CG2-CD2 4.07Å; I139-F141 HydrophobicContact CG2-CE1 3.94Å; I139-F141 HydrophobicContact CG2-CE2 3.67Å; I139-F141 HydrophobicContact CG2-CG 4.37Å; I139-F141 HydrophobicContact CG2-CZ 3.59Å; F141-S143 VanDerWaalsContact C-N 3.32Å; F141-E146 HydrophobicContact CB-CB 3.54Å; F141-E146 HydrophobicContact CB-CG 4.35Å; F141-E146 HydrophobicContact CD2-CB 4.35Å; F141-E146 HydrophobicContact CG-CB 4.06Å; F141-D147 PolarHBondContact N-OD1 2.97Å; F141-Y150 HydrophobicContact CE2-CD1 4.19Å; F141-Y150 AromaticContact CE2-CD2 3.92Å; F141-Y150 HydrophobicContact CE2-CD2 3.92Å; F141-Y150 AromaticContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CZ-CD2 4.28Å; F141-Y150 HydrophobicContact CZ-CG 4.46Å; F141-M205 HydrophobicContact CE1-CB 4.33Å; F141-M205 HydrophobicContact CE1-CG 3.9Å; F141-M205 HydrophobicContact CE2-CG 4.17Å; F141-M205 HydrophobicContact CZ-CB 3.91Å; F141-M205 HydrophobicContact CZ-CG 3.67Å; F141-R208 HydrophobicContact CE1-CB 3.91Å; F141-R208 HydrophobicContact CE1-CG 3.79Å; F141-R208 HydrophobicContact CZ-CB 4.24Å
142G82.8Confident86.2Confident82 Ų8278.2 Ų78.285%0.84541%0.411SS*.SBendtrans84.85.9178.100000113.9
143S88.2Confident86.5Confident40 Ų4075.9 Ų75.928%0.2839%0.393SS..SBendtrans-132.2136.216975.10000110.7F141 Y145 E146 D147F141-S143 VanDerWaalsContact C-N 3.32Å; S143-Y145 PolarHBondContact O-N 3.14Å; S143-E146 PolarHBondContact O-N 2.74Å; S143-E146 WeakPolarHBondContact OG-CB 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; S143-D147 PolarHBondContact O-N 3.5Å
144D88Confident86.6Confident145 Ų14575.6 Ų75.678%0.77538%0.381SS*.Hα-helixtrans-59.7-29.1178.5-66.7-64.2000112.3R148D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 PolarHBondContact O-N 2.92Å; D144-R148 VanDerWaalsContact O-N 3.11Å
145Y88.4Confident86.8Confident163 Ų16379.7 Ų79.764%0.63940%0.399SS*.Hα-helixtrans-69.3-50.7176.2178.1-95.3000111.9S143 D147 R148 Y149S143-Y145 PolarHBondContact O-N 3.14Å; Y145-D147 VanDerWaalsContact C-N 3.34Å; Y145-D147 PolarHBondContact O-N 2.83Å; Y145-R148 PolarHBondContact O-N 3.17Å; Y145-Y149 VanDerWaalsContact O-CB 3.28Å; Y145-Y149 WeakPolarHBondContact O-CB 3.34Å; Y145-Y149 PolarHBondContact O-N 2.92Å
146E88.6Confident87.1Confident33 Ų3376.6 Ų76.615%0.15437%0.37CS..Hα-helixtrans-65.3-38.8178.8-74.2172.7118.600111.3F141 S143 R148 Y149 Y150 K204 M205F141-E146 HydrophobicContact CB-CB 3.54Å; F141-E146 HydrophobicContact CB-CG 4.35Å; F141-E146 HydrophobicContact CD2-CB 4.35Å; F141-E146 HydrophobicContact CG-CB 4.06Å; S143-E146 PolarHBondContact O-N 2.74Å; S143-E146 WeakPolarHBondContact OG-CB 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.34Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.88Å; E146-Y149 PolarHBondContact O-N 3.16Å; E146-Y150 WeakPolarHBondContact O-CB 3.16Å; E146-Y150 PolarHBondContact O-N 3.46Å; E146-K204 IonicContact OE1-NZ 2.95Å; E146-K204 PolarHBondContact OE1-NZ 3Å; E146-M205 HydrophobicContact CB-CE 3.71Å; E146-M205 HydrophobicContact CG-CE 3.93Å; E146-M205 VanDerWaalsContact O-CE 3.3Å; E146-M205 WeakPolarHBondContact O-CE 3.37Å
147D88.6Confident87.4Confident24 Ų2472.9 Ų72.913%0.12836%0.356CS..Hα-helixtrans-63.3-40.3176.8-83.626.2000111.9H140 F141 S143 Y145 R151H140-D147 WeakPolarHBondContact CA-OD1 3.37Å; H140-D147 IonicContact CE1-OD2 3.57Å; H140-D147 IonicContact CG-OD2 3.92Å; H140-D147 IonicContact ND1-OD2 2.74Å; H140-D147 PolarHBondContact ND1-OD2 3.37Å; F141-D147 PolarHBondContact N-OD1 2.97Å; S143-D147 PolarHBondContact O-N 3.5Å; Y145-D147 VanDerWaalsContact C-N 3.34Å; Y145-D147 PolarHBondContact O-N 2.83Å; D147-R151 VanDerWaalsContact O-CG 3.32Å; D147-R151 WeakPolarHBondContact O-CG 3.18Å; D147-R151 PolarHBondContact O-N 3.24Å
148R89.8Confident87.8Confident163 Ų16371.8 Ų71.862%0.61535%0.348SS*.Hα-helixtrans-67.6-50.2174.8-178.4179.4-61.4161.13.5111.2D144 Y145 E146 Y150 R151 E152D144-R148 WeakPolarHBondContact O-CB 3.37Å; D144-R148 PolarHBondContact O-N 2.92Å; D144-R148 VanDerWaalsContact O-N 3.11Å; Y145-R148 PolarHBondContact O-N 3.17Å; E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 2.88Å; R148-Y150 PolarHBondContact O-N 3.13Å; R148-R151 PolarHBondContact O-N 2.89Å; R148-R151 VanDerWaalsContact O-N 3.12Å; R148-E152 VanDerWaalsContact CG-OE1 3.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.45Å; R148-E152 PolarHBondContact O-N 2.88Å
149Y90Very high88.1Confident42 Ų4270.4 Ų70.417%0.16534%0.342CS..Hα-helixtrans-58.1-41.4179.6-177.9-79000111.1Y145 E146 E152 N153 T199 T201 D202 M205Y145-Y149 VanDerWaalsContact O-CB 3.28Å; Y145-Y149 WeakPolarHBondContact O-CB 3.34Å; Y145-Y149 PolarHBondContact O-N 2.92Å; E146-Y149 PolarHBondContact O-N 3.16Å; Y149-E152 PolarHBondContact O-N 3.42Å; Y149-N153 HydrophobicContact CD1-CB 4.48Å; Y149-N153 HydrophobicContact CE1-CB 4.21Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.45Å; Y149-N153 WeakPolarHBondContact O-CB 3.46Å; Y149-N153 PolarHBondContact O-N 3.45Å; Y149-N153 PolarHBondContact O-ND2 2.71Å; Y149-T199 PolarHBondContact OH-OG1 3.2Å; Y149-T201 HydrophobicContact CD1-CG2 4.12Å; Y149-T201 HydrophobicContact CE1-CG2 3.86Å; Y149-D202 PolarHBondContact OH-OD1 3Å; Y149-D202 PolarHBondContact OH-OD2 3.31Å; Y149-M205 HydrophobicContact CD1-CE 3.51Å; Y149-M205 HydrophobicContact CD1-SD 3.45Å; Y149-M205 WeakPolarHBondContact CD1-SD 3.17Å; Y149-M205 HydrophobicContact CE1-CE 4.3Å; Y149-M205 HydrophobicContact CE1-SD 3.97Å; Y149-M205 HydrophobicContact CG-CE 4.16Å
150Y89.9Confident88.4Confident1 Ų172.4 Ų72.40%0.00435%0.351CS..Hα-helixtrans-58.7-49.5175174.9-112.8000111.5P137 F141 E146 R148 E152 N153 M154 Y157 M205 V209P137-Y150 WeakPolarHBondContact O-CE1 3.24Å; P137-Y150 PolarHBondContact O-OH 3.46Å; F141-Y150 HydrophobicContact CE2-CD1 4.19Å; F141-Y150 AromaticContact CE2-CD2 3.92Å; F141-Y150 HydrophobicContact CE2-CD2 3.92Å; F141-Y150 AromaticContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CE2-CG 3.66Å; F141-Y150 HydrophobicContact CZ-CD2 4.28Å; F141-Y150 HydrophobicContact CZ-CG 4.46Å; E146-Y150 WeakPolarHBondContact O-CB 3.16Å; E146-Y150 PolarHBondContact O-N 3.46Å; R148-Y150 PolarHBondContact O-N 3.13Å; Y150-E152 VanDerWaalsContact C-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.16Å; Y150-N153 PolarHBondContact O-N 3.42Å; Y150-M154 HydrophobicContact CD2-CB 4.43Å; Y150-M154 HydrophobicContact CE1-CB 4.44Å; Y150-M154 HydrophobicContact CE2-CB 3.88Å; Y150-M154 WeakPolarHBondContact O-CA 3.17Å; Y150-M154 VanDerWaalsContact O-CB 3.23Å; Y150-M154 WeakPolarHBondContact O-CB 3.31Å; Y150-M154 PolarHBondContact O-N 2.74Å; Y150-Y157 HydrophobicContact CD2-CD2 4.19Å; Y150-Y157 AromaticContact CD2-CE2 3.74Å; Y150-Y157 HydrophobicContact CD2-CE2 3.74Å; Y150-Y157 AromaticContact CE2-CD2 3.77Å; Y150-Y157 HydrophobicContact CE2-CD2 3.77Å; Y150-Y157 AromaticContact CE2-CE2 3.82Å; Y150-Y157 HydrophobicContact CE2-CE2 3.82Å; Y150-M205 HydrophobicContact CD2-CB 4.31Å; Y150-M205 HydrophobicContact CD2-SD 4.19Å; Y150-V209 HydrophobicContact CD2-CG2 4.22Å; Y150-V209 HydrophobicContact CE2-CG2 3.28Å; Y150-V209 WeakPolarHBondContact OH-CG2 3.3Å
151R89.2Confident88.7Confident144 Ų14466 Ų6654%0.54332%0.321SS..Hα-helixtrans-62.1-34.6179.4-71.9174.3-170.9-160.14112.8D147 R148D147-R151 VanDerWaalsContact O-CG 3.32Å; D147-R151 WeakPolarHBondContact O-CG 3.18Å; D147-R151 PolarHBondContact O-N 3.24Å; R148-R151 PolarHBondContact O-N 2.89Å; R148-R151 VanDerWaalsContact O-N 3.12Å
152E90.3Very high89Confident117 Ų11766 Ų6655%0.54732%0.32SS..Hα-helixtrans-72-39.1177.4-70.2171.8-172.200111.4R148 Y149 Y150 H155R148-E152 VanDerWaalsContact CG-OE1 3.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.45Å; R148-E152 PolarHBondContact O-N 2.88Å; Y149-E152 PolarHBondContact O-N 3.42Å; Y150-E152 VanDerWaalsContact C-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.16Å; E152-H155 PolarHBondContact O-CE1 3.39Å; E152-H155 PolarHBondContact O-ND1 3.22Å
153N90.1Very high89.2Confident27 Ų2764.8 Ų64.814%0.14429%0.291CS..Hα-helixtrans-100.1-8.2-173.2-68.2-76.1000115Y149 Y150 H155 R156 Y157Y149-N153 HydrophobicContact CD1-CB 4.48Å; Y149-N153 HydrophobicContact CE1-CB 4.21Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.45Å; Y149-N153 WeakPolarHBondContact O-CB 3.46Å; Y149-N153 PolarHBondContact O-N 3.45Å; Y149-N153 PolarHBondContact O-ND2 2.71Å; Y150-N153 PolarHBondContact O-N 3.42Å; N153-H155 PolarHBondContact O-N 3.17Å; N153-R156 PolarHBondContact O-N 3.41Å; N153-Y157 HydrophobicContact CB-CE1 4.47Å; N153-Y157 HydrophobicContact CB-CE2 4.4Å; N153-Y157 WeakPolarHBondContact CB-OH 3.36Å
154M88Confident89.1Confident59 Ų5965.6 Ų65.629%0.29129%0.288SS..G310 helixtrans-56.7-25.8-177.966.4170.9-17900112.9R136 Y150 R156 Y157R136-M154 VanDerWaalsContact CD-O 3.24Å; R136-M154 WeakPolarHBondContact CD-O 3.39Å; R136-M154 PolarHBondContact NE-O 2.79Å; R136-M154 PolarHBondContact NH1-O 3.43Å; R136-M154 PolarHBondContact NH2-O 3.28Å; Y150-M154 HydrophobicContact CD2-CB 4.43Å; Y150-M154 HydrophobicContact CE1-CB 4.44Å; Y150-M154 HydrophobicContact CE2-CB 3.88Å; Y150-M154 WeakPolarHBondContact O-CA 3.17Å; Y150-M154 VanDerWaalsContact O-CB 3.23Å; Y150-M154 WeakPolarHBondContact O-CB 3.31Å; Y150-M154 PolarHBondContact O-N 2.74Å; M154-R156 PolarHBondContact O-N 3.15Å; M154-Y157 HydrophobicContact CB-CD2 4.3Å; M154-Y157 PolarHBondContact O-N 3.25Å; M154-Y157 VanDerWaalsContact O-N 3.14Å
155H88.6Confident88.8Confident120 Ų12060.7 Ų60.756%0.55626%0.264SS*.G310 helixtrans-61.1-25.1178.572.1-82.3000114.1R136 E152 N153R136-H155 VanDerWaalsContact NH1-CA 3.31Å; R136-H155 VanDerWaalsContact NH2-C 3.31Å; R136-H155 PolarHBondContact NH2-O 2.82Å; E152-H155 PolarHBondContact O-CE1 3.39Å; E152-H155 PolarHBondContact O-ND1 3.22Å; N153-H155 PolarHBondContact O-N 3.17Å
156R88.9Confident88Confident53 Ų5357.5 Ų57.520%0.226%0.256CS..G310 helixtrans-90.9-12.7179.7-59.9172.763.8-144.2-5.8112.9N153 M154 H187 E196 N197 F198N153-R156 PolarHBondContact O-N 3.41Å; M154-R156 PolarHBondContact O-N 3.15Å; R156-H187 PolarHBondContact O-CE1 2.68Å; R156-H187 PolarHBondContact O-NE2 3.42Å; R156-E196 IonicContact CZ-OE1 3.7Å; R156-E196 IonicContact NE-OE1 3.79Å; R156-E196 PolarHBondContact NE-OE1 3.15Å; R156-E196 IonicContact NH2-OE1 2.82Å; R156-N197 PolarHBondContact NH2-O 3.3Å; R156-F198 HydrophobicContact CB-CE1 4.4Å
157Y89.6Confident87.4Confident2 Ų262.9 Ų62.91%0.00829%0.286CS..SBendtrans-83.4153.2-177.8-57.7-23.6000111.6R136 Y150 N153 M154 D202 M205 M206R136-Y157 PolarHBondContact NE-O 3.43Å; R136-Y157 PolarHBondContact NH2-O 2.75Å; Y150-Y157 HydrophobicContact CD2-CD2 4.19Å; Y150-Y157 AromaticContact CD2-CE2 3.74Å; Y150-Y157 HydrophobicContact CD2-CE2 3.74Å; Y150-Y157 AromaticContact CE2-CD2 3.77Å; Y150-Y157 HydrophobicContact CE2-CD2 3.77Å; Y150-Y157 AromaticContact CE2-CE2 3.82Å; Y150-Y157 HydrophobicContact CE2-CE2 3.82Å; N153-Y157 HydrophobicContact CB-CE1 4.47Å; N153-Y157 HydrophobicContact CB-CE2 4.4Å; N153-Y157 WeakPolarHBondContact CB-OH 3.36Å; M154-Y157 HydrophobicContact CB-CD2 4.3Å; M154-Y157 PolarHBondContact O-N 3.25Å; M154-Y157 VanDerWaalsContact O-N 3.14Å; Y157-D202 HydrophobicContact CE1-CB 4.06Å; Y157-D202 PolarHBondContact OH-OD1 3.3Å; Y157-M205 HydrophobicContact CE2-CB 4Å; Y157-M206 HydrophobicContact CD1-CG 3.23Å; Y157-M206 HydrophobicContact CD1-SD 3.69Å; Y157-M206 HydrophobicContact CD2-CG 4.28Å; Y157-M206 HydrophobicContact CE1-CG 3.71Å; Y157-M206 HydrophobicContact CE1-SD 4.26Å; Y157-M206 HydrophobicContact CG-CG 3.59Å; Y157-M206 HydrophobicContact CG-SD 4.43Å
158P88.3Confident86.8Confident9 Ų966.9 Ų66.96%0.05830%0.303CS..  trans-60147.5-179.825.2-34.1000111T183 H187 V210 M213P158-T183 HydrophobicContact CB-CG2 4.12Å; P158-T183 HydrophobicContact CG-CG2 4.04Å; P158-H187 HydrophobicContact CG-CB 4.46Å; P158-V210 HydrophobicContact CG-CG2 3.59Å; P158-M213 WeakPolarHBondContact O-CE 3.4Å
159N90.6Very high86.3Confident67 Ų6761.1 Ų61.136%0.35828%0.282SS..SBendtrans-114.62.7173.168.1-18.7000112.5A133 M134A133-N159 CarbonylContact C-O 3.58Å; A133-N159 WeakPolarHBondContact CA-O 3.49Å; M134-N159 PolarHBondContact N-O 3.2Å
160Q89.6Confident85.7Confident61 Ų6164 Ų6429%0.28531%0.308SS..SBendtrans-135150.5177.7-70.8172.555.300107.3L130 G131 A133L130-Q160 HydrophobicContact CD1-CB 3.56Å; L130-Q160 HydrophobicContact CG-CB 4.16Å; L130-Q160 VanDerWaalsContact CG-OE1 3.31Å; G131-Q160 PolarHBondContact O-OE1 3.31Å; A133-Q160 VanDerWaalsContact CA-CG 3.43Å; A133-Q160 HydrophobicContact CB-CG 3.81Å
161V91.6Very high85.4Confident0 Ų065.7 Ų65.70%032%0.318CS..  trans-120.9144.6-178.6-59.90000110.8G131 M134 T183 V210 M213 Q217G131-V161 PolarHBondContact N-O 2.99Å; M134-V161 HydrophobicContact CE-CG1 4.44Å; M134-V161 HydrophobicContact CE-CG2 3.7Å; V161-T183 HydrophobicContact CG1-CG2 4.39Å; V161-V210 HydrophobicContact CG1-CG1 3.97Å; V161-M213 HydrophobicContact CG1-CB 3.49Å; V161-M213 VanDerWaalsContact CG1-CB 3.49Å; V161-M213 HydrophobicContact CG1-CE 3.89Å; V161-M213 HydrophobicContact CG1-SD 4.43Å; V161-Q217 HydrophobicContact CG2-CB 4.3Å; V161-Q217 HydrophobicContact CG2-CG 4.35Å
162Y89.6Confident85Confident34 Ų3463.6 Ų63.613%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-87.2130171.3-67.7-82.7000109.4V122 M129 L130 C179 I182 T183 Q186V122-Y162 HydrophobicContact CB-CD1 4.34Å; V122-Y162 HydrophobicContact CB-CE1 3.33Å; V122-Y162 HydrophobicContact CG1-CD1 4.41Å; V122-Y162 HydrophobicContact CG1-CE1 3.34Å; V122-Y162 HydrophobicContact CG1-CE2 4.21Å; V122-Y162 WeakPolarHBondContact CG1-OH 2.9Å; V122-Y162 HydrophobicContact CG2-CE1 3.48Å; V122-Y162 VanDerWaalsContact CG2-CE1 3.48Å; V122-Y162 WeakPolarHBondContact CG2-OH 3.29Å; M129-Y162 WeakPolarHBondContact O-CA 3.4Å; L130-Y162 HydrophobicContact CB-CD1 4.36Å; L130-Y162 HydrophobicContact CB-CE1 3.94Å; L130-Y162 HydrophobicContact CD1-CD1 4.03Å; L130-Y162 HydrophobicContact CD1-CD2 4.22Å; L130-Y162 HydrophobicContact CD1-CE1 3.59Å; L130-Y162 HydrophobicContact CD1-CE2 3.87Å; L130-Y162 HydrophobicContact CD1-CG 4.31Å; L130-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L130-Y162 HydrophobicContact CD2-CE1 4.34Å; L130-Y162 HydrophobicContact CG-CE1 4.16Å; Y162-C179 WeakPolarHBondContact O-CA 3.37Å; Y162-C179 PolarHBondContact O-SG 2.64Å; Y162-I182 HydrophobicContact CG-CG2 4.42Å; Y162-T183 HydrophobicContact CD2-CG2 4.34Å; Y162-T183 PolarHBondContact N-OG1 3.49Å; Y162-Q186 HydrophobicContact CD2-CB 4.36Å; Y162-Q186 HydrophobicContact CE2-CB 4.08Å
163Y88.1Confident84.9Confident56 Ų5663.4 Ų63.422%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-143.1158.1179.373.1-77000110.4M129 F175 Q217M129-Y163 HydrophobicContact CB-CE1 4.21Å; M129-Y163 HydrophobicContact CE-CD2 4.44Å; M129-Y163 HydrophobicContact CE-CE2 3.87Å; M129-Y163 PolarHBondContact N-O 2.64Å; M129-Y163 PolarHBondContact O-N 3.49Å; Y163-F175 HydrophobicContact CD2-CE2 4.08Å; Y163-F175 HydrophobicContact CD2-CZ 4.26Å; Y163-F175 HydrophobicContact CG-CE2 4.39Å; Y163-F175 HydrophobicContact CG-CZ 4.39Å; Y163-Q217 HydrophobicContact CD1-CG 3.92Å; Y163-Q217 HydrophobicContact CD2-CG 4.41Å; Y163-Q217 HydrophobicContact CE1-CG 4.01Å; Y163-Q217 HydrophobicContact CE2-CG 4.48Å; Y163-Q217 HydrophobicContact CG-CG 4.14Å
164R86.3Confident84.9Confident58 Ų5866.3 Ų66.322%0.21933%0.332CS..  trans-107.5160.9167.2-61.3-168.4-178.7176.7-10.9110.6G126 Y128 M166 E168 Y169 F175G126-R164 PolarHBondContact O-NH2 2.74Å; Y128-R164 HydrophobicContact CD1-CG 3.51Å; Y128-R164 HydrophobicContact CD2-CG 4.41Å; Y128-R164 HydrophobicContact CE1-CG 3.57Å; Y128-R164 HydrophobicContact CG-CG 3.96Å; R164-M166 PolarHBondContact O-N 3.42Å; R164-E168 VanDerWaalsContact CD-OE2 3.29Å; R164-E168 WeakPolarHBondContact CD-OE2 3.39Å; R164-E168 IonicContact CZ-OE1 3.69Å; R164-E168 IonicContact NH1-OE1 2.75Å; R164-E168 PolarHBondContact NH1-OE1 3.15Å; R164-Y169 HydrophobicContact CB-CE2 3.67Å; R164-Y169 WeakPolarHBondContact CB-OH 3.43Å; R164-F175 WeakPolarHBondContact O-CE2 3.43Å
165P80.9Confident85Confident42 Ų4263.7 Ų63.727%0.27332%0.319SS..  trans-53.7137.2176-20.833.1000111.5M129 D167 E168M129-P165 HydrophobicContact CE-CB 4.47Å; M129-P165 HydrophobicContact CE-CG 3.59Å; P165-D167 WeakPolarHBondContact CB-OD1 3.15Å; P165-D167 PolarHBondContact O-N 3.26Å; P165-D167 VanDerWaalsContact O-N 3.16Å; P165-E168 WeakPolarHBondContact O-CB 3.35Å; P165-E168 PolarHBondContact O-N 3.37Å
166M71Confident85.1Confident95 Ų9558.6 Ų58.647%0.46830%0.296SS..G310 helixtrans-59.4-25.6-177.9-99.4-92-166.500113.1R164 E168 Y169 Q172 F175R164-M166 PolarHBondContact O-N 3.42Å; M166-E168 PolarHBondContact O-N 2.99Å; M166-Y169 PolarHBondContact O-N 3.47Å; M166-Q172 HydrophobicContact CE-CB 4.46Å; M166-Q172 HydrophobicContact CE-CG 4.25Å; M166-F175 HydrophobicContact CE-CB 4.4Å; M166-F175 HydrophobicContact CE-CD1 3.93Å; M166-F175 HydrophobicContact CE-CE1 4.37Å; M166-F175 HydrophobicContact CE-CG 4.06Å; M166-F175 HydrophobicContact CG-CD2 4.31Å; M166-F175 HydrophobicContact CG-CE2 4.46Å; M166-F175 HydrophobicContact SD-CB 4.49Å; M166-F175 HydrophobicContact SD-CG 4.41Å
167D77.4Confident85.2Confident146 Ų14662.4 Ų62.478%0.78132%0.316SS*.G310 helixtrans-60.8-18.9174.345.1-63.2000113.9P165P165-D167 WeakPolarHBondContact CB-OD1 3.15Å; P165-D167 PolarHBondContact O-N 3.26Å; P165-D167 VanDerWaalsContact O-N 3.16Å
168E74.6Confident85.3Confident108 Ų10863.9 Ų63.951%0.50532%0.324SS..G310 helixtrans-86-11.6175.8-149.8176.3153.800112.7R164 P165 M166R164-E168 VanDerWaalsContact CD-OE2 3.29Å; R164-E168 WeakPolarHBondContact CD-OE2 3.39Å; R164-E168 IonicContact CZ-OE1 3.69Å; R164-E168 IonicContact NH1-OE1 2.75Å; R164-E168 PolarHBondContact NH1-OE1 3.15Å; P165-E168 WeakPolarHBondContact O-CB 3.35Å; P165-E168 PolarHBondContact O-N 3.37Å; M166-E168 PolarHBondContact O-N 2.99Å
169Y79.1Confident85.4Confident43 Ų4363.4 Ų63.417%0.16932%0.321CS..  trans-113.2141.8-176.8-60.2-84000113.1R164 M166 N174 F175 D178R164-Y169 HydrophobicContact CB-CE2 3.67Å; R164-Y169 WeakPolarHBondContact CB-OH 3.43Å; M166-Y169 PolarHBondContact O-N 3.47Å; Y169-N174 HydrophobicContact CD1-CB 4.33Å; Y169-F175 HydrophobicContact CD1-CB 4.48Å; Y169-F175 HydrophobicContact CD2-CB 4.02Å; Y169-F175 AromaticContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CG 4.4Å; Y169-F175 HydrophobicContact CE2-CB 4.4Å; Y169-F175 AromaticContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CE2 4.48Å; Y169-F175 HydrophobicContact CG-CB 4.05Å; Y169-D178 HydrophobicContact CE1-CB 4.02Å; Y169-D178 PolarHBondContact OH-OD2 3.09Å
170S77.9Confident85.5Confident102 Ų10261.2 Ų61.271%0.71331%0.31SS*.SBendtrans-83.8-16.7177.157.90000114.5
171N83.2Confident85.7Confident37 Ų3761 Ų6120%0.19831%0.311CS..  trans-152.7143.3-174.9-172-64.6000111W99 N173 N174 F175W99-N171 WeakPolarHBondContact CZ2-ND2 3.43Å; N171-N173 VanDerWaalsContact C-N 3.3Å; N171-N173 PolarHBondContact O-N 2.88Å; N171-N173 VanDerWaalsContact OD1-CB 3.25Å; N171-N173 WeakPolarHBondContact OD1-CB 3.1Å; N171-N173 PolarHBondContact OD1-N 2.84Å; N171-N174 WeakPolarHBondContact O-CB 3.42Å; N171-N174 PolarHBondContact O-N 3.03Å; N171-N174 VanDerWaalsContact O-N 3.17Å; N171-F175 PolarHBondContact O-N 2.83Å
172Q82.3Confident85.6Confident99 Ų9961.8 Ų61.846%0.46332%0.315SS..Hα-helixtrans-58-37.7176.4-179.4176.4-14.800113.3M166 N174 F175 V176M166-Q172 HydrophobicContact CE-CB 4.46Å; M166-Q172 HydrophobicContact CE-CG 4.25Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.06Å; Q172-F175 WeakPolarHBondContact O-CB 3.48Å; Q172-F175 PolarHBondContact O-N 3.45Å; Q172-V176 HydrophobicContact CG-CG2 4.32Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.49Å
173N87.8Confident85.7Confident114 Ų11460.2 Ų60.261%0.6131%0.309SS*.Hα-helixtrans-63.6-37.8178.2-64-19.5000111.5N171 V176 H177N171-N173 VanDerWaalsContact C-N 3.3Å; N171-N173 PolarHBondContact O-N 2.88Å; N171-N173 VanDerWaalsContact OD1-CB 3.25Å; N171-N173 WeakPolarHBondContact OD1-CB 3.1Å; N171-N173 PolarHBondContact OD1-N 2.84Å; N173-V176 PolarHBondContact O-N 3.43Å; N173-H177 WeakPolarHBondContact O-CB 3.25Å; N173-H177 PolarHBondContact O-N 3.47Å
174N88.6Confident85.9Confident87 Ų8758.3 Ų58.347%0.46530%0.302SS..Hα-helixtrans-66.8-41.4176.1-68.4-19.4000110.7Y169 N171 Q172 D178Y169-N174 HydrophobicContact CD1-CB 4.33Å; N171-N174 WeakPolarHBondContact O-CB 3.42Å; N171-N174 PolarHBondContact O-N 3.03Å; N171-N174 VanDerWaalsContact O-N 3.17Å; Q172-N174 VanDerWaalsContact C-N 3.3Å; Q172-N174 PolarHBondContact O-N 3.06Å; N174-D178 VanDerWaalsContact O-CB 3.28Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3Å
175F90.1Very high86.1Confident4 Ų460.9 Ų60.92%0.01832%0.315CS..Hα-helixtrans-59.2-51.6174168.2-92.6000111.8Y163 R164 M166 Y169 N171 Q172 H177 D178 C179 C214Y163-F175 HydrophobicContact CD2-CE2 4.08Å; Y163-F175 HydrophobicContact CD2-CZ 4.26Å; Y163-F175 HydrophobicContact CG-CE2 4.39Å; Y163-F175 HydrophobicContact CG-CZ 4.39Å; R164-F175 WeakPolarHBondContact O-CE2 3.43Å; M166-F175 HydrophobicContact CE-CB 4.4Å; M166-F175 HydrophobicContact CE-CD1 3.93Å; M166-F175 HydrophobicContact CE-CE1 4.37Å; M166-F175 HydrophobicContact CE-CG 4.06Å; M166-F175 HydrophobicContact CG-CD2 4.31Å; M166-F175 HydrophobicContact CG-CE2 4.46Å; M166-F175 HydrophobicContact SD-CB 4.49Å; M166-F175 HydrophobicContact SD-CG 4.41Å; Y169-F175 HydrophobicContact CD1-CB 4.48Å; Y169-F175 HydrophobicContact CD2-CB 4.02Å; Y169-F175 AromaticContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CD2 3.74Å; Y169-F175 HydrophobicContact CD2-CG 4.4Å; Y169-F175 HydrophobicContact CE2-CB 4.4Å; Y169-F175 AromaticContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CD2 3.65Å; Y169-F175 HydrophobicContact CE2-CE2 4.48Å; Y169-F175 HydrophobicContact CG-CB 4.05Å; N171-F175 PolarHBondContact O-N 2.83Å; Q172-F175 WeakPolarHBondContact O-CB 3.48Å; Q172-F175 PolarHBondContact O-N 3.45Å; F175-H177 PolarHBondContact O-N 2.9Å; F175-D178 PolarHBondContact O-N 2.75Å; F175-C179 WeakPolarHBondContact O-CB 3.49Å; F175-C179 PolarHBondContact O-N 3.5Å; F175-C214 WeakPolarHBondContact CE1-O 3.29Å
176V91.2Very high86.4Confident13 Ų1360.1 Ų60.18%0.07931%0.308CS..Hα-helixtrans-63.2-45.4-178.8174.60000110.7Q172 N173 D178 C179 V180 E211 C214 I215Q172-V176 HydrophobicContact CG-CG2 4.32Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.49Å; N173-V176 PolarHBondContact O-N 3.43Å; V176-D178 PolarHBondContact O-N 3.24Å; V176-C179 PolarHBondContact O-N 2.72Å; V176-V180 HydrophobicContact CG1-CG2 4.4Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 3.5Å; V176-E211 HydrophobicContact CG1-CG 3.91Å; V176-C214 HydrophobicContact CG1-CB 4.23Å; V176-I215 HydrophobicContact CG1-CG1 4.14Å; V176-I215 HydrophobicContact CG2-CG1 3.85Å
177H91.3Very high87.2Confident134 Ų13457.1 Ų57.162%0.6229%0.293SS*.Hα-helixtrans-62.5-43.3-179.7-176.7-86.4000112.3N173 F175 V180 N181N173-H177 WeakPolarHBondContact O-CB 3.25Å; N173-H177 PolarHBondContact O-N 3.47Å; F175-H177 PolarHBondContact O-N 2.9Å; H177-V180 PolarHBondContact O-N 3.03Å; H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.27Å; H177-N181 PolarHBondContact O-N 3.38Å
178D91.3Very high87.7Confident32 Ų3252 Ų5217%0.17127%0.267CS..Hα-helixtrans-68.6-42.8177.9-166.243.2000111.7Y128 Y169 N174 F175 V176 V180 N181 I182Y128-D178 PolarHBondContact OH-OD2 3.43Å; Y128-D178 VanDerWaalsContact OH-OD2 3.1Å; Y169-D178 HydrophobicContact CE1-CB 4.02Å; Y169-D178 PolarHBondContact OH-OD2 3.09Å; N174-D178 VanDerWaalsContact O-CB 3.28Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3Å; F175-D178 PolarHBondContact O-N 2.75Å; V176-D178 PolarHBondContact O-N 3.24Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 2.94Å; D178-N181 PolarHBondContact O-N 3.41Å; D178-I182 WeakPolarHBondContact O-CB 3.38Å; D178-I182 VanDerWaalsContact O-CG1 3.25Å; D178-I182 WeakPolarHBondContact O-CG1 3.36Å; D178-I182 PolarHBondContact O-N 2.93Å
179C91.5Very high88.3Confident0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-55.5-45.1174175.40000112Y162 F175 V176 T183 C214Y162-C179 WeakPolarHBondContact O-CA 3.37Å; Y162-C179 PolarHBondContact O-SG 2.64Å; F175-C179 WeakPolarHBondContact O-CB 3.49Å; F175-C179 PolarHBondContact O-N 3.5Å; V176-C179 PolarHBondContact O-N 2.72Å; C179-T183 WeakPolarHBondContact O-CB 3.35Å; C179-T183 PolarHBondContact O-N 2.7Å; C179-T183 PolarHBondContact O-OG1 3.42Å; C179-C214 VanDerWaalsContact C-SG 3.55Å; C179-C214 HydrophobicContact CB-CB 3.76Å; C179-C214 WeakPolarHBondContact CB-SG 3.44Å; C179-C214 WeakPolarHBondContact SG-CB 2.85Å; C179-C214 CovalentContact SG-SG 2.03Å; C179-C214 PolarHBondContact SG-SG 3.33Å
180V92.9Very high88.6Confident21 Ų2151.7 Ų51.713%0.12728%0.276CS..Hα-helixtrans-64.1-53.2176.3173.70000111.5V176 H177 D178 I182 T183 I184 E207 V210 E211V176-V180 HydrophobicContact CG1-CG2 4.4Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 3.5Å; H177-V180 PolarHBondContact O-N 3.03Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 2.94Å; V180-I182 PolarHBondContact O-N 3.19Å; V180-T183 PolarHBondContact O-N 2.99Å; V180-I184 HydrophobicContact CG1-CD1 3.61Å; V180-I184 HydrophobicContact CG1-CG1 4.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.32Å; V180-I184 PolarHBondContact O-N 3.48Å; V180-E207 HydrophobicContact CG1-CG 4.37Å; V180-V210 HydrophobicContact CB-CG1 4.25Å; V180-V210 HydrophobicContact CG1-CG1 4.44Å; V180-V210 HydrophobicContact CG2-CB 4.41Å; V180-V210 HydrophobicContact CG2-CG1 3.98Å; V180-E211 VanDerWaalsContact CG2-CA 3.48Å; V180-E211 HydrophobicContact CG2-CB 3.9Å
181N92.3Very high88.9Confident56 Ų5647.1 Ų47.130%0.29925%0.245SC..Hα-helixtrans-58.1-47.1-176.7-176.422.7000111.9H177 D178 K185H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.27Å; H177-N181 PolarHBondContact O-N 3.38Å; D178-N181 PolarHBondContact O-N 3.41Å; N181-K185 WeakPolarHBondContact O-CB 3.21Å; N181-K185 VanDerWaalsContact O-CG 3.27Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.36Å; N181-K185 WeakPolarHBondContact OD1-CE 2.93Å; N181-K185 PolarHBondContact OD1-NZ 2.81Å
182I91.2Very high89Confident17 Ų1748.9 Ų48.99%0.08726%0.257CS..Hα-helixtrans-69.6-43.3-178.2-65.8-69000110.9L125 Y128 Y162 D178 V180 I184 K185 Q186L125-I182 HydrophobicContact CD1-CG2 3.43Å; L125-I182 VanDerWaalsContact CD1-CG2 3.43Å; L125-I182 HydrophobicContact CD2-CD1 4.25Å; Y128-I182 HydrophobicContact CD1-CG1 4.44Å; Y128-I182 HydrophobicContact CD1-CG2 3.93Å; Y128-I182 HydrophobicContact CE1-CB 4.16Å; Y128-I182 HydrophobicContact CE1-CD1 4.29Å; Y128-I182 HydrophobicContact CE1-CG1 3.66Å; Y128-I182 HydrophobicContact CE1-CG2 4Å; Y128-I182 HydrophobicContact CE2-CD1 4.33Å; Y128-I182 HydrophobicContact CG-CG2 4.3Å; Y162-I182 HydrophobicContact CG-CG2 4.42Å; D178-I182 WeakPolarHBondContact O-CB 3.38Å; D178-I182 VanDerWaalsContact O-CG1 3.25Å; D178-I182 WeakPolarHBondContact O-CG1 3.36Å; D178-I182 PolarHBondContact O-N 2.93Å; V180-I182 PolarHBondContact O-N 3.19Å; I182-I184 PolarHBondContact O-N 3.21Å; I182-K185 PolarHBondContact O-N 2.95Å; I182-Q186 HydrophobicContact CG2-CG 4.45Å; I182-Q186 WeakPolarHBondContact O-CB 3.47Å; I182-Q186 WeakPolarHBondContact O-CG 3.5Å; I182-Q186 PolarHBondContact O-N 3.27Å
183T91.1Very high89Confident1 Ų149.6 Ų49.61%0.00627%0.268CS..Hα-helixtrans-62.3-45.7179.4-58.70000112P158 V161 Y162 C179 V180 Q186 H187 V210P158-T183 HydrophobicContact CB-CG2 4.12Å; P158-T183 HydrophobicContact CG-CG2 4.04Å; V161-T183 HydrophobicContact CG1-CG2 4.39Å; Y162-T183 HydrophobicContact CD2-CG2 4.34Å; Y162-T183 PolarHBondContact N-OG1 3.49Å; C179-T183 WeakPolarHBondContact O-CB 3.35Å; C179-T183 PolarHBondContact O-N 2.7Å; C179-T183 PolarHBondContact O-OG1 3.42Å; V180-T183 PolarHBondContact O-N 2.99Å; T183-Q186 PolarHBondContact O-N 3.39Å; T183-H187 VanDerWaalsContact O-CB 3.24Å; T183-H187 WeakPolarHBondContact O-CB 3.29Å; T183-H187 PolarHBondContact O-N 3.32Å; T183-V210 HydrophobicContact CG2-CG1 3.89Å; T183-V210 HydrophobicContact CG2-CG2 4.17Å
184I91.4Very high88.8Confident16 Ų1651.9 Ų51.98%0.08227%0.272CS..Hα-helixtrans-67-43.2179.8-66.6172.6000110.9V180 I182 Q186 H187 T188 V203 M206 E207 V210V180-I184 HydrophobicContact CG1-CD1 3.61Å; V180-I184 HydrophobicContact CG1-CG1 4.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.32Å; V180-I184 PolarHBondContact O-N 3.48Å; I182-I184 PolarHBondContact O-N 3.21Å; I184-Q186 PolarHBondContact O-N 3.49Å; I184-H187 PolarHBondContact O-N 3.15Å; I184-T188 WeakPolarHBondContact O-CB 3.24Å; I184-T188 PolarHBondContact O-N 3.15Å; I184-T188 PolarHBondContact O-OG1 3.42Å; I184-V203 HydrophobicContact CG2-CG1 4.47Å; I184-M206 HydrophobicContact CD1-CB 4.38Å; I184-M206 HydrophobicContact CG1-CB 4.38Å; I184-E207 HydrophobicContact CD1-CB 4.13Å; I184-E207 HydrophobicContact CD1-CG 3.38Å; I184-V210 HydrophobicContact CG1-CG2 4.33Å
185K90.4Very high88.5Confident112 Ų11251.2 Ų51.249%0.48729%0.286SS..Hα-helixtrans-58.7-49.2176.6-80.7175.3175.5165.70111.7N181 I182 T188 V189N181-K185 WeakPolarHBondContact O-CB 3.21Å; N181-K185 VanDerWaalsContact O-CG 3.27Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.36Å; N181-K185 WeakPolarHBondContact OD1-CE 2.93Å; N181-K185 PolarHBondContact OD1-NZ 2.81Å; I182-K185 PolarHBondContact O-N 2.95Å; K185-T188 PolarHBondContact O-N 3.44Å; K185-V189 WeakPolarHBondContact O-CB 3.16Å; K185-V189 VanDerWaalsContact O-CG2 3.25Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 2.03Å
186Q87.7Confident88.3Confident25 Ų2554.2 Ų54.212%0.11730%0.3CS..Hα-helixtrans-65.6-44.3179.9-72.1-58.9-38.700112.4L125 Y162 I182 T183 I184 T188 V189 T190L125-Q186 HydrophobicContact CD1-CG 3.2Å; L125-Q186 HydrophobicContact CG-CG 4.33Å; Y162-Q186 HydrophobicContact CD2-CB 4.36Å; Y162-Q186 HydrophobicContact CE2-CB 4.08Å; I182-Q186 HydrophobicContact CG2-CG 4.45Å; I182-Q186 WeakPolarHBondContact O-CB 3.47Å; I182-Q186 WeakPolarHBondContact O-CG 3.5Å; I182-Q186 PolarHBondContact O-N 3.27Å; T183-Q186 PolarHBondContact O-N 3.39Å; I184-Q186 PolarHBondContact O-N 3.49Å; Q186-T188 PolarHBondContact O-N 3.19Å; Q186-V189 PolarHBondContact O-N 3.44Å; Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 VanDerWaalsContact O-CG2 3.24Å; Q186-T190 WeakPolarHBondContact O-CG2 3.46Å; Q186-T190 PolarHBondContact O-N 3.39Å; Q186-T190 PolarHBondContact O-OG1 2.82Å
187H88.3Confident88.1Confident33 Ų3359.8 Ų59.815%0.15333%0.329CS..Hα-helixtrans-59.7-49.6176.8-16969.8000110.6R156 P158 T183 I184 V189 T190 T191 F198R156-H187 PolarHBondContact O-CE1 2.68Å; R156-H187 PolarHBondContact O-NE2 3.42Å; P158-H187 HydrophobicContact CG-CB 4.46Å; T183-H187 VanDerWaalsContact O-CB 3.24Å; T183-H187 WeakPolarHBondContact O-CB 3.29Å; T183-H187 PolarHBondContact O-N 3.32Å; I184-H187 PolarHBondContact O-N 3.15Å; H187-V189 PolarHBondContact O-N 2.86Å; H187-T190 PolarHBondContact O-N 3Å; H187-T190 PolarHBondContact O-OG1 2.67Å; H187-T191 WeakPolarHBondContact O-CG2 3.04Å; H187-T191 PolarHBondContact O-N 2.88Å; H187-T191 PolarHBondContact O-OG1 3.33Å; H187-F198 AromaticContact CD2-CE2 3.64Å; H187-F198 AromaticContact CD2-CZ 3.53Å; H187-F198 AromaticContact NE2-CZ 3.5Å
188T87.5Confident87.9Confident39 Ų3954.2 Ų54.224%0.23930%0.303CS..Hα-helixtrans-58.2-47.3178.1-56.10000112.5I184 K185 Q186 T190 T191 T192 F198I184-T188 WeakPolarHBondContact O-CB 3.24Å; I184-T188 PolarHBondContact O-N 3.15Å; I184-T188 PolarHBondContact O-OG1 3.42Å; K185-T188 PolarHBondContact O-N 3.44Å; Q186-T188 PolarHBondContact O-N 3.19Å; T188-T190 PolarHBondContact O-N 2.78Å; T188-T191 PolarHBondContact O-OG1 3.07Å; T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.49Å; T188-F198 HydrophobicContact CG2-CD2 4.1Å
189V87.4Confident87.8Confident87 Ų8756 Ų5653%0.52732%0.315SS..Hα-helixtrans-63.8-44178.71710000111.1K185 Q186 H187 T193K185-V189 WeakPolarHBondContact O-CB 3.16Å; K185-V189 VanDerWaalsContact O-CG2 3.25Å; K185-V189 WeakPolarHBondContact O-CG2 3.45Å; K185-V189 PolarHBondContact O-N 2.03Å; Q186-V189 PolarHBondContact O-N 3.44Å; H187-V189 PolarHBondContact O-N 2.86Å; V189-T193 WeakPolarHBondContact O-CG2 3.02Å; V189-T193 PolarHBondContact O-N 3.39Å; V189-T193 VanDerWaalsContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.19Å
190T84.7Confident87.6Confident56 Ų5664.3 Ų64.334%0.34435%0.354SS..Hα-helixtrans-73.8-26.3-177.455.80000114Q186 H187 T188 T193Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 VanDerWaalsContact O-CG2 3.24Å; Q186-T190 WeakPolarHBondContact O-CG2 3.46Å; Q186-T190 PolarHBondContact O-N 3.39Å; Q186-T190 PolarHBondContact O-OG1 2.82Å; H187-T190 PolarHBondContact O-N 3Å; H187-T190 PolarHBondContact O-OG1 2.67Å; T188-T190 PolarHBondContact O-N 2.78Å; T190-T193 PolarHBondContact O-OG1 3.29Å
191T84.2Confident87.4Confident7 Ų766 Ų664%0.04337%0.365CS..Hα-helixtrans-87-35.2173.4600000112.3H187 T188 T193 K194 G195 E196 F198H187-T191 WeakPolarHBondContact O-CG2 3.04Å; H187-T191 PolarHBondContact O-N 2.88Å; H187-T191 PolarHBondContact O-OG1 3.33Å; T188-T191 PolarHBondContact O-OG1 3.07Å; T191-T193 VanDerWaalsContact C-N 3.28Å; T191-T193 PolarHBondContact O-N 2.94Å; T191-K194 CarbonylContact O-C 3.53Å; T191-K194 WeakPolarHBondContact O-CA 3.37Å; T191-K194 WeakPolarHBondContact O-CB 3.24Å; T191-K194 PolarHBondContact O-N 3.06Å; T191-G195 PolarHBondContact O-N 2.85Å; T191-E196 WeakPolarHBondContact CB-OE2 3.18Å; T191-E196 WeakPolarHBondContact CG2-OE2 3.34Å; T191-E196 PolarHBondContact O-N 2.8Å; T191-E196 VanDerWaalsContact O-N 3.15Å; T191-F198 HydrophobicContact CG2-CE2 4.2Å; T191-F198 HydrophobicContact CG2-CZ 3.95Å; T191-F198 WeakPolarHBondContact OG1-CE2 3.34Å; T191-F198 WeakPolarHBondContact OG1-CZ 3.27Å
192T85.8Confident87.2Confident74 Ų7463.4 Ų63.445%0.45435%0.351SS..Hα-helixtrans-61.7-38175.3-58.30000111.6T188 K194 G195 E196T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.49Å; T192-K194 PolarHBondContact O-N 2.98Å; T192-K194 VanDerWaalsContact O-N 3.16Å; T192-G195 PolarHBondContact O-N 2.95Å; T192-E196 VanDerWaalsContact CA-O 3.29Å; T192-E196 WeakPolarHBondContact CA-O 3.32Å
193T82.4Confident87.2Confident113 Ų11364.7 Ų64.769%0.69336%0.359SS*.THydrogen-bonded Turntrans-63-17.6172.547.30000113.8V189 T190 T191V189-T193 WeakPolarHBondContact O-CG2 3.02Å; V189-T193 PolarHBondContact O-N 3.39Å; V189-T193 VanDerWaalsContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.19Å; T190-T193 PolarHBondContact O-OG1 3.29Å; T191-T193 VanDerWaalsContact C-N 3.28Å; T191-T193 PolarHBondContact O-N 2.94Å
194K84.1Confident87.2Confident163 Ų16369.6 Ų69.671%0.70938%0.38SS*.THydrogen-bonded Turntrans-95.83.6173.5-59174.2-174.1174.20113T191 T192T191-K194 CarbonylContact O-C 3.53Å; T191-K194 WeakPolarHBondContact O-CA 3.37Å; T191-K194 WeakPolarHBondContact O-CB 3.24Å; T191-K194 PolarHBondContact O-N 3.06Å; T192-K194 PolarHBondContact O-N 2.98Å; T192-K194 VanDerWaalsContact O-N 3.16Å
195G82.9Confident87.1Confident72 Ų7268.8 Ų68.874%0.74238%0.376SS*.THydrogen-bonded Turntrans85.48.7-179.500000114.9T191 T192T191-G195 PolarHBondContact O-N 2.85Å; T192-G195 PolarHBondContact O-N 2.95Å
196E84.3Confident87.1Confident67 Ų6763.5 Ų63.531%0.31335%0.353SS..  trans-80.9141.8170.9-66.5-164.7105.700111R156 T191 T192R156-E196 IonicContact CZ-OE1 3.7Å; R156-E196 IonicContact NE-OE1 3.79Å; R156-E196 PolarHBondContact NE-OE1 3.15Å; R156-E196 IonicContact NH2-OE1 2.82Å; T191-E196 WeakPolarHBondContact CB-OE2 3.18Å; T191-E196 WeakPolarHBondContact CG2-OE2 3.34Å; T191-E196 PolarHBondContact O-N 2.8Å; T191-E196 VanDerWaalsContact O-N 3.15Å; T192-E196 VanDerWaalsContact CA-O 3.29Å; T192-E196 WeakPolarHBondContact CA-O 3.32Å
197N87.2Confident87.3Confident130 Ų13066.7 Ų66.770%0.69537%0.368SS*.  trans-118143.5171.5-165.3-4.6000109.6R156R156-N197 PolarHBondContact NH2-O 3.3Å
198F87.4Confident87.4Confident17 Ų1771.4 Ų71.48%0.07539%0.385CS..  trans-108.6127.5175.8-66.7-55.4000109.5R156 H187 T188 T191 D202 V203 M206R156-F198 HydrophobicContact CB-CE1 4.4Å; H187-F198 AromaticContact CD2-CE2 3.64Å; H187-F198 AromaticContact CD2-CZ 3.53Å; H187-F198 AromaticContact NE2-CZ 3.5Å; T188-F198 HydrophobicContact CG2-CD2 4.1Å; T191-F198 HydrophobicContact CG2-CE2 4.2Å; T191-F198 HydrophobicContact CG2-CZ 3.95Å; T191-F198 WeakPolarHBondContact OG1-CE2 3.34Å; T191-F198 WeakPolarHBondContact OG1-CZ 3.27Å; F198-D202 HydrophobicContact CB-CB 4.02Å; F198-D202 HydrophobicContact CD1-CB 4.03Å; F198-D202 HydrophobicContact CG-CB 4.44Å; F198-V203 HydrophobicContact CB-CG2 4.26Å; F198-M206 HydrophobicContact CB-CE 4.06Å; F198-M206 HydrophobicContact CD1-CE 3.97Å; F198-M206 HydrophobicContact CD1-SD 4.5Å; F198-M206 HydrophobicContact CD2-CE 3.82Å; F198-M206 HydrophobicContact CE1-CE 4.38Å; F198-M206 HydrophobicContact CE1-SD 4.35Å; F198-M206 HydrophobicContact CE2-CE 4.19Å; F198-M206 HydrophobicContact CE2-SD 4.36Å; F198-M206 HydrophobicContact CG-CE 3.7Å; F198-M206 HydrophobicContact CZ-SD 4.31Å
199T89.1Confident87.5Confident69 Ų6969.5 Ų69.542%0.42337%0.373SS..  trans-75.7167.1173.764.80000110.7Y149 T201 D202 V203Y149-T199 PolarHBondContact OH-OG1 3.2Å; T199-T201 PolarHBondContact O-N 3.11Å; T199-D202 PolarHBondContact N-OD2 2.94Å; T199-D202 WeakPolarHBondContact O-CB 3.33Å; T199-D202 PolarHBondContact O-N 3.48Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-D202 PolarHBondContact OG1-N 3.48Å; T199-D202 PolarHBondContact OG1-OD2 3.08Å; T199-V203 WeakPolarHBondContact O-CG2 3.46Å; T199-V203 PolarHBondContact O-N 3.36Å
200E87.6Confident87.8Confident176 Ų17665.4 Ų65.482%0.82235%0.348SS*.Hα-helixtrans-57.1-36172.9-173.1179.7172.800111.9V203 K204E200-V203 PolarHBondContact O-N 3.35Å; E200-K204 WeakPolarHBondContact O-CB 3.25Å; E200-K204 PolarHBondContact O-N 3.46Å
201T88.1Confident88.1Confident56 Ų5665.8 Ų65.834%0.34435%0.346SS..Hα-helixtrans-65-42.2175.3-54.10000111.5Y149 T199 V203 K204 M205Y149-T201 HydrophobicContact CD1-CG2 4.12Å; Y149-T201 HydrophobicContact CE1-CG2 3.86Å; T199-T201 PolarHBondContact O-N 3.11Å; T201-V203 VanDerWaalsContact C-N 3.34Å; T201-V203 PolarHBondContact O-N 2.89Å; T201-K204 PolarHBondContact O-N 2.98Å; T201-M205 HydrophobicContact CG2-CE 3.72Å; T201-M205 HydrophobicContact CG2-SD 4.4Å; T201-M205 VanDerWaalsContact O-CG 3.31Å; T201-M205 WeakPolarHBondContact O-CG 3.29Å; T201-M205 PolarHBondContact O-N 2.92Å
202D89.4Confident88.3Confident2 Ų269.3 Ų69.31%0.01136%0.362CS..Hα-helixtrans-60.8-44.2175.4-69.2-57.6000111.6Y149 Y157 F198 T199 M205 M206Y149-D202 PolarHBondContact OH-OD1 3Å; Y149-D202 PolarHBondContact OH-OD2 3.31Å; Y157-D202 HydrophobicContact CE1-CB 4.06Å; Y157-D202 PolarHBondContact OH-OD1 3.3Å; F198-D202 HydrophobicContact CB-CB 4.02Å; F198-D202 HydrophobicContact CD1-CB 4.03Å; F198-D202 HydrophobicContact CG-CB 4.44Å; T199-D202 PolarHBondContact N-OD2 2.94Å; T199-D202 WeakPolarHBondContact O-CB 3.33Å; T199-D202 PolarHBondContact O-N 3.48Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-D202 PolarHBondContact OG1-N 3.48Å; T199-D202 PolarHBondContact OG1-OD2 3.08Å; D202-M205 PolarHBondContact O-N 3.48Å; D202-M206 HydrophobicContact CB-CE 4.38Å; D202-M206 WeakPolarHBondContact O-CB 3.25Å; D202-M206 VanDerWaalsContact O-CG 3.27Å; D202-M206 WeakPolarHBondContact O-CG 3.33Å; D202-M206 PolarHBondContact O-N 3.29Å
203V90.3Very high88.4Confident43 Ų4365.9 Ų65.926%0.26134%0.341SS..Hα-helixtrans-63.1-47.9179.4178.10000110.6I184 F198 T199 E200 T201 M205 M206 E207I184-V203 HydrophobicContact CG2-CG1 4.47Å; F198-V203 HydrophobicContact CB-CG2 4.26Å; T199-V203 WeakPolarHBondContact O-CG2 3.46Å; T199-V203 PolarHBondContact O-N 3.36Å; E200-V203 PolarHBondContact O-N 3.35Å; T201-V203 VanDerWaalsContact C-N 3.34Å; T201-V203 PolarHBondContact O-N 2.89Å; V203-M205 VanDerWaalsContact C-N 3.28Å; V203-M205 PolarHBondContact O-N 3.38Å; V203-M206 HydrophobicContact CB-CE 4.49Å; V203-M206 HydrophobicContact CG2-CE 4.05Å; V203-M206 PolarHBondContact O-N 3.01Å; V203-E207 WeakPolarHBondContact O-CG 3.37Å; V203-E207 PolarHBondContact O-N 3.42Å
204K90.7Very high88.8Confident104 Ų10460.5 Ų60.545%0.45231%0.308SS..Hα-helixtrans-56.8-41.1175.9-176.8-170.8175.3-162.20112.2E146 E200 T201 R208E146-K204 IonicContact OE1-NZ 2.95Å; E146-K204 PolarHBondContact OE1-NZ 3Å; E200-K204 WeakPolarHBondContact O-CB 3.25Å; E200-K204 PolarHBondContact O-N 3.46Å; T201-K204 PolarHBondContact O-N 2.98Å; K204-R208 WeakPolarHBondContact O-CG 3.39Å; K204-R208 PolarHBondContact O-N 3.42Å
205M90Very high89Confident0 Ų056.5 Ų56.50%029%0.293CS..Hα-helixtrans-70.7-43.2177.5-70.2-173.7-178.500112F141 E146 Y149 Y150 Y157 T201 D202 V203 E207 R208 V209F141-M205 HydrophobicContact CE1-CB 4.33Å; F141-M205 HydrophobicContact CE1-CG 3.9Å; F141-M205 HydrophobicContact CE2-CG 4.17Å; F141-M205 HydrophobicContact CZ-CB 3.91Å; F141-M205 HydrophobicContact CZ-CG 3.67Å; E146-M205 HydrophobicContact CB-CE 3.71Å; E146-M205 HydrophobicContact CG-CE 3.93Å; E146-M205 VanDerWaalsContact O-CE 3.3Å; E146-M205 WeakPolarHBondContact O-CE 3.37Å; Y149-M205 HydrophobicContact CD1-CE 3.51Å; Y149-M205 HydrophobicContact CD1-SD 3.45Å; Y149-M205 WeakPolarHBondContact CD1-SD 3.17Å; Y149-M205 HydrophobicContact CE1-CE 4.3Å; Y149-M205 HydrophobicContact CE1-SD 3.97Å; Y149-M205 HydrophobicContact CG-CE 4.16Å; Y150-M205 HydrophobicContact CD2-CB 4.31Å; Y150-M205 HydrophobicContact CD2-SD 4.19Å; Y157-M205 HydrophobicContact CE2-CB 4Å; T201-M205 HydrophobicContact CG2-CE 3.72Å; T201-M205 HydrophobicContact CG2-SD 4.4Å; T201-M205 VanDerWaalsContact O-CG 3.31Å; T201-M205 WeakPolarHBondContact O-CG 3.29Å; T201-M205 PolarHBondContact O-N 2.92Å; D202-M205 PolarHBondContact O-N 3.48Å; V203-M205 VanDerWaalsContact C-N 3.28Å; V203-M205 PolarHBondContact O-N 3.38Å; M205-E207 VanDerWaalsContact C-N 3.3Å; M205-E207 PolarHBondContact O-N 2.9Å; M205-R208 PolarHBondContact O-N 2.89Å; M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 3.21Å; M205-V209 VanDerWaalsContact O-N 3.15Å
206M90.6Very high89.2Confident0 Ų058.1 Ų58.10%029%0.289CS..Hα-helixtrans-57.9-42.6175-76.8-170.9-67.900111.6Y157 I184 F198 D202 V203 R208 V209 V210Y157-M206 HydrophobicContact CD1-CG 3.23Å; Y157-M206 HydrophobicContact CD1-SD 3.69Å; Y157-M206 HydrophobicContact CD2-CG 4.28Å; Y157-M206 HydrophobicContact CE1-CG 3.71Å; Y157-M206 HydrophobicContact CE1-SD 4.26Å; Y157-M206 HydrophobicContact CG-CG 3.59Å; Y157-M206 HydrophobicContact CG-SD 4.43Å; I184-M206 HydrophobicContact CD1-CB 4.38Å; I184-M206 HydrophobicContact CG1-CB 4.38Å; F198-M206 HydrophobicContact CB-CE 4.06Å; F198-M206 HydrophobicContact CD1-CE 3.97Å; F198-M206 HydrophobicContact CD1-SD 4.5Å; F198-M206 HydrophobicContact CD2-CE 3.82Å; F198-M206 HydrophobicContact CE1-CE 4.38Å; F198-M206 HydrophobicContact CE1-SD 4.35Å; F198-M206 HydrophobicContact CE2-CE 4.19Å; F198-M206 HydrophobicContact CE2-SD 4.36Å; F198-M206 HydrophobicContact CG-CE 3.7Å; F198-M206 HydrophobicContact CZ-SD 4.31Å; D202-M206 HydrophobicContact CB-CE 4.38Å; D202-M206 WeakPolarHBondContact O-CB 3.25Å; D202-M206 VanDerWaalsContact O-CG 3.27Å; D202-M206 WeakPolarHBondContact O-CG 3.33Å; D202-M206 PolarHBondContact O-N 3.29Å; V203-M206 HydrophobicContact CB-CE 4.49Å; V203-M206 HydrophobicContact CG2-CE 4.05Å; V203-M206 PolarHBondContact O-N 3.01Å; M206-R208 PolarHBondContact O-N 3.42Å; M206-V209 PolarHBondContact O-N 3.22Å; M206-V210 VanDerWaalsContact O-CB 3.25Å; M206-V210 WeakPolarHBondContact O-CB 3.46Å; M206-V210 WeakPolarHBondContact O-CG2 3.49Å; M206-V210 PolarHBondContact O-N 3.42Å
207E91.5Very high89Confident93 Ų9359 Ų5944%0.43529%0.293SS..Hα-helixtrans-52.7-51.3176.3-75.5175.3173.500112.1V180 I184 V203 M205 V209 E211V180-E207 HydrophobicContact CG1-CG 4.37Å; I184-E207 HydrophobicContact CD1-CB 4.13Å; I184-E207 HydrophobicContact CD1-CG 3.38Å; V203-E207 WeakPolarHBondContact O-CG 3.37Å; V203-E207 PolarHBondContact O-N 3.42Å; M205-E207 VanDerWaalsContact C-N 3.3Å; M205-E207 PolarHBondContact O-N 2.9Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 3.22Å; E207-E211 WeakPolarHBondContact O-CB 3.25Å; E207-E211 PolarHBondContact O-N 3.36Å
208R90.3Very high89Confident131 Ų13155.4 Ų55.449%0.49427%0.273SS..Hα-helixtrans-66.9-37.7-177.6-59.8-67.2-80.3-166.2-8.6112.5I139 F141 K204 M205 M206 E211 Q212I139-R208 HydrophobicContact CG2-CB 4.22Å; F141-R208 HydrophobicContact CE1-CB 3.91Å; F141-R208 HydrophobicContact CE1-CG 3.79Å; F141-R208 HydrophobicContact CZ-CB 4.24Å; K204-R208 WeakPolarHBondContact O-CG 3.39Å; K204-R208 PolarHBondContact O-N 3.42Å; M205-R208 PolarHBondContact O-N 2.89Å; M206-R208 PolarHBondContact O-N 3.42Å; R208-E211 IonicContact NH1-OE2 3.77Å; R208-Q212 WeakPolarHBondContact O-CG 3.18Å; R208-Q212 PolarHBondContact O-N 3.12Å
209V90.7Very high89.1Confident0 Ų057.4 Ų57.40%028%0.283CS..Hα-helixtrans-71.9-46.2-178.3175.30000110.6P137 I139 Y150 M205 M206 E207 E211 Q212 M213P137-V209 HydrophobicContact CG-CG1 3.89Å; I139-V209 HydrophobicContact CG1-CG2 3.76Å; Y150-V209 HydrophobicContact CD2-CG2 4.22Å; Y150-V209 HydrophobicContact CE2-CG2 3.28Å; Y150-V209 WeakPolarHBondContact OH-CG2 3.3Å; M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 3.21Å; M205-V209 VanDerWaalsContact O-N 3.15Å; M206-V209 PolarHBondContact O-N 3.22Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 3.22Å; V209-E211 VanDerWaalsContact C-N 3.33Å; V209-Q212 PolarHBondContact O-N 3.21Å; V209-M213 HydrophobicContact CG1-CE 4.06Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.1Å; V209-M213 VanDerWaalsContact O-N 3.09Å
210V92Very high89.1Confident0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-66.6-37.7177.5177.40000110.5P158 V161 V180 T183 I184 M206 Q212 M213 C214P158-V210 HydrophobicContact CG-CG2 3.59Å; V161-V210 HydrophobicContact CG1-CG1 3.97Å; V180-V210 HydrophobicContact CB-CG1 4.25Å; V180-V210 HydrophobicContact CG1-CG1 4.44Å; V180-V210 HydrophobicContact CG2-CB 4.41Å; V180-V210 HydrophobicContact CG2-CG1 3.98Å; T183-V210 HydrophobicContact CG2-CG1 3.89Å; T183-V210 HydrophobicContact CG2-CG2 4.17Å; I184-V210 HydrophobicContact CG1-CG2 4.33Å; M206-V210 VanDerWaalsContact O-CB 3.25Å; M206-V210 WeakPolarHBondContact O-CB 3.46Å; M206-V210 WeakPolarHBondContact O-CG2 3.49Å; M206-V210 PolarHBondContact O-N 3.42Å; V210-Q212 VanDerWaalsContact C-N 3.34Å; V210-Q212 PolarHBondContact O-N 3.05Å; V210-M213 HydrophobicContact CB-CE 4.23Å; V210-M213 HydrophobicContact CG2-CE 3.77Å; V210-M213 CarbonylContact O-C 3.6Å; V210-M213 PolarHBondContact O-N 3.04Å; V210-M213 VanDerWaalsContact O-N 3.15Å; V210-C214 WeakPolarHBondContact O-CB 3.42Å; V210-C214 PolarHBondContact O-N 2.75Å; V210-C214 PolarHBondContact O-SG 3.34Å
211E91.3Very high89.2Confident65 Ų6549.8 Ų49.830%0.30424%0.243SC..Hα-helixtrans-56.8-47.8174.6-179.1178.8-156.900111.2V176 V180 E207 R208 V209 M213 C214 I215V176-E211 HydrophobicContact CG1-CG 3.91Å; V180-E211 VanDerWaalsContact CG2-CA 3.48Å; V180-E211 HydrophobicContact CG2-CB 3.9Å; E207-E211 WeakPolarHBondContact O-CB 3.25Å; E207-E211 PolarHBondContact O-N 3.36Å; R208-E211 IonicContact NH1-OE2 3.77Å; V209-E211 VanDerWaalsContact C-N 3.33Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 3.17Å; E211-C214 PolarHBondContact O-N 3.36Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 VanDerWaalsContact O-CG1 3.29Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.16Å
212Q88.9Confident89.3Confident81 Ų8149.4 Ų49.438%0.37924%0.237SC..Hα-helixtrans-64-38.1176.5-67.1-52.7-62.700112.9P137 I139 R208 V209 V210 I215 T216P137-Q212 HydrophobicContact CB-CB 4.24Å; P137-Q212 HydrophobicContact CG-CB 3.96Å; I139-Q212 HydrophobicContact CD1-CB 4.37Å; I139-Q212 HydrophobicContact CD1-CG 3.59Å; R208-Q212 WeakPolarHBondContact O-CG 3.18Å; R208-Q212 PolarHBondContact O-N 3.12Å; V209-Q212 PolarHBondContact O-N 3.21Å; V210-Q212 VanDerWaalsContact C-N 3.34Å; V210-Q212 PolarHBondContact O-N 3.05Å; Q212-I215 PolarHBondContact O-N 3.43Å; Q212-T216 WeakPolarHBondContact O-CB 3.49Å; Q212-T216 PolarHBondContact O-N 2.58Å; Q212-T216 VanDerWaalsContact O-N 3.15Å; Q212-T216 PolarHBondContact O-OG1 2.98Å
213M88.6Confident89.3Confident2 Ų252.5 Ų52.51%0.0125%0.252CS..Hα-helixtrans-66.7-40.8175-69.4-173.5-61.300111.8M134 P137 P158 V161 V209 V210 E211 T216 Q217M134-M213 HydrophobicContact CB-CG 4.38Å; M134-M213 HydrophobicContact CB-SD 4.37Å; M134-M213 HydrophobicContact CE-CB 3.86Å; M134-M213 WeakPolarHBondContact CE-O 3.28Å; M134-M213 HydrophobicContact SD-CB 4.07Å; M134-M213 HydrophobicContact SD-CG 4.35Å; P137-M213 HydrophobicContact CG-CG 4.38Å; P158-M213 WeakPolarHBondContact O-CE 3.4Å; V161-M213 HydrophobicContact CG1-CB 3.49Å; V161-M213 VanDerWaalsContact CG1-CB 3.49Å; V161-M213 HydrophobicContact CG1-CE 3.89Å; V161-M213 HydrophobicContact CG1-SD 4.43Å; V209-M213 HydrophobicContact CG1-CE 4.06Å; V209-M213 WeakPolarHBondContact O-CG 3.5Å; V209-M213 PolarHBondContact O-N 3.1Å; V209-M213 VanDerWaalsContact O-N 3.09Å; V210-M213 HydrophobicContact CB-CE 4.23Å; V210-M213 HydrophobicContact CG2-CE 3.77Å; V210-M213 CarbonylContact O-C 3.6Å; V210-M213 PolarHBondContact O-N 3.04Å; V210-M213 VanDerWaalsContact O-N 3.15Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 3.17Å; M213-T216 PolarHBondContact O-N 3.47Å; M213-Q217 PolarHBondContact O-N 3.29Å; M213-Q217 VanDerWaalsContact O-N 3.15Å
214C89.9Confident89.2Confident0 Ų053.2 Ų53.20%025%0.251CS..Hα-helixtrans-64.9-38.1176.4-68.50000112.2F175 V176 C179 V210 E211 T216 Q217F175-C214 WeakPolarHBondContact CE1-O 3.29Å; V176-C214 HydrophobicContact CG1-CB 4.23Å; C179-C214 VanDerWaalsContact C-SG 3.55Å; C179-C214 HydrophobicContact CB-CB 3.76Å; C179-C214 WeakPolarHBondContact CB-SG 3.44Å; C179-C214 WeakPolarHBondContact SG-CB 2.85Å; C179-C214 CovalentContact SG-SG 2.03Å; C179-C214 PolarHBondContact SG-SG 3.33Å; V210-C214 WeakPolarHBondContact O-CB 3.42Å; V210-C214 PolarHBondContact O-N 2.75Å; V210-C214 PolarHBondContact O-SG 3.34Å; E211-C214 PolarHBondContact O-N 3.36Å; C214-T216 VanDerWaalsContact C-N 3.26Å; C214-T216 PolarHBondContact O-N 2.73Å; C214-Q217 PolarHBondContact O-N 2.9Å
215I88Confident89.1Confident78 Ų7849.3 Ų49.340%0.424%0.236SC..Hα-helixtrans-66.4-31.2174.7-68163.4000111.7V176 E211 Q212V176-I215 HydrophobicContact CG1-CG1 4.14Å; V176-I215 HydrophobicContact CG2-CG1 3.85Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 VanDerWaalsContact O-CG1 3.29Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.16Å; Q212-I215 PolarHBondContact O-N 3.43Å
216T86.6Confident89Confident106 Ų10653.4 Ų53.465%0.6526%0.256SS*.Hα-helixtrans-77.6-24.5-179.1-57.80000112.7M134 Q212 M213 C214M134-T216 HydrophobicContact SD-CG2 3.98Å; Q212-T216 WeakPolarHBondContact O-CB 3.49Å; Q212-T216 PolarHBondContact O-N 2.58Å; Q212-T216 VanDerWaalsContact O-N 3.15Å; Q212-T216 PolarHBondContact O-OG1 2.98Å; M213-T216 PolarHBondContact O-N 3.47Å; C214-T216 VanDerWaalsContact C-N 3.26Å; C214-T216 PolarHBondContact O-N 2.73Å
217Q80Confident88.9Confident85 Ų8558.3 Ų58.340%0.39728%0.279SS..  trans-74.90-175.4-171.653.79100112.7M134 V161 Y163 M213 C214M134-Q217 HydrophobicContact CE-CB 4.25Å; V161-Q217 HydrophobicContact CG2-CB 4.3Å; V161-Q217 HydrophobicContact CG2-CG 4.35Å; Y163-Q217 HydrophobicContact CD1-CG 3.92Å; Y163-Q217 HydrophobicContact CD2-CG 4.41Å; Y163-Q217 HydrophobicContact CE1-CG 4.01Å; Y163-Q217 HydrophobicContact CE2-CG 4.48Å; Y163-Q217 HydrophobicContact CG-CG 4.14Å; M213-Q217 PolarHBondContact O-N 3.29Å; M213-Q217 VanDerWaalsContact O-N 3.15Å; C214-Q217 PolarHBondContact O-N 2.9Å

Retrieved 217 of 217 residues in 35 ms (Link to these results)