A0A077ZMR6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 438 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
1M45.1Very low47.9Very low244 Ų244164.3 Ų164.3100%1.20287%0.866SS**  098.80-84.3-79.2158.200108.1
2P49.2Very low47.3Very low125 Ų125162.8 Ų162.881%0.81286%0.857SS**  trans-105.5152.7-170.837.2-27.6000112.5
3A48.2Very low46.8Very low97 Ų97157.7 Ų157.780%0.80284%0.843SS**  trans165.9126.4131.100000111.8
4P61Low46.2Very low117 Ų117156.4 Ų156.476%0.7684%0.844SS**  trans-109171.7167.638.1-27.6000111.9
5R45.5Very low46.1Very low242 Ų242151.5 Ų151.591%0.91385%0.845SS**  trans147.7130.9140.6-83.9169.2178.5-139.7-0.1112.3
6S55.7Low45.8Very low121 Ų121153.7 Ų153.785%0.84685%0.853SS**  -166.6127.9125.8-172.10000110.6
7S40.8Very low45.9Very low111 Ų111149.4 Ų149.478%0.77685%0.852SS**  trans-100.5149.6177.7-54.70000110
8R51.5Low45.8Very low260 Ų260154.3 Ų154.398%0.98186%0.855SS**  trans-145.4127.4151.4-112.3179.9-177.6-167.20.4110.9
9S38.3Very low45.8Very low97 Ų97151.8 Ų151.868%0.67884%0.844SS**  trans-112.4140.8177.1177.70000108.2
10L50.4Low45.7Very low184 Ų184154.5 Ų154.596%0.96384%0.84SS**  trans-136.8148.4157.5-78.3175.7000108.9
11R40.8Very low45.7Very low209 Ų209158.2 Ų158.279%0.78984%0.842SS**  trans-135161.4-149.9-133.6-170.2-146.9-155.46.6108.1
12L41Very low45.6Very low146 Ų146150.2 Ų150.276%0.76482%0.822SS**  trans79.4144.6154.6-57.5149.7000115.9
13S40.9Very low45.3Very low97 Ų97155.7 Ų155.768%0.67883%0.826SS**  cis-168.6157.9-1.4-101.30000112.4
14T39.2Very low45Very low139 Ų139157 Ų15785%0.85383%0.83SS**  trans-37.4153.416732.60000121.5
15G43.6Very low44.1Very low83 Ų83156.6 Ų156.686%0.85683%0.825SS**  trans-164.3108.4154.700000113.7
16L42.3Very low44Very low187 Ų187156.5 Ų156.598%0.97983%0.825SS**  trans-95141.7175.6-83.4161000111.3
17G46.9Very low43.3Very low81 Ų81156.5 Ų156.584%0.83582%0.819SS**  trans-146.8136.1169.900000110.7
18R44.4Very low43.5Very low237 Ų237156.4 Ų156.489%0.89481%0.814SS**  trans-128.9166-150.8-163.2-164.5-165.9-165.76.9109
19V46.2Very low43Very low108 Ų108154.6 Ų154.666%0.65581%0.807SS**  trans84.5140.1151.9-176.10000115.6
20R43.5Very low43.1Very low204 Ų204155.3 Ų155.377%0.7781%0.808SS**  cis-164.6140.66.1-119.2164.4-179175.8-5.6108.6
21R46.4Very low42.8Very low234 Ų234153.1 Ų153.188%0.88380%0.802SS**  67.1134.1104.9-73.7-171.2-173-162.8-0.8120.5
22G41.9Very low42.7Very low75 Ų75148.2 Ų148.277%0.77380%0.797SS**  trans133.289.7146.300000112.4
23R43.1Very low42.7Very low240 Ų240146.8 Ų146.891%0.90680%0.799SS**  54.7105.571.2-151-175.3-162.4-158.75.8113.9
24S42.2Very low43Very low124 Ų124147 Ų14787%0.86780%0.799SS**  trans-158.4141.1139.8-156.40000112.4
25T41.1Very low43.2Very low109 Ų109151.7 Ų151.767%0.66980%0.801SS**  trans-119.1144-167.137.10000110.4
26R43Very low43.2Very low240 Ų240152.7 Ų152.791%0.90679%0.794SS**  trans-165.9113153.8-113.8-179.5-177177.90.9105.4
27V41.7Very low43.4Very low121 Ų121149.8 Ų149.873%0.73379%0.79SS**  cis58.7137.844.4-161.80000112.7
28V44.8Very low43.1Very low110 Ų110149.7 Ų149.767%0.66779%0.788SS**  trans97.5122.8165.8-170.30000111.5
29R41.5Very low43Very low221 Ų221149.8 Ų149.883%0.83479%0.789SS**  cis-163.2139.118-130.5160.8161.2134.2-6.8110.5
30T41.2Very low42.8Very low112 Ų112149.1 Ų149.169%0.68779%0.789SS**  trans-10.2147.9141.149.50000119
31V43.7Very low43.1Very low139 Ų139145.7 Ų145.784%0.84279%0.791SS**  -167.1137.8100159.60000110.5
32P39.2Very low42.8Very low106 Ų106140.2 Ų140.269%0.68879%0.786SS**  trans-117.1163-174.141.8-31.3000116.3
33S40.7Very low42.5Very low115 Ų115144.4 Ų144.480%0.80479%0.785SS**  trans58.1178.7145.1-110.70000120
34P47.1Very low42.3Very low103 Ų103142.3 Ų142.367%0.66979%0.788SS**  cis-140.9-165.3-20.530.2-6.8000113.9
35R42.7Very low42.1Very low237 Ų237140.8 Ų140.889%0.89478%0.777SS**  trans110.2124160-60.8173.6179.1-143.1-1.1111.6
36S44.7Very low42.1Very low104 Ų104140.2 Ų140.273%0.72778%0.784SS**  cis-163.5140.444.5550000113.8
37S46.5Very low41.9Very low126 Ų126137.5 Ų137.588%0.88178%0.781SS**  trans67.7116.4133.3-540000121.6
38G40.2Very low41.7Very low78 Ų78140.7 Ų140.780%0.80479%0.785SS**  trans150.585.9140.700000118.4
39R41.5Very low41.3Very low240 Ų240142.3 Ų142.391%0.90679%0.79SS**  trans80.994.2138.9-145.7167.8-147.8-142.23.4120
40S42.7Very low41.4Very low94 Ų94135.6 Ų135.666%0.65778%0.778SS**  30.6135.7125.549.10000119.5
41T48.8Very low41.4Very low131 Ų131138.4 Ų138.480%0.80478%0.782SS**  cis170.3171.517.124.50000105.6
42P41.2Very low41.6Very low120 Ų120136.3 Ų136.378%0.77978%0.78SS**  cis-127.4174.9-43.238.2-20.7000113.3
43E34.4Very low42.5Very low162 Ų162137.5 Ų137.576%0.75779%0.785SS**  trans-60.4153.8176.9-65.5159.497.700116.6
44M40.1Very low43Very low197 Ų197137.6 Ų137.697%0.9778%0.782SS**  trans-134.289.8133.7-90.6-176.871.800108.3
45S37.3Very low43.4Very low92 Ų92137.4 Ų137.464%0.64378%0.775SS**  trans-83.1119.7161.3-61.60000107.8
46A40.9Very low44.8Very low97 Ų97130.5 Ų130.580%0.80276%0.761SS**  trans-102.195.2160.800000107.5F48A46-F48 PolarHBondContact O-N 2.72Å
47E38.3Very low46.2Very low183 Ų183132.4 Ų132.486%0.85576%0.763SS**  trans-60.1117.6159.1-76.3172.7124.900108.2
48F39.3Very low47.6Very low187 Ų187133.9 Ų133.982%0.8276%0.756SS**  trans-10885.6161.1-141.4-89.6000107A46 S50A46-F48 PolarHBondContact O-N 2.72Å; F48-S50 WeakPolarHBondContact CD1-OG 3.19Å; F48-S50 WeakPolarHBondContact CE1-OG 3.49Å; F48-S50 PolarHBondContact O-N 3.13Å
49D36.2Very low49.2Very low144 Ų144131.5 Ų131.577%0.7773%0.729SS**  trans-73.3117.3166.1-142.4-5.1000106.7
50S42.5Very low50.9Low81 Ų81124 Ų12457%0.56670%0.704SS**  trans-142.486.9172.2-82.30000108.6F48 A52F48-S50 WeakPolarHBondContact CD1-OG 3.19Å; F48-S50 WeakPolarHBondContact CE1-OG 3.49Å; F48-S50 PolarHBondContact O-N 3.13Å; S50-A52 PolarHBondContact O-N 3.45Å
51H42.4Very low52.8Low171 Ų171123.2 Ų123.279%0.79270%0.696SS**  trans10.394.1144.8-67.1-70.8000115V53H51-V53 PolarHBondContact O-N 2.97Å
52A47.8Very low54.4Low95 Ų95122 Ų12279%0.78568%0.683SS**  trans-63.3115.1159.600000108.5S50S50-A52 PolarHBondContact O-N 3.45Å
53V56.4Low56.2Low131 Ų131119.9 Ų119.979%0.79467%0.669SS**PPolyproline II helixtrans-56.4125.9170.3177.40000108H51 L55H51-V53 PolarHBondContact O-N 2.97Å; V53-L55 PolarHBondContact O-N 2.93Å; V53-L55 VanDerWaalsContact O-N 3.17Å
54P52.5Low58.6Low116 Ų116116.3 Ų116.375%0.75366%0.655SS**PPolyproline II helixtrans-63.4121.2179.9-15.127.6000109.2
55L55.2Low60.6Low100 Ų100112.7 Ų112.752%0.52464%0.635SS.*PPolyproline II helixtrans-56137.6166.8-85.5158.8000108.5V53 N57 A59V53-L55 PolarHBondContact O-N 2.93Å; V53-L55 VanDerWaalsContact O-N 3.17Å; L55-N57 PolarHBondContact O-N 3.2Å; L55-A59 HydrophobicContact CB-CB 4.25Å; L55-A59 HydrophobicContact CD2-CB 4.06Å
56P71.7Confident62.8Low92 Ų92113.7 Ų113.760%0.59763%0.633SS**PPolyproline II helixtrans-52.7139.3177.320.1-30.2000109.2E58 A59 Q60P56-E58 PolarHBondContact O-N 3.34Å; P56-A59 HydrophobicContact CG-CB 4.31Å; P56-A59 PolarHBondContact O-N 2.86Å; P56-Q60 PolarHBondContact O-N 3.31Å
57N74.8Confident64.8Low144 Ų144111.9 Ų111.977%0.7761%0.614SS**Hα-helixtrans-45.4-36.7-169.8-72-25.2000113.1L55 Q60 T61L55-N57 PolarHBondContact O-N 3.2Å; N57-Q60 PolarHBondContact O-N 3.46Å; N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.45Å
58E76.1Confident66.9Low156 Ų156106 Ų10673%0.72960%0.597SS**Hα-helixtrans-58.4-47.4176.2-64.1-173.3170.900113.6P56 T61 L62P56-E58 PolarHBondContact O-N 3.34Å; E58-T61 VanDerWaalsContact C-OG1 3.28Å; E58-T61 WeakPolarHBondContact CA-OG1 3.48Å; E58-T61 PolarHBondContact O-N 3.02Å; E58-T61 PolarHBondContact O-OG1 3.36Å; E58-L62 PolarHBondContact O-N 3.01Å
59A74.2Confident69.2Low29 Ų29101.7 Ų101.724%0.2459%0.586CS.*Hα-helixtrans-66.1-39178.100000111.5L55 P56 T61 L62 V63L55-A59 HydrophobicContact CB-CB 4.25Å; L55-A59 HydrophobicContact CD2-CB 4.06Å; P56-A59 HydrophobicContact CG-CB 4.31Å; P56-A59 PolarHBondContact O-N 2.86Å; A59-T61 VanDerWaalsContact C-N 3.34Å; A59-L62 PolarHBondContact O-N 3.5Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.93Å
60Q76.8Confident71.4Confident82 Ų8299.8 Ų99.838%0.38358%0.575SS.*Hα-helixtrans-65.2-38.6174.2-168.163.842.400111.3P56 N57 V63 N64P56-Q60 PolarHBondContact O-N 3.31Å; N57-Q60 PolarHBondContact O-N 3.46Å; Q60-V63 PolarHBondContact O-N 3.48Å; Q60-N64 PolarHBondContact NE2-OD1 2.93Å; Q60-N64 WeakPolarHBondContact O-CB 3.38Å; Q60-N64 PolarHBondContact O-N 3.31Å; Q60-N64 PolarHBondContact O-ND2 3.06Å; Q60-N64 PolarHBondContact O-OD1 3.16Å
61T82.4Confident73.3Confident78 Ų78100.7 Ų100.748%0.47957%0.574SS.*Hα-helixtrans-61.7-42.5171.913.30000112.4N57 E58 A59 N64 Q65N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.45Å; E58-T61 VanDerWaalsContact C-OG1 3.28Å; E58-T61 WeakPolarHBondContact CA-OG1 3.48Å; E58-T61 PolarHBondContact O-N 3.02Å; E58-T61 PolarHBondContact O-OG1 3.36Å; A59-T61 VanDerWaalsContact C-N 3.34Å; T61-N64 PolarHBondContact O-N 3.34Å; T61-Q65 WeakPolarHBondContact O-CB 3.21Å; T61-Q65 WeakPolarHBondContact O-CG 3.39Å; T61-Q65 PolarHBondContact O-N 3.45Å
62L81.6Confident75.3Confident104 Ų10495.7 Ų95.755%0.54556%0.558SS.*Hα-helixtrans-64.1-43.8177.5-76172.9000111.8E58 A59 N64 Q65 L66E58-L62 PolarHBondContact O-N 3.01Å; A59-L62 PolarHBondContact O-N 3.5Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.1Å; L62-Q65 PolarHBondContact O-N 2.77Å; L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 PolarHBondContact O-N 3.34Å
63V80.1Confident77.2Confident77 Ų7796.8 Ų96.847%0.46755%0.546SS..Hα-helixtrans-61-43.8175.2171.80000110.7A59 Q60 L66 S67A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.93Å; Q60-V63 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 2.82Å; V63-S67 WeakPolarHBondContact O-CB 3.19Å; V63-S67 PolarHBondContact O-N 2.87Å
64N83.2Confident78.4Confident87 Ų8795.5 Ų95.547%0.46553%0.534SS..Hα-helixtrans-66.3-38.5177.5-68-15.1000111.9Q60 T61 L62 A68Q60-N64 PolarHBondContact NE2-OD1 2.93Å; Q60-N64 WeakPolarHBondContact O-CB 3.38Å; Q60-N64 PolarHBondContact O-N 3.31Å; Q60-N64 PolarHBondContact O-ND2 3.06Å; Q60-N64 PolarHBondContact O-OD1 3.16Å; T61-N64 PolarHBondContact O-N 3.34Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.1Å; N64-A68 VanDerWaalsContact O-CB 3.29Å; N64-A68 WeakPolarHBondContact O-CB 3.38Å; N64-A68 PolarHBondContact O-N 3.43Å
65Q83.9Confident79.9Confident121 Ų12191.7 Ų91.757%0.56552%0.516SS*.Hα-helixtrans-65.7-46175.4-81.4-175.3-36.800111.7T61 L62 A68 T69T61-Q65 WeakPolarHBondContact O-CB 3.21Å; T61-Q65 WeakPolarHBondContact O-CG 3.39Å; T61-Q65 PolarHBondContact O-N 3.45Å; L62-Q65 PolarHBondContact O-N 2.77Å; Q65-A68 PolarHBondContact O-N 2.79Å; Q65-T69 WeakPolarHBondContact O-CB 3.48Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 3.28Å
66L82.4Confident81.2Confident112 Ų11292.8 Ų92.859%0.58652%0.518SS*.Hα-helixtrans-60.3-46.2175.4-89.7157.3000111.4L62 V63 A68 T69 L70L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 PolarHBondContact O-N 3.34Å; V63-L66 PolarHBondContact O-N 2.82Å; L66-A68 PolarHBondContact O-N 2.8Å; L66-T69 PolarHBondContact O-N 3.23Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.15Å
67S81.9Confident81.5Confident59 Ų5991.9 Ų91.941%0.41351%0.508SS..Hα-helixtrans-60.6-44.7176.2-173.80000111.8V63 T69 L70 N71V63-S67 WeakPolarHBondContact O-CB 3.19Å; V63-S67 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact O-N 2.7Å; S67-L70 PolarHBondContact O-N 3.44Å; S67-N71 WeakPolarHBondContact O-CB 3.49Å; S67-N71 VanDerWaalsContact O-CG 3.26Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.5Å; S67-N71 PolarHBondContact OG-ND2 3.36Å
68A84.4Confident81.9Confident61 Ų6193.2 Ų93.250%0.50450%0.502SS..Hα-helixtrans-63.2-41.117700000112.2N64 Q65 L66 N71 S72N64-A68 VanDerWaalsContact O-CB 3.29Å; N64-A68 WeakPolarHBondContact O-CB 3.38Å; N64-A68 PolarHBondContact O-N 3.43Å; Q65-A68 PolarHBondContact O-N 2.79Å; L66-A68 PolarHBondContact O-N 2.8Å; A68-N71 PolarHBondContact O-N 3.33Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.96Å
69T86Confident82.2Confident96 Ų9693.2 Ų93.259%0.58950%0.502SS*.Hα-helixtrans-66.8-45.2-179.7-500000110.7Q65 L66 S67 S72 F73Q65-T69 WeakPolarHBondContact O-CB 3.48Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 3.28Å; L66-T69 PolarHBondContact O-N 3.23Å; S67-T69 PolarHBondContact O-N 2.7Å; T69-S72 PolarHBondContact O-N 2.91Å; T69-F73 WeakPolarHBondContact O-CB 3.27Å; T69-F73 PolarHBondContact O-N 3.45Å
70L82.5Confident82.5Confident103 Ų10397.5 Ų97.554%0.53952%0.517SS..Hα-helixtrans-64-43.9176.2-75.8170.7000111.9L66 S67 S72 F73 L74L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.15Å; S67-L70 PolarHBondContact O-N 3.44Å; L70-S72 VanDerWaalsContact C-N 3.35Å; L70-S72 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 3.19Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.1Å
71N83.3Confident82.3Confident101 Ų10197.4 Ų97.454%0.5452%0.519SS..Hα-helixtrans-65.6-37.5177.5-74.2-40.6000112.2S67 A68 G75S67-N71 WeakPolarHBondContact O-CB 3.49Å; S67-N71 VanDerWaalsContact O-CG 3.26Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.5Å; S67-N71 PolarHBondContact OG-ND2 3.36Å; A68-N71 PolarHBondContact O-N 3.33Å; N71-G75 PolarHBondContact O-N 3.02Å
72S84.9Confident82.2Confident66 Ų6697.8 Ų97.846%0.46252%0.521SS..Hα-helixtrans-63.9-46.2173.7-177.10000111.6A68 T69 L70 G75 Q76A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-N 2.91Å; L70-S72 VanDerWaalsContact C-N 3.35Å; L70-S72 PolarHBondContact O-N 3.48Å; S72-G75 PolarHBondContact O-N 2.79Å; S72-Q76 WeakPolarHBondContact O-CG 3.37Å; S72-Q76 PolarHBondContact O-N 3.33Å
73F86.2Confident81.8Confident117 Ų11796 Ų9651%0.51352%0.517SS..Hα-helixtrans-62.1-45.7178178.5-107.1000111.6T69 L70 G75 Q76 L77T69-F73 WeakPolarHBondContact O-CB 3.27Å; T69-F73 PolarHBondContact O-N 3.45Å; L70-F73 PolarHBondContact O-N 3.19Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.83Å; F73-Q76 PolarHBondContact O-N 3.46Å; F73-L77 HydrophobicContact CD1-CD1 4Å; F73-L77 HydrophobicContact CE1-CD1 3.34Å; F73-L77 HydrophobicContact CE2-CD1 4.24Å; F73-L77 HydrophobicContact CZ-CD1 3.47Å; F73-L77 VanDerWaalsContact CZ-CD1 3.47Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.14Å; F73-L77 PolarHBondContact O-N 3.28Å
74L82.8Confident81.3Confident105 Ų10598.3 Ų98.355%0.5553%0.526SS..Hα-helixtrans-63.7-33.4175.5-70174000112.4L70 R78L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.1Å; L74-R78 WeakPolarHBondContact O-CB 3.33Å; L74-R78 PolarHBondContact O-N 2.93Å; L74-R78 VanDerWaalsContact O-N 3.09Å
75G83Confident80Confident36 Ų36104 Ų10437%0.37154%0.541SS..Hα-helixtrans-64-49.5172.900000112.5N71 S72 F73 R78 E79N71-G75 PolarHBondContact O-N 3.02Å; S72-G75 PolarHBondContact O-N 2.79Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.83Å; G75-R78 WeakPolarHBondContact O-CB 3.43Å; G75-R78 PolarHBondContact O-N 3.38Å; G75-R78 VanDerWaalsContact O-N 3.15Å; G75-E79 PolarHBondContact O-N 3.17Å
76Q83.4Confident78.6Confident122 Ų122103.4 Ų103.457%0.5755%0.546SS*.Hα-helixtrans-61.6-45.4177.1-72.6175.2-1.800112S72 F73 R78 E79 E80S72-Q76 WeakPolarHBondContact O-CG 3.37Å; S72-Q76 PolarHBondContact O-N 3.33Å; F73-Q76 PolarHBondContact O-N 3.46Å; Q76-R78 PolarHBondContact O-N 3.45Å; Q76-E79 PolarHBondContact O-N 3.22Å; Q76-E79 VanDerWaalsContact O-N 3.15Å; Q76-E80 WeakPolarHBondContact O-CG 3.29Å; Q76-E80 PolarHBondContact O-N 3.47Å
77L76.9Confident76.6Confident74 Ų74102.6 Ų102.639%0.38755%0.549SS..Hα-helixtrans-57.6-37.6175-114.2158.8000112F73 L81F73-L77 HydrophobicContact CD1-CD1 4Å; F73-L77 HydrophobicContact CE1-CD1 3.34Å; F73-L77 HydrophobicContact CE2-CD1 4.24Å; F73-L77 HydrophobicContact CZ-CD1 3.47Å; F73-L77 VanDerWaalsContact CZ-CD1 3.47Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.14Å; F73-L77 PolarHBondContact O-N 3.28Å; L77-L81 HydrophobicContact CD2-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.33Å; L77-L81 PolarHBondContact O-N 2.9Å
78R83.8Confident74.7Confident171 Ų171105.3 Ų105.365%0.64557%0.566SS**Hα-helixtrans-70.8-38.6178-168.7177.3179.3-169.2-3.1112.1L74 G75 Q76 V82L74-R78 WeakPolarHBondContact O-CB 3.33Å; L74-R78 PolarHBondContact O-N 2.93Å; L74-R78 VanDerWaalsContact O-N 3.09Å; G75-R78 WeakPolarHBondContact O-CB 3.43Å; G75-R78 PolarHBondContact O-N 3.38Å; G75-R78 VanDerWaalsContact O-N 3.15Å; Q76-R78 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-CG2 3.23Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.1Å
79E82.1Confident72.5Confident157 Ų157106.6 Ų106.673%0.73458%0.576SS**Hα-helixtrans-68.5-42.6174.6-72-147.116700112.3G75 Q76 L81 V82 S83G75-E79 PolarHBondContact O-N 3.17Å; Q76-E79 PolarHBondContact O-N 3.22Å; Q76-E79 VanDerWaalsContact O-N 3.15Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 2.95Å; E79-V82 PolarHBondContact O-N 3.27Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E79-S83 PolarHBondContact O-N 2.9Å
80E81Confident70.4Confident119 Ų119107.8 Ų107.856%0.55659%0.586SS**Hα-helixtrans-60.4-42.8174.7-74.7-65.6156.400111.8Q76 V82 S83 L84Q76-E80 WeakPolarHBondContact O-CG 3.29Å; Q76-E80 PolarHBondContact O-N 3.47Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-OG 3.33Å; E80-S83 VanDerWaalsContact O-OG 3.07Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.49Å
81L72.1Confident68.1Low80 Ų80108 Ų10842%0.41960%0.602SS.*Hα-helixtrans-68.5-26.7176.2-73.7171.6000113.3L77 E79 R85L77-L81 HydrophobicContact CD2-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.33Å; L77-L81 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 2.95Å; L81-R85 WeakPolarHBondContact O-CG 3.32Å
82V79.6Confident65.9Low85 Ų85107.9 Ų107.952%0.51562%0.615SS.*Hα-helixtrans-78.3-41.4173.5170.60000110.5R78 E79 E80 L84 R85 V86R78-V82 VanDerWaalsContact O-CG2 3.23Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.1Å; E79-V82 PolarHBondContact O-N 3.27Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.86Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.68Å; V82-R85 PolarHBondContact O-N 2.88Å; V82-R85 VanDerWaalsContact O-N 3.09Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.47Å
83S75.2Confident63.5Low68 Ų68109 Ų10948%0.47663%0.628SS.*Hα-helixtrans-62.2-41.4177.287.20000111.2E79 E80 R85 V86E79-S83 PolarHBondContact O-N 2.9Å; E80-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-OG 3.33Å; E80-S83 VanDerWaalsContact O-OG 3.07Å; S83-R85 PolarHBondContact O-N 3.46Å; S83-V86 PolarHBondContact O-N 2.89Å
84L68.4Low61.1Low125 Ų125108.3 Ų108.365%0.65464%0.644SS**THydrogen-bonded Turntrans-63.5-24.3175.3-75.5166.8000113.3E80 V82E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.49Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.68Å
85R56.3Low58.9Low206 Ų206109.6 Ų109.678%0.77766%0.657SS**THydrogen-bonded Turntrans-88.8-12178.9-77.6-179.6179.1173.82114.2L81 V82 S83L81-R85 WeakPolarHBondContact O-CG 3.32Å; V82-R85 PolarHBondContact O-N 2.88Å; V82-R85 VanDerWaalsContact O-N 3.09Å; S83-R85 PolarHBondContact O-N 3.46Å
86V55.1Low56.7Low109 Ų109115.6 Ų115.666%0.66168%0.679SS**SBendtrans-100.32-176179.50000112.7V82 S83 P88V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.47Å; S83-V86 PolarHBondContact O-N 2.89Å; V86-P88 WeakPolarHBondContact O-CD 3.39Å
87S38.7Very low54.4Low95 Ų95115.9 Ų115.966%0.66470%0.695SS**  trans-97.996.7172.8-170.10000111.6A89S87-A89 PolarHBondContact O-N 2.93Å
88P42.6Very low52.5Low116 Ų116117.7 Ų117.775%0.75371%0.709SS**  trans-70.3110.3165.429.2-30.9000108.2V86V86-P88 WeakPolarHBondContact O-CD 3.39Å
89A38.2Very low50.1Low87 Ų87118.5 Ų118.572%0.71972%0.718SS**PPolyproline II helixtrans-60.3133.9168.500000109.3S87S87-A89 PolarHBondContact O-N 2.93Å
90P43.1Very low48Very low122 Ų122117.9 Ų117.979%0.79273%0.725SS**PPolyproline II helixtrans-70139.9177.529.3-31.7000109.9A92P90-A92 PolarHBondContact O-N 3.48Å
91A33.3Very low45.8Very low108 Ų108118.9 Ų118.989%0.89373%0.734SS**PPolyproline II helixtrans-49.8125.6-178.500000112.9
92A38Very low44.1Very low98 Ų98119.7 Ų119.781%0.8175%0.746SS**  trans-117.2106.2163.400000109.3P90P90-A92 PolarHBondContact O-N 3.48Å
93A34Very low42.2Very low89 Ų89123.7 Ų123.774%0.73676%0.76SS**  trans62.7104.3146.800000119.2
94A36.3Very low40.5Very low102 Ų102128.4 Ų128.484%0.84377%0.774SS**  trans-53.5139.8145.100000110.9
95T36.6Very low39.2Very low133 Ų133128.5 Ų128.582%0.81678%0.78SS**  trans-144.9101.1157.6-49.70000107.7
96L35.6Very low38.7Very low162 Ų162124.3 Ų124.385%0.84878%0.779SS**  trans-160.793.7155.6-100.6167.8000106.3
97S34.9Very low37.9Very low128 Ų128123.7 Ų123.790%0.89579%0.786SS**  trans-161.292159.2-77.80000110.3
98T37.5Very low37.9Very low112 Ų112123.7 Ų123.769%0.68779%0.791SS**  trans-111.3137152.232.60000104.5
99F33.8Very low37.7Very low187 Ų187129.6 Ų129.682%0.8280%0.799SS**  cis-164.4133.323.7-114.7-77.5000107
100T37.6Very low38Very low144 Ų144130.9 Ų130.988%0.88380%0.802SS**  trans-160.1115.9136.231.90000109.6
101D34.9Very low37.6Very low141 Ų141132.7 Ų132.775%0.75481%0.805SS**  trans41.4114.7157.7-103.4-32.5000123.5
102S37Very low38.2Very low97 Ų97136.5 Ų136.568%0.67881%0.81SS**  28.1124.8119.2-38.70000117.5
103Q38.5Very low38.1Very low169 Ų169138.5 Ų138.579%0.7981%0.807SS**  -168.6159.754.1-79.5-169.1-0.100111.7
104Q39.3Very low38.5Very low166 Ų166145.1 Ų145.178%0.77681%0.813SS**  trans94.573.6150.1-93.7159.1-9.500121.9
105T42.6Very low38.6Very low128 Ų128144.5 Ų144.579%0.78580%0.802SS**  30.8162.6110.43.10000122.8
106P44.8Very low38.9Very low117 Ų117148.5 Ų148.576%0.7680%0.804SS**  -135.2-177.4-90.145.1-27.5000114.2
107A38.1Very low39.2Very low97 Ų97146.1 Ų146.180%0.80280%0.801SS**  trans-177142.2142.800000115.6
108A38.9Very low39.3Very low94 Ų94144.6 Ų144.678%0.77780%0.796SS**  trans72.6112.3154.800000119.3
109R39.4Very low39.8Very low241 Ų241145.3 Ų145.391%0.90980%0.802SS**  cis93.2114.549.4-84.4-171.9155.5174.5-4.5114.5
110S43.4Very low39.9Very low114 Ų114140.6 Ų140.680%0.79780%0.798SS**  trans155.9104.2133.748.80000109.6
111N35.3Very low40.1Very low160 Ų160139.3 Ų139.386%0.85679%0.79SS**  5511384.8-81.2-21.2000115.8
112L46Very low40.5Very low187 Ų187140.6 Ų140.698%0.97979%0.793SS**  trans-155.3128.7132.7-117.2124.4000111.3
113D36.7Very low40.4Very low140 Ų140140.9 Ų140.975%0.74979%0.793SS**  trans-101142.4-168.3-158.1-7.2000109.2
114R42.3Very low40.3Very low228 Ų228138.4 Ų138.486%0.8679%0.794SS**  trans-156.5104.2160.7-154.7167.4-169.9169.82.6112.4
115S36.6Very low40.3Very low89 Ų89134.9 Ų134.962%0.62279%0.794SS**  trans-66.8148.5173.4-31.50000112.9
116Y43Very low40.2Very low218 Ų218137.2 Ų137.286%0.85580%0.796SS**  trans-149.1134.8144.2-107.7-81.6000111.2
117S43.5Very low40.1Very low111 Ų111142.1 Ų142.178%0.77680%0.801SS**  trans-80.1152.5-162.3-46.20000115.1
118A35.3Very low40.3Very low97 Ų97143.6 Ų143.680%0.80280%0.8SS**  trans-81.7155.9160.300000111.3
119P48.1Very low40.8Very low126 Ų126145 Ų14582%0.81880%0.798SS**  trans-111.6134.7153.233.6-22.1000111.2
120A36.1Very low40.9Very low89 Ų89139.1 Ų139.174%0.73679%0.791SS**  trans-81.1175.7167.400000111.4
121V42.7Very low40.7Very low117 Ų117139.3 Ų139.371%0.70979%0.793SS**  trans102110.8152.7-166.10000116.5
122M42.4Very low41.1Very low167 Ų167141.2 Ų141.282%0.82380%0.797SS**  177.9123.6114.7-89.8-78.8101.800109.9
123P36.5Very low40.9Very low104 Ų104138.4 Ų138.468%0.67579%0.787SS**  trans-105.4153.6165.735.6-25.5000113
124S35.1Very low41.4Very low117 Ų117138.3 Ų138.382%0.81879%0.792SS**  trans64.6117.9153.7-57.60000120.5
125A40.2Very low41.1Very low92 Ų92132.4 Ų132.476%0.7678%0.783SS**  trans-124.3109.314800000108.4
126E38.9Very low41.3Very low177 Ų177132.6 Ų132.683%0.82779%0.79SS**  trans-64.5132.4169.6-76.8163.1117.600110.4
127Y44.6Very low40.9Very low220 Ų220130.1 Ų130.186%0.86379%0.786SS**  trans-103.4102.1160.3-87.1-89.6000108.4
128T41.3Very low40.8Very low128 Ų128131.6 Ų131.679%0.78578%0.782SS**  trans-75.8119.2166.1-52.30000108.8
129V49.1Very low41Very low122 Ų122136.1 Ų136.174%0.73978%0.784SS**  trans-105.5131.8166.1179.20000107.9
130P42.7Very low40.3Very low118 Ų118134.3 Ų134.377%0.76678%0.779SS**PPolyproline II helixtrans-72.1130.5-179.9-13.328.3000112.1
131S38.3Very low40.4Very low118 Ų118135.6 Ų135.683%0.82578%0.78SS**PPolyproline II helixtrans-73.3126.6165.8-89.80000110.8
132E44.1Very low40.3Very low201 Ų201136.2 Ų136.294%0.93979%0.79SS**PPolyproline II helixtrans-96.9125.5158.6-113.4-178.9150.100109.7
133T41.9Very low40Very low127 Ų127137.2 Ų137.278%0.77979%0.789SS**PPolyproline II helixtrans-79.3128.6-176.2-570000111.4
134V45.8Very low39.8Very low139 Ų139138.6 Ų138.684%0.84280%0.8SS**  trans-138.7131.5152.7-174.60000108.6
135P37.8Very low39.7Very low104 Ų104139.6 Ų139.668%0.67580%0.796SS**  trans-98.1150.8-165.437.1-33.3000115.3
136A38.9Very low39.7Very low93 Ų93142 Ų14277%0.76980%0.801SS**  trans70149.7131.700000123.2
137E36.2Very low39.4Very low166 Ų166141.2 Ų141.278%0.77680%0.803SS**  trans82.9128.8171.6-67.8-167.3114.400116.6
138M40.1Very low39Very low141 Ų141134 Ų13470%0.69580%0.795SS**  cis-164.9144.720.3-131.6165.9177.300110.9
139K39.3Very low38.7Very low192 Ų192135.2 Ų135.284%0.83580%0.802SS**  trans70.8106.4147.7-93.3169.4173.6173.40122
140A34.6Very low37.8Very low88 Ų88132.9 Ų132.973%0.72780%0.803SS**  trans-88.6-158.3155.500000110.7
141P39.1Very low37.5Very low117 Ų117132.8 Ų132.876%0.7681%0.806SS**  -130.7175.3-72.335.4-18.7000112.1
142S40.2Very low37.2Very low129 Ų129137.4 Ų137.490%0.90281%0.811SS**  trans-141.8122.9159.4-90.30000113.1
143K34.4Very low36.8Very low188 Ų188133.7 Ų133.782%0.81781%0.806SS**  trans-74.4155.7169-67.7170.3173.5177.10110.2
144C34.3Very low36.3Very low133 Ų133130.5 Ų130.590%0.89980%0.798SS**  -159.1127.2128.6-1010000110.9
145L31.6Very low35.6Very low139 Ų139128.1 Ų128.173%0.72879%0.793SS**  trans-67.1154.4163.5-74.188.4000110.1
146T40.8Very low35.3Very low141 Ų141133.1 Ų133.187%0.86581%0.805SS**  -165.9131.4121.4430000110.6
147D32.1Very low35.1Very low162 Ų162134 Ų13487%0.86680%0.801SS**  trans-58.3152.8169.5-70-54.7000113.3
148G36.5Very low34.9Very low69 Ų69134.3 Ų134.371%0.71181%0.807SS**  trans176.376174.400000113.7
149T35.7Very low34.7Very low152 Ų152136.2 Ų136.293%0.93381%0.812SS**  trans-0.8124.7152.629.10000118.5
150G29.2Very low34.6Very low74 Ų74134.6 Ų134.676%0.76381%0.812SS**  trans109.685.5137.600000116.8
151S35.9Very low35.1Very low116 Ų116141.8 Ų141.881%0.81182%0.82SS**  trans-164.4119.9138.3-116.60000112.1C153S151-C153 PolarHBondContact O-N 2.93Å
152K32.8Very low35.9Very low214 Ų214142.5 Ų142.593%0.9381%0.814SS**  trans-59.499.9168.2-86.8174.1167.5174.60109.1
153C36.5Very low37.2Very low124 Ų124139.9 Ų139.984%0.83880%0.8SS**  trans-92.1111.5159-74.70000108.2S151S151-C153 PolarHBondContact O-N 2.93Å
154G31.7Very low39.1Very low60 Ų60132.2 Ų132.262%0.61977%0.77SS**  trans-55.8136.8178.700000111.7F156G154-F156 PolarHBondContact O-N 3.38Å; G154-F156 VanDerWaalsContact O-N 3.15Å
155A29.7Very low41.2Very low89 Ų89128.2 Ų128.274%0.73674%0.742SS**  trans-58.7113.717100000109.7T157A155-T157 HydrophobicContact CB-CG2 4.48Å; A155-T157 PolarHBondContact O-N 3.36Å
156F31.7Very low43.6Very low209 Ų209122.5 Ų122.592%0.91771%0.712SS**  trans-68.188.1159.3-70.7-81.1000107.2G154 N158G154-F156 PolarHBondContact O-N 3.38Å; G154-F156 VanDerWaalsContact O-N 3.15Å; F156-N158 PolarHBondContact O-N 3.14Å
157T35.8Very low45.5Very low112 Ų112118.9 Ų118.969%0.68769%0.688SS**  trans-65120.1170.854.70000108.1A155 K159A155-T157 HydrophobicContact CB-CG2 4.48Å; A155-T157 PolarHBondContact O-N 3.36Å; T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact O-N 3.49Å
158N32.1Very low47.9Very low172 Ų172112.9 Ų112.992%0.9265%0.653SS**  trans-58.485.1175.8-150.7-25.3000110F156F156-N158 PolarHBondContact O-N 3.14Å
159K34.7Very low50.1Low180 Ų180109.8 Ų109.878%0.78362%0.62SS**  trans-134.119.1-178.2-143.1179.9-175.1178.20113.1T157 R161T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact O-N 3.49Å; K159-R161 PolarHBondContact O-N 3.32Å
160D36.6Very low52Low158 Ų158106.6 Ų106.685%0.84560%0.604SS**  trans-80.572.1162.2-75.3-35.4000108.9Q162D160-Q162 PolarHBondContact O-N 2.82Å
161R45.8Very low53.9Low239 Ų239110.6 Ų110.690%0.90260%0.603SS**  trans-63.5100.9147-82.9-176175.4168.5-1.6104.3K159 A163K159-R161 PolarHBondContact O-N 3.32Å; R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 3.31Å
162Q56.7Low55.5Low133 Ų133106.7 Ų106.762%0.62157%0.572SS**  trans-5699.6173.8-162.9166.59.500106.8D160 S164D160-Q162 PolarHBondContact O-N 2.82Å; Q162-S164 PolarHBondContact O-N 2.87Å
163A66.6Low56.9Low74 Ų74102 Ų10261%0.61256%0.557SS**  trans-57.6128.3-173.200000108R161 D167R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 3.31Å; A163-D167 VanDerWaalsContact CA-OD2 3.22Å; A163-D167 WeakPolarHBondContact CA-OD2 3.32Å; A163-D167 WeakPolarHBondContact CB-OD2 3.4Å
164S73.9Confident57.7Low26 Ų26103.8 Ų103.818%0.18255%0.553CS.*  trans-62.2139.2177.8-165.30000108Q162 D166 D167Q162-S164 PolarHBondContact O-N 2.87Å; S164-D166 WeakPolarHBondContact CB-OD1 3.34Å; S164-D166 PolarHBondContact O-N 3.18Å; S164-D166 PolarHBondContact OG-OD1 3.44Å; S164-D167 VanDerWaalsContact CB-OD1 3.28Å; S164-D167 WeakPolarHBondContact CB-OD1 3.41Å; S164-D167 VanDerWaalsContact N-CG 3.35Å; S164-D167 PolarHBondContact N-OD2 3.12Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 VanDerWaalsContact O-CG 3.29Å; S164-D167 PolarHBondContact O-N 3.03Å
165P79.5Confident58.6Low49 Ų49105.2 Ų105.232%0.31855%0.553SS.*THydrogen-bonded Turntrans-60.8-14-176.124.1-35.4000113.7W168 G207 I210P165-W168 PolarHBondContact O-NE1 2.69Å; P165-G207 VanDerWaalsContact CG-CA 3.44Å; P165-I210 HydrophobicContact CB-CG2 3.81Å; P165-I210 HydrophobicContact CG-CG2 4.26Å
166D81.5Confident59.7Low19 Ų19104.4 Ų104.410%0.10254%0.542CS..THydrogen-bonded Turntrans-1023.7175.949.50.9000114.8S164 W168 I169 W206 I210 V247S164-D166 WeakPolarHBondContact CB-OD1 3.34Å; S164-D166 PolarHBondContact O-N 3.18Å; S164-D166 PolarHBondContact OG-OD1 3.44Å; D166-W168 PolarHBondContact O-N 3.12Å; D166-W168 VanDerWaalsContact O-N 3.12Å; D166-I169 HydrophobicContact CB-CD1 3.97Å; D166-I169 WeakPolarHBondContact O-CB 3.41Å; D166-I169 PolarHBondContact O-N 3.26Å; D166-W206 HydrophobicContact CB-CZ2 4.46Å; D166-W206 PolarHBondContact OD2-NE1 3.18Å; D166-I210 HydrophobicContact CB-CG1 4.35Å; D166-I210 HydrophobicContact CB-CG2 4.48Å; D166-V247 HydrophobicContact CB-CG1 3.85Å; D166-V247 WeakPolarHBondContact OD2-CG2 3.43Å
167D80.2Confident60.7Low65 Ų65102 Ų10235%0.34853%0.534SS..Hα-helixtrans-57-32.2-179.2-79-15.7000112.7A163 S164 I169 S170 H171A163-D167 VanDerWaalsContact CA-OD2 3.22Å; A163-D167 WeakPolarHBondContact CA-OD2 3.32Å; A163-D167 WeakPolarHBondContact CB-OD2 3.4Å; S164-D167 VanDerWaalsContact CB-OD1 3.28Å; S164-D167 WeakPolarHBondContact CB-OD1 3.41Å; S164-D167 VanDerWaalsContact N-CG 3.35Å; S164-D167 PolarHBondContact N-OD2 3.12Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 VanDerWaalsContact O-CG 3.29Å; S164-D167 PolarHBondContact O-N 3.03Å; D167-I169 PolarHBondContact O-N 3.38Å; D167-S170 WeakPolarHBondContact O-CB 3.19Å; D167-S170 PolarHBondContact O-N 3.1Å; D167-S170 VanDerWaalsContact O-N 3.08Å; D167-H171 PolarHBondContact O-CD2 2.87Å; D167-H171 VanDerWaalsContact O-CD2 3.3Å
168W83.7Confident61.5Low36 Ų3699.5 Ų99.514%0.13652%0.519CS..Hα-helixtrans-60.3-28.3177.566.8-88.8000112.9P165 D166 S170 H171 M172 I210 K214 H218 Y251P165-W168 PolarHBondContact O-NE1 2.69Å; D166-W168 PolarHBondContact O-N 3.12Å; D166-W168 VanDerWaalsContact O-N 3.12Å; W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 3.25Å; W168-H171 CarbonylContact O-C 3.57Å; W168-H171 PolarHBondContact O-N 2.97Å; W168-H171 VanDerWaalsContact O-N 3.14Å; W168-M172 HydrophobicContact CE3-CG 3.97Å; W168-M172 HydrophobicContact CE3-SD 4.17Å; W168-M172 HydrophobicContact CZ3-CG 4.05Å; W168-M172 HydrophobicContact CZ3-SD 3.67Å; W168-M172 WeakPolarHBondContact O-CG 3.49Å; W168-M172 PolarHBondContact O-N 2.92Å; W168-I210 HydrophobicContact CZ2-CD1 3.9Å; W168-I210 HydrophobicContact CZ2-CG1 4.04Å; W168-K214 HydrophobicContact CB-CD 4.37Å; W168-K214 HydrophobicContact CD2-CB 4.45Å; W168-K214 HydrophobicContact CD2-CD 3.77Å; W168-K214 HydrophobicContact CD2-CG 3.79Å; W168-K214 HydrophobicContact CE3-CD 4.47Å; W168-K214 HydrophobicContact CE3-CG 4.18Å; W168-K214 HydrophobicContact CG-CD 3.69Å; W168-K214 HydrophobicContact CG-CG 4.27Å; W168-K214 HydrophobicContact CH2-CB 4.35Å; W168-K214 HydrophobicContact CH2-CG 4.21Å; W168-K214 HydrophobicContact CZ2-CB 3.68Å; W168-K214 HydrophobicContact CZ2-CG 3.82Å; W168-K214 HydrophobicContact CZ3-CG 4.38Å; W168-H218 AromaticContact CE3-CD2 3.65Å; W168-H218 AromaticContact CE3-NE2 3.9Å; W168-H218 HydrophobicContact CH2-CB 3.88Å; W168-H218 AromaticContact CH2-CD2 3.83Å; W168-H218 AromaticContact CH2-CG 3.67Å; W168-H218 HydrophobicContact CZ3-CB 4.1Å; W168-H218 AromaticContact CZ3-CD2 3.13Å; W168-H218 WeakPolarHBondContact CZ3-CD2 3.29Å; W168-H218 AromaticContact CZ3-CE1 3.89Å; W168-H218 AromaticContact CZ3-CG 3.39Å; W168-H218 AromaticContact CZ3-ND1 3.86Å; W168-H218 AromaticContact CZ3-NE2 3.45Å; W168-H218 WeakPolarHBondContact CZ3-NE2 3.44Å; W168-Y251 AromaticContact CH2-CD2 3.99Å; W168-Y251 HydrophobicContact CH2-CD2 3.99Å; W168-Y251 AromaticContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CH2-CE2 3.46Å; W168-Y251 VanDerWaalsContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CZ3-CD2 4.2Å; W168-Y251 AromaticContact CZ3-CE2 3.64Å; W168-Y251 HydrophobicContact CZ3-CE2 3.64Å
169I81.3Confident62.3Low5 Ų596.9 Ų96.93%0.02651%0.514CS..Hα-helixtrans-64.2-38.3177.8-62.6172.1000109.6D166 D167 H171 M172 I210 V247 Y251 K254D166-I169 HydrophobicContact CB-CD1 3.97Å; D166-I169 WeakPolarHBondContact O-CB 3.41Å; D166-I169 PolarHBondContact O-N 3.26Å; D167-I169 PolarHBondContact O-N 3.38Å; I169-H171 VanDerWaalsContact C-N 3.28Å; I169-H171 PolarHBondContact O-N 3.3Å; I169-M172 PolarHBondContact O-N 3.21Å; I169-I210 HydrophobicContact CD1-CD1 4Å; I169-I210 HydrophobicContact CD1-CG1 4.1Å; I169-V247 HydrophobicContact CD1-CG1 3.32Å; I169-Y251 HydrophobicContact CD1-CD2 4.36Å; I169-Y251 HydrophobicContact CG1-CD2 4.08Å; I169-Y251 HydrophobicContact CG2-CD2 4.11Å; I169-K254 VanDerWaalsContact O-CD 3.24Å; I169-K254 WeakPolarHBondContact O-CD 3.5Å; I169-K254 WeakPolarHBondContact O-CE 3.32Å; I169-K254 PolarHBondContact O-NZ 3.15Å
170S75.1Confident63.3Low85 Ų8595.5 Ų95.559%0.59451%0.508SS*.Hα-helixtrans-65-32.2176.5-59.60000112.3D167 W168 K254D167-S170 WeakPolarHBondContact O-CB 3.19Å; D167-S170 PolarHBondContact O-N 3.1Å; D167-S170 VanDerWaalsContact O-N 3.08Å; W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 3.25Å; S170-K254 PolarHBondContact O-NZ 3.15Å
171H69.9Low64.2Low158 Ų15895 Ų9573%0.73151%0.511SS*.Hα-helixtrans-95.91.3-178.2-64-67.5000115.2D167 W168 I169 N173D167-H171 PolarHBondContact O-CD2 2.87Å; D167-H171 VanDerWaalsContact O-CD2 3.3Å; W168-H171 CarbonylContact O-C 3.57Å; W168-H171 PolarHBondContact O-N 2.97Å; W168-H171 VanDerWaalsContact O-N 3.14Å; I169-H171 VanDerWaalsContact C-N 3.28Å; I169-H171 PolarHBondContact O-N 3.3Å; H171-N173 PolarHBondContact O-N 2.97Å
172M70Confident64.6Low34 Ų3484.3 Ų84.317%0.16747%0.472CS..  trans-54112.3172.8-74.3179.568.500110.1W168 I169 H218 Y251 K254 L255W168-M172 HydrophobicContact CE3-CG 3.97Å; W168-M172 HydrophobicContact CE3-SD 4.17Å; W168-M172 HydrophobicContact CZ3-CG 4.05Å; W168-M172 HydrophobicContact CZ3-SD 3.67Å; W168-M172 WeakPolarHBondContact O-CG 3.49Å; W168-M172 PolarHBondContact O-N 2.92Å; I169-M172 PolarHBondContact O-N 3.21Å; M172-H218 WeakPolarHBondContact CE-CE1 3.34Å; M172-Y251 HydrophobicContact CE-CD2 4.3Å; M172-Y251 HydrophobicContact CE-CE2 3.78Å; M172-Y251 HydrophobicContact SD-CD2 3.51Å; M172-Y251 VanDerWaalsContact SD-CD2 3.51Å; M172-Y251 HydrophobicContact SD-CE2 3.4Å; M172-Y251 WeakPolarHBondContact SD-CE2 3.3Å; M172-K254 HydrophobicContact CB-CD 3.93Å; M172-K254 PolarHBondContact O-NZ 2.7Å; M172-K254 HydrophobicContact SD-CD 4.38Å; M172-L255 HydrophobicContact CE-CD2 3.97Å
173N61.2Low64.6Low114 Ų11481.6 Ų81.661%0.6147%0.466SS*.  trans-84142.3168.9-160.317.9000107.9H171 S175H171-N173 PolarHBondContact O-N 2.97Å; N173-S175 PolarHBondContact O-N 3.3Å
174E54.7Low64Low163 Ų16382.7 Ų82.776%0.76248%0.475SS*.THydrogen-bonded Turntrans-61.9-4.4-175.3-69.5174.2175.200113.6
175S50Low63.2Low89 Ų8984.3 Ų84.362%0.62249%0.486SS*.THydrogen-bonded Turntrans-1073.7-167.8-340000115.6N173 Q177N173-S175 PolarHBondContact O-N 3.3Å; S175-Q177 PolarHBondContact O-N 3.41Å
176S52.8Low62.4Low72 Ų7284 Ų8450%0.50348%0.479SS..  trans-79.260.3177-59.30000111.8T178 R227S176-T178 PolarHBondContact O-N 3.02Å; S176-R227 PolarHBondContact O-NH2 2.86Å
177Q52.1Low61.4Low159 Ų15986.4 Ų86.474%0.74349%0.491SS*.  trans-84.991.5164.2-68.5-177.617.900107.7S175 S179S175-Q177 PolarHBondContact O-N 3.41Å; Q177-S179 PolarHBondContact O-N 2.89Å
178T53.1Low60.5Low59 Ų5988.8 Ų88.836%0.36251%0.513SS..  trans-70.8108.5158.331.40000106.8S176 F180 G222S176-T178 PolarHBondContact O-N 3.02Å; T178-F180 PolarHBondContact O-N 2.86Å; T178-G222 WeakPolarHBondContact O-CA 3.41Å
179S49.1Very low59.2Low118 Ų11893.9 Ų93.983%0.82554%0.538SS*.  trans-74.167.1-17931.30000111.2Q177Q177-S179 PolarHBondContact O-N 2.89Å
180F55.2Low57.9Low151 Ų15197.6 Ų97.666%0.66256%0.556SS**  trans-113.7113.3162-68.9-77.1000108.2T178 T182T178-F180 PolarHBondContact O-N 2.86Å; F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 PolarHBondContact O-N 3.37Å; F180-T182 PolarHBondContact O-OG1 2.78Å
181V55.1Low56.7Low148 Ų14896.4 Ų96.490%0.89755%0.552SS**  trans-73.194.8170.5-179.80000106.7
182T55.2Low55.8Low13 Ų1395.5 Ų95.58%0.0856%0.56CS.*  trans-87.4123.8176.9-10.10000109F180 W186 Q226F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 PolarHBondContact O-N 3.37Å; F180-T182 PolarHBondContact O-OG1 2.78Å; T182-W186 HydrophobicContact CG2-CB 3.6Å; T182-W186 HydrophobicContact CG2-CD2 3.45Å; T182-W186 VanDerWaalsContact CG2-CD2 3.45Å; T182-W186 HydrophobicContact CG2-CE3 4.19Å; T182-W186 HydrophobicContact CG2-CG 3.16Å; T182-Q226 PolarHBondContact O-NE2 3.17Å
183P56.1Low55Low76 Ų7698.2 Ų98.249%0.49459%0.588SS.*  trans-58.8147.9173.4-21.532000110.6S185 W186P183-S185 WeakPolarHBondContact CB-OG 3.41Å; P183-S185 PolarHBondContact O-N 3.2Å; P183-W186 WeakPolarHBondContact O-CB 3.32Å; P183-W186 PolarHBondContact O-N 3.39Å
184A53.4Low55Low98 Ų9895.6 Ų95.681%0.8158%0.575SS**THydrogen-bonded Turntrans-58.9-20175.400000113.1W186A184-W186 VanDerWaalsContact C-N 3.28Å; A184-W186 PolarHBondContact O-N 2.94Å
185S57.5Low55.9Low59 Ų5994.6 Ų94.641%0.41357%0.571SS.*THydrogen-bonded Turntrans-73.4-13.8172.958.60000114P183 L187 S188 E189P183-S185 WeakPolarHBondContact CB-OG 3.41Å; P183-S185 PolarHBondContact O-N 3.2Å; S185-L187 VanDerWaalsContact C-N 3.3Å; S185-L187 PolarHBondContact O-N 3.4Å; S185-S188 CarbonylContact O-C 3.59Å; S185-S188 WeakPolarHBondContact O-CA 3.49Å; S185-S188 WeakPolarHBondContact O-CB 3.26Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-E189 WeakPolarHBondContact O-CB 3.26Å; S185-E189 PolarHBondContact O-N 2.96Å
186W64.1Low57.3Low44 Ų4491.2 Ų91.217%0.16755%0.546CS..Hα-helixtrans-59.1-37.1-171.1-178.185.5000113.5T182 P183 A184 S188 E189 M190 V220 V221T182-W186 HydrophobicContact CG2-CB 3.6Å; T182-W186 HydrophobicContact CG2-CD2 3.45Å; T182-W186 VanDerWaalsContact CG2-CD2 3.45Å; T182-W186 HydrophobicContact CG2-CE3 4.19Å; T182-W186 HydrophobicContact CG2-CG 3.16Å; P183-W186 WeakPolarHBondContact O-CB 3.32Å; P183-W186 PolarHBondContact O-N 3.39Å; A184-W186 VanDerWaalsContact C-N 3.28Å; A184-W186 PolarHBondContact O-N 2.94Å; W186-S188 VanDerWaalsContact C-N 3.27Å; W186-S188 PolarHBondContact O-N 3.22Å; W186-E189 CarbonylContact O-C 3.56Å; W186-E189 PolarHBondContact O-N 2.93Å; W186-E189 VanDerWaalsContact O-N 3.1Å; W186-M190 HydrophobicContact CD2-CE 4.46Å; W186-M190 HydrophobicContact CD2-CG 3.39Å; W186-M190 HydrophobicContact CD2-SD 4.37Å; W186-M190 VanDerWaalsContact CE2-CE 3.43Å; W186-M190 HydrophobicContact CE3-CG 3.78Å; W186-M190 HydrophobicContact CG-CG 3.99Å; W186-M190 HydrophobicContact CH2-CG 3.64Å; W186-M190 HydrophobicContact CH2-SD 3.89Å; W186-M190 HydrophobicContact CZ2-CE 3.64Å; W186-M190 HydrophobicContact CZ2-CG 3.27Å; W186-M190 HydrophobicContact CZ2-SD 3.2Å; W186-M190 WeakPolarHBondContact CZ2-SD 3.45Å; W186-M190 HydrophobicContact CZ3-CG 3.89Å; W186-M190 VanDerWaalsContact O-CB 3.29Å; W186-M190 WeakPolarHBondContact O-CB 3.33Å; W186-M190 VanDerWaalsContact O-CG 3.25Å; W186-M190 WeakPolarHBondContact O-CG 3.43Å; W186-M190 PolarHBondContact O-N 2.9Å; W186-V220 HydrophobicContact CH2-CB 3.85Å; W186-V220 HydrophobicContact CH2-CG1 3.32Å; W186-V220 HydrophobicContact CH2-CG2 4.3Å; W186-V220 HydrophobicContact CZ2-CB 4.33Å; W186-V220 HydrophobicContact CZ2-CG1 3.31Å; W186-V220 HydrophobicContact CZ3-CG1 4.22Å; W186-V221 HydrophobicContact CZ3-CG2 4.44Å
187L59.4Low58.7Low69 Ų6992.2 Ų92.236%0.36155%0.548SS..Hα-helixtrans-66.4-29.6174.3-77.7-177.5000113.6S185 E189 I230S185-L187 VanDerWaalsContact C-N 3.3Å; S185-L187 PolarHBondContact O-N 3.4Å; L187-E189 VanDerWaalsContact C-N 3.33Å; L187-I230 HydrophobicContact CD1-CB 4.05Å; L187-I230 HydrophobicContact CD1-CD1 3.57Å; L187-I230 HydrophobicContact CD1-CG1 3.42Å; L187-I230 VanDerWaalsContact CD1-CG1 3.42Å; L187-I230 HydrophobicContact CD1-CG2 3.52Å; L187-I230 HydrophobicContact CG-CD1 4.08Å; L187-I230 HydrophobicContact CG-CG1 4.43Å
188S60.7Low60.2Low114 Ų11487.9 Ų87.980%0.79753%0.534SS*.Hα-helixtrans-79.4-20.9173.8-57.30000111.9S185 W186S185-S188 CarbonylContact O-C 3.59Å; S185-S188 WeakPolarHBondContact O-CA 3.49Å; S185-S188 WeakPolarHBondContact O-CB 3.26Å; S185-S188 PolarHBondContact O-N 3.09Å; W186-S188 VanDerWaalsContact C-N 3.27Å; W186-S188 PolarHBondContact O-N 3.22Å
189E56.6Low61.7Low143 Ų14385.2 Ų85.267%0.66852%0.517SS*.Hα-helixtrans-102.3-17.6-173-160.9170-169.100113.7S185 W186 L187 A191S185-E189 WeakPolarHBondContact O-CB 3.26Å; S185-E189 PolarHBondContact O-N 2.96Å; W186-E189 CarbonylContact O-C 3.56Å; W186-E189 PolarHBondContact O-N 2.93Å; W186-E189 VanDerWaalsContact O-N 3.1Å; L187-E189 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.39Å
190M54.8Low63.2Low83 Ų8382.4 Ų82.441%0.40949%0.493SS..SBendtrans-67.323177.4-89.5-74.812500115.7W186W186-M190 HydrophobicContact CD2-CE 4.46Å; W186-M190 HydrophobicContact CD2-CG 3.39Å; W186-M190 HydrophobicContact CD2-SD 4.37Å; W186-M190 VanDerWaalsContact CE2-CE 3.43Å; W186-M190 HydrophobicContact CE3-CG 3.78Å; W186-M190 HydrophobicContact CG-CG 3.99Å; W186-M190 HydrophobicContact CH2-CG 3.64Å; W186-M190 HydrophobicContact CH2-SD 3.89Å; W186-M190 HydrophobicContact CZ2-CE 3.64Å; W186-M190 HydrophobicContact CZ2-CG 3.27Å; W186-M190 HydrophobicContact CZ2-SD 3.2Å; W186-M190 WeakPolarHBondContact CZ2-SD 3.45Å; W186-M190 HydrophobicContact CZ3-CG 3.89Å; W186-M190 VanDerWaalsContact O-CB 3.29Å; W186-M190 WeakPolarHBondContact O-CB 3.33Å; W186-M190 VanDerWaalsContact O-CG 3.25Å; W186-M190 WeakPolarHBondContact O-CG 3.43Å; W186-M190 PolarHBondContact O-N 2.9Å
191A49.3Very low64.1Low61 Ų6175.7 Ų75.750%0.50447%0.467SS..  trans68.6148177.900000114.1E189 A193 V194E189-A191 PolarHBondContact O-N 3.39Å; A191-A193 PolarHBondContact O-N 3.35Å; A191-V194 PolarHBondContact O-N 2.96Å
192P51.8Low65Low139 Ų13971.1 Ų71.190%0.90344%0.437SS*.THydrogen-bonded Turntrans-58.9-117721.7-32.3000115
193A53.2Low65.8Low91 Ų9171.8 Ų71.875%0.75244%0.441SS*.THydrogen-bonded Turntrans-81.1-21.1-178.900000114.2A191A191-A193 PolarHBondContact O-N 3.35Å
194V61.5Low66.7Low58 Ų5870.6 Ų70.635%0.35243%0.429SS..  trans-110.865-177.1-169.80000110.4A191 I196 F216A191-V194 PolarHBondContact O-N 2.96Å; V194-I196 PolarHBondContact O-N 3.48Å; V194-F216 HydrophobicContact CG1-CB 4.12Å; V194-F216 HydrophobicContact CG1-CD1 3.37Å; V194-F216 HydrophobicContact CG1-CD2 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.52Å; V194-F216 HydrophobicContact CG1-CE2 3.77Å; V194-F216 HydrophobicContact CG1-CG 3.42Å; V194-F216 VanDerWaalsContact CG1-CG 3.42Å; V194-F216 HydrophobicContact CG1-CZ 3.73Å; V194-F216 HydrophobicContact CG2-CE1 4.17Å
195H72.5Confident68.1Low142 Ų14270.6 Ų70.666%0.65741%0.411SS*.  trans-82.197.1173.2-179.7-81.6000110.1V197H195-V197 PolarHBondContact O-N 3.05Å; H195-V197 VanDerWaalsContact O-N 3.17Å
196I79.7Confident69.4Low19 Ų1968.3 Ų68.310%0.09739%0.393CS..  trans-70.6110.2166.5-52175.3000107.4V194 P198 F209 F216 V217 L234V194-I196 PolarHBondContact O-N 3.48Å; I196-P198 WeakPolarHBondContact O-CD 3.41Å; I196-F209 HydrophobicContact CG2-CD2 4.29Å; I196-F209 HydrophobicContact CG2-CE2 4.23Å; I196-F216 HydrophobicContact CD1-CB 3.76Å; I196-F216 HydrophobicContact CD1-CD2 4.31Å; I196-F216 HydrophobicContact CD1-CG 4.49Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.09Å; I196-V217 HydrophobicContact CD1-CG2 3.58Å; I196-L234 HydrophobicContact CB-CD1 4.22Å; I196-L234 HydrophobicContact CB-CD2 4.2Å; I196-L234 HydrophobicContact CD1-CD1 4.09Å; I196-L234 HydrophobicContact CG2-CD1 3.96Å; I196-L234 HydrophobicContact CG2-CD2 4.32Å
197V82.2Confident70.3Confident92 Ų9267.3 Ų67.356%0.55840%0.396SS*.  trans-62.7126.3178-179.20000109.2H195 F199H195-V197 PolarHBondContact O-N 3.05Å; H195-V197 VanDerWaalsContact O-N 3.17Å; V197-F199 PolarHBondContact O-N 3.18Å
198P84.1Confident71.5Confident68 Ų6871 Ų7144%0.44241%0.413SS..  trans-54.4136.4174.4-26.734.7000111.4I196 D200 L234I196-P198 WeakPolarHBondContact O-CD 3.41Å; P198-D200 PolarHBondContact O-N 3.46Å; P198-L234 CarbonylContact C-O 3.57Å; P198-L234 VanDerWaalsContact CA-O 3.27Å; P198-L234 WeakPolarHBondContact CA-O 3.47Å
199F83.5Confident72.8Confident4 Ų466.1 Ų66.12%0.01838%0.378CS..BIsolated β-bridgetrans-74.5114.9179.9-171.9-117.8000110.3V197 G201 N202 K205 W206 F209 L234 L235 D236 L240V197-F199 PolarHBondContact O-N 3.18Å; F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 PolarHBondContact O-N 3.42Å; F199-N202 WeakPolarHBondContact CE2-O 3.28Å; F199-N202 WeakPolarHBondContact CZ-O 3.39Å; F199-K205 HydrophobicContact CE2-CB 4.3Å; F199-W206 HydrophobicContact CD1-CE3 4.28Å; F199-W206 HydrophobicContact CD1-CZ3 4.41Å; F199-W206 HydrophobicContact CD2-CE3 4.43Å; F199-W206 AromaticContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CZ3 4.32Å; F199-W206 HydrophobicContact CE2-CB 4.14Å; F199-W206 HydrophobicContact CE2-CE3 4.05Å; F199-W206 HydrophobicContact CZ-CB 4.19Å; F199-W206 AromaticContact CZ-CE3 3.76Å; F199-W206 HydrophobicContact CZ-CE3 3.76Å; F199-F209 HydrophobicContact CB-CD1 3.96Å; F199-F209 HydrophobicContact CB-CD2 3.7Å; F199-F209 HydrophobicContact CB-CE1 4.05Å; F199-F209 HydrophobicContact CB-CE2 3.79Å; F199-F209 HydrophobicContact CB-CG 3.78Å; F199-F209 HydrophobicContact CB-CZ 3.97Å; F199-F209 HydrophobicContact CD2-CB 3.87Å; F199-F209 HydrophobicContact CD2-CD1 4.17Å; F199-F209 AromaticContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CG-CB 4.49Å; F199-F209 HydrophobicContact CG-CD1 4.04Å; F199-F209 HydrophobicContact CG-CD2 4.46Å; F199-F209 HydrophobicContact CG-CE1 4.43Å; F199-F209 HydrophobicContact CG-CG 4.05Å; F199-L234 PolarHBondContact N-O 3.25Å; F199-L235 HydrophobicContact CB-CD2 3.78Å; F199-L235 HydrophobicContact CD1-CD2 4.08Å; F199-L235 HydrophobicContact CG-CD2 4.35Å; F199-D236 PolarHBondContact O-N 3.23Å; F199-L240 HydrophobicContact CD1-CD2 3.58Å; F199-L240 HydrophobicContact CE1-CD2 3.73Å
200D81Confident74.3Confident58 Ų5859.5 Ų59.531%0.3135%0.347SS..  trans-821.6-177.563.2-0.8000113.8P198 N202 K205 R239P198-D200 PolarHBondContact O-N 3.46Å; D200-N202 WeakPolarHBondContact OD1-CB 3.37Å; D200-N202 PolarHBondContact OD1-N 2.89Å; D200-K205 IonicContact OD2-NZ 3.2Å; D200-K205 PolarHBondContact OD2-NZ 3.37Å; D200-R239 VanDerWaalsContact O-CB 3.32Å; D200-R239 WeakPolarHBondContact O-CB 3.37Å; D200-R239 WeakPolarHBondContact O-CD 3.14Å
201G73.9Confident75.7Confident11 Ų1158.2 Ų58.211%0.11335%0.346CS..SBendtrans91.5-5-174.600000114.8F199 P203 R239F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 PolarHBondContact O-N 3.42Å; G201-P203 WeakPolarHBondContact O-CD 3.29Å; G201-R239 WeakPolarHBondContact CA-O 3.44Å
202N74.5Confident77.6Confident52 Ų5257.2 Ų57.228%0.27834%0.335SS..  trans-72.3117.7-177.1-176.2-14.6000111.4F199 D200 F204 K205 W206F199-N202 WeakPolarHBondContact CE2-O 3.28Å; F199-N202 WeakPolarHBondContact CZ-O 3.39Å; D200-N202 WeakPolarHBondContact OD1-CB 3.37Å; D200-N202 PolarHBondContact OD1-N 2.89Å; N202-F204 PolarHBondContact O-N 3.49Å; N202-F204 VanDerWaalsContact O-N 3.13Å; N202-F204 WeakPolarHBondContact OD1-CB 3.43Å; N202-F204 WeakPolarHBondContact OD1-CD2 3.47Å; N202-F204 PolarHBondContact OD1-N 2.89Å; N202-K205 HydrophobicContact CB-CB 4.35Å; N202-K205 HydrophobicContact CB-CD 4.15Å; N202-K205 HydrophobicContact CB-CG 4.15Å; N202-K205 PolarHBondContact O-N 3.49Å; N202-W206 PolarHBondContact O-N 3.25Å
203P73Confident79.3Confident26 Ų2650.7 Ų50.717%0.16929%0.292CS..G310 helixtrans-61.7-26.5-177.425.7-35.2000113.6G201 K205 W206 I275G201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-K205 VanDerWaalsContact C-N 3.28Å; P203-K205 PolarHBondContact O-N 3.03Å; P203-W206 VanDerWaalsContact O-CB 3.32Å; P203-W206 WeakPolarHBondContact O-CB 3.43Å; P203-W206 PolarHBondContact O-N 3.08Å; P203-I275 HydrophobicContact CB-CD1 4.31Å; P203-I275 HydrophobicContact CB-CG1 4.26Å; P203-I275 HydrophobicContact CB-CG2 4.34Å
204F74.8Confident81Confident51 Ų5149.7 Ų49.722%0.22427%0.271CS..G310 helixtrans-71.3-24.8177.2-57.6-66.4000112.5N202 K282 V307 V310N202-F204 PolarHBondContact O-N 3.49Å; N202-F204 VanDerWaalsContact O-N 3.13Å; N202-F204 WeakPolarHBondContact OD1-CB 3.43Å; N202-F204 WeakPolarHBondContact OD1-CD2 3.47Å; N202-F204 PolarHBondContact OD1-N 2.89Å; F204-K282 HydrophobicContact CD2-CD 3.93Å; F204-K282 HydrophobicContact CE1-CD 4.18Å; F204-K282 HydrophobicContact CE2-CB 4.34Å; F204-K282 HydrophobicContact CE2-CD 3.36Å; F204-K282 HydrophobicContact CE2-CG 4.45Å; F204-K282 HydrophobicContact CZ-CB 4.18Å; F204-K282 HydrophobicContact CZ-CD 3.53Å; F204-K282 HydrophobicContact CZ-CG 4.45Å; F204-V307 HydrophobicContact CE1-CB 4.21Å; F204-V307 HydrophobicContact CE1-CG1 4.3Å; F204-V307 HydrophobicContact CE1-CG2 3.75Å; F204-V307 HydrophobicContact CZ-CG1 4.5Å; F204-V307 HydrophobicContact CZ-CG2 3.96Å; F204-V310 HydrophobicContact CD1-CB 4.47Å; F204-V310 HydrophobicContact CD1-CG2 3.59Å; F204-V310 HydrophobicContact CE1-CB 4.24Å; F204-V310 HydrophobicContact CE1-CG2 3.85Å
205K82.8Confident82.1Confident99 Ų9949.4 Ų49.443%0.4327%0.272SS..G310 helixtrans-89.1-8.4176.8-63-177.3-177.6172.10112.7F199 D200 N202 P203 G207 M208 F209F199-K205 HydrophobicContact CE2-CB 4.3Å; D200-K205 IonicContact OD2-NZ 3.2Å; D200-K205 PolarHBondContact OD2-NZ 3.37Å; N202-K205 HydrophobicContact CB-CB 4.35Å; N202-K205 HydrophobicContact CB-CD 4.15Å; N202-K205 HydrophobicContact CB-CG 4.15Å; N202-K205 PolarHBondContact O-N 3.49Å; P203-K205 VanDerWaalsContact C-N 3.28Å; P203-K205 PolarHBondContact O-N 3.03Å; K205-G207 PolarHBondContact O-N 2.85Å; K205-M208 PolarHBondContact O-N 3.47Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.49Å
206W83.3Confident82.8Confident11 Ų1146.4 Ų46.44%0.04226%0.257CS..Hα-helixtrans-57.7-46.5-175.2176.5-113.5000112.1D166 F199 N202 P203 M208 F209 I210 S244 V247 I248D166-W206 HydrophobicContact CB-CZ2 4.46Å; D166-W206 PolarHBondContact OD2-NE1 3.18Å; F199-W206 HydrophobicContact CD1-CE3 4.28Å; F199-W206 HydrophobicContact CD1-CZ3 4.41Å; F199-W206 HydrophobicContact CD2-CE3 4.43Å; F199-W206 AromaticContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CZ3 4.32Å; F199-W206 HydrophobicContact CE2-CB 4.14Å; F199-W206 HydrophobicContact CE2-CE3 4.05Å; F199-W206 HydrophobicContact CZ-CB 4.19Å; F199-W206 AromaticContact CZ-CE3 3.76Å; F199-W206 HydrophobicContact CZ-CE3 3.76Å; N202-W206 PolarHBondContact O-N 3.25Å; P203-W206 VanDerWaalsContact O-CB 3.32Å; P203-W206 WeakPolarHBondContact O-CB 3.43Å; P203-W206 PolarHBondContact O-N 3.08Å; W206-M208 PolarHBondContact O-N 3.15Å; W206-F209 AromaticContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CH2-CD1 4.45Å; W206-F209 AromaticContact CZ3-CD1 3.64Å; W206-F209 HydrophobicContact CZ3-CD1 3.64Å; W206-F209 AromaticContact CZ3-CE1 3.86Å; W206-F209 HydrophobicContact CZ3-CE1 3.86Å; W206-F209 PolarHBondContact O-N 2.94Å; W206-I210 HydrophobicContact CD2-CB 4.41Å; W206-I210 HydrophobicContact CH2-CB 4.27Å; W206-I210 HydrophobicContact CH2-CD1 3.8Å; W206-I210 HydrophobicContact CH2-CG1 4.17Å; W206-I210 HydrophobicContact CZ2-CB 3.94Å; W206-I210 HydrophobicContact CZ2-CD1 3.91Å; W206-I210 HydrophobicContact CZ2-CG1 3.79Å; W206-I210 WeakPolarHBondContact O-CB 3.49Å; W206-I210 VanDerWaalsContact O-CG2 3.3Å; W206-I210 WeakPolarHBondContact O-CG2 3.39Å; W206-I210 PolarHBondContact O-N 3.3Å; W206-S244 VanDerWaalsContact CE3-CB 3.46Å; W206-V247 HydrophobicContact CH2-CG1 4.34Å; W206-V247 HydrophobicContact CZ2-CB 3.92Å; W206-V247 HydrophobicContact CZ2-CG1 3.56Å; W206-I248 HydrophobicContact CH2-CD1 4.06Å; W206-I248 HydrophobicContact CH2-CG1 3.72Å; W206-I248 HydrophobicContact CZ3-CD1 3.85Å; W206-I248 HydrophobicContact CZ3-CG1 4.05Å
207G83Confident83Confident22 Ų2245.5 Ų45.523%0.22725%0.252CS..Hα-helixtrans-61.6-43.3-177.600000113.4P165 K205 S211P165-G207 VanDerWaalsContact CG-CA 3.44Å; K205-G207 PolarHBondContact O-N 2.85Å; G207-S211 VanDerWaalsContact O-CB 3.26Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.32Å; G207-S211 VanDerWaalsContact O-N 3.14Å; G207-S211 PolarHBondContact O-OG 3.01Å
208M85.8Confident83.2Confident148 Ų14841.8 Ų41.873%0.72923%0.229SC*.Hα-helixtrans-62.8-51.6174.4-71.1-91.5-78.500110.5K205 W206 I210 S211 S212K205-M208 PolarHBondContact O-N 3.47Å; W206-M208 PolarHBondContact O-N 3.15Å; M208-I210 PolarHBondContact O-N 3.34Å; M208-S211 PolarHBondContact O-N 3.17Å; M208-S212 PolarHBondContact O-N 3.11Å; M208-S212 PolarHBondContact O-OG 2.9Å; M208-S212 VanDerWaalsContact O-OG 3.11Å
209F88.7Confident83.2Confident11 Ų1142.2 Ų42.25%0.04823%0.227CC..Hα-helixtrans-57.3-51.9-179.1170.9-100.8000112.3I196 F199 K205 W206 S211 S212 F213 L231 L234 L235I196-F209 HydrophobicContact CG2-CD2 4.29Å; I196-F209 HydrophobicContact CG2-CE2 4.23Å; F199-F209 HydrophobicContact CB-CD1 3.96Å; F199-F209 HydrophobicContact CB-CD2 3.7Å; F199-F209 HydrophobicContact CB-CE1 4.05Å; F199-F209 HydrophobicContact CB-CE2 3.79Å; F199-F209 HydrophobicContact CB-CG 3.78Å; F199-F209 HydrophobicContact CB-CZ 3.97Å; F199-F209 HydrophobicContact CD2-CB 3.87Å; F199-F209 HydrophobicContact CD2-CD1 4.17Å; F199-F209 AromaticContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CG-CB 4.49Å; F199-F209 HydrophobicContact CG-CD1 4.04Å; F199-F209 HydrophobicContact CG-CD2 4.46Å; F199-F209 HydrophobicContact CG-CE1 4.43Å; F199-F209 HydrophobicContact CG-CG 4.05Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.49Å; W206-F209 AromaticContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CH2-CD1 4.45Å; W206-F209 AromaticContact CZ3-CD1 3.64Å; W206-F209 HydrophobicContact CZ3-CD1 3.64Å; W206-F209 AromaticContact CZ3-CE1 3.86Å; W206-F209 HydrophobicContact CZ3-CE1 3.86Å; W206-F209 PolarHBondContact O-N 2.94Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 2.81Å; F209-S212 PolarHBondContact O-N 3.39Å; F209-F213 WeakPolarHBondContact O-CB 3.3Å; F209-F213 PolarHBondContact O-N 3.15Å; F209-L231 HydrophobicContact CE1-CD1 4.34Å; F209-L231 HydrophobicContact CZ-CD1 4.09Å; F209-L234 HydrophobicContact CE2-CB 3.98Å; F209-L234 HydrophobicContact CZ-CB 4.21Å; F209-L235 HydrophobicContact CE1-CD2 3.65Å; F209-L235 HydrophobicContact CE2-CD2 4.48Å; F209-L235 HydrophobicContact CZ-CD2 3.53Å; F209-L235 HydrophobicContact CZ-CG 4.37Å
210I86.1Confident83.2Confident4 Ų444.5 Ų44.52%0.02124%0.242CC..Hα-helixtrans-69.9-31.7-174.4-162.856.2000111.8P165 D166 W168 I169 W206 M208 F213 K214P165-I210 HydrophobicContact CB-CG2 3.81Å; P165-I210 HydrophobicContact CG-CG2 4.26Å; D166-I210 HydrophobicContact CB-CG1 4.35Å; D166-I210 HydrophobicContact CB-CG2 4.48Å; W168-I210 HydrophobicContact CZ2-CD1 3.9Å; W168-I210 HydrophobicContact CZ2-CG1 4.04Å; I169-I210 HydrophobicContact CD1-CD1 4Å; I169-I210 HydrophobicContact CD1-CG1 4.1Å; W206-I210 HydrophobicContact CD2-CB 4.41Å; W206-I210 HydrophobicContact CH2-CB 4.27Å; W206-I210 HydrophobicContact CH2-CD1 3.8Å; W206-I210 HydrophobicContact CH2-CG1 4.17Å; W206-I210 HydrophobicContact CZ2-CB 3.94Å; W206-I210 HydrophobicContact CZ2-CD1 3.91Å; W206-I210 HydrophobicContact CZ2-CG1 3.79Å; W206-I210 WeakPolarHBondContact O-CB 3.49Å; W206-I210 VanDerWaalsContact O-CG2 3.3Å; W206-I210 WeakPolarHBondContact O-CG2 3.39Å; W206-I210 PolarHBondContact O-N 3.3Å; M208-I210 PolarHBondContact O-N 3.34Å; I210-F213 HydrophobicContact CD1-CD1 4.4Å; I210-K214 VanDerWaalsContact O-CB 3.3Å; I210-K214 WeakPolarHBondContact O-CB 3.28Å; I210-K214 PolarHBondContact O-N 3.09Å
211S86.1Confident83.1Confident56 Ų5641.9 Ų41.939%0.39223%0.228SC..Hα-helixtrans-67.6-46.3173.9-57.80000111.2G207 M208 F209 K214 S215G207-S211 VanDerWaalsContact O-CB 3.26Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.32Å; G207-S211 VanDerWaalsContact O-N 3.14Å; G207-S211 PolarHBondContact O-OG 3.01Å; M208-S211 PolarHBondContact O-N 3.17Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 2.81Å; S211-K214 WeakPolarHBondContact O-CB 3.26Å; S211-K214 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-N 2.99Å; S211-S215 PolarHBondContact O-OG 3.28Å
212S87.8Confident83.2Confident40 Ų4042 Ų4228%0.2823%0.229SC..Hα-helixtrans-63.5-43.5175.3-60.90000111.9M208 F209 K214 S215 F216M208-S212 PolarHBondContact O-N 3.11Å; M208-S212 PolarHBondContact O-OG 2.9Å; M208-S212 VanDerWaalsContact O-OG 3.11Å; F209-S212 PolarHBondContact O-N 3.39Å; S212-K214 VanDerWaalsContact C-N 3.29Å; S212-K214 PolarHBondContact O-N 3.47Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 PolarHBondContact O-OG 3.24Å; S212-S215 VanDerWaalsContact O-OG 3.13Å; S212-F216 WeakPolarHBondContact O-CB 3.18Å; S212-F216 WeakPolarHBondContact O-CD2 3.31Å; S212-F216 PolarHBondContact O-N 3.17Å
213F87.8Confident83.4Confident1 Ų141.5 Ų41.50%0.00423%0.23CC..Hα-helixtrans-60.5-41.7175.6-177.7-91000111.1F209 I210 V217 H218 I230 L231 L234 Y251F209-F213 WeakPolarHBondContact O-CB 3.3Å; F209-F213 PolarHBondContact O-N 3.15Å; I210-F213 HydrophobicContact CD1-CD1 4.4Å; F213-V217 HydrophobicContact CD2-CB 3.89Å; F213-V217 HydrophobicContact CD2-CG1 4.31Å; F213-V217 HydrophobicContact CD2-CG2 3.82Å; F213-V217 HydrophobicContact CE1-CB 4.36Å; F213-V217 HydrophobicContact CE1-CG1 4.42Å; F213-V217 HydrophobicContact CE2-CB 3.68Å; F213-V217 HydrophobicContact CE2-CG1 3.59Å; F213-V217 HydrophobicContact CE2-CG2 3.89Å; F213-V217 HydrophobicContact CG-CB 4.32Å; F213-V217 HydrophobicContact CZ-CB 3.92Å; F213-V217 HydrophobicContact CZ-CG1 3.64Å; F213-V217 WeakPolarHBondContact O-CA 3.41Å; F213-V217 VanDerWaalsContact O-CB 3.26Å; F213-V217 WeakPolarHBondContact O-CB 3.45Å; F213-V217 PolarHBondContact O-N 3.13Å; F213-H218 PolarHBondContact O-N 2.77Å; F213-I230 HydrophobicContact CE2-CG2 4.27Å; F213-L231 HydrophobicContact CD2-CD1 3.95Å; F213-L231 HydrophobicContact CE1-CD1 4.28Å; F213-L231 HydrophobicContact CE2-CB 3.71Å; F213-L231 HydrophobicContact CE2-CD1 3.66Å; F213-L231 HydrophobicContact CE2-CG 4.25Å; F213-L231 HydrophobicContact CG-CD1 4.38Å; F213-L231 HydrophobicContact CZ-CB 3.73Å; F213-L231 HydrophobicContact CZ-CD1 3.85Å; F213-L231 HydrophobicContact CZ-CD2 4.5Å; F213-L231 HydrophobicContact CZ-CG 4.22Å; F213-L234 HydrophobicContact CD2-CD1 3.91Å; F213-L234 HydrophobicContact CE2-CD1 4.29Å; F213-Y251 AromaticContact CE1-CE1 3.67Å; F213-Y251 HydrophobicContact CE1-CE1 3.67Å; F213-Y251 AromaticContact CE1-CZ 3.69Å; F213-Y251 WeakPolarHBondContact CE1-OH 3.44Å; F213-Y251 HydrophobicContact CZ-CE1 4.07Å
214K88.1Confident83.7Confident71 Ų7142.8 Ų42.831%0.30924%0.235SC..Iπ-helixtrans-59.2-55.8175.8-169.4-161178.3-141.40111.3W168 I210 S211 S212 F216 H218 D219W168-K214 HydrophobicContact CB-CD 4.37Å; W168-K214 HydrophobicContact CD2-CB 4.45Å; W168-K214 HydrophobicContact CD2-CD 3.77Å; W168-K214 HydrophobicContact CD2-CG 3.79Å; W168-K214 HydrophobicContact CE3-CD 4.47Å; W168-K214 HydrophobicContact CE3-CG 4.18Å; W168-K214 HydrophobicContact CG-CD 3.69Å; W168-K214 HydrophobicContact CG-CG 4.27Å; W168-K214 HydrophobicContact CH2-CB 4.35Å; W168-K214 HydrophobicContact CH2-CG 4.21Å; W168-K214 HydrophobicContact CZ2-CB 3.68Å; W168-K214 HydrophobicContact CZ2-CG 3.82Å; W168-K214 HydrophobicContact CZ3-CG 4.38Å; I210-K214 VanDerWaalsContact O-CB 3.3Å; I210-K214 WeakPolarHBondContact O-CB 3.28Å; I210-K214 PolarHBondContact O-N 3.09Å; S211-K214 WeakPolarHBondContact O-CB 3.26Å; S211-K214 PolarHBondContact O-N 3.43Å; S212-K214 VanDerWaalsContact C-N 3.29Å; S212-K214 PolarHBondContact O-N 3.47Å; K214-F216 PolarHBondContact O-N 3.38Å; K214-H218 HydrophobicContact CG-CB 4.35Å; K214-H218 WeakPolarHBondContact O-CB 3.22Å; K214-H218 PolarHBondContact O-N 3.27Å; K214-D219 WeakPolarHBondContact O-CB 3.09Å; K214-D219 VanDerWaalsContact O-CG 3.3Å; K214-D219 PolarHBondContact O-N 3.2Å
215S85.9Confident83.6Confident52 Ų5246 Ų4636%0.36426%0.255SS..Iπ-helixtrans-66.8-33.2-173.460.80000113.9S211 S212 V220S211-S215 PolarHBondContact O-N 2.99Å; S211-S215 PolarHBondContact O-OG 3.28Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 PolarHBondContact O-OG 3.24Å; S212-S215 VanDerWaalsContact O-OG 3.13Å; S215-V220 WeakPolarHBondContact O-CG2 3.45Å
216F86.1Confident83.4Confident79 Ų7944 Ų4435%0.34625%0.247SC..Iπ-helixtrans-104.7-23.3-172.5-62.1-56.6000114.2V194 I196 S212 K214V194-F216 HydrophobicContact CG1-CB 4.12Å; V194-F216 HydrophobicContact CG1-CD1 3.37Å; V194-F216 HydrophobicContact CG1-CD2 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.52Å; V194-F216 HydrophobicContact CG1-CE2 3.77Å; V194-F216 HydrophobicContact CG1-CG 3.42Å; V194-F216 VanDerWaalsContact CG1-CG 3.42Å; V194-F216 HydrophobicContact CG1-CZ 3.73Å; V194-F216 HydrophobicContact CG2-CE1 4.17Å; I196-F216 HydrophobicContact CD1-CB 3.76Å; I196-F216 HydrophobicContact CD1-CD2 4.31Å; I196-F216 HydrophobicContact CD1-CG 4.49Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.09Å; S212-F216 WeakPolarHBondContact O-CB 3.18Å; S212-F216 WeakPolarHBondContact O-CD2 3.31Å; S212-F216 PolarHBondContact O-N 3.17Å; K214-F216 PolarHBondContact O-N 3.38Å
217V85.5Confident83.3Confident0 Ų043.8 Ų43.80%025%0.246CC..Iπ-helixtrans-117.1-56-177.4-173.80000110.6I196 F213 V221 R227 I230I196-V217 HydrophobicContact CD1-CG2 3.58Å; F213-V217 HydrophobicContact CD2-CB 3.89Å; F213-V217 HydrophobicContact CD2-CG1 4.31Å; F213-V217 HydrophobicContact CD2-CG2 3.82Å; F213-V217 HydrophobicContact CE1-CB 4.36Å; F213-V217 HydrophobicContact CE1-CG1 4.42Å; F213-V217 HydrophobicContact CE2-CB 3.68Å; F213-V217 HydrophobicContact CE2-CG1 3.59Å; F213-V217 HydrophobicContact CE2-CG2 3.89Å; F213-V217 HydrophobicContact CG-CB 4.32Å; F213-V217 HydrophobicContact CZ-CB 3.92Å; F213-V217 HydrophobicContact CZ-CG1 3.64Å; F213-V217 WeakPolarHBondContact O-CA 3.41Å; F213-V217 VanDerWaalsContact O-CB 3.26Å; F213-V217 WeakPolarHBondContact O-CB 3.45Å; F213-V217 PolarHBondContact O-N 3.13Å; V217-V221 HydrophobicContact CG1-CG2 4.1Å; V217-V221 WeakPolarHBondContact O-CB 3.36Å; V217-V221 WeakPolarHBondContact O-CG2 3.39Å; V217-V221 PolarHBondContact O-N 3.07Å; V217-R227 HydrophobicContact CG1-CB 4.45Å; V217-R227 HydrophobicContact CG1-CG 4.34Å; V217-I230 HydrophobicContact CB-CG2 4.43Å; V217-I230 HydrophobicContact CG1-CB 4.04Å; V217-I230 HydrophobicContact CG1-CD1 3.87Å; V217-I230 HydrophobicContact CG1-CG2 3.78Å; V217-I230 HydrophobicContact CG2-CG2 3.75Å
218H84.9Confident83Confident13 Ų1343.5 Ų43.56%0.0624%0.239CC..Iπ-helixtrans-64-49.6-174.8-175.553.5000112.2W168 M172 F213 K214 V220 R227 Y251W168-H218 AromaticContact CE3-CD2 3.65Å; W168-H218 AromaticContact CE3-NE2 3.9Å; W168-H218 HydrophobicContact CH2-CB 3.88Å; W168-H218 AromaticContact CH2-CD2 3.83Å; W168-H218 AromaticContact CH2-CG 3.67Å; W168-H218 HydrophobicContact CZ3-CB 4.1Å; W168-H218 AromaticContact CZ3-CD2 3.13Å; W168-H218 WeakPolarHBondContact CZ3-CD2 3.29Å; W168-H218 AromaticContact CZ3-CE1 3.89Å; W168-H218 AromaticContact CZ3-CG 3.39Å; W168-H218 AromaticContact CZ3-ND1 3.86Å; W168-H218 AromaticContact CZ3-NE2 3.45Å; W168-H218 WeakPolarHBondContact CZ3-NE2 3.44Å; M172-H218 WeakPolarHBondContact CE-CE1 3.34Å; F213-H218 PolarHBondContact O-N 2.77Å; K214-H218 HydrophobicContact CG-CB 4.35Å; K214-H218 WeakPolarHBondContact O-CB 3.22Å; K214-H218 PolarHBondContact O-N 3.27Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.21Å; H218-R227 PolarHBondContact O-NE 3.15Å; H218-R227 PolarHBondContact O-NH2 3.43Å; H218-Y251 PolarHBondContact ND1-OH 3.09Å
219D84.9Confident82.5Confident77 Ų7738.6 Ų38.641%0.41222%0.222SC..THydrogen-bonded Turntrans-74-24.8-174.4-64.7-16.5000112K214K214-D219 WeakPolarHBondContact O-CB 3.09Å; K214-D219 VanDerWaalsContact O-CG 3.3Å; K214-D219 PolarHBondContact O-N 3.2Å
220V83Confident82.1Confident52 Ų5239 Ų3932%0.31523%0.225SC..THydrogen-bonded Turntrans-100.7-41.5-172.3-171.50000113.9W186 S215 H218 G222W186-V220 HydrophobicContact CH2-CB 3.85Å; W186-V220 HydrophobicContact CH2-CG1 3.32Å; W186-V220 HydrophobicContact CH2-CG2 4.3Å; W186-V220 HydrophobicContact CZ2-CB 4.33Å; W186-V220 HydrophobicContact CZ2-CG1 3.31Å; W186-V220 HydrophobicContact CZ3-CG1 4.22Å; S215-V220 WeakPolarHBondContact O-CG2 3.45Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.21Å; V220-G222 PolarHBondContact O-N 3.44Å
221V80.1Confident82Confident3 Ų339 Ų392%0.01823%0.225CC..  trans-81.5120.9-176.5178.90000108.8W186 V217 Q226 R227 I230W186-V221 HydrophobicContact CZ3-CG2 4.44Å; V217-V221 HydrophobicContact CG1-CG2 4.1Å; V217-V221 WeakPolarHBondContact O-CB 3.36Å; V217-V221 WeakPolarHBondContact O-CG2 3.39Å; V217-V221 PolarHBondContact O-N 3.07Å; V221-Q226 HydrophobicContact CG1-CB 3.46Å; V221-Q226 VanDerWaalsContact CG1-CB 3.46Å; V221-Q226 HydrophobicContact CG1-CG 4.49Å; V221-R227 HydrophobicContact CB-CG 3.89Å; V221-R227 HydrophobicContact CG1-CG 3.95Å; V221-R227 PolarHBondContact O-NE 3.03Å; V221-R227 PolarHBondContact O-NH2 2.91Å; V221-I230 HydrophobicContact CG2-CD1 3.93Å
222G74.4Confident81.5Confident13 Ų1343.5 Ų43.513%0.13423%0.233CC..  trans-74.8-29.8-176.500000114.9T178 V220T178-G222 WeakPolarHBondContact O-CA 3.41Å; V220-G222 PolarHBondContact O-N 3.44Å
223S79.6Confident81.1Confident43 Ų4348.7 Ų48.730%0.30125%0.253SS..  trans-90.7127.7-176.4171.70000112.6D225 Q226 R227S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.36Å; S223-D225 PolarHBondContact OG-N 3.38Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 PolarHBondContact OG-N 3.41Å; S223-R227 WeakPolarHBondContact O-CG 3.26Å; S223-R227 PolarHBondContact O-N 3.05Å
224N78.2Confident80.9Confident52 Ų5249.9 Ų49.928%0.27826%0.259SS..Hα-helixtrans-61.7-33.6173.6-74.8-7.6000112.5R227 L228 L255N224-R227 PolarHBondContact O-N 2.85Å; N224-R227 PolarHBondContact OD1-NH1 2.69Å; N224-L228 WeakPolarHBondContact O-CB 3.25Å; N224-L228 PolarHBondContact O-N 3.47Å; N224-L255 HydrophobicContact CB-CB 4.32Å; N224-L255 HydrophobicContact CB-CD2 3.99Å; N224-L255 PolarHBondContact ND2-O 3.21Å; N224-L255 VanDerWaalsContact OD1-CD2 3.32Å; N224-L255 WeakPolarHBondContact OD1-CD2 3.43Å
225D73.7Confident80.5Confident120 Ų12047 Ų4764%0.64225%0.247SC*.Hα-helixtrans-66.9-39.8177.4-64.6-41.4000111.7S223 L228 A229S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.36Å; S223-D225 PolarHBondContact OG-N 3.38Å; D225-L228 PolarHBondContact O-N 3.41Å; D225-A229 WeakPolarHBondContact O-CB 3.21Å; D225-A229 PolarHBondContact O-N 2.77Å
226Q77.7Confident79.8Confident56 Ų5647.3 Ų47.326%0.26225%0.245SC..Hα-helixtrans-67.8-47.9174.6-69.3179.8-29.200110.8T182 V221 S223 L228 A229 I230T182-Q226 PolarHBondContact O-NE2 3.17Å; V221-Q226 HydrophobicContact CG1-CB 3.46Å; V221-Q226 VanDerWaalsContact CG1-CB 3.46Å; V221-Q226 HydrophobicContact CG1-CG 4.49Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 PolarHBondContact OG-N 3.41Å; Q226-L228 PolarHBondContact O-N 3.01Å; Q226-A229 PolarHBondContact O-N 2.94Å; Q226-A229 VanDerWaalsContact O-N 3.14Å; Q226-I230 WeakPolarHBondContact O-CB 3.35Å; Q226-I230 WeakPolarHBondContact O-CD1 3.35Å; Q226-I230 WeakPolarHBondContact O-CG1 3.23Å; Q226-I230 PolarHBondContact O-N 3.39Å
227R82.9Confident78.6Confident7 Ų748.4 Ų48.43%0.02625%0.252CS..Hα-helixtrans-52.4-43.2174.2-70170.9177.8160.12.6111.1S176 V217 H218 V221 S223 N224 L231 L255S176-R227 PolarHBondContact O-NH2 2.86Å; V217-R227 HydrophobicContact CG1-CB 4.45Å; V217-R227 HydrophobicContact CG1-CG 4.34Å; H218-R227 PolarHBondContact O-NE 3.15Å; H218-R227 PolarHBondContact O-NH2 3.43Å; V221-R227 HydrophobicContact CB-CG 3.89Å; V221-R227 HydrophobicContact CG1-CG 3.95Å; V221-R227 PolarHBondContact O-NE 3.03Å; V221-R227 PolarHBondContact O-NH2 2.91Å; S223-R227 WeakPolarHBondContact O-CG 3.26Å; S223-R227 PolarHBondContact O-N 3.05Å; N224-R227 PolarHBondContact O-N 2.85Å; N224-R227 PolarHBondContact OD1-NH1 2.69Å; R227-L231 VanDerWaalsContact O-CB 3.28Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.48Å; R227-L255 HydrophobicContact CB-CD1 4.04Å
228L76.2Confident77.4Confident16 Ų1658.8 Ų58.88%0.08429%0.291CS..Hα-helixtrans-67.1-44.4178.8175.761.3000112.9N224 D225 Q226 L231 R232 L252 L255N224-L228 WeakPolarHBondContact O-CB 3.25Å; N224-L228 PolarHBondContact O-N 3.47Å; D225-L228 PolarHBondContact O-N 3.41Å; Q226-L228 PolarHBondContact O-N 3.01Å; L228-L231 PolarHBondContact O-N 2.86Å; L228-R232 WeakPolarHBondContact O-CG 3.29Å; L228-R232 PolarHBondContact O-N 2.82Å; L228-L252 HydrophobicContact CD1-CD2 3Å; L228-L252 HydrophobicContact CD1-CG 4.47Å; L228-L255 HydrophobicContact CB-CD1 4.23Å
229A74.3Confident76.3Confident45 Ų4564.7 Ų64.737%0.37231%0.313SS..Hα-helixtrans-62.5-44.3177.300000111.4D225 Q226 R232 Q233D225-A229 WeakPolarHBondContact O-CB 3.21Å; D225-A229 PolarHBondContact O-N 2.77Å; Q226-A229 PolarHBondContact O-N 2.94Å; Q226-A229 VanDerWaalsContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.43Å; A229-Q233 WeakPolarHBondContact O-CG 3.37Å; A229-Q233 PolarHBondContact O-N 3.43Å
230I81.3Confident75.1Confident20 Ų2061.8 Ų61.810%0.10330%0.297CS..Hα-helixtrans-62.7-47.7176.8-64.5167.7000110.3L187 F213 V217 V221 Q226 R232 Q233 L234L187-I230 HydrophobicContact CD1-CB 4.05Å; L187-I230 HydrophobicContact CD1-CD1 3.57Å; L187-I230 HydrophobicContact CD1-CG1 3.42Å; L187-I230 VanDerWaalsContact CD1-CG1 3.42Å; L187-I230 HydrophobicContact CD1-CG2 3.52Å; L187-I230 HydrophobicContact CG-CD1 4.08Å; L187-I230 HydrophobicContact CG-CG1 4.43Å; F213-I230 HydrophobicContact CE2-CG2 4.27Å; V217-I230 HydrophobicContact CB-CG2 4.43Å; V217-I230 HydrophobicContact CG1-CB 4.04Å; V217-I230 HydrophobicContact CG1-CD1 3.87Å; V217-I230 HydrophobicContact CG1-CG2 3.78Å; V217-I230 HydrophobicContact CG2-CG2 3.75Å; V221-I230 HydrophobicContact CG2-CD1 3.93Å; Q226-I230 WeakPolarHBondContact O-CB 3.35Å; Q226-I230 WeakPolarHBondContact O-CD1 3.35Å; Q226-I230 WeakPolarHBondContact O-CG1 3.23Å; Q226-I230 PolarHBondContact O-N 3.39Å; I230-R232 VanDerWaalsContact C-N 3.29Å; I230-R232 PolarHBondContact O-N 3.42Å; I230-Q233 WeakPolarHBondContact O-CB 3.39Å; I230-Q233 PolarHBondContact O-N 2.84Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.09Å
231L83.7Confident73.9Confident3 Ų366.7 Ų66.72%0.01631%0.311CS..Hα-helixtrans-56.8-45177.9-176.463.1000111F209 F213 R227 L228 Q233 L234 L235 I248 Y251 L252F209-L231 HydrophobicContact CE1-CD1 4.34Å; F209-L231 HydrophobicContact CZ-CD1 4.09Å; F213-L231 HydrophobicContact CD2-CD1 3.95Å; F213-L231 HydrophobicContact CE1-CD1 4.28Å; F213-L231 HydrophobicContact CE2-CB 3.71Å; F213-L231 HydrophobicContact CE2-CD1 3.66Å; F213-L231 HydrophobicContact CE2-CG 4.25Å; F213-L231 HydrophobicContact CG-CD1 4.38Å; F213-L231 HydrophobicContact CZ-CB 3.73Å; F213-L231 HydrophobicContact CZ-CD1 3.85Å; F213-L231 HydrophobicContact CZ-CD2 4.5Å; F213-L231 HydrophobicContact CZ-CG 4.22Å; R227-L231 VanDerWaalsContact O-CB 3.28Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.48Å; L228-L231 PolarHBondContact O-N 2.86Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.15Å; L231-L234 PolarHBondContact O-N 3.27Å; L231-L234 VanDerWaalsContact O-N 3.13Å; L231-L235 HydrophobicContact CD1-CD1 3.66Å; L231-L235 HydrophobicContact CD1-CD2 4.23Å; L231-L235 HydrophobicContact CD1-CG 3.89Å; L231-L235 HydrophobicContact CD2-CD1 4.21Å; L231-L235 HydrophobicContact CG-CD1 3.54Å; L231-L235 HydrophobicContact CG-CG 4.16Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L235 VanDerWaalsContact O-N 3.11Å; L231-I248 HydrophobicContact CD2-CG2 4.39Å; L231-Y251 HydrophobicContact CD2-CD1 3.48Å; L231-Y251 VanDerWaalsContact CD2-CD1 3.48Å; L231-Y251 HydrophobicContact CD2-CE1 3.72Å; L231-L252 HydrophobicContact CD2-CD2 4.2Å
232R75.2Confident72.9Confident151 Ų15166.9 Ų66.957%0.5731%0.314SS*.Hα-helixtrans-60.9-32.2177.5-74.2174.1179.4141.6-1.6113.6L228 A229 I230L228-R232 WeakPolarHBondContact O-CG 3.29Å; L228-R232 PolarHBondContact O-N 2.82Å; A229-R232 PolarHBondContact O-N 3.43Å; I230-R232 VanDerWaalsContact C-N 3.29Å; I230-R232 PolarHBondContact O-N 3.42Å
233Q79.1Confident72Confident149 Ų14968 Ų6870%0.69632%0.317SS*.Hα-helixtrans-74.8-34176.4-69.1175.1-5.400112.2A229 I230 L231 L235A229-Q233 WeakPolarHBondContact O-CG 3.37Å; A229-Q233 PolarHBondContact O-N 3.43Å; I230-Q233 WeakPolarHBondContact O-CB 3.39Å; I230-Q233 PolarHBondContact O-N 2.84Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.15Å; Q233-L235 VanDerWaalsContact C-N 3.3Å
234L84.1Confident71.2Confident25 Ų2566.1 Ų66.113%0.13130%0.304CS..Hα-helixtrans-83-6.3-179.2-66.2175000113.5I196 P198 F199 F209 F213 I230 L231I196-L234 HydrophobicContact CB-CD1 4.22Å; I196-L234 HydrophobicContact CB-CD2 4.2Å; I196-L234 HydrophobicContact CD1-CD1 4.09Å; I196-L234 HydrophobicContact CG2-CD1 3.96Å; I196-L234 HydrophobicContact CG2-CD2 4.32Å; P198-L234 CarbonylContact C-O 3.57Å; P198-L234 VanDerWaalsContact CA-O 3.27Å; P198-L234 WeakPolarHBondContact CA-O 3.47Å; F199-L234 PolarHBondContact N-O 3.25Å; F209-L234 HydrophobicContact CE2-CB 3.98Å; F209-L234 HydrophobicContact CZ-CB 4.21Å; F213-L234 HydrophobicContact CD2-CD1 3.91Å; F213-L234 HydrophobicContact CE2-CD1 4.29Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.09Å; L231-L234 PolarHBondContact O-N 3.27Å; L231-L234 VanDerWaalsContact O-N 3.13Å
235L80.2Confident70.6Confident12 Ų1264.5 Ų64.56%0.06330%0.296CS..BIsolated β-bridgetrans-112.5124.2-179.5-63.4174.6000110.6F199 F209 L231 Q233 M237 L240 I248F199-L235 HydrophobicContact CB-CD2 3.78Å; F199-L235 HydrophobicContact CD1-CD2 4.08Å; F199-L235 HydrophobicContact CG-CD2 4.35Å; F209-L235 HydrophobicContact CE1-CD2 3.65Å; F209-L235 HydrophobicContact CE2-CD2 4.48Å; F209-L235 HydrophobicContact CZ-CD2 3.53Å; F209-L235 HydrophobicContact CZ-CG 4.37Å; L231-L235 HydrophobicContact CD1-CD1 3.66Å; L231-L235 HydrophobicContact CD1-CD2 4.23Å; L231-L235 HydrophobicContact CD1-CG 3.89Å; L231-L235 HydrophobicContact CD2-CD1 4.21Å; L231-L235 HydrophobicContact CG-CD1 3.54Å; L231-L235 HydrophobicContact CG-CG 4.16Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L235 VanDerWaalsContact O-N 3.11Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 HydrophobicContact CB-SD 3.99Å; L235-M237 HydrophobicContact CD1-SD 3.94Å; L235-M237 PolarHBondContact O-N 3.35Å; L235-L240 HydrophobicContact CB-CD1 4.41Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD2-CD2 4.24Å; L235-I248 HydrophobicContact CD1-CD1 3.58Å; L235-I248 HydrophobicContact CD1-CG1 4.07Å; L235-I248 HydrophobicContact CD1-CG2 3.84Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; L235-I248 HydrophobicContact CG-CD1 4.21Å
236D70.8Confident70.1Confident58 Ų5859.7 Ų59.731%0.3127%0.273SS..  trans-77.390.7158.2-171.5-12.1000108.3F199 R238 R239 L240F199-D236 PolarHBondContact O-N 3.23Å; D236-R238 PolarHBondContact O-N 3.17Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 PolarHBondContact OD1-N 3.41Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; D236-R239 HydrophobicContact CB-CB 4.29Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 WeakPolarHBondContact O-CA 3.25Å; D236-R239 PolarHBondContact O-N 3.23Å; D236-R239 WeakPolarHBondContact OD2-CD 3.44Å; D236-R239 WeakPolarHBondContact OD2-CG 3.33Å; D236-R239 IonicContact OD2-CZ 2.84Å; D236-R239 IonicContact OD2-NE 3.04Å; D236-R239 PolarHBondContact OD2-NE 3.27Å; D236-L240 PolarHBondContact O-N 3.4Å
237M61.4Low69.6Low101 Ų10158.1 Ų58.150%0.49827%0.267SS..G310 helixtrans-54.6-24.6-178.8-64.2-64.3-63.300112.9L235 R239 L240L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 HydrophobicContact CB-SD 3.99Å; L235-M237 HydrophobicContact CD1-SD 3.94Å; L235-M237 PolarHBondContact O-N 3.35Å; M237-R239 PolarHBondContact O-N 3.35Å; M237-L240 HydrophobicContact CE-CD1 3.8Å; M237-L240 HydrophobicContact SD-CD1 3.36Å; M237-L240 WeakPolarHBondContact SD-CD1 3.49Å
238R59.7Low69.1Low219 Ų21958 Ų5883%0.82627%0.267SS*.G310 helixtrans-74.9-17177.6-55.9-178.1-169.91784.6112.8D236 Y241D236-R238 PolarHBondContact O-N 3.17Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 PolarHBondContact OD1-N 3.41Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; R238-Y241 PolarHBondContact O-OH 2.95Å; R238-Y241 VanDerWaalsContact O-OH 3.14Å
239R62.7Low68.6Low137 Ų13758.4 Ų58.452%0.51727%0.273SS..G310 helixtrans-108.93-179.4-57.3-177.6-168.2-138.1-3.4112.8D200 G201 D236 M237 Y241D200-R239 VanDerWaalsContact O-CB 3.32Å; D200-R239 WeakPolarHBondContact O-CB 3.37Å; D200-R239 WeakPolarHBondContact O-CD 3.14Å; G201-R239 WeakPolarHBondContact CA-O 3.44Å; D236-R239 HydrophobicContact CB-CB 4.29Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 WeakPolarHBondContact O-CA 3.25Å; D236-R239 PolarHBondContact O-N 3.23Å; D236-R239 WeakPolarHBondContact OD2-CD 3.44Å; D236-R239 WeakPolarHBondContact OD2-CG 3.33Å; D236-R239 IonicContact OD2-CZ 2.84Å; D236-R239 IonicContact OD2-NE 3.04Å; D236-R239 PolarHBondContact OD2-NE 3.27Å; M237-R239 PolarHBondContact O-N 3.35Å; R239-Y241 HydrophobicContact CB-CE2 4.41Å; R239-Y241 WeakPolarHBondContact O-CD2 3.46Å; R239-Y241 WeakPolarHBondContact O-CE2 3.36Å; R239-Y241 PolarHBondContact O-N 3.03Å
240L59.6Low68.3Low15 Ų1557.5 Ų57.58%0.07927%0.265CS..  trans-72.9100.3173.6-69.7-178.8000110.1F199 L235 D236 M237 I248F199-L240 HydrophobicContact CD1-CD2 3.58Å; F199-L240 HydrophobicContact CE1-CD2 3.73Å; L235-L240 HydrophobicContact CB-CD1 4.41Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD2-CD2 4.24Å; D236-L240 PolarHBondContact O-N 3.4Å; M237-L240 HydrophobicContact CE-CD1 3.8Å; M237-L240 HydrophobicContact SD-CD1 3.36Å; M237-L240 WeakPolarHBondContact SD-CD1 3.49Å; L240-I248 HydrophobicContact CD1-CD1 3.66Å; L240-I248 HydrophobicContact CD2-CD1 3.5Å; L240-I248 VanDerWaalsContact CD2-CD1 3.5Å; L240-I248 HydrophobicContact CG-CD1 4.23Å
241Y56.3Low68Low156 Ų15656.7 Ų56.761%0.61226%0.261SS*.  trans-115.5154.9170.2-54.8-76.3000108.9R238 R239 S244R238-Y241 PolarHBondContact O-OH 2.95Å; R238-Y241 VanDerWaalsContact O-OH 3.14Å; R239-Y241 HydrophobicContact CB-CE2 4.41Å; R239-Y241 WeakPolarHBondContact O-CD2 3.46Å; R239-Y241 WeakPolarHBondContact O-CE2 3.36Å; R239-Y241 PolarHBondContact O-N 3.03Å; Y241-S244 PolarHBondContact O-OG 3.49Å
242G59Low67.3Low7 Ų758.5 Ų58.57%0.07227%0.27CS..THydrogen-bonded Turntrans80.4-162.7169.900000114S244 S245 A246 A271G242-S244 PolarHBondContact O-N 3.03Å; G242-S245 VanDerWaalsContact O-CB 3.29Å; G242-S245 WeakPolarHBondContact O-CB 3.41Å; G242-S245 PolarHBondContact O-N 2.8Å; G242-A246 PolarHBondContact O-N 3.13Å; G242-A271 VanDerWaalsContact CA-CA 3.49Å
243N55.7Low67Low36 Ų3657.8 Ų57.819%0.19327%0.268CS..Hα-helixtrans-64.7-22.5-178.2-69.933.1000113S245 A246 V247 I275 R314N243-S245 PolarHBondContact O-N 3.1Å; N243-A246 PolarHBondContact O-N 3Å; N243-A246 VanDerWaalsContact O-N 3.16Å; N243-V247 HydrophobicContact CB-CG2 4.4Å; N243-V247 WeakPolarHBondContact O-CB 3.47Å; N243-V247 WeakPolarHBondContact O-CG2 3.3Å; N243-V247 PolarHBondContact O-N 3Å; N243-I275 HydrophobicContact CB-CD1 4.15Å; N243-R314 PolarHBondContact ND2-NH1 2.91Å; N243-R314 PolarHBondContact OD1-NH1 2.63Å
244S62.8Low66.6Low4 Ų453.7 Ų53.73%0.02825%0.247CC..Hα-helixtrans-58.1-41.8172.853.70000109.5W206 Y241 G242 I248W206-S244 VanDerWaalsContact CE3-CB 3.46Å; Y241-S244 PolarHBondContact O-OG 3.49Å; G242-S244 PolarHBondContact O-N 3.03Å; S244-I248 WeakPolarHBondContact O-CB 3.34Å; S244-I248 WeakPolarHBondContact O-CD1 3.34Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 3.45Å
245S65.6Low65.9Low17 Ų1752.8 Ų52.812%0.11924%0.243CC..Hα-helixtrans-61.8-46172.9-1690000112.7G242 N243 A249 L267G242-S245 VanDerWaalsContact O-CB 3.29Å; G242-S245 WeakPolarHBondContact O-CB 3.41Å; G242-S245 PolarHBondContact O-N 2.8Å; N243-S245 PolarHBondContact O-N 3.1Å; S245-A249 VanDerWaalsContact O-CB 3.23Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.38Å; S245-L267 VanDerWaalsContact OG-CD2 3.28Å; S245-L267 WeakPolarHBondContact OG-CD2 3.5Å
246A64.6Low64.9Low19 Ų1954.1 Ų54.116%0.15725%0.253CS..Hα-helixtrans-64.9-42.2178.800000113G242 N243 A249 A250 D268G242-A246 PolarHBondContact O-N 3.13Å; N243-A246 PolarHBondContact O-N 3Å; N243-A246 VanDerWaalsContact O-N 3.16Å; A246-A249 CarbonylContact O-C 3.5Å; A246-A249 WeakPolarHBondContact O-CB 3.34Å; A246-A249 PolarHBondContact O-N 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.35Å; A246-A250 PolarHBondContact O-N 3.15Å; A246-D268 WeakPolarHBondContact CB-OD1 3.36Å
247V66.2Low64.1Low24 Ų2457.1 Ų57.115%0.14527%0.269CS..Hα-helixtrans-72-40.9179.61750000110.3D166 I169 W206 N243 A249 A250 Y251D166-V247 HydrophobicContact CB-CG1 3.85Å; D166-V247 WeakPolarHBondContact OD2-CG2 3.43Å; I169-V247 HydrophobicContact CD1-CG1 3.32Å; W206-V247 HydrophobicContact CH2-CG1 4.34Å; W206-V247 HydrophobicContact CZ2-CB 3.92Å; W206-V247 HydrophobicContact CZ2-CG1 3.56Å; N243-V247 HydrophobicContact CB-CG2 4.4Å; N243-V247 WeakPolarHBondContact O-CB 3.47Å; N243-V247 WeakPolarHBondContact O-CG2 3.3Å; N243-V247 PolarHBondContact O-N 3Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A250 PolarHBondContact O-N 2.62Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.24Å
248I72.2Confident63.5Low5 Ų558 Ų583%0.02627%0.274CS..Hα-helixtrans-59.9-47.3169.1-71.3160.2000108.8W206 L231 L235 L240 S244 A250 Y251 L252W206-I248 HydrophobicContact CH2-CD1 4.06Å; W206-I248 HydrophobicContact CH2-CG1 3.72Å; W206-I248 HydrophobicContact CZ3-CD1 3.85Å; W206-I248 HydrophobicContact CZ3-CG1 4.05Å; L231-I248 HydrophobicContact CD2-CG2 4.39Å; L235-I248 HydrophobicContact CD1-CD1 3.58Å; L235-I248 HydrophobicContact CD1-CG1 4.07Å; L235-I248 HydrophobicContact CD1-CG2 3.84Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; L235-I248 HydrophobicContact CG-CD1 4.21Å; L240-I248 HydrophobicContact CD1-CD1 3.66Å; L240-I248 HydrophobicContact CD2-CD1 3.5Å; L240-I248 VanDerWaalsContact CD2-CD1 3.5Å; L240-I248 HydrophobicContact CG-CD1 4.23Å; S244-I248 WeakPolarHBondContact O-CB 3.34Å; S244-I248 WeakPolarHBondContact O-CD1 3.34Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 3.45Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.77Å; I248-Y251 CarbonylContact O-C 3.54Å; I248-Y251 WeakPolarHBondContact O-CB 3.45Å; I248-Y251 PolarHBondContact O-N 2.83Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; I248-L252 HydrophobicContact CG2-CD1 3.73Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.45Å; I248-L252 PolarHBondContact O-N 2.78Å
249A66.3Low62.8Low24 Ų2456.1 Ų56.120%0.19828%0.275CS..Hα-helixtrans-59.8-39.3176.600000112.3S245 A246 V247 R253 V263S245-A249 VanDerWaalsContact O-CB 3.23Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.38Å; A246-A249 CarbonylContact O-C 3.5Å; A246-A249 WeakPolarHBondContact O-CB 3.34Å; A246-A249 PolarHBondContact O-N 3.24Å; V247-A249 VanDerWaalsContact C-N 3.34Å; A249-R253 VanDerWaalsContact O-CB 3.25Å; A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 PolarHBondContact O-N 3.47Å; A249-V263 HydrophobicContact CB-CB 4.45Å; A249-V263 HydrophobicContact CB-CG1 4.02Å
250A68.7Low62Low25 Ų2553.3 Ų53.321%0.20727%0.274CS..Hα-helixtrans-65.5-43.4173.900000112A246 V247 I248 R253 K254A246-A250 WeakPolarHBondContact O-CB 3.35Å; A246-A250 PolarHBondContact O-N 3.15Å; V247-A250 PolarHBondContact O-N 2.62Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.77Å; A250-R253 PolarHBondContact O-N 2.84Å; A250-K254 WeakPolarHBondContact O-CG 3.27Å; A250-K254 PolarHBondContact O-N 3.21Å
251Y73.2Confident61.1Low4 Ų458.8 Ų58.82%0.01631%0.308CS..Hα-helixtrans-64-45.3175.4-175.9-106.4000111.6W168 I169 M172 F213 H218 L231 V247 I248 R253 K254 L255W168-Y251 AromaticContact CH2-CD2 3.99Å; W168-Y251 HydrophobicContact CH2-CD2 3.99Å; W168-Y251 AromaticContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CH2-CE2 3.46Å; W168-Y251 VanDerWaalsContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CZ3-CD2 4.2Å; W168-Y251 AromaticContact CZ3-CE2 3.64Å; W168-Y251 HydrophobicContact CZ3-CE2 3.64Å; I169-Y251 HydrophobicContact CD1-CD2 4.36Å; I169-Y251 HydrophobicContact CG1-CD2 4.08Å; I169-Y251 HydrophobicContact CG2-CD2 4.11Å; M172-Y251 HydrophobicContact CE-CD2 4.3Å; M172-Y251 HydrophobicContact CE-CE2 3.78Å; M172-Y251 HydrophobicContact SD-CD2 3.51Å; M172-Y251 VanDerWaalsContact SD-CD2 3.51Å; M172-Y251 HydrophobicContact SD-CE2 3.4Å; M172-Y251 WeakPolarHBondContact SD-CE2 3.3Å; F213-Y251 AromaticContact CE1-CE1 3.67Å; F213-Y251 HydrophobicContact CE1-CE1 3.67Å; F213-Y251 AromaticContact CE1-CZ 3.69Å; F213-Y251 WeakPolarHBondContact CE1-OH 3.44Å; F213-Y251 HydrophobicContact CZ-CE1 4.07Å; H218-Y251 PolarHBondContact ND1-OH 3.09Å; L231-Y251 HydrophobicContact CD2-CD1 3.48Å; L231-Y251 VanDerWaalsContact CD2-CD1 3.48Å; L231-Y251 HydrophobicContact CD2-CE1 3.72Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.24Å; I248-Y251 CarbonylContact O-C 3.54Å; I248-Y251 WeakPolarHBondContact O-CB 3.45Å; I248-Y251 PolarHBondContact O-N 2.83Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.04Å; Y251-K254 PolarHBondContact O-N 3.35Å; Y251-K254 VanDerWaalsContact O-N 3.16Å; Y251-L255 HydrophobicContact CD1-CD1 3.78Å; Y251-L255 HydrophobicContact CD1-CG 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.16Å; Y251-L255 HydrophobicContact CE1-CD2 4.37Å; Y251-L255 HydrophobicContact CE1-CG 3.77Å; Y251-L255 HydrophobicContact CE2-CD1 4.44Å; Y251-L255 HydrophobicContact CE2-CD2 4.27Å; Y251-L255 HydrophobicContact CE2-CG 4.24Å; Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.34Å
252L70.5Confident60.3Low40 Ų4060.3 Ų60.321%0.20932%0.318CS..Hα-helixtrans-58.4-44.6174.4-70.3179000111.2L228 L231 I248 K254 L255 S256L228-L252 HydrophobicContact CD1-CD2 3Å; L228-L252 HydrophobicContact CD1-CG 4.47Å; L231-L252 HydrophobicContact CD2-CD2 4.2Å; I248-L252 HydrophobicContact CG2-CD1 3.73Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.45Å; I248-L252 PolarHBondContact O-N 2.78Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.45Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-S256 WeakPolarHBondContact O-CB 3.03Å; L252-S256 PolarHBondContact O-N 3.2Å; L252-S256 PolarHBondContact O-OG 2.92Å
253R68.1Low59.5Low137 Ų13763.6 Ų63.652%0.51734%0.337SS..Hα-helixtrans-61-41.8175.7178.3175.355.6104.5-0.1111.6A249 A250 Y251A249-R253 VanDerWaalsContact O-CB 3.25Å; A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 PolarHBondContact O-N 3.47Å; A250-R253 PolarHBondContact O-N 2.84Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.04Å
254K71.9Confident58.8Low62 Ų6269 Ų6927%0.2735%0.354SS..Hα-helixtrans-71.2-33.5176.6-74-166.8172-152.40113.8I169 S170 M172 A250 Y251 L252I169-K254 VanDerWaalsContact O-CD 3.24Å; I169-K254 WeakPolarHBondContact O-CD 3.5Å; I169-K254 WeakPolarHBondContact O-CE 3.32Å; I169-K254 PolarHBondContact O-NZ 3.15Å; S170-K254 PolarHBondContact O-NZ 3.15Å; M172-K254 HydrophobicContact CB-CD 3.93Å; M172-K254 PolarHBondContact O-NZ 2.7Å; M172-K254 HydrophobicContact SD-CD 4.38Å; A250-K254 WeakPolarHBondContact O-CG 3.27Å; A250-K254 PolarHBondContact O-N 3.21Å; Y251-K254 PolarHBondContact O-N 3.35Å; Y251-K254 VanDerWaalsContact O-N 3.16Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.45Å
255L67.7Low57.6Low7 Ų773.2 Ų73.24%0.03738%0.382CS..Hα-helixtrans-76.3-38.5178.5-75-170.8000113M172 N224 R227 L228 Y251 L252M172-L255 HydrophobicContact CE-CD2 3.97Å; N224-L255 HydrophobicContact CB-CB 4.32Å; N224-L255 HydrophobicContact CB-CD2 3.99Å; N224-L255 PolarHBondContact ND2-O 3.21Å; N224-L255 VanDerWaalsContact OD1-CD2 3.32Å; N224-L255 WeakPolarHBondContact OD1-CD2 3.43Å; R227-L255 HydrophobicContact CB-CD1 4.04Å; L228-L255 HydrophobicContact CB-CD1 4.23Å; Y251-L255 HydrophobicContact CD1-CD1 3.78Å; Y251-L255 HydrophobicContact CD1-CG 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.16Å; Y251-L255 HydrophobicContact CE1-CD2 4.37Å; Y251-L255 HydrophobicContact CE1-CG 3.77Å; Y251-L255 HydrophobicContact CE2-CD1 4.44Å; Y251-L255 HydrophobicContact CE2-CD2 4.27Å; Y251-L255 HydrophobicContact CE2-CG 4.24Å; Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.34Å; L252-L255 PolarHBondContact O-N 2.97Å
256S59.8Low56.4Low40 Ų4076.4 Ų76.428%0.2840%0.398SS..Hα-helixtrans-86.9-11.5-167.256.50000114.6L252 I258L252-S256 WeakPolarHBondContact O-CB 3.03Å; L252-S256 PolarHBondContact O-N 3.2Å; L252-S256 PolarHBondContact O-OG 2.92Å; S256-I258 WeakPolarHBondContact O-CD1 3.46Å; S256-I258 WeakPolarHBondContact O-CG1 3.46Å; S256-I258 PolarHBondContact O-N 3.11Å
257N55Low55.5Low121 Ų12178.2 Ų78.265%0.64741%0.405SS*.  trans46.216.4-171.9-72.3-1.5000114.3
258I48.6Very low54.7Low119 Ų11980.8 Ų80.861%0.6142%0.418SS*.SBendtrans-112.8126.4-174.5-71.1157.4000106.2S256S256-I258 WeakPolarHBondContact O-CD1 3.46Å; S256-I258 WeakPolarHBondContact O-CG1 3.46Å; S256-I258 PolarHBondContact O-N 3.11Å
259E45.3Very low53.8Low180 Ų18084.9 Ų84.984%0.84144%0.443SS*.  trans-47.4125.1172.7-158179.3-164.600109V261E259-V261 PolarHBondContact O-N 3.43Å; E259-V261 VanDerWaalsContact O-N 3.16Å
260P44.7Very low53.3Low77 Ų7787.6 Ų87.650%0.546%0.457SS..  trans-62.6127.5-161.823.9-32.6000109.5K262P260-K262 PolarHBondContact O-N 2.91Å
261V41.7Very low52.9Low130 Ų13086.6 Ų86.679%0.78845%0.449SS*.  trans-37.1119.1144.6172.20000105.2E259 V263E259-V261 PolarHBondContact O-N 3.43Å; E259-V261 VanDerWaalsContact O-N 3.16Å; V261-V263 WeakPolarHBondContact O-CG2 3.46Å; V261-V263 PolarHBondContact O-N 2.9Å
262K39.6Very low52.6Low189 Ų18988.1 Ų88.182%0.82246%0.457SS*.  trans-50.873.5-171.2-169.6170.6-176.91660112.2P260 R264P260-K262 PolarHBondContact O-N 2.91Å; K262-R264 PolarHBondContact O-N 3.14Å
263V42.5Very low52.7Low76 Ų7691.8 Ų91.846%0.46147%0.473SS..  trans-78.874.5166.6-175.50000104.7A249 V261 C265 L267A249-V263 HydrophobicContact CB-CB 4.45Å; A249-V263 HydrophobicContact CB-CG1 4.02Å; V261-V263 WeakPolarHBondContact O-CG2 3.46Å; V261-V263 PolarHBondContact O-N 2.9Å; V263-C265 PolarHBondContact O-N 3.13Å; V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 HydrophobicContact CG1-CD2 4.33Å
264R39.9Very low52.9Low150 Ų15088.1 Ų88.157%0.56647%0.468SS*.  trans-14.8113.2170.6-167.9163.4169.3-175.9-9.4113.5K262 D266 L267K262-R264 PolarHBondContact O-N 3.14Å; R264-D266 HydrophobicContact CG-CB 3.83Å; R264-D266 VanDerWaalsContact CG-OD2 3.3Å; R264-D266 WeakPolarHBondContact CG-OD2 3.03Å; R264-D266 IonicContact CZ-OD2 3.8Å; R264-D266 IonicContact NE-OD2 2.77Å; R264-D266 PolarHBondContact NE-OD2 2.88Å; R264-D266 IonicContact NH2-OD2 3.74Å; R264-D266 PolarHBondContact O-N 3.47Å; R264-L267 HydrophobicContact CB-CD1 3.91Å; R264-L267 WeakPolarHBondContact O-CB 3.43Å; R264-L267 WeakPolarHBondContact O-CD1 3.16Å; R264-L267 PolarHBondContact O-N 3.35Å
265C37.6Very low53.1Low91 Ų9185.5 Ų85.562%0.61546%0.457SS*.THydrogen-bonded Turntrans-54.1-14.7172.2-47.70000113.8V263 L267 D268V263-C265 PolarHBondContact O-N 3.13Å; C265-L267 PolarHBondContact O-N 3.48Å; C265-D268 PolarHBondContact O-N 3.28Å; C265-D268 VanDerWaalsContact O-N 3.15Å
266D40.1Very low53.9Low84 Ų8485.9 Ų85.945%0.44946%0.459SS..Hα-helixtrans-63.4-18.5169.2-50.2-26.2000112.5R264 D268 T270R264-D266 HydrophobicContact CG-CB 3.83Å; R264-D266 VanDerWaalsContact CG-OD2 3.3Å; R264-D266 WeakPolarHBondContact CG-OD2 3.03Å; R264-D266 IonicContact CZ-OD2 3.8Å; R264-D266 IonicContact NE-OD2 2.77Å; R264-D266 PolarHBondContact NE-OD2 2.88Å; R264-D266 IonicContact NH2-OD2 3.74Å; R264-D266 PolarHBondContact O-N 3.47Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.21Å; D266-T270 WeakPolarHBondContact O-CG2 3.4Å; D266-T270 PolarHBondContact O-N 3.14Å; D266-T270 PolarHBondContact O-OG1 2.88Å
267L45.1Very low55.1Low57 Ų5786.1 Ų86.130%0.29846%0.464SS..Hα-helixtrans-62.5-34.1172.4-89.889.1000111.3S245 V263 R264 C265 T270 A271S245-L267 VanDerWaalsContact OG-CD2 3.28Å; S245-L267 WeakPolarHBondContact OG-CD2 3.5Å; V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 HydrophobicContact CG1-CD2 4.33Å; R264-L267 HydrophobicContact CB-CD1 3.91Å; R264-L267 WeakPolarHBondContact O-CB 3.43Å; R264-L267 WeakPolarHBondContact O-CD1 3.16Å; R264-L267 PolarHBondContact O-N 3.35Å; C265-L267 PolarHBondContact O-N 3.48Å; L267-T270 PolarHBondContact O-OG1 3.47Å; L267-A271 WeakPolarHBondContact O-CA 3.4Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 3.39Å
268D50.4Low56.5Low79 Ų7981.2 Ų81.242%0.42244%0.439SS..Hα-helixtrans-68.5-45.5-171-69.4-24.2000113.2A246 C265 D266 A271 I272A246-D268 WeakPolarHBondContact CB-OD1 3.36Å; C265-D268 PolarHBondContact O-N 3.28Å; C265-D268 VanDerWaalsContact O-N 3.15Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.21Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; D268-I272 WeakPolarHBondContact O-CD1 3.32Å; D268-I272 VanDerWaalsContact O-CG1 3.26Å; D268-I272 WeakPolarHBondContact O-CG1 3.45Å; D268-I272 PolarHBondContact O-N 2.74Å; D268-I272 VanDerWaalsContact O-N 3.14Å
269V53.7Low58.4Low90 Ų9075.5 Ų75.555%0.54541%0.41SS..Hα-helixtrans-74.6-45.8-179-179.80000110.6A271 I272 H273V269-A271 PolarHBondContact O-N 2.77Å; V269-I272 PolarHBondContact O-N 3.28Å; V269-H273 PolarHBondContact O-CD2 3.01Å; V269-H273 PolarHBondContact O-N 2.94Å; V269-H273 VanDerWaalsContact O-N 3.11Å
270T54.9Low60.5Low82 Ų8269.5 Ų69.550%0.50338%0.384SS..Hα-helixtrans-63.1-33176.557.90000111.8D266 L267 S274D266-T270 WeakPolarHBondContact O-CG2 3.4Å; D266-T270 PolarHBondContact O-N 3.14Å; D266-T270 PolarHBondContact O-OG1 2.88Å; L267-T270 PolarHBondContact O-OG1 3.47Å; T270-S274 WeakPolarHBondContact O-CB 3.28Å; T270-S274 PolarHBondContact O-N 3.33Å; T270-S274 PolarHBondContact O-OG 3.23Å
271A59.7Low62.7Low4 Ų472.5 Ų72.53%0.03339%0.385CS..Hα-helixtrans-62.6-49.8174.200000113G242 L267 D268 V269 H273 S274 I275G242-A271 VanDerWaalsContact CA-CA 3.49Å; L267-A271 WeakPolarHBondContact O-CA 3.4Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 3.39Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; V269-A271 PolarHBondContact O-N 2.77Å; A271-H273 VanDerWaalsContact C-N 3.34Å; A271-H273 PolarHBondContact O-N 3.24Å; A271-S274 PolarHBondContact O-N 2.79Å; A271-I275 WeakPolarHBondContact O-CG1 3.19Å; A271-I275 PolarHBondContact O-N 2.71Å
272I67.2Low64.9Low36 Ų3669 Ų6919%0.18536%0.359CS..Hα-helixtrans-59.7-48.7179.5-74.2161.8000109.4D268 V269 S274 I275 I276 R316D268-I272 WeakPolarHBondContact O-CD1 3.32Å; D268-I272 VanDerWaalsContact O-CG1 3.26Å; D268-I272 WeakPolarHBondContact O-CG1 3.45Å; D268-I272 PolarHBondContact O-N 2.74Å; D268-I272 VanDerWaalsContact O-N 3.14Å; V269-I272 PolarHBondContact O-N 3.28Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 2.91Å; I272-I275 PolarHBondContact O-N 3.35Å; I272-I276 HydrophobicContact CG2-CD1 3.61Å; I272-I276 HydrophobicContact CG2-CG1 4.4Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.49Å; I272-I276 PolarHBondContact O-N 2.84Å; I272-R316 VanDerWaalsContact CG2-NH2 3.28Å
273H72.6Confident67.4Low117 Ų11760.2 Ų60.254%0.54232%0.321SS..Hα-helixtrans-62.5-39.1178.4-70.7-62.2000112.5V269 A271 I275 I276 A277V269-H273 PolarHBondContact O-CD2 3.01Å; V269-H273 PolarHBondContact O-N 2.94Å; V269-H273 VanDerWaalsContact O-N 3.11Å; A271-H273 VanDerWaalsContact C-N 3.34Å; A271-H273 PolarHBondContact O-N 3.24Å; H273-I275 VanDerWaalsContact C-N 3.32Å; H273-I275 PolarHBondContact O-N 3.42Å; H273-I276 PolarHBondContact O-N 3.5Å; H273-A277 VanDerWaalsContact O-CB 3.22Å; H273-A277 WeakPolarHBondContact O-CB 3.38Å; H273-A277 PolarHBondContact O-N 2.88Å
274S73.6Confident69.8Low60 Ų6059 Ų5942%0.4232%0.316SS..Hα-helixtrans-63-38.9177.1-61.70000112.2T270 A271 I272 A278T270-S274 WeakPolarHBondContact O-CB 3.28Å; T270-S274 PolarHBondContact O-N 3.33Å; T270-S274 PolarHBondContact O-OG 3.23Å; A271-S274 PolarHBondContact O-N 2.79Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 2.91Å; S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.27Å
275I75.6Confident72.2Confident6 Ų657.4 Ų57.43%0.03132%0.319CS..Hα-helixtrans-73.9-42.8178.4-68.7175.5000111.1P203 N243 A271 I272 H273 A277 A278 C279 V310P203-I275 HydrophobicContact CB-CD1 4.31Å; P203-I275 HydrophobicContact CB-CG1 4.26Å; P203-I275 HydrophobicContact CB-CG2 4.34Å; N243-I275 HydrophobicContact CB-CD1 4.15Å; A271-I275 WeakPolarHBondContact O-CG1 3.19Å; A271-I275 PolarHBondContact O-N 2.71Å; I272-I275 PolarHBondContact O-N 3.35Å; H273-I275 VanDerWaalsContact C-N 3.32Å; H273-I275 PolarHBondContact O-N 3.42Å; I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.12Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-A278 VanDerWaalsContact O-N 3.14Å; I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.88Å; I275-C279 VanDerWaalsContact O-SG 3.35Å; I275-V310 HydrophobicContact CG2-CG1 3.93Å
276I83.4Confident74.7Confident15 Ų1553.2 Ų53.28%0.07729%0.29CS..Hα-helixtrans-57.2-48.2172.8-66.5164.8000109.6I272 H273 A278 C279 L280 R316 E319I272-I276 HydrophobicContact CG2-CD1 3.61Å; I272-I276 HydrophobicContact CG2-CG1 4.4Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.49Å; I272-I276 PolarHBondContact O-N 2.84Å; H273-I276 PolarHBondContact O-N 3.5Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 3.01Å; I276-C279 WeakPolarHBondContact O-CB 3.29Å; I276-C279 PolarHBondContact O-N 3.25Å; I276-C279 VanDerWaalsContact O-N 3.15Å; I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.21Å; I276-L280 WeakPolarHBondContact O-CG 3.3Å; I276-L280 PolarHBondContact O-N 2.83Å; I276-R316 HydrophobicContact CD1-CG 4.2Å; I276-R316 HydrophobicContact CG1-CG 4.16Å; I276-E319 HydrophobicContact CG2-CG 3.84Å
277A85.5Confident77.2Confident46 Ų4653 Ų5338%0.3829%0.287SS..Hα-helixtrans-60.3-38.8176.900000112.2H273 I275 R281H273-A277 VanDerWaalsContact O-CB 3.22Å; H273-A277 WeakPolarHBondContact O-CB 3.38Å; H273-A277 PolarHBondContact O-N 2.88Å; I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.12Å; A277-R281 WeakPolarHBondContact O-CB 3.28Å; A277-R281 PolarHBondContact O-N 3.43Å
278A84.7Confident79.5Confident17 Ų1753.9 Ų53.914%0.1430%0.296CS..Hα-helixtrans-66.1-41.4174.500000112.6S274 I275 I276 R281 K282S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.27Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-A278 VanDerWaalsContact O-N 3.14Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 3.01Å; A278-R281 PolarHBondContact O-N 2.89Å; A278-K282 WeakPolarHBondContact O-CB 3.42Å; A278-K282 PolarHBondContact O-N 3.2Å
279C88.4Confident81.5Confident0 Ų050.6 Ų50.60%028%0.279CS..Hα-helixtrans-62.1-50.1174.3-720000111.4I275 I276 R281 K282 L283 V307 L311I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.88Å; I275-C279 VanDerWaalsContact O-SG 3.35Å; I276-C279 WeakPolarHBondContact O-CB 3.29Å; I276-C279 PolarHBondContact O-N 3.25Å; I276-C279 VanDerWaalsContact O-N 3.15Å; C279-R281 VanDerWaalsContact C-N 3.31Å; C279-R281 PolarHBondContact O-N 3.12Å; C279-K282 PolarHBondContact O-N 3.39Å; C279-K282 VanDerWaalsContact O-N 3.13Å; C279-L283 WeakPolarHBondContact O-CG 3.4Å; C279-L283 PolarHBondContact O-N 3.07Å; C279-V307 HydrophobicContact CB-CG1 3.62Å; C279-L311 HydrophobicContact CB-CD1 4.3Å; C279-L311 HydrophobicContact CB-CD2 3.84Å; C279-L311 HydrophobicContact CB-CG 4.05Å
280L90.6Very high83.3Confident53 Ų5351.5 Ų51.528%0.27728%0.275SS..Hα-helixtrans-63-38.3178.3-66.5177.9000111.9I276 L283 S284 T325I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.21Å; I276-L280 WeakPolarHBondContact O-CG 3.3Å; I276-L280 PolarHBondContact O-N 2.83Å; L280-L283 PolarHBondContact O-N 3.36Å; L280-S284 WeakPolarHBondContact O-CB 3.09Å; L280-S284 PolarHBondContact O-N 2.96Å; L280-S284 PolarHBondContact O-OG 3.11Å; L280-T325 HydrophobicContact CD2-CG2 4.12Å
281R89.1Confident84.7Confident140 Ų14053 Ų5353%0.52828%0.284SS..Hα-helixtrans-65.3-40.1173.4-162.9-172.1-31.2105.77.3111.7A277 A278 C279 S284 N285A277-R281 WeakPolarHBondContact O-CB 3.28Å; A277-R281 PolarHBondContact O-N 3.43Å; A278-R281 PolarHBondContact O-N 2.89Å; C279-R281 VanDerWaalsContact C-N 3.31Å; C279-R281 PolarHBondContact O-N 3.12Å; R281-S284 VanDerWaalsContact CA-OG 3.31Å; R281-S284 WeakPolarHBondContact CA-OG 3.43Å; R281-S284 PolarHBondContact O-OG 3.28Å; R281-N285 VanDerWaalsContact O-CB 3.25Å; R281-N285 WeakPolarHBondContact O-CB 2.79Å; R281-N285 PolarHBondContact O-N 3.14Å; R281-N285 PolarHBondContact O-ND2 3.03Å
282K89.4Confident85.6Confident58 Ų5864.6 Ų64.625%0.25233%0.327SS..Hα-helixtrans-65-48.1175.6-171.9167.2167.3-163.40110.5F204 A278 C279 S284 N285 I286 V307F204-K282 HydrophobicContact CD2-CD 3.93Å; F204-K282 HydrophobicContact CE1-CD 4.18Å; F204-K282 HydrophobicContact CE2-CB 4.34Å; F204-K282 HydrophobicContact CE2-CD 3.36Å; F204-K282 HydrophobicContact CE2-CG 4.45Å; F204-K282 HydrophobicContact CZ-CB 4.18Å; F204-K282 HydrophobicContact CZ-CD 3.53Å; F204-K282 HydrophobicContact CZ-CG 4.45Å; A278-K282 WeakPolarHBondContact O-CB 3.42Å; A278-K282 PolarHBondContact O-N 3.2Å; C279-K282 PolarHBondContact O-N 3.39Å; C279-K282 VanDerWaalsContact O-N 3.13Å; K282-S284 PolarHBondContact O-N 3.46Å; K282-N285 CarbonylContact O-C 3.53Å; K282-N285 PolarHBondContact O-N 3.33Å; K282-I286 WeakPolarHBondContact O-CG1 3.38Å; K282-I286 PolarHBondContact O-N 2.74Å; K282-V307 HydrophobicContact CB-CG2 4.05Å; K282-V307 HydrophobicContact CD-CG2 3.52Å; K282-V307 HydrophobicContact CG-CG2 3.73Å
283L92.5Very high86.4Confident3 Ų365 Ų652%0.01633%0.333CS..Hα-helixtrans-58.1-42.2176.8-71.4172000113C279 L280 N285 I286 I304 V307 L311 T325 V329 I355C279-L283 WeakPolarHBondContact O-CG 3.4Å; C279-L283 PolarHBondContact O-N 3.07Å; L280-L283 PolarHBondContact O-N 3.36Å; L283-N285 VanDerWaalsContact C-N 3.35Å; L283-I286 HydrophobicContact CD2-CD1 4.03Å; L283-I304 HydrophobicContact CD2-CG1 4.48Å; L283-V307 HydrophobicContact CD1-CG1 4.01Å; L283-V307 HydrophobicContact CD2-CB 4.02Å; L283-V307 HydrophobicContact CD2-CG1 3.99Å; L283-V307 HydrophobicContact CD2-CG2 4.48Å; L283-V307 HydrophobicContact CG-CB 4.27Å; L283-V307 HydrophobicContact CG-CG1 3.7Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; L283-T325 HydrophobicContact CD1-CG2 3.63Å; L283-V329 HydrophobicContact CB-CG2 4.14Å; L283-V329 HydrophobicContact CD2-CG2 4.23Å; L283-I355 HydrophobicContact CD1-CD1 4.11Å; L283-I355 HydrophobicContact CD2-CD1 4.22Å
284S91Very high87.1Confident52 Ų5264.2 Ų64.236%0.36433%0.332SS..Hα-helixtrans-71.1-29.8178.448.50000113.3L280 R281 K282 K332L280-S284 WeakPolarHBondContact O-CB 3.09Å; L280-S284 PolarHBondContact O-N 2.96Å; L280-S284 PolarHBondContact O-OG 3.11Å; R281-S284 VanDerWaalsContact CA-OG 3.31Å; R281-S284 WeakPolarHBondContact CA-OG 3.43Å; R281-S284 PolarHBondContact O-OG 3.28Å; K282-S284 PolarHBondContact O-N 3.46Å; S284-K332 WeakPolarHBondContact O-CE 3.32Å; S284-K332 PolarHBondContact O-NZ 3.49Å
285N91Very high87.9Confident116 Ų11668 Ų6862%0.6235%0.347SS*.THydrogen-bonded Turntrans-98.79.3-178.6-66.2-24.2000114.2R281 K282 L283 E287R281-N285 VanDerWaalsContact O-CB 3.25Å; R281-N285 WeakPolarHBondContact O-CB 2.79Å; R281-N285 PolarHBondContact O-N 3.14Å; R281-N285 PolarHBondContact O-ND2 3.03Å; K282-N285 CarbonylContact O-C 3.53Å; K282-N285 PolarHBondContact O-N 3.33Å; L283-N285 VanDerWaalsContact C-N 3.35Å; N285-E287 PolarHBondContact O-N 3.25Å
286I91.3Very high88.6Confident3 Ų368.2 Ų68.22%0.01535%0.349CS..PPolyproline II helixtrans-57.8136.4171.5-58.1-174.7000108.9K282 L283 F300 E303 I304 K332K282-I286 WeakPolarHBondContact O-CG1 3.38Å; K282-I286 PolarHBondContact O-N 2.74Å; L283-I286 HydrophobicContact CD2-CD1 4.03Å; I286-F300 HydrophobicContact CB-CE2 4.24Å; I286-F300 HydrophobicContact CG2-CD2 3.41Å; I286-F300 VanDerWaalsContact CG2-CD2 3.41Å; I286-F300 HydrophobicContact CG2-CE2 3.41Å; I286-F300 VanDerWaalsContact CG2-CE2 3.41Å; I286-F300 HydrophobicContact CG2-CG 4.49Å; I286-F300 HydrophobicContact CG2-CZ 4.5Å; I286-E303 HydrophobicContact CD1-CB 4.36Å; I286-I304 HydrophobicContact CD1-CG1 3.54Å; I286-K332 WeakPolarHBondContact O-CD 3.49Å; I286-K332 PolarHBondContact O-NZ 3.16Å; I286-K332 VanDerWaalsContact O-NZ 3.15Å
287E92.4Very high89.1Confident80 Ų8067.9 Ų67.937%0.37435%0.347SS..PPolyproline II helixtrans-64131176.1-168.8178.2155.100109.5N285 K290 R299N285-E287 PolarHBondContact O-N 3.25Å; E287-K290 WeakPolarHBondContact OE1-CE 3.37Å; E287-K290 IonicContact OE1-NZ 2.62Å; E287-R299 IonicContact OE1-NH1 3.83Å; E287-R299 IonicContact OE2-CZ 2.66Å; E287-R299 IonicContact OE2-NH1 3.79Å; E287-R299 PolarHBondContact OE2-NH1 2.98Å; E287-R299 IonicContact OE2-NH2 3.54Å; E287-R299 PolarHBondContact OE2-NH2 3.02Å
288P93.2Very high89.4Confident74 Ų7468.1 Ų68.148%0.48134%0.34SS..PPolyproline II helixtrans-58.5144.6176.1-2332.9000112.7K290 K332P288-K290 PolarHBondContact O-N 3.36Å; P288-K332 CarbonylContact C-O 3.55Å; P288-K332 VanDerWaalsContact CA-O 3.28Å; P288-K332 WeakPolarHBondContact CA-O 3.25Å; P288-K332 HydrophobicContact CG-CD 4.04Å
289V92.9Very high89.8Confident11 Ų1171.3 Ų71.37%0.06735%0.349CS..PPolyproline II helixtrans-65.6130.7179.7-176.80000110.5D296 V297 F300 K332 L333 T334 L337V289-D296 VanDerWaalsContact CA-OD2 3.3Å; V289-D296 WeakPolarHBondContact CA-OD2 3.19Å; V289-V297 HydrophobicContact CG1-CG2 3.92Å; V289-F300 HydrophobicContact CG2-CB 3.7Å; V289-F300 HydrophobicContact CG2-CD1 3.74Å; V289-F300 HydrophobicContact CG2-CD2 3.52Å; V289-F300 HydrophobicContact CG2-CE1 4.2Å; V289-F300 HydrophobicContact CG2-CE2 4.03Å; V289-F300 HydrophobicContact CG2-CG 3.37Å; V289-F300 HydrophobicContact CG2-CZ 4.35Å; V289-K332 PolarHBondContact N-O 3.31Å; V289-L333 HydrophobicContact CG2-CD2 4.11Å; V289-T334 HydrophobicContact CB-CG2 4.18Å; V289-T334 HydrophobicContact CG1-CG2 4.15Å; V289-T334 WeakPolarHBondContact O-CG2 3.32Å; V289-L337 HydrophobicContact CG1-CD1 4.03Å
290K90.4Very high90Very high108 Ų10871.4 Ų71.447%0.4735%0.349SS..PPolyproline II helixtrans-71146.3175.5-67.9171.4-174.6160.60110.9E287 P288 R292 C293 D296E287-K290 WeakPolarHBondContact OE1-CE 3.37Å; E287-K290 IonicContact OE1-NZ 2.62Å; P288-K290 PolarHBondContact O-N 3.36Å; K290-R292 PolarHBondContact O-N 2.98Å; K290-C293 HydrophobicContact CB-CB 4.28Å; K290-D296 HydrophobicContact CB-CB 4.22Å; K290-D296 WeakPolarHBondContact CB-OD2 3.26Å; K290-D296 WeakPolarHBondContact CG-OD2 3.38Å; K290-D296 PolarHBondContact N-OD2 3.37Å
291V85.1Confident90.2Very high115 Ų11569.7 Ų69.770%0.69734%0.339SS*.THydrogen-bonded Turntrans-67.2127.6-178.2-179.90000110.1C293 T334V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.98Å; V291-T334 HydrophobicContact CG2-CG2 4.24Å
292R78.9Confident90.2Very high246 Ų24666.5 Ų66.593%0.92833%0.332SS*.THydrogen-bonded Turntrans57.639.3173.1-62.6173.5-179.9175.7-0.7114.2K290K290-R292 PolarHBondContact O-N 2.98Å
293C83.8Confident90.3Very high46 Ų4665.8 Ų65.831%0.31133%0.33SS..  trans-124.8103.4175.7-171.80000110.3K290 V291 L295 D296 V297K290-C293 HydrophobicContact CB-CB 4.28Å; V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.98Å; C293-L295 VanDerWaalsContact C-N 3.3Å; C293-L295 PolarHBondContact O-N 2.94Å; C293-D296 HydrophobicContact CB-CB 3.83Å; C293-D296 PolarHBondContact O-N 3.2Å; C293-D296 VanDerWaalsContact O-N 3.11Å; C293-V297 PolarHBondContact O-N 2.73Å
294D87.4Confident90.3Very high100 Ų10065.6 Ų65.654%0.53533%0.329SS..Hα-helixtrans-65.5-34.6-178.8-66.2-38.8000112.3D296 V297 E298 N369D294-D296 PolarHBondContact O-N 2.77Å; D294-V297 WeakPolarHBondContact O-CB 3.39Å; D294-V297 PolarHBondContact O-N 2.96Å; D294-E298 PolarHBondContact O-N 3.19Å; D294-N369 HydrophobicContact CB-CB 4.5Å; D294-N369 WeakPolarHBondContact CB-ND2 3.33Å; D294-N369 PolarHBondContact OD1-ND2 3.38Å
295L88.8Confident90.2Very high138 Ų13865.3 Ų65.372%0.72332%0.322SS*.Hα-helixtrans-59.3-35.6172.5-68.5171.2000112.3C293 E298 R299C293-L295 VanDerWaalsContact C-N 3.3Å; C293-L295 PolarHBondContact O-N 2.94Å; L295-E298 PolarHBondContact O-N 3.36Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 PolarHBondContact O-N 3.43Å
296D91.8Very high89.9Confident12 Ų1263.5 Ų63.56%0.06431%0.312CS..Hα-helixtrans-77.8-29.5-179.7-15868.3000111.7V289 K290 C293 D294 R299 F300V289-D296 VanDerWaalsContact CA-OD2 3.3Å; V289-D296 WeakPolarHBondContact CA-OD2 3.19Å; K290-D296 HydrophobicContact CB-CB 4.22Å; K290-D296 WeakPolarHBondContact CB-OD2 3.26Å; K290-D296 WeakPolarHBondContact CG-OD2 3.38Å; K290-D296 PolarHBondContact N-OD2 3.37Å; C293-D296 HydrophobicContact CB-CB 3.83Å; C293-D296 PolarHBondContact O-N 3.2Å; C293-D296 VanDerWaalsContact O-N 3.11Å; D294-D296 PolarHBondContact O-N 2.77Å; D296-R299 IonicContact OD1-NH1 2.78Å; D296-F300 VanDerWaalsContact O-CB 3.25Å; D296-F300 WeakPolarHBondContact O-CB 3.19Å; D296-F300 PolarHBondContact O-N 3.14Å
297V92.4Very high89.7Confident8 Ų863.4 Ų63.45%0.04831%0.311CS..Hα-helixtrans-63.9-43.5168.4-179.20000110.6V289 C293 D294 F300 Y301 L337 L362 I365 V366V289-V297 HydrophobicContact CG1-CG2 3.92Å; C293-V297 PolarHBondContact O-N 2.73Å; D294-V297 WeakPolarHBondContact O-CB 3.39Å; D294-V297 PolarHBondContact O-N 2.96Å; V297-F300 PolarHBondContact O-N 3.33Å; V297-Y301 WeakPolarHBondContact O-CB 3.38Å; V297-Y301 PolarHBondContact O-N 3.39Å; V297-L337 HydrophobicContact CG2-CD1 3.98Å; V297-L362 HydrophobicContact CG1-CD2 4.29Å; V297-I365 HydrophobicContact CG1-CG2 4.04Å; V297-V366 HydrophobicContact CG1-CG2 4.27Å
298E91.5Very high89.6Confident51 Ų5159.6 Ų59.624%0.23829%0.293CS..Hα-helixtrans-62.9-47176.5-178.9171.9150.200112D294 L295 F300 Y301 L302 V366 R370D294-E298 PolarHBondContact O-N 3.19Å; L295-E298 PolarHBondContact O-N 3.36Å; E298-F300 PolarHBondContact O-N 3.01Å; E298-Y301 WeakPolarHBondContact O-CB 3.5Å; E298-Y301 PolarHBondContact O-N 3Å; E298-L302 HydrophobicContact CG-CD1 4.14Å; E298-L302 WeakPolarHBondContact O-CG 3.38Å; E298-L302 PolarHBondContact O-N 3.33Å; E298-V366 HydrophobicContact CB-CG1 4.13Å; E298-V366 HydrophobicContact CB-CG2 4.14Å; E298-V366 HydrophobicContact CG-CG1 3.83Å; E298-R370 IonicContact OE1-CZ 3.3Å; E298-R370 IonicContact OE1-NE 3.63Å; E298-R370 IonicContact OE1-NH2 3.59Å; E298-R370 PolarHBondContact OE1-NH2 3.03Å; E298-R370 IonicContact OE2-CZ 2.7Å; E298-R370 IonicContact OE2-NE 3.65Å; E298-R370 PolarHBondContact OE2-NE 3.14Å; E298-R370 VanDerWaalsContact OE2-NE 3.07Å; E298-R370 IonicContact OE2-NH2 3.7Å; E298-R370 PolarHBondContact OE2-NH2 3.28Å
299R93.5Very high89.1Confident83 Ų8357.8 Ų57.831%0.31328%0.28SS..Hα-helixtrans-57.5-47.3174.2175.4-124.4168.9154.3-2.7111.7E287 L295 D296 Y301 L302 E303E287-R299 IonicContact OE1-NH1 3.83Å; E287-R299 IonicContact OE2-CZ 2.66Å; E287-R299 IonicContact OE2-NH1 3.79Å; E287-R299 PolarHBondContact OE2-NH1 2.98Å; E287-R299 IonicContact OE2-NH2 3.54Å; E287-R299 PolarHBondContact OE2-NH2 3.02Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 PolarHBondContact O-N 3.43Å; D296-R299 IonicContact OD1-NH1 2.78Å; R299-Y301 PolarHBondContact O-N 2.94Å; R299-L302 PolarHBondContact O-N 2.93Å; R299-E303 IonicContact CZ-OE1 3.73Å; R299-E303 VanDerWaalsContact CZ-OE1 3.3Å; R299-E303 IonicContact NE-OE1 3.59Å; R299-E303 PolarHBondContact NE-OE1 2.92Å; R299-E303 IonicContact NH2-OE1 2.72Å; R299-E303 PolarHBondContact NH2-OE1 3.03Å; R299-E303 PolarHBondContact O-N 3.06Å
300F94.2Very high88.5Confident3 Ų358.2 Ų58.21%0.01328%0.283CS..Hα-helixtrans-61.6-42.6178.2-176.3-96.1000112.3I286 V289 D296 V297 E298 E303 I304 V329 K332 L333 L362I286-F300 HydrophobicContact CB-CE2 4.24Å; I286-F300 HydrophobicContact CG2-CD2 3.41Å; I286-F300 VanDerWaalsContact CG2-CD2 3.41Å; I286-F300 HydrophobicContact CG2-CE2 3.41Å; I286-F300 VanDerWaalsContact CG2-CE2 3.41Å; I286-F300 HydrophobicContact CG2-CG 4.49Å; I286-F300 HydrophobicContact CG2-CZ 4.5Å; V289-F300 HydrophobicContact CG2-CB 3.7Å; V289-F300 HydrophobicContact CG2-CD1 3.74Å; V289-F300 HydrophobicContact CG2-CD2 3.52Å; V289-F300 HydrophobicContact CG2-CE1 4.2Å; V289-F300 HydrophobicContact CG2-CE2 4.03Å; V289-F300 HydrophobicContact CG2-CG 3.37Å; V289-F300 HydrophobicContact CG2-CZ 4.35Å; D296-F300 VanDerWaalsContact O-CB 3.25Å; D296-F300 WeakPolarHBondContact O-CB 3.19Å; D296-F300 PolarHBondContact O-N 3.14Å; V297-F300 PolarHBondContact O-N 3.33Å; E298-F300 PolarHBondContact O-N 3.01Å; F300-E303 PolarHBondContact O-N 3.42Å; F300-I304 HydrophobicContact CD1-CD1 3.66Å; F300-I304 HydrophobicContact CE1-CD1 3.16Å; F300-I304 HydrophobicContact CE1-CG1 4.34Å; F300-I304 HydrophobicContact CE2-CD1 4.42Å; F300-I304 HydrophobicContact CG-CD1 4.46Å; F300-I304 HydrophobicContact CZ-CD1 3.6Å; F300-I304 WeakPolarHBondContact O-CG1 3.39Å; F300-I304 PolarHBondContact O-N 3.33Å; F300-I304 VanDerWaalsContact O-N 3.14Å; F300-V329 HydrophobicContact CE1-CG1 4.32Å; F300-V329 HydrophobicContact CZ-CG1 3.9Å; F300-K332 HydrophobicContact CE2-CB 3.58Å; F300-K332 HydrophobicContact CE2-CG 4.46Å; F300-K332 HydrophobicContact CZ-CB 3.77Å; F300-L333 HydrophobicContact CD1-CD2 3.98Å; F300-L333 HydrophobicContact CE1-CD2 3.41Å; F300-L333 VanDerWaalsContact CE1-CD2 3.41Å; F300-L333 HydrophobicContact CE1-CG 4.36Å; F300-L333 HydrophobicContact CZ-CD2 4.01Å; F300-L362 HydrophobicContact CD1-CD1 3.94Å; F300-L362 HydrophobicContact CE1-CD1 3.94Å
301Y93.2Very high88.2Confident16 Ų1653.1 Ų53.16%0.06326%0.261CS..Hα-helixtrans-58-51.9173.7163.5-110.7000111.7V297 E298 R299 E303 I304 H305 E359 L362 E363 V366V297-Y301 WeakPolarHBondContact O-CB 3.38Å; V297-Y301 PolarHBondContact O-N 3.39Å; E298-Y301 WeakPolarHBondContact O-CB 3.5Å; E298-Y301 PolarHBondContact O-N 3Å; R299-Y301 PolarHBondContact O-N 2.94Å; Y301-E303 VanDerWaalsContact C-N 3.32Å; Y301-E303 PolarHBondContact O-N 3.25Å; Y301-I304 PolarHBondContact O-N 3.3Å; Y301-H305 HydrophobicContact CE2-CB 4.24Å; Y301-H305 VanDerWaalsContact O-CB 3.3Å; Y301-H305 WeakPolarHBondContact O-CB 3.34Å; Y301-H305 PolarHBondContact O-N 2.83Å; Y301-E359 HydrophobicContact CE2-CG 4.08Å; Y301-L362 HydrophobicContact CD2-CB 3.8Å; Y301-L362 HydrophobicContact CG-CB 4.37Å; Y301-E363 HydrophobicContact CD2-CB 4.33Å; Y301-E363 HydrophobicContact CE2-CB 3.55Å; Y301-E363 HydrophobicContact CE2-CG 4.26Å; Y301-E363 WeakPolarHBondContact OH-CG 3.05Å; Y301-E363 PolarHBondContact OH-OE1 3.33Å; Y301-V366 HydrophobicContact CD1-CB 4.48Å; Y301-V366 HydrophobicContact CD1-CG2 4.09Å; Y301-V366 HydrophobicContact CG-CG2 4.12Å
302L89.7Confident88.2Confident73 Ų7350.6 Ų50.638%0.38224%0.238SC..Hα-helixtrans-61.1-40.7-178.9-69171.9000111.8E298 R299 I304 H305 D306E298-L302 HydrophobicContact CG-CD1 4.14Å; E298-L302 WeakPolarHBondContact O-CG 3.38Å; E298-L302 PolarHBondContact O-N 3.33Å; R299-L302 PolarHBondContact O-N 2.93Å; L302-I304 PolarHBondContact O-N 3.15Å; L302-H305 PolarHBondContact O-N 3.44Å; L302-D306 WeakPolarHBondContact O-CB 3.17Å; L302-D306 PolarHBondContact O-N 3.43Å
303E90.9Very high87.9Confident43 Ų4341.2 Ų41.220%0.20121%0.214CC..Hα-helixtrans-62.1-42.2176.5-77-169.1-147.700112.8I286 R299 F300 Y301 V307I286-E303 HydrophobicContact CD1-CB 4.36Å; R299-E303 IonicContact CZ-OE1 3.73Å; R299-E303 VanDerWaalsContact CZ-OE1 3.3Å; R299-E303 IonicContact NE-OE1 3.59Å; R299-E303 PolarHBondContact NE-OE1 2.92Å; R299-E303 IonicContact NH2-OE1 2.72Å; R299-E303 PolarHBondContact NH2-OE1 3.03Å; R299-E303 PolarHBondContact O-N 3.06Å; F300-E303 PolarHBondContact O-N 3.42Å; Y301-E303 VanDerWaalsContact C-N 3.32Å; Y301-E303 PolarHBondContact O-N 3.25Å; E303-V307 WeakPolarHBondContact O-CG2 3.17Å; E303-V307 PolarHBondContact O-N 3.41Å
304I92.2Very high87.4Confident0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-65.6-49.9174.4-69.6170.4000109.9L283 I286 F300 Y301 L302 D306 V307 L308 V329 L362L283-I304 HydrophobicContact CD2-CG1 4.48Å; I286-I304 HydrophobicContact CD1-CG1 3.54Å; F300-I304 HydrophobicContact CD1-CD1 3.66Å; F300-I304 HydrophobicContact CE1-CD1 3.16Å; F300-I304 HydrophobicContact CE1-CG1 4.34Å; F300-I304 HydrophobicContact CE2-CD1 4.42Å; F300-I304 HydrophobicContact CG-CD1 4.46Å; F300-I304 HydrophobicContact CZ-CD1 3.6Å; F300-I304 WeakPolarHBondContact O-CG1 3.39Å; F300-I304 PolarHBondContact O-N 3.33Å; F300-I304 VanDerWaalsContact O-N 3.14Å; Y301-I304 PolarHBondContact O-N 3.3Å; L302-I304 PolarHBondContact O-N 3.15Å; I304-D306 VanDerWaalsContact C-N 3.31Å; I304-D306 PolarHBondContact O-N 3.43Å; I304-V307 PolarHBondContact O-N 3.47Å; I304-L308 HydrophobicContact CG2-CD1 3.52Å; I304-L308 HydrophobicContact CG2-CG 3.86Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.89Å; I304-V329 HydrophobicContact CD1-CG1 3.42Å; I304-V329 VanDerWaalsContact CD1-CG1 3.42Å; I304-V329 HydrophobicContact CG1-CG1 4.17Å; I304-L362 HydrophobicContact CD1-CD1 3.82Å
305H89.4Confident87Confident46 Ų4642.1 Ų42.121%0.21321%0.212CC..Hα-helixtrans-53.8-47.8-177.7-177.475.7000111.5Y301 L302 V307 L308 N309 E359Y301-H305 HydrophobicContact CE2-CB 4.24Å; Y301-H305 VanDerWaalsContact O-CB 3.3Å; Y301-H305 WeakPolarHBondContact O-CB 3.34Å; Y301-H305 PolarHBondContact O-N 2.83Å; L302-H305 PolarHBondContact O-N 3.44Å; H305-V307 VanDerWaalsContact C-N 3.3Å; H305-V307 PolarHBondContact O-N 2.84Å; H305-L308 PolarHBondContact O-N 2.66Å; H305-N309 PolarHBondContact CD2-ND2 3.19Å; H305-N309 PolarHBondContact NE2-ND2 3.39Å; H305-N309 WeakPolarHBondContact O-CB 3.23Å; H305-N309 PolarHBondContact O-N 2.82Å; H305-N309 PolarHBondContact O-ND2 3.42Å; H305-N309 PolarHBondContact O-OD1 2.84Å; H305-E359 WeakPolarHBondContact CA-OE1 3.15Å; H305-E359 IonicContact CE1-OE1 3.07Å; H305-E359 IonicContact CG-OE1 3.93Å; H305-E359 IonicContact ND1-OE1 3.74Å; H305-E359 PolarHBondContact ND1-OE1 3.28Å
306D84.8Confident86.7Confident78 Ų7839.3 Ų39.342%0.41719%0.192SC..Hα-helixtrans-58.3-41.4176.6-75.9-13.3000112.5L302 I304 V310L302-D306 WeakPolarHBondContact O-CB 3.17Å; L302-D306 PolarHBondContact O-N 3.43Å; I304-D306 VanDerWaalsContact C-N 3.31Å; I304-D306 PolarHBondContact O-N 3.43Å; D306-V310 WeakPolarHBondContact O-CG2 3.3Å; D306-V310 PolarHBondContact O-N 3.3Å
307V87.9Confident86.5Confident0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-70.5-42.3179.5-178.30000111.7F204 C279 K282 L283 E303 I304 H305 N309 V310 L311F204-V307 HydrophobicContact CE1-CB 4.21Å; F204-V307 HydrophobicContact CE1-CG1 4.3Å; F204-V307 HydrophobicContact CE1-CG2 3.75Å; F204-V307 HydrophobicContact CZ-CG1 4.5Å; F204-V307 HydrophobicContact CZ-CG2 3.96Å; C279-V307 HydrophobicContact CB-CG1 3.62Å; K282-V307 HydrophobicContact CB-CG2 4.05Å; K282-V307 HydrophobicContact CD-CG2 3.52Å; K282-V307 HydrophobicContact CG-CG2 3.73Å; L283-V307 HydrophobicContact CD1-CG1 4.01Å; L283-V307 HydrophobicContact CD2-CB 4.02Å; L283-V307 HydrophobicContact CD2-CG1 3.99Å; L283-V307 HydrophobicContact CD2-CG2 4.48Å; L283-V307 HydrophobicContact CG-CB 4.27Å; L283-V307 HydrophobicContact CG-CG1 3.7Å; E303-V307 WeakPolarHBondContact O-CG2 3.17Å; E303-V307 PolarHBondContact O-N 3.41Å; I304-V307 PolarHBondContact O-N 3.47Å; H305-V307 VanDerWaalsContact C-N 3.3Å; H305-V307 PolarHBondContact O-N 2.84Å; V307-N309 VanDerWaalsContact C-N 3.33Å; V307-V310 PolarHBondContact O-N 3.47Å; V307-L311 PolarHBondContact O-N 3.28Å; V307-L311 VanDerWaalsContact O-N 3.12Å
308L89.5Confident86.4Confident0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-68.1-33.8178.7-62.9-175.3000111.8I304 H305 V310 L311 R312 L320 I355 E359I304-L308 HydrophobicContact CG2-CD1 3.52Å; I304-L308 HydrophobicContact CG2-CG 3.86Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.89Å; H305-L308 PolarHBondContact O-N 2.66Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.85Å; L308-L311 HydrophobicContact CD2-CD1 4.28Å; L308-L311 PolarHBondContact O-N 2.86Å; L308-R312 WeakPolarHBondContact O-CB 3.02Å; L308-R312 WeakPolarHBondContact O-CG 3.11Å; L308-R312 PolarHBondContact O-N 3.32Å; L308-L320 HydrophobicContact CB-CD2 4.42Å; L308-L320 HydrophobicContact CD2-CD2 3.63Å; L308-I355 HydrophobicContact CD1-CG1 4.17Å; L308-I355 HydrophobicContact CD1-CG2 4.15Å; L308-I355 HydrophobicContact CD2-CD1 3.97Å; L308-I355 HydrophobicContact CD2-CG1 4.17Å; L308-I355 HydrophobicContact CD2-CG2 3.58Å; L308-E359 HydrophobicContact CD1-CB 3.72Å; L308-E359 HydrophobicContact CD1-CG 4.1Å; L308-E359 VanDerWaalsContact CD1-OE2 3.24Å; L308-E359 WeakPolarHBondContact CD1-OE2 3.5Å
309N82.7Confident86.2Confident37 Ų3746.3 Ų46.320%0.19824%0.236CC..Hα-helixtrans-58.2-45.8171.4-74.8-15.4000111.1H305 V307 L311 R312 A313H305-N309 PolarHBondContact CD2-ND2 3.19Å; H305-N309 PolarHBondContact NE2-ND2 3.39Å; H305-N309 WeakPolarHBondContact O-CB 3.23Å; H305-N309 PolarHBondContact O-N 2.82Å; H305-N309 PolarHBondContact O-ND2 3.42Å; H305-N309 PolarHBondContact O-OD1 2.84Å; V307-N309 VanDerWaalsContact C-N 3.33Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.15Å; N309-R312 PolarHBondContact O-N 2.78Å; N309-R312 VanDerWaalsContact OD1-CZ 3.29Å; N309-R312 PolarHBondContact OD1-NH1 3.45Å; N309-R312 PolarHBondContact OD1-NH2 3.24Å; N309-A313 WeakPolarHBondContact O-CB 3.4Å; N309-A313 PolarHBondContact O-N 3.04Å
310V80.3Confident86Confident20 Ų2042.5 Ų42.512%0.12122%0.221CC..Hα-helixtrans-62.9-40.9176.5175.70000111.6F204 I275 D306 V307 L308 R314F204-V310 HydrophobicContact CD1-CB 4.47Å; F204-V310 HydrophobicContact CD1-CG2 3.59Å; F204-V310 HydrophobicContact CE1-CB 4.24Å; F204-V310 HydrophobicContact CE1-CG2 3.85Å; I275-V310 HydrophobicContact CG2-CG1 3.93Å; D306-V310 WeakPolarHBondContact O-CG2 3.3Å; D306-V310 PolarHBondContact O-N 3.3Å; V307-V310 PolarHBondContact O-N 3.47Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.85Å; V310-R314 WeakPolarHBondContact O-CD 3.11Å; V310-R314 VanDerWaalsContact O-CG 3.26Å; V310-R314 WeakPolarHBondContact O-CG 3.47Å
311L85.2Confident85.9Confident1 Ų148.9 Ų48.91%0.00525%0.249CC..Hα-helixtrans-68.8-38.6177-69.7175.2000112.5C279 L283 V307 L308 N309 R314 D315 R316 E319 L320C279-L311 HydrophobicContact CB-CD1 4.3Å; C279-L311 HydrophobicContact CB-CD2 3.84Å; C279-L311 HydrophobicContact CB-CG 4.05Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; V307-L311 PolarHBondContact O-N 3.28Å; V307-L311 VanDerWaalsContact O-N 3.12Å; L308-L311 HydrophobicContact CD2-CD1 4.28Å; L308-L311 PolarHBondContact O-N 2.86Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.15Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 PolarHBondContact O-N 3.23Å; L311-D315 PolarHBondContact O-N 2.99Å; L311-R316 HydrophobicContact CB-CB 4.4Å; L311-R316 HydrophobicContact CD2-CB 4.09Å; L311-R316 HydrophobicContact CD2-CG 4.35Å; L311-R316 PolarHBondContact O-N 2.94Å; L311-E319 HydrophobicContact CD1-CB 4.28Å; L311-E319 HydrophobicContact CD2-CB 4.42Å; L311-L320 HydrophobicContact CB-CD2 3.87Å; L311-L320 HydrophobicContact CB-CG 4.23Å; L311-L320 HydrophobicContact CD1-CD2 4.12Å
312R84.1Confident85.9Confident62 Ų6249.7 Ų49.723%0.23426%0.257CS..Hα-helixtrans-66.3-45.6177.5-81.4-171-109.4110.710.3111.9L308 N309 R314 D315 L320 E359L308-R312 WeakPolarHBondContact O-CB 3.02Å; L308-R312 WeakPolarHBondContact O-CG 3.11Å; L308-R312 PolarHBondContact O-N 3.32Å; N309-R312 PolarHBondContact O-N 2.78Å; N309-R312 VanDerWaalsContact OD1-CZ 3.29Å; N309-R312 PolarHBondContact OD1-NH1 3.45Å; N309-R312 PolarHBondContact OD1-NH2 3.24Å; R312-R314 PolarHBondContact O-N 3.49Å; R312-D315 PolarHBondContact O-N 2.66Å; R312-L320 HydrophobicContact CG-CD1 3.65Å; R312-E359 IonicContact CZ-OE1 3.43Å; R312-E359 IonicContact CZ-OE2 2.77Å; R312-E359 IonicContact NE-OE2 3.66Å; R312-E359 IonicContact NH2-OE1 2.65Å; R312-E359 PolarHBondContact NH2-OE1 3.33Å; R312-E359 IonicContact NH2-OE2 2.74Å; R312-E359 PolarHBondContact NH2-OE2 3.01Å
313A72.7Confident86.1Confident49 Ų4949.3 Ų49.341%0.40526%0.264SS..THydrogen-bonded Turntrans-58.8-17.7174.900000113N309N309-A313 WeakPolarHBondContact O-CB 3.4Å; N309-A313 PolarHBondContact O-N 3.04Å
314R73.7Confident86.2Confident35 Ų3556.1 Ų56.113%0.13229%0.29CS..THydrogen-bonded Turntrans-108.79.6-178.3-66.2168.3-175.8-87.5-15113.8N243 V310 L311 R312 R316N243-R314 PolarHBondContact ND2-NH1 2.91Å; N243-R314 PolarHBondContact OD1-NH1 2.63Å; V310-R314 WeakPolarHBondContact O-CD 3.11Å; V310-R314 VanDerWaalsContact O-CG 3.26Å; V310-R314 WeakPolarHBondContact O-CG 3.47Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 PolarHBondContact O-N 3.23Å; R312-R314 PolarHBondContact O-N 3.49Å; R314-R316 HydrophobicContact CB-CG 3.85Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-R316 PolarHBondContact O-NE 2.64Å
315D78.4Confident86.2Confident129 Ų12956.6 Ų56.669%0.6929%0.292SS*.THydrogen-bonded Turntrans52.436.6-178.4-159.126.2000113.6L311 R312 V317L311-D315 PolarHBondContact O-N 2.99Å; R312-D315 PolarHBondContact O-N 2.66Å; D315-V317 PolarHBondContact O-N 3.04Å; D315-V317 WeakPolarHBondContact OD1-CG2 3.37Å
316R83.5Confident86.5Confident79 Ų7955 Ų5530%0.29829%0.286SS..  trans-84.461.2-178.8-57.8-58.8156.4179.7-7.5112.1I272 I276 L311 R314 V318 E319 L320I272-R316 VanDerWaalsContact CG2-NH2 3.28Å; I276-R316 HydrophobicContact CD1-CG 4.2Å; I276-R316 HydrophobicContact CG1-CG 4.16Å; L311-R316 HydrophobicContact CB-CB 4.4Å; L311-R316 HydrophobicContact CD2-CB 4.09Å; L311-R316 HydrophobicContact CD2-CG 4.35Å; L311-R316 PolarHBondContact O-N 2.94Å; R314-R316 HydrophobicContact CB-CG 3.85Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-R316 PolarHBondContact O-NE 2.64Å; R316-V318 PolarHBondContact O-N 3.01Å; R316-E319 HydrophobicContact CB-CB 4.37Å; R316-E319 HydrophobicContact CB-CG 4.22Å; R316-E319 PolarHBondContact O-N 2.69Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 2.73Å; R316-L320 VanDerWaalsContact O-N 3.17Å
317V86.4Confident86.9Confident53 Ų5356.7 Ų56.732%0.32129%0.291SS..Hα-helixtrans-58.1-35.1-178.1-176.80000112.4D315 L320 K321D315-V317 PolarHBondContact O-N 3.04Å; D315-V317 WeakPolarHBondContact OD1-CG2 3.37Å; V317-L320 PolarHBondContact O-N 3.12Å; V317-K321 HydrophobicContact CG1-CD 3.83Å; V317-K321 HydrophobicContact CG1-CG 4.23Å; V317-K321 WeakPolarHBondContact O-CB 3.42Å; V317-K321 WeakPolarHBondContact O-CG 3.16Å; V317-K321 PolarHBondContact O-N 2.85Å
318V89.8Confident87.2Confident120 Ų12058 Ų5873%0.72730%0.301SS*.Hα-helixtrans-61.3-49.5178.7-179.20000111.1R316 L320 K321 S322R316-V318 PolarHBondContact O-N 3.01Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.01Å; V318-K321 CarbonylContact O-C 3.57Å; V318-K321 PolarHBondContact O-N 3.45Å; V318-K321 VanDerWaalsContact O-N 3.15Å; V318-S322 PolarHBondContact O-N 3.35Å; V318-S322 VanDerWaalsContact O-N 3.09Å
319E88.7Confident87.5Confident46 Ų4658 Ų5822%0.21530%0.301CS..Hα-helixtrans-65-36.6179.1-57.1-57.5157.800111.7I276 L311 R316 K321 S322I276-E319 HydrophobicContact CG2-CG 3.84Å; L311-E319 HydrophobicContact CD1-CB 4.28Å; L311-E319 HydrophobicContact CD2-CB 4.42Å; R316-E319 HydrophobicContact CB-CB 4.37Å; R316-E319 HydrophobicContact CB-CG 4.22Å; R316-E319 PolarHBondContact O-N 2.69Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 2.77Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 2.91Å
320L89.7Confident88.1Confident2 Ų257 Ų571%0.0130%0.297CS..Hα-helixtrans-71-21177.5-63.3170.7000113.2L308 L311 R312 R316 V317 V318 I355L308-L320 HydrophobicContact CB-CD2 4.42Å; L308-L320 HydrophobicContact CD2-CD2 3.63Å; L311-L320 HydrophobicContact CB-CD2 3.87Å; L311-L320 HydrophobicContact CB-CG 4.23Å; L311-L320 HydrophobicContact CD1-CD2 4.12Å; R312-L320 HydrophobicContact CG-CD1 3.65Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 2.73Å; R316-L320 VanDerWaalsContact O-N 3.17Å; V317-L320 PolarHBondContact O-N 3.12Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.01Å; L320-I355 HydrophobicContact CD2-CG2 4.23Å; L320-I355 WeakPolarHBondContact O-CG2 3.33Å
321K92.3Very high88.8Confident138 Ų13861 Ų6160%0.632%0.316SS*.THydrogen-bonded Turntrans-101.40.7176.7-69.6-176.5178.2-178.60113V317 V318 E319 A323 T354V317-K321 HydrophobicContact CG1-CD 3.83Å; V317-K321 HydrophobicContact CG1-CG 4.23Å; V317-K321 WeakPolarHBondContact O-CB 3.42Å; V317-K321 WeakPolarHBondContact O-CG 3.16Å; V317-K321 PolarHBondContact O-N 2.85Å; V318-K321 CarbonylContact O-C 3.57Å; V318-K321 PolarHBondContact O-N 3.45Å; V318-K321 VanDerWaalsContact O-N 3.15Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 2.77Å; K321-A323 PolarHBondContact O-N 2.74Å; K321-A323 VanDerWaalsContact O-N 3.17Å; K321-T354 HydrophobicContact CG-CG2 4.2Å
322S92.6Very high89.3Confident33 Ų3363.2 Ų63.223%0.23133%0.326CS..  trans-66.8113.7-178.1174.90000111.5V318 E319 Y324 T325 L326V318-S322 PolarHBondContact O-N 3.35Å; V318-S322 VanDerWaalsContact O-N 3.09Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 2.91Å; S322-Y324 PolarHBondContact O-N 2.75Å; S322-T325 VanDerWaalsContact CB-OG1 3.32Å; S322-T325 WeakPolarHBondContact CB-OG1 3.14Å; S322-T325 PolarHBondContact O-N 2.67Å; S322-T325 PolarHBondContact OG-N 2.99Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; S322-T325 VanDerWaalsContact OG-OG1 3.05Å; S322-L326 PolarHBondContact O-N 3.13Å
323A93.2Very high89.8Confident64 Ų6460.6 Ų60.653%0.52932%0.317SS..Hα-helixtrans-60.8-33.7173.600000112K321 L326 H327K321-A323 PolarHBondContact O-N 2.74Å; K321-A323 VanDerWaalsContact O-N 3.17Å; A323-L326 PolarHBondContact O-N 3.42Å; A323-H327 WeakPolarHBondContact O-CB 3.1Å; A323-H327 PolarHBondContact O-N 2.65Å
324Y93Very high90.8Very high187 Ų18759.4 Ų59.473%0.73330%0.304SS*.Hα-helixtrans-64.5-46.6175.7178.6-94.6000111.5S322 L326 H327 A328S322-Y324 PolarHBondContact O-N 2.75Å; Y324-L326 VanDerWaalsContact C-N 3.34Å; Y324-L326 PolarHBondContact O-N 3.43Å; Y324-H327 PolarHBondContact O-N 3.07Å; Y324-A328 WeakPolarHBondContact O-CB 3.49Å; Y324-A328 PolarHBondContact O-N 3.3Å
325T92.4Very high91.8Very high10 Ų1066.3 Ų66.36%0.06133%0.332CS..Hα-helixtrans-63.8-42.7178.6-53.40000110.7L280 L283 S322 A328 V329 I355L280-T325 HydrophobicContact CD2-CG2 4.12Å; L283-T325 HydrophobicContact CD1-CG2 3.63Å; S322-T325 VanDerWaalsContact CB-OG1 3.32Å; S322-T325 WeakPolarHBondContact CB-OG1 3.14Å; S322-T325 PolarHBondContact O-N 2.67Å; S322-T325 PolarHBondContact OG-N 2.99Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; S322-T325 VanDerWaalsContact OG-OG1 3.05Å; T325-A328 PolarHBondContact O-N 3.02Å; T325-V329 WeakPolarHBondContact O-CG2 3.36Å; T325-V329 PolarHBondContact O-N 2.76Å; T325-V329 VanDerWaalsContact O-N 3.15Å; T325-I355 HydrophobicContact CG2-CD1 3.91Å
326L95.4Very high92.5Very high13 Ų1365.6 Ų65.67%0.06832%0.324CS..Hα-helixtrans-57.6-51.3172.9171.762.9000111.1S322 A323 Y324 A328 V329 V330 W341 P353 L358S322-L326 PolarHBondContact O-N 3.13Å; A323-L326 PolarHBondContact O-N 3.42Å; Y324-L326 VanDerWaalsContact C-N 3.34Å; Y324-L326 PolarHBondContact O-N 3.43Å; L326-A328 PolarHBondContact O-N 3.17Å; L326-V329 PolarHBondContact O-N 3.35Å; L326-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 HydrophobicContact CG-CG2 4.21Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.32Å; L326-W341 HydrophobicContact CD1-CZ2 3.93Å; L326-W341 HydrophobicContact CD2-CZ2 4.32Å; L326-P353 HydrophobicContact CD2-CB 4.02Å; L326-P353 HydrophobicContact CD2-CG 3.96Å; L326-P353 VanDerWaalsContact CD2-O 3.28Å; L326-P353 WeakPolarHBondContact CD2-O 3.43Å; L326-L358 HydrophobicContact CD1-CB 3.8Å; L326-L358 HydrophobicContact CD1-CD2 3.92Å; L326-L358 HydrophobicContact CD1-CG 4.39Å
327H94.4Very high93Very high113 Ų11362.4 Ų62.452%0.52331%0.313SS..Hα-helixtrans-59.4-45.6-178.7-175.267.6000111.9A323 Y324 V329 V330 L331A323-H327 WeakPolarHBondContact O-CB 3.1Å; A323-H327 PolarHBondContact O-N 2.65Å; Y324-H327 PolarHBondContact O-N 3.07Å; H327-V329 VanDerWaalsContact C-N 3.27Å; H327-V329 PolarHBondContact O-N 2.79Å; H327-V330 PolarHBondContact O-N 3.26Å; H327-L331 WeakPolarHBondContact O-CG 3.3Å; H327-L331 PolarHBondContact O-N 3Å; H327-L331 VanDerWaalsContact O-N 3.1Å
328A93.8Very high93.5Very high26 Ų2662.6 Ų62.622%0.21531%0.31CS..Hα-helixtrans-58.7-37.8178.300000112.7Y324 T325 L326Y324-A328 WeakPolarHBondContact O-CB 3.49Å; Y324-A328 PolarHBondContact O-N 3.3Å; T325-A328 PolarHBondContact O-N 3.02Å; L326-A328 PolarHBondContact O-N 3.17Å
329V95.3Very high93.7Very high1 Ų163.9 Ų63.91%0.00630%0.302CS..Hα-helixtrans-77.4-39.4178176.60000111.7L283 F300 I304 T325 L326 H327 L331 K332 I355 L358L283-V329 HydrophobicContact CB-CG2 4.14Å; L283-V329 HydrophobicContact CD2-CG2 4.23Å; F300-V329 HydrophobicContact CE1-CG1 4.32Å; F300-V329 HydrophobicContact CZ-CG1 3.9Å; I304-V329 HydrophobicContact CD1-CG1 3.42Å; I304-V329 VanDerWaalsContact CD1-CG1 3.42Å; I304-V329 HydrophobicContact CG1-CG1 4.17Å; T325-V329 WeakPolarHBondContact O-CG2 3.36Å; T325-V329 PolarHBondContact O-N 2.76Å; T325-V329 VanDerWaalsContact O-N 3.15Å; L326-V329 PolarHBondContact O-N 3.35Å; H327-V329 VanDerWaalsContact C-N 3.27Å; H327-V329 PolarHBondContact O-N 2.79Å; V329-L331 PolarHBondContact O-N 2.58Å; V329-K332 VanDerWaalsContact O-CB 3.26Å; V329-K332 WeakPolarHBondContact O-CB 3.28Å; V329-K332 PolarHBondContact O-N 2.73Å; V329-I355 HydrophobicContact CB-CD1 4.46Å; V329-I355 HydrophobicContact CG2-CD1 3.91Å; V329-L358 HydrophobicContact CB-CD2 4.3Å; V329-L358 HydrophobicContact CG1-CD2 3.68Å
330V95.7Very high94Very high17 Ų1766.3 Ų66.310%0.10331%0.312CS..Hα-helixtrans-60-35.7177169.20000111.6L326 H327 K332 L333 Q338 L358L326-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 HydrophobicContact CG-CG2 4.21Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.32Å; H327-V330 PolarHBondContact O-N 3.26Å; V330-K332 PolarHBondContact O-N 2.79Å; V330-K332 VanDerWaalsContact O-N 3.15Å; V330-L333 HydrophobicContact CG1-CD1 4.49Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.26Å; V330-L333 PolarHBondContact O-N 3.05Å; V330-Q338 HydrophobicContact CG1-CG 4.29Å; V330-Q338 PolarHBondContact O-NE2 2.97Å; V330-L358 HydrophobicContact CG2-CD1 4.36Å; V330-L358 HydrophobicContact CG2-CD2 4.05Å
331L95.2Very high94.3Very high102 Ų10266.8 Ų66.853%0.53431%0.313SS..THydrogen-bonded Turntrans-63-17.6175.6-70.4176.3000113.7H327 V329H327-L331 WeakPolarHBondContact O-CG 3.3Å; H327-L331 PolarHBondContact O-N 3Å; H327-L331 VanDerWaalsContact O-N 3.1Å; V329-L331 PolarHBondContact O-N 2.58Å
332K94.7Very high94.4Very high48 Ų4863 Ų6321%0.20931%0.308CS..THydrogen-bonded Turntrans-82.9-13.6175-54.9-66.5-175.2148.10113S284 I286 P288 V289 F300 V329 V330S284-K332 WeakPolarHBondContact O-CE 3.32Å; S284-K332 PolarHBondContact O-NZ 3.49Å; I286-K332 WeakPolarHBondContact O-CD 3.49Å; I286-K332 PolarHBondContact O-NZ 3.16Å; I286-K332 VanDerWaalsContact O-NZ 3.15Å; P288-K332 CarbonylContact C-O 3.55Å; P288-K332 VanDerWaalsContact CA-O 3.28Å; P288-K332 WeakPolarHBondContact CA-O 3.25Å; P288-K332 HydrophobicContact CG-CD 4.04Å; V289-K332 PolarHBondContact N-O 3.31Å; F300-K332 HydrophobicContact CE2-CB 3.58Å; F300-K332 HydrophobicContact CE2-CG 4.46Å; F300-K332 HydrophobicContact CZ-CB 3.77Å; V329-K332 VanDerWaalsContact O-CB 3.26Å; V329-K332 WeakPolarHBondContact O-CB 3.28Å; V329-K332 PolarHBondContact O-N 2.73Å; V330-K332 PolarHBondContact O-N 2.79Å; V330-K332 VanDerWaalsContact O-N 3.15Å
333L94.7Very high94.5Very high8 Ų868.7 Ų68.74%0.04232%0.324CS..SBendtrans-73.8152.3174.5-60.4176.1000110.8V289 F300 V330 L337 Q338 L358 W361 L362V289-L333 HydrophobicContact CG2-CD2 4.11Å; F300-L333 HydrophobicContact CD1-CD2 3.98Å; F300-L333 HydrophobicContact CE1-CD2 3.41Å; F300-L333 VanDerWaalsContact CE1-CD2 3.41Å; F300-L333 HydrophobicContact CE1-CG 4.36Å; F300-L333 HydrophobicContact CZ-CD2 4.01Å; V330-L333 HydrophobicContact CG1-CD1 4.49Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.26Å; V330-L333 PolarHBondContact O-N 3.05Å; L333-L337 HydrophobicContact CB-CB 3.99Å; L333-L337 HydrophobicContact CD1-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD1 4.32Å; L333-Q338 HydrophobicContact CB-CG 3.85Å; L333-Q338 PolarHBondContact O-NE2 2.96Å; L333-L358 HydrophobicContact CD1-CD1 4.08Å; L333-W361 HydrophobicContact CD1-CH2 4.5Å; L333-W361 HydrophobicContact CD1-CZ3 4.05Å; L333-L362 HydrophobicContact CD2-CD2 4.23Å
334T94.6Very high94.6Very high23 Ų2370 Ų7014%0.14132%0.315CS..  trans-62.1152.916864.40000110.9V289 V291 H336 L337 Q338V289-T334 HydrophobicContact CB-CG2 4.18Å; V289-T334 HydrophobicContact CG1-CG2 4.15Å; V289-T334 WeakPolarHBondContact O-CG2 3.32Å; V291-T334 HydrophobicContact CG2-CG2 4.24Å; T334-H336 PolarHBondContact O-N 2.77Å; T334-H336 VanDerWaalsContact O-N 3.12Å; T334-L337 CarbonylContact O-C 3.46Å; T334-L337 WeakPolarHBondContact O-CA 3.43Å; T334-L337 PolarHBondContact O-N 2.51Å; T334-L337 WeakPolarHBondContact OG1-CG 3.36Å; T334-L337 PolarHBondContact OG1-N 2.96Å; T334-Q338 WeakPolarHBondContact O-CG 3.32Å; T334-Q338 PolarHBondContact O-N 2.82Å
335Y93.7Very high94.7Very high180 Ų18062.9 Ų62.971%0.70629%0.291SS*.Hα-helixtrans-52.7-37.2178178.9-107.1000113.5Q338 R339Y335-Q338 PolarHBondContact O-N 3.22Å; Y335-R339 PolarHBondContact O-N 3.15Å
336H92.9Very high94.7Very high115 Ų11569 Ų6953%0.53232%0.317SS..Hα-helixtrans-62-45.1175.5-179.660.7000112.4T334 R339 K340T334-H336 PolarHBondContact O-N 2.77Å; T334-H336 VanDerWaalsContact O-N 3.12Å; H336-R339 PolarHBondContact O-N 3.04Å; H336-K340 WeakPolarHBondContact NE2-CE 3.27Å; H336-K340 PolarHBondContact O-N 3.29Å; H336-K340 VanDerWaalsContact O-N 3.09Å
337L94.7Very high94.5Very high12 Ų1274 Ų746%0.06334%0.341CS..Hα-helixtrans-68.8-39.1176.1-71.6174.3000111.5V289 V297 L333 T334 R339 K340 W341 W361 I365V289-L337 HydrophobicContact CG1-CD1 4.03Å; V297-L337 HydrophobicContact CG2-CD1 3.98Å; L333-L337 HydrophobicContact CB-CB 3.99Å; L333-L337 HydrophobicContact CD1-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD1 4.32Å; T334-L337 CarbonylContact O-C 3.46Å; T334-L337 WeakPolarHBondContact O-CA 3.43Å; T334-L337 PolarHBondContact O-N 2.51Å; T334-L337 WeakPolarHBondContact OG1-CG 3.36Å; T334-L337 PolarHBondContact OG1-N 2.96Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.78Å; L337-K340 PolarHBondContact O-N 3.01Å; L337-W341 WeakPolarHBondContact O-CB 3.4Å; L337-W341 PolarHBondContact O-N 3.01Å; L337-W361 HydrophobicContact CB-CH2 4.22Å; L337-W361 HydrophobicContact CD2-CH2 4.11Å; L337-W361 WeakPolarHBondContact O-CH2 3.22Å; L337-I365 HydrophobicContact CD2-CD1 4.2Å
338Q95.9Very high94.4Very high56 Ų5670 Ų7026%0.26232%0.323SS..Hα-helixtrans-58.9-41.7173.5-66.817912.600111.6V330 L333 T334 Y335 W341 A342V330-Q338 HydrophobicContact CG1-CG 4.29Å; V330-Q338 PolarHBondContact O-NE2 2.97Å; L333-Q338 HydrophobicContact CB-CG 3.85Å; L333-Q338 PolarHBondContact O-NE2 2.96Å; T334-Q338 WeakPolarHBondContact O-CG 3.32Å; T334-Q338 PolarHBondContact O-N 2.82Å; Y335-Q338 PolarHBondContact O-N 3.22Å; Q338-W341 PolarHBondContact O-N 2.91Å; Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 2.97Å
339R94.6Very high94.2Very high148 Ų14875.8 Ų75.856%0.55834%0.339SS*.Hα-helixtrans-65.7-40.3176.1-172.2178.7-179.3-170.22112.3Y335 H336 L337 A342 R343Y335-R339 PolarHBondContact O-N 3.15Å; H336-R339 PolarHBondContact O-N 3.04Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.78Å; R339-A342 PolarHBondContact O-N 3.36Å; R339-R343 PolarHBondContact O-N 3.38Å
340K94.7Very high93.9Very high96 Ų9682.5 Ų82.542%0.41738%0.383SS..Hα-helixtrans-66.1-42.5174.3-73.5-175.1171.4-173.80111.3H336 L337 A342 R343 R344 W361H336-K340 WeakPolarHBondContact NE2-CE 3.27Å; H336-K340 PolarHBondContact O-N 3.29Å; H336-K340 VanDerWaalsContact O-N 3.09Å; L337-K340 PolarHBondContact O-N 3.01Å; K340-A342 VanDerWaalsContact C-N 3.34Å; K340-A342 PolarHBondContact O-N 3.38Å; K340-R343 WeakPolarHBondContact O-CB 3.45Å; K340-R343 PolarHBondContact O-N 3.39Å; K340-R344 PolarHBondContact O-N 3.26Å; K340-R344 VanDerWaalsContact O-N 3.08Å; K340-W361 HydrophobicContact CB-CH2 4.46Å; K340-W361 HydrophobicContact CB-CZ2 3.71Å
341W96.2Very high93.7Very high13 Ų1388.4 Ų88.45%0.04940%0.403CS..Hα-helixtrans-59.8-42.9174.6174.4-116.2000111.6L326 L337 Q338 R343 R344 V345 I348 P353 D357 L358 W361L326-W341 HydrophobicContact CD1-CZ2 3.93Å; L326-W341 HydrophobicContact CD2-CZ2 4.32Å; L337-W341 WeakPolarHBondContact O-CB 3.4Å; L337-W341 PolarHBondContact O-N 3.01Å; Q338-W341 PolarHBondContact O-N 2.91Å; W341-R343 VanDerWaalsContact C-N 3.26Å; W341-R343 PolarHBondContact O-N 3.41Å; W341-R344 HydrophobicContact CE3-CB 4.06Å; W341-R344 HydrophobicContact CE3-CG 4.19Å; W341-R344 HydrophobicContact CZ3-CB 4.33Å; W341-R344 HydrophobicContact CZ3-CG 3.98Å; W341-R344 CarbonylContact O-C 3.6Å; W341-R344 WeakPolarHBondContact O-CA 3.36Å; W341-R344 WeakPolarHBondContact O-CB 3.41Å; W341-R344 PolarHBondContact O-N 2.76Å; W341-V345 HydrophobicContact CD2-CG2 3.97Å; W341-V345 VanDerWaalsContact CE2-CG2 3.42Å; W341-V345 HydrophobicContact CG-CG2 4.36Å; W341-V345 HydrophobicContact CH2-CG2 4.29Å; W341-V345 HydrophobicContact CZ2-CG2 3.62Å; W341-V345 WeakPolarHBondContact O-CG2 3.3Å; W341-V345 PolarHBondContact O-N 3.14Å; W341-I348 HydrophobicContact CH2-CD1 4.31Å; W341-P353 HydrophobicContact CH2-CB 4.45Å; W341-P353 HydrophobicContact CZ2-CB 4.1Å; W341-D357 HydrophobicContact CH2-CB 3.97Å; W341-L358 HydrophobicContact CD2-CD1 3.72Å; W341-L358 HydrophobicContact CE3-CD1 3.75Å; W341-L358 HydrophobicContact CG-CD1 4.26Å; W341-L358 HydrophobicContact CH2-CB 3.85Å; W341-L358 HydrophobicContact CH2-CD1 4.29Å; W341-L358 HydrophobicContact CZ2-CB 4.06Å; W341-L358 HydrophobicContact CZ2-CD1 4.25Å; W341-L358 HydrophobicContact CZ3-CB 4.2Å; W341-L358 HydrophobicContact CZ3-CD1 4.05Å; W341-W361 HydrophobicContact CB-CH2 3.87Å; W341-W361 HydrophobicContact CB-CZ2 4.14Å; W341-W361 HydrophobicContact CB-CZ3 4.12Å; W341-W361 HydrophobicContact CD2-CE3 4.5Å; W341-W361 HydrophobicContact CE3-CB 4.22Å; W341-W361 AromaticContact CE3-CD2 3.7Å; W341-W361 HydrophobicContact CE3-CD2 3.7Å; W341-W361 AromaticContact CE3-CE3 3.73Å; W341-W361 HydrophobicContact CE3-CE3 3.73Å; W341-W361 AromaticContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CZ3 4.34Å; W341-W361 HydrophobicContact CZ3-CB 3.87Å; W341-W361 HydrophobicContact CZ3-CD2 4.27Å; W341-W361 HydrophobicContact CZ3-CE3 4.39Å; W341-W361 HydrophobicContact CZ3-CG 4.07Å
342A94.9Very high93.5Very high59 Ų5990.7 Ų90.749%0.48841%0.411SS..Hα-helixtrans-59.2-36.2176.100000112.8Q338 R339 K340 V345 F346Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 2.97Å; R339-A342 PolarHBondContact O-N 3.36Å; K340-A342 VanDerWaalsContact C-N 3.34Å; K340-A342 PolarHBondContact O-N 3.38Å; A342-V345 PolarHBondContact O-N 2.83Å; A342-F346 PolarHBondContact O-N 3.46Å; A342-F346 VanDerWaalsContact O-N 3.14Å
343R95.3Very high93.5Very high152 Ų15290 Ų9057%0.57441%0.411SS*.Hα-helixtrans-65.7-43.9171.7-61.8-179.1-163.7-149.13.9111.2R339 K340 W341 V345 F346 E347R339-R343 PolarHBondContact O-N 3.38Å; K340-R343 WeakPolarHBondContact O-CB 3.45Å; K340-R343 PolarHBondContact O-N 3.39Å; W341-R343 VanDerWaalsContact C-N 3.26Å; W341-R343 PolarHBondContact O-N 3.41Å; R343-V345 VanDerWaalsContact C-N 3.32Å; R343-V345 PolarHBondContact O-N 2.69Å; R343-F346 VanDerWaalsContact O-CB 3.29Å; R343-F346 WeakPolarHBondContact O-CB 3.44Å; R343-F346 PolarHBondContact O-N 2.88Å; R343-F346 VanDerWaalsContact O-N 3.11Å; R343-E347 PolarHBondContact O-N 3.27Å
344R94Very high93.5Very high90 Ų9090.6 Ų90.634%0.3442%0.416SS..Hα-helixtrans-61.3-40.6176.3-173.757170.3175.8-1.2112.3K340 W341 F346 E347 I348 W361K340-R344 PolarHBondContact O-N 3.26Å; K340-R344 VanDerWaalsContact O-N 3.08Å; W341-R344 HydrophobicContact CE3-CB 4.06Å; W341-R344 HydrophobicContact CE3-CG 4.19Å; W341-R344 HydrophobicContact CZ3-CB 4.33Å; W341-R344 HydrophobicContact CZ3-CG 3.98Å; W341-R344 CarbonylContact O-C 3.6Å; W341-R344 WeakPolarHBondContact O-CA 3.36Å; W341-R344 WeakPolarHBondContact O-CB 3.41Å; W341-R344 PolarHBondContact O-N 2.76Å; R344-F346 VanDerWaalsContact C-N 3.27Å; R344-F346 PolarHBondContact O-N 3.44Å; R344-E347 VanDerWaalsContact CD-OE2 3.25Å; R344-E347 WeakPolarHBondContact CD-OE2 3.46Å; R344-E347 IonicContact CZ-OE2 3.81Å; R344-E347 IonicContact NE-OE2 3.62Å; R344-E347 IonicContact NH1-OE2 2.63Å; R344-E347 PolarHBondContact NH1-OE2 3.38Å; R344-E347 WeakPolarHBondContact O-CB 3.34Å; R344-E347 PolarHBondContact O-N 3.43Å; R344-E347 VanDerWaalsContact O-N 3.13Å; R344-I348 HydrophobicContact CG-CD1 4.2Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 3.34Å; R344-W361 HydrophobicContact CG-CB 4.4Å; R344-W361 HydrophobicContact CG-CG 4.1Å
345V94.6Very high93.6Very high38 Ų3889.5 Ų89.523%0.2341%0.409CS..Hα-helixtrans-60.1-38.8174.3170.50000111.3W341 A342 R343 E347 I348 P353W341-V345 HydrophobicContact CD2-CG2 3.97Å; W341-V345 VanDerWaalsContact CE2-CG2 3.42Å; W341-V345 HydrophobicContact CG-CG2 4.36Å; W341-V345 HydrophobicContact CH2-CG2 4.29Å; W341-V345 HydrophobicContact CZ2-CG2 3.62Å; W341-V345 WeakPolarHBondContact O-CG2 3.3Å; W341-V345 PolarHBondContact O-N 3.14Å; A342-V345 PolarHBondContact O-N 2.83Å; R343-V345 VanDerWaalsContact C-N 3.32Å; R343-V345 PolarHBondContact O-N 2.69Å; V345-E347 VanDerWaalsContact C-N 3.27Å; V345-E347 PolarHBondContact O-N 3.16Å; V345-I348 PolarHBondContact O-N 3.26Å; V345-P353 HydrophobicContact CG1-CG 3.94Å; V345-P353 HydrophobicContact CG2-CB 4.15Å; V345-P353 HydrophobicContact CG2-CG 4.13Å
346F92.7Very high93.5Very high138 Ų13884.6 Ų84.661%0.60539%0.391SS*.Hα-helixtrans-61.3-36.6176-173-85.7000112.4A342 R343 R344 R349A342-F346 PolarHBondContact O-N 3.46Å; A342-F346 VanDerWaalsContact O-N 3.14Å; R343-F346 VanDerWaalsContact O-CB 3.29Å; R343-F346 WeakPolarHBondContact O-CB 3.44Å; R343-F346 PolarHBondContact O-N 2.88Å; R343-F346 VanDerWaalsContact O-N 3.11Å; R344-F346 VanDerWaalsContact C-N 3.27Å; R344-F346 PolarHBondContact O-N 3.44Å; F346-R349 PolarHBondContact O-NE 3.14Å
347E93Very high93.7Very high120 Ų12080 Ų8056%0.56137%0.37SS*.Hα-helixtrans-72.5-27177.4-63.4166.6-171.200113.5R343 R344 V345 R349R343-E347 PolarHBondContact O-N 3.27Å; R344-E347 VanDerWaalsContact CD-OE2 3.25Å; R344-E347 WeakPolarHBondContact CD-OE2 3.46Å; R344-E347 IonicContact CZ-OE2 3.81Å; R344-E347 IonicContact NE-OE2 3.62Å; R344-E347 IonicContact NH1-OE2 2.63Å; R344-E347 PolarHBondContact NH1-OE2 3.38Å; R344-E347 WeakPolarHBondContact O-CB 3.34Å; R344-E347 PolarHBondContact O-N 3.43Å; R344-E347 VanDerWaalsContact O-N 3.13Å; V345-E347 VanDerWaalsContact C-N 3.27Å; V345-E347 PolarHBondContact O-N 3.16Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.72Å
348I92.2Very high93.8Very high29 Ų2979.4 Ų79.415%0.14937%0.367CS..Hα-helixtrans-76.2-17-179-68.2164.5000112.4W341 R344 V345 R351 P353 D357W341-I348 HydrophobicContact CH2-CD1 4.31Å; R344-I348 HydrophobicContact CG-CD1 4.2Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 3.34Å; V345-I348 PolarHBondContact O-N 3.26Å; I348-R351 HydrophobicContact CG2-CB 4.38Å; I348-R351 PolarHBondContact O-N 2.78Å; I348-P353 HydrophobicContact CD1-CB 4.33Å; I348-D357 HydrophobicContact CD1-CB 3.87Å
349R87.6Confident93.7Very high147 Ų14777.2 Ų77.256%0.55536%0.357SS*.THydrogen-bonded Turntrans-60.6144.2-177.9-68.4-171.8-58.1147.710.7111.4F346 E347F346-R349 PolarHBondContact O-NE 3.14Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.72Å
350P90.2Very high93.7Very high141 Ų14175.8 Ų75.892%0.91636%0.357SS*.THydrogen-bonded Turncis-87.2-0.716.534.2-36.9000115.6
351R92Very high93.8Very high141 Ų14172.1 Ų72.153%0.53234%0.34SS..SBendtrans-75.4147.1-178-164.2-171.974-164.3-0.5111.3I348 D357I348-R351 HydrophobicContact CG2-CB 4.38Å; I348-R351 PolarHBondContact O-N 2.78Å; R351-D357 IonicContact CZ-OD1 3.46Å; R351-D357 IonicContact CZ-OD2 3.81Å; R351-D357 IonicContact NH2-OD1 2.73Å; R351-D357 PolarHBondContact NH2-OD1 3.3Å; R351-D357 IonicContact NH2-OD2 2.74Å; R351-D357 PolarHBondContact NH2-OD2 2.97Å
352E91.2Very high93.8Very high150 Ų15071.5 Ų71.570%0.70134%0.338SS*.PPolyproline II helixtrans-66.2134.4168.7-67.9-178.1173.800110.9
353P94.4Very high93.7Very high33 Ų3372.4 Ų72.421%0.21433%0.332CS..PPolyproline II helixtrans-70.3143.717431.8-36.4000110.3L326 W341 V345 I348L326-P353 HydrophobicContact CD2-CB 4.02Å; L326-P353 HydrophobicContact CD2-CG 3.96Å; L326-P353 VanDerWaalsContact CD2-O 3.28Å; L326-P353 WeakPolarHBondContact CD2-O 3.43Å; W341-P353 HydrophobicContact CH2-CB 4.45Å; W341-P353 HydrophobicContact CZ2-CB 4.1Å; V345-P353 HydrophobicContact CG1-CG 3.94Å; V345-P353 HydrophobicContact CG2-CB 4.15Å; V345-P353 HydrophobicContact CG2-CG 4.13Å; I348-P353 HydrophobicContact CD1-CB 4.33Å
354T94.8Very high93.7Very high22 Ų2270.1 Ų70.114%0.13533%0.328CS..  trans-117.5168179.263.80000110.8K321 K356 D357 L358K321-T354 HydrophobicContact CG-CG2 4.2Å; T354-K356 PolarHBondContact O-N 3.08Å; T354-D357 PolarHBondContact N-OD2 2.94Å; T354-D357 WeakPolarHBondContact O-CB 3.14Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 PolarHBondContact OG1-N 3.12Å; T354-D357 PolarHBondContact OG1-OD2 3.19Å; T354-L358 PolarHBondContact O-N 2.91Å
355I95Very high93.6Very high0 Ų067 Ų670%032%0.318CS..Hα-helixtrans-63.4-24.6175-160.6165.7000112.3L283 L308 L320 T325 V329 D357 L358 E359L283-I355 HydrophobicContact CD1-CD1 4.11Å; L283-I355 HydrophobicContact CD2-CD1 4.22Å; L308-I355 HydrophobicContact CD1-CG1 4.17Å; L308-I355 HydrophobicContact CD1-CG2 4.15Å; L308-I355 HydrophobicContact CD2-CD1 3.97Å; L308-I355 HydrophobicContact CD2-CG1 4.17Å; L308-I355 HydrophobicContact CD2-CG2 3.58Å; L320-I355 HydrophobicContact CD2-CG2 4.23Å; L320-I355 WeakPolarHBondContact O-CG2 3.33Å; T325-I355 HydrophobicContact CG2-CD1 3.91Å; V329-I355 HydrophobicContact CB-CD1 4.46Å; V329-I355 HydrophobicContact CG2-CD1 3.91Å; I355-D357 VanDerWaalsContact C-N 3.32Å; I355-L358 PolarHBondContact O-N 2.75Å; I355-E359 PolarHBondContact O-N 2.99Å
356K93.4Very high93.4Very high76 Ų7665.3 Ų65.333%0.3331%0.308SS..Hα-helixtrans-64.7-37.7172.3-63.4-175.1175.6-172.70112T354 L358 E359 Q360T354-K356 PolarHBondContact O-N 3.08Å; K356-L358 VanDerWaalsContact C-N 3.31Å; K356-E359 WeakPolarHBondContact O-CB 3.45Å; K356-E359 PolarHBondContact O-N 3.22Å; K356-Q360 WeakPolarHBondContact O-CG 3.44Å; K356-Q360 PolarHBondContact O-N 3.33Å
357D95.6Very high93.3Very high18 Ų1862.8 Ų62.810%0.09630%0.3CS..Hα-helixtrans-69.5-35.9178.1-58.4-49000111W341 I348 R351 T354 I355 W361W341-D357 HydrophobicContact CH2-CB 3.97Å; I348-D357 HydrophobicContact CD1-CB 3.87Å; R351-D357 IonicContact CZ-OD1 3.46Å; R351-D357 IonicContact CZ-OD2 3.81Å; R351-D357 IonicContact NH2-OD1 2.73Å; R351-D357 PolarHBondContact NH2-OD1 3.3Å; R351-D357 IonicContact NH2-OD2 2.74Å; R351-D357 PolarHBondContact NH2-OD2 2.97Å; T354-D357 PolarHBondContact N-OD2 2.94Å; T354-D357 WeakPolarHBondContact O-CB 3.14Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 PolarHBondContact OG1-N 3.12Å; T354-D357 PolarHBondContact OG1-OD2 3.19Å; I355-D357 VanDerWaalsContact C-N 3.32Å; D357-W361 VanDerWaalsContact O-CB 3.26Å; D357-W361 WeakPolarHBondContact O-CB 3.14Å; D357-W361 PolarHBondContact O-N 3.21Å
358L96.5Very high93.3Very high0 Ų060.3 Ų60.30%029%0.293CS..Hα-helixtrans-64.9-45.4173.3179.568.7000111.2L326 V329 V330 L333 W341 T354 I355 K356 W361 L362L326-L358 HydrophobicContact CD1-CB 3.8Å; L326-L358 HydrophobicContact CD1-CD2 3.92Å; L326-L358 HydrophobicContact CD1-CG 4.39Å; V329-L358 HydrophobicContact CB-CD2 4.3Å; V329-L358 HydrophobicContact CG1-CD2 3.68Å; V330-L358 HydrophobicContact CG2-CD1 4.36Å; V330-L358 HydrophobicContact CG2-CD2 4.05Å; L333-L358 HydrophobicContact CD1-CD1 4.08Å; W341-L358 HydrophobicContact CD2-CD1 3.72Å; W341-L358 HydrophobicContact CE3-CD1 3.75Å; W341-L358 HydrophobicContact CG-CD1 4.26Å; W341-L358 HydrophobicContact CH2-CB 3.85Å; W341-L358 HydrophobicContact CH2-CD1 4.29Å; W341-L358 HydrophobicContact CZ2-CB 4.06Å; W341-L358 HydrophobicContact CZ2-CD1 4.25Å; W341-L358 HydrophobicContact CZ3-CB 4.2Å; W341-L358 HydrophobicContact CZ3-CD1 4.05Å; T354-L358 PolarHBondContact O-N 2.91Å; I355-L358 PolarHBondContact O-N 2.75Å; K356-L358 VanDerWaalsContact C-N 3.31Å; L358-W361 HydrophobicContact CD1-CE3 3.72Å; L358-W361 HydrophobicContact CD1-CZ3 3.93Å; L358-W361 PolarHBondContact O-N 3.03Å; L358-L362 HydrophobicContact CD1-CD1 4.45Å; L358-L362 HydrophobicContact CD1-CG 4.45Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CB 3.4Å; L358-L362 WeakPolarHBondContact O-CG 3.13Å; L358-L362 PolarHBondContact O-N 3.17Å
359E94.8Very high93Very high11 Ų1161.5 Ų61.55%0.05130%0.3CS..Hα-helixtrans-57.4-51.8175.9174.7-177.1-150.100112Y301 H305 L308 R312 I355 K356 W361 L362 E363Y301-E359 HydrophobicContact CE2-CG 4.08Å; H305-E359 WeakPolarHBondContact CA-OE1 3.15Å; H305-E359 IonicContact CE1-OE1 3.07Å; H305-E359 IonicContact CG-OE1 3.93Å; H305-E359 IonicContact ND1-OE1 3.74Å; H305-E359 PolarHBondContact ND1-OE1 3.28Å; L308-E359 HydrophobicContact CD1-CB 3.72Å; L308-E359 HydrophobicContact CD1-CG 4.1Å; L308-E359 VanDerWaalsContact CD1-OE2 3.24Å; L308-E359 WeakPolarHBondContact CD1-OE2 3.5Å; R312-E359 IonicContact CZ-OE1 3.43Å; R312-E359 IonicContact CZ-OE2 2.77Å; R312-E359 IonicContact NE-OE2 3.66Å; R312-E359 IonicContact NH2-OE1 2.65Å; R312-E359 PolarHBondContact NH2-OE1 3.33Å; R312-E359 IonicContact NH2-OE2 2.74Å; R312-E359 PolarHBondContact NH2-OE2 3.01Å; I355-E359 PolarHBondContact O-N 2.99Å; K356-E359 WeakPolarHBondContact O-CB 3.45Å; K356-E359 PolarHBondContact O-N 3.22Å; E359-W361 VanDerWaalsContact C-N 3.28Å; E359-W361 PolarHBondContact O-N 3.06Å; E359-L362 PolarHBondContact O-N 2.82Å; E359-E363 WeakPolarHBondContact O-CB 3.24Å; E359-E363 PolarHBondContact O-N 3.27Å
360Q95.1Very high93Very high117 Ų11761.3 Ų61.355%0.54730%0.299SS..Hα-helixtrans-61.2-37.4178.5-73.6179.3-17.900112.3K356 Q364K356-Q360 WeakPolarHBondContact O-CG 3.44Å; K356-Q360 PolarHBondContact O-N 3.33Å; Q360-Q364 PolarHBondContact O-N 3.11Å
361W96.5Very high92.7Very high20 Ų2062.3 Ų62.38%0.07629%0.293CS..Hα-helixtrans-68.9-40.2176.5172.275.5000112.3L333 L337 K340 W341 R344 D357 L358 E359 Q364 I365L333-W361 HydrophobicContact CD1-CH2 4.5Å; L333-W361 HydrophobicContact CD1-CZ3 4.05Å; L337-W361 HydrophobicContact CB-CH2 4.22Å; L337-W361 HydrophobicContact CD2-CH2 4.11Å; L337-W361 WeakPolarHBondContact O-CH2 3.22Å; K340-W361 HydrophobicContact CB-CH2 4.46Å; K340-W361 HydrophobicContact CB-CZ2 3.71Å; W341-W361 HydrophobicContact CB-CH2 3.87Å; W341-W361 HydrophobicContact CB-CZ2 4.14Å; W341-W361 HydrophobicContact CB-CZ3 4.12Å; W341-W361 HydrophobicContact CD2-CE3 4.5Å; W341-W361 HydrophobicContact CE3-CB 4.22Å; W341-W361 AromaticContact CE3-CD2 3.7Å; W341-W361 HydrophobicContact CE3-CD2 3.7Å; W341-W361 AromaticContact CE3-CE3 3.73Å; W341-W361 HydrophobicContact CE3-CE3 3.73Å; W341-W361 AromaticContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CZ3 4.34Å; W341-W361 HydrophobicContact CZ3-CB 3.87Å; W341-W361 HydrophobicContact CZ3-CD2 4.27Å; W341-W361 HydrophobicContact CZ3-CE3 4.39Å; W341-W361 HydrophobicContact CZ3-CG 4.07Å; R344-W361 HydrophobicContact CG-CB 4.4Å; R344-W361 HydrophobicContact CG-CG 4.1Å; D357-W361 VanDerWaalsContact O-CB 3.26Å; D357-W361 WeakPolarHBondContact O-CB 3.14Å; D357-W361 PolarHBondContact O-N 3.21Å; L358-W361 HydrophobicContact CD1-CE3 3.72Å; L358-W361 HydrophobicContact CD1-CZ3 3.93Å; L358-W361 PolarHBondContact O-N 3.03Å; E359-W361 VanDerWaalsContact C-N 3.28Å; E359-W361 PolarHBondContact O-N 3.06Å; W361-Q364 PolarHBondContact O-N 3.13Å; W361-I365 HydrophobicContact CD2-CD1 3.82Å; W361-I365 HydrophobicContact CE3-CD1 4.04Å; W361-I365 HydrophobicContact CH2-CD1 3.54Å; W361-I365 HydrophobicContact CZ2-CD1 3.26Å; W361-I365 HydrophobicContact CZ3-CD1 3.92Å; W361-I365 WeakPolarHBondContact O-CG1 3.48Å; W361-I365 PolarHBondContact O-N 3.03Å
362L95.5Very high92.2Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-65-42.5173.4-75.2171.7000111.3V297 F300 Y301 I304 L333 L358 E359 Q364 I365 V366V297-L362 HydrophobicContact CG1-CD2 4.29Å; F300-L362 HydrophobicContact CD1-CD1 3.94Å; F300-L362 HydrophobicContact CE1-CD1 3.94Å; Y301-L362 HydrophobicContact CD2-CB 3.8Å; Y301-L362 HydrophobicContact CG-CB 4.37Å; I304-L362 HydrophobicContact CD1-CD1 3.82Å; L333-L362 HydrophobicContact CD2-CD2 4.23Å; L358-L362 HydrophobicContact CD1-CD1 4.45Å; L358-L362 HydrophobicContact CD1-CG 4.45Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CB 3.4Å; L358-L362 WeakPolarHBondContact O-CG 3.13Å; L358-L362 PolarHBondContact O-N 3.17Å; E359-L362 PolarHBondContact O-N 2.82Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.11Å; L362-I365 WeakPolarHBondContact O-CB 3.47Å; L362-I365 PolarHBondContact O-N 3.31Å; L362-I365 VanDerWaalsContact O-N 3.12Å; L362-V366 WeakPolarHBondContact O-CG2 3.16Å; L362-V366 PolarHBondContact O-N 2.96Å
363E94Very high90.5Very high78 Ų7859.8 Ų59.836%0.36429%0.294SS..Hα-helixtrans-55.3-48.4173.5-176.4174.3-152.100110.7Y301 E359 I365 V366 L367Y301-E363 HydrophobicContact CD2-CB 4.33Å; Y301-E363 HydrophobicContact CE2-CB 3.55Å; Y301-E363 HydrophobicContact CE2-CG 4.26Å; Y301-E363 WeakPolarHBondContact OH-CG 3.05Å; Y301-E363 PolarHBondContact OH-OE1 3.33Å; E359-E363 WeakPolarHBondContact O-CB 3.24Å; E359-E363 PolarHBondContact O-N 3.27Å; E363-I365 VanDerWaalsContact C-N 3.31Å; E363-I365 PolarHBondContact O-N 3.38Å; E363-V366 PolarHBondContact O-N 2.99Å; E363-L367 HydrophobicContact CG-CD1 3.93Å; E363-L367 HydrophobicContact CG-CG 4.31Å; E363-L367 WeakPolarHBondContact O-CB 3.41Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.17Å; E363-L367 PolarHBondContact O-N 3.27Å
364Q93.9Very high88.7Confident103 Ų10363.4 Ų63.448%0.48132%0.317SS..Hα-helixtrans-58.7-41.9176.4-174.2-177.1-8.700112Q360 W361 L362 T368Q360-Q364 PolarHBondContact O-N 3.11Å; W361-Q364 PolarHBondContact O-N 3.13Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.11Å; Q364-T368 VanDerWaalsContact O-CB 3.28Å; Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 2.67Å; Q364-T368 PolarHBondContact O-OG1 3.41Å
365I92.8Very high86.4Confident25 Ų2568.3 Ų68.313%0.12835%0.347CS..Hα-helixtrans-62.9-47.2176.1-70169.5000110.9V297 L337 W361 L362 E363 T368 N369V297-I365 HydrophobicContact CG1-CG2 4.04Å; L337-I365 HydrophobicContact CD2-CD1 4.2Å; W361-I365 HydrophobicContact CD2-CD1 3.82Å; W361-I365 HydrophobicContact CE3-CD1 4.04Å; W361-I365 HydrophobicContact CH2-CD1 3.54Å; W361-I365 HydrophobicContact CZ2-CD1 3.26Å; W361-I365 HydrophobicContact CZ3-CD1 3.92Å; W361-I365 WeakPolarHBondContact O-CG1 3.48Å; W361-I365 PolarHBondContact O-N 3.03Å; L362-I365 WeakPolarHBondContact O-CB 3.47Å; L362-I365 PolarHBondContact O-N 3.31Å; L362-I365 VanDerWaalsContact O-N 3.12Å; E363-I365 VanDerWaalsContact C-N 3.31Å; E363-I365 PolarHBondContact O-N 3.38Å; I365-T368 PolarHBondContact O-N 2.95Å; I365-N369 WeakPolarHBondContact O-CB 3.36Å; I365-N369 VanDerWaalsContact O-CG 3.26Å; I365-N369 PolarHBondContact O-N 2.83Å; I365-N369 PolarHBondContact O-OD1 2.79Å
366V91Very high84Confident3 Ų374.6 Ų74.62%0.01838%0.377CS..Hα-helixtrans-62.5-46.4-179.7171.10000110.9V297 E298 Y301 L362 E363 T368 N369 R370V297-V366 HydrophobicContact CG1-CG2 4.27Å; E298-V366 HydrophobicContact CB-CG1 4.13Å; E298-V366 HydrophobicContact CB-CG2 4.14Å; E298-V366 HydrophobicContact CG-CG1 3.83Å; Y301-V366 HydrophobicContact CD1-CB 4.48Å; Y301-V366 HydrophobicContact CD1-CG2 4.09Å; Y301-V366 HydrophobicContact CG-CG2 4.12Å; L362-V366 WeakPolarHBondContact O-CG2 3.16Å; L362-V366 PolarHBondContact O-N 2.96Å; E363-V366 PolarHBondContact O-N 2.99Å; V366-T368 VanDerWaalsContact C-N 3.34Å; V366-T368 PolarHBondContact O-N 3.33Å; V366-N369 PolarHBondContact O-N 3.16Å; V366-R370 WeakPolarHBondContact O-CG 3.11Å; V366-R370 PolarHBondContact O-N 2.7Å
367L90.7Very high81.4Confident84 Ų8476 Ų7644%0.4440%0.396SS..Hα-helixtrans-61.9-42.6176-68.4176000111.3E363 R370 M371E363-L367 HydrophobicContact CG-CD1 3.93Å; E363-L367 HydrophobicContact CG-CG 4.31Å; E363-L367 WeakPolarHBondContact O-CB 3.41Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.17Å; E363-L367 PolarHBondContact O-N 3.27Å; L367-R370 PolarHBondContact O-N 3.45Å; L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 2.89Å
368T91.3Very high78.3Confident69 Ų6980.5 Ų80.542%0.42343%0.429SS..Hα-helixtrans-61.3-46.8175.9-56.40000111Q364 I365 V366 R370 M371 V372Q364-T368 VanDerWaalsContact O-CB 3.28Å; Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 2.67Å; Q364-T368 PolarHBondContact O-OG1 3.41Å; I365-T368 PolarHBondContact O-N 2.95Å; V366-T368 VanDerWaalsContact C-N 3.34Å; V366-T368 PolarHBondContact O-N 3.33Å; T368-R370 PolarHBondContact O-N 3.4Å; T368-M371 PolarHBondContact O-N 3.49Å; T368-V372 HydrophobicContact CG2-CG2 4.47Å; T368-V372 WeakPolarHBondContact O-CG2 3.36Å; T368-V372 PolarHBondContact O-N 2.95Å
369N87.7Confident75.6Confident53 Ų5391.3 Ų91.328%0.28347%0.47SS..Hα-helixtrans-60.6-34.1178.5-75.5-1.6000112.3D294 I365 V366D294-N369 HydrophobicContact CB-CB 4.5Å; D294-N369 WeakPolarHBondContact CB-ND2 3.33Å; D294-N369 PolarHBondContact OD1-ND2 3.38Å; I365-N369 WeakPolarHBondContact O-CB 3.36Å; I365-N369 VanDerWaalsContact O-CG 3.26Å; I365-N369 PolarHBondContact O-N 2.83Å; I365-N369 PolarHBondContact O-OD1 2.79Å; V366-N369 PolarHBondContact O-N 3.16Å
370R86.7Confident73Confident143 Ų14396.3 Ų96.354%0.5451%0.506SS..Hα-helixtrans-74.7-25174.8-70.3172.7177.2-176.3-3.1113.6E298 V366 L367 T368E298-R370 IonicContact OE1-CZ 3.3Å; E298-R370 IonicContact OE1-NE 3.63Å; E298-R370 IonicContact OE1-NH2 3.59Å; E298-R370 PolarHBondContact OE1-NH2 3.03Å; E298-R370 IonicContact OE2-CZ 2.7Å; E298-R370 IonicContact OE2-NE 3.65Å; E298-R370 PolarHBondContact OE2-NE 3.14Å; E298-R370 VanDerWaalsContact OE2-NE 3.07Å; E298-R370 IonicContact OE2-NH2 3.7Å; E298-R370 PolarHBondContact OE2-NH2 3.28Å; V366-R370 WeakPolarHBondContact O-CG 3.11Å; V366-R370 PolarHBondContact O-N 2.7Å; L367-R370 PolarHBondContact O-N 3.45Å; T368-R370 PolarHBondContact O-N 3.4Å
371M84.3Confident70.2Confident162 Ų16299.2 Ų99.280%0.79852%0.519SS*.Hα-helixtrans-85.9-21.8177.2-69.3-176.882.500113.3L367 T368 E373L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 2.89Å; T368-M371 PolarHBondContact O-N 3.49Å; M371-E373 PolarHBondContact O-N 3.25Å
372V81.6Confident67.3Low92 Ų92102.6 Ų102.656%0.55855%0.546SS*.SBendtrans-76.9102172.4177.30000107.1T368T368-V372 HydrophobicContact CG2-CG2 4.47Å; T368-V372 WeakPolarHBondContact O-CG2 3.36Å; T368-V372 PolarHBondContact O-N 2.95Å
373E54.4Low65Low147 Ų147109.4 Ų109.469%0.68758%0.582SS**  trans-47.9134.9167.4-75.8-62.8138.800108.8M371 T375M371-E373 PolarHBondContact O-N 3.25Å; E373-T375 PolarHBondContact O-N 2.93Å
374P57.9Low62.2Low108 Ų108111.8 Ų111.870%0.70160%0.602SS**  trans-5698.3170.5-16.828.4000106.5E376P374-E376 PolarHBondContact O-N 2.92Å
375T46.4Very low59.9Low126 Ų126113.7 Ų113.777%0.77362%0.62SS**  trans-71.585.4165.6-54.30000102.5E373 S377E373-T375 PolarHBondContact O-N 2.93Å; T375-S377 PolarHBondContact O-N 3.43Å
376E43.8Very low57.5Low132 Ų132122.6 Ų122.662%0.61765%0.652SS**  trans-44.6103.1157.5-74-103.3141.900103.5P374 S378P374-E376 PolarHBondContact O-N 2.92Å; E376-S378 PolarHBondContact O-N 3.14Å
377S38Very low55Low104 Ų104129.8 Ų129.873%0.72769%0.686SS**  trans-60.994.2161.852.10000103.7T375 R379T375-S377 PolarHBondContact O-N 3.43Å; S377-R379 PolarHBondContact O-N 2.9Å
378S31.8Very low52.7Low113 Ų113137.1 Ų137.179%0.7971%0.707SS**  trans-53.882174.3-72.30000109.4E376E376-S378 PolarHBondContact O-N 3.14Å
379R40.4Very low50.3Low227 Ų227138.6 Ų138.686%0.85772%0.718SS**  trans-142.6107.4159.8-79.2-168.9176.9-177.6-1.8105.8S377S377-R379 PolarHBondContact O-N 2.9Å
380S38.7Very low48.2Very low116 Ų116141.7 Ų141.781%0.81174%0.744SS**  trans95.842.9165-44.50000117.3
381Q36Very low46.2Very low178 Ų178142.3 Ų142.383%0.83276%0.758SS**  trans-9680.2133.3-72.9-174.43400108
382S37.4Very low44.4Very low92 Ų92139 Ų13964%0.64375%0.748SS**  trans-144.3124.6157.992.60000109
383L46.7Very low42.7Very low142 Ų142142.3 Ų142.374%0.74376%0.762SS**  trans73.189.6150.3-49.3176000117.2
384T35.8Very low42.2Very low129 Ų129139.5 Ų139.579%0.79176%0.759SS**  37.7101.5121.159.30000117.1
385V45.2Very low41.6Very low143 Ų143143.8 Ų143.887%0.86777%0.767SS**  trans-131101.1151.3-178.70000110.1
386R40.9Very low41.5Very low212 Ų212142.6 Ų142.680%0.876%0.764SS**  trans-65.7127.1163.9-167.4177.2-172.6-152.34108.3
387Q40.3Very low41.3Very low153 Ų153147.1 Ų147.172%0.71578%0.775SS**  trans63105.1146.6-65.9179.9-5.300118
388R41.6Very low41.6Very low238 Ų238153.1 Ų153.190%0.89878%0.782SS**  100.3161.585.6-122.3-151.8164.2160.3-1.3111
389P40.9Very low42Very low101 Ų101152.6 Ų152.666%0.65678%0.778SS**  -131.9166.4-111.238.6-18.9000113.4
390S43.2Very low42.2Very low117 Ų117149.9 Ų149.982%0.81878%0.775SS**  trans-179.8108.214230.90000109.1
391N45.6Very low42.7Very low156 Ų156151.7 Ų151.783%0.83478%0.775SS**  82.5152.984.5-11723.2000113.1
392P45.2Very low43.1Very low92 Ų92150.7 Ų150.760%0.59778%0.775SS**  -127.2177.3-95.531.7-12.3000111.3
393L47.4Very low43.5Very low162 Ų162152 Ų15285%0.84878%0.779SS**  trans167.2138.3130.2-106.786.9000111.8
394S42.6Very low43.3Very low89 Ų89151.6 Ų151.662%0.62278%0.782SS**  trans85.297.7139.4-167.40000120.6
395K46.3Very low44Very low197 Ų197151 Ų15186%0.85778%0.779SS**  75.6119.2125.2-66.6176.2-174.7171.80120
396S44.6Very low44.2Very low102 Ų102150 Ų15071%0.71377%0.773SS**  95.2104.5123.6-169.30000119.2
397R38Very low44.5Very low227 Ų227147.7 Ų147.786%0.85777%0.773SS**  trans43.4107.9132.3-60.2-178.7-179.3-154.80.5117
398R45.2Very low45Very low230 Ų230144 Ų14487%0.86876%0.764SS**  -177143.4111.9-96.7163.6-163-163.75.4111.4H400R398-H400 PolarHBondContact O-CD2 3.23Å; R398-H400 VanDerWaalsContact O-CD2 3.31Å
399S39.8Very low46Very low102 Ų102141 Ų14171%0.71377%0.766SS**  trans-31.6126.9168.6161.60000115.1
400H44.3Very low47.3Very low169 Ų169140.5 Ų140.578%0.78276%0.761SS**  trans-123.5112.6159.1-73.7-83.2000109.9R398R398-H400 PolarHBondContact O-CD2 3.23Å; R398-H400 VanDerWaalsContact O-CD2 3.31Å
401L49.8Very low49.3Very low155 Ų155138 Ų13881%0.81274%0.742SS**  trans-63.9124.3162.1-76.3148.2000107.7V403L401-V403 PolarHBondContact O-N 3.45Å; L401-V403 VanDerWaalsContact O-N 3.12Å
402N43.6Very low51.1Low156 Ų156130.8 Ų130.883%0.83470%0.704SS**  trans-76.796.4171.7-70.6-18.4000108.7
403V46.9Very low53Low120 Ų120132 Ų13273%0.72771%0.709SS**  trans-88.8108.9162.9178.50000106.7L401 T405L401-V403 PolarHBondContact O-N 3.45Å; L401-V403 VanDerWaalsContact O-N 3.12Å; V403-T405 PolarHBondContact O-N 2.88Å
404T41.8Very low54.8Low134 Ų134126.6 Ų126.682%0.82268%0.681SS**  trans-76.497.3173.1-44.90000108.1V406T404-V406 PolarHBondContact O-N 2.95Å
405T51.3Low57Low116 Ų116124.8 Ų124.871%0.71267%0.668SS**  trans-72.3122.7172.5-47.90000109.1V403 M407V403-T405 PolarHBondContact O-N 2.88Å; T405-M407 PolarHBondContact O-N 3.44Å
406V49.3Very low58.7Low123 Ų123123.2 Ų123.275%0.74566%0.663SS**  trans-59.7116.8169.1178.40000107.6T404 S408T404-V406 PolarHBondContact O-N 2.95Å; V406-S408 VanDerWaalsContact C-N 3.35Å; V406-S408 PolarHBondContact O-N 2.89Å
407M47.1Very low60.6Low162 Ų162119.3 Ų119.380%0.79864%0.639SS**  trans-7392.2171.4-66.4-174.870.900108.2T405T405-M407 PolarHBondContact O-N 3.44Å
408S51.2Low62.8Low77 Ų77116.3 Ų116.354%0.53864%0.64SS.*  trans-90.5140.3156.844.70000108V406 V410V406-S408 VanDerWaalsContact C-N 3.35Å; V406-S408 PolarHBondContact O-N 2.89Å; S408-V410 PolarHBondContact O-N 3.42Å; S408-V410 WeakPolarHBondContact OG-CG2 3.32Å
409D61.5Low64.7Low175 Ų175107.9 Ų107.994%0.93661%0.61SS**  trans-6166.6177-64.3-43.2000112.1
410V69.4Low66.8Low89 Ų89107.9 Ų107.954%0.53960%0.602SS.*  trans-96.9115.6-179.7-179.30000107.3S408S408-V410 PolarHBondContact O-N 3.42Å; S408-V410 WeakPolarHBondContact OG-CG2 3.32Å
411P83.7Confident68.8Low66 Ų66102.1 Ų102.143%0.42958%0.577SS.*  trans-61.4152.1175.627-34.2000109.9V413P411-V413 PolarHBondContact O-N 2.99Å; P411-V413 VanDerWaalsContact O-N 3.16Å
412C84.3Confident70.5Confident4 Ų498.7 Ų98.73%0.02757%0.565CS.*  trans-54123.2178.9-179.60000110.7L414 Q416 G417 H419 C424C412-L414 PolarHBondContact O-N 3.39Å; C412-Q416 WeakPolarHBondContact O-CA 3.45Å; C412-Q416 PolarHBondContact O-N 3.26Å; C412-G417 WeakPolarHBondContact CB-O 3.35Å; C412-G417 PolarHBondContact N-O 2.97Å; C412-H419 WeakPolarHBondContact CB-NE2 3.5Å; C412-C424 VanDerWaalsContact SG-CB 3.54Å; C412-C424 PolarHBondContact SG-SG 3.35Å
413V84.9Confident72.4Confident116 Ų11694 Ų9470%0.70355%0.548SS*.THydrogen-bonded Turntrans-60.8-22.4-177.7-176.50000112.8P411P411-V413 PolarHBondContact O-N 2.99Å; P411-V413 VanDerWaalsContact O-N 3.16Å
414L85.2Confident74.4Confident50 Ų5088.3 Ų88.326%0.26251%0.514SS..THydrogen-bonded Turntrans-91.3-45.6-177.1-66.6174.4000114.2C412 L421 Q426 F427 F430 I438C412-L414 PolarHBondContact O-N 3.39Å; L414-L421 HydrophobicContact CB-CD1 4.47Å; L414-L421 HydrophobicContact CD1-CD1 3.51Å; L414-L421 HydrophobicContact CG-CD1 3.69Å; L414-Q426 PolarHBondContact O-OE1 3.27Å; L414-F427 HydrophobicContact CD1-CB 3.69Å; L414-F427 HydrophobicContact CD1-CD2 3.98Å; L414-F427 HydrophobicContact CD1-CG 4.32Å; L414-F430 HydrophobicContact CD1-CD2 4.41Å; L414-F430 HydrophobicContact CD1-CE2 4.11Å; L414-F430 HydrophobicContact CD2-CE2 4.35Å; L414-I438 HydrophobicContact CD1-CD1 3.97Å; L414-I438 HydrophobicContact CD1-CG2 4.31Å; L414-I438 HydrophobicContact CD2-CD1 3.87Å; L414-I438 HydrophobicContact CD2-CG1 4.16Å; L414-I438 HydrophobicContact CD2-CG2 3.78Å; L414-I438 HydrophobicContact CG-CD1 4.49Å; L414-I438 HydrophobicContact CG-CG2 4.09Å
415C88.3Confident76.5Confident51 Ų5186.4 Ų86.435%0.34550%0.504SS..THydrogen-bonded Turntrans-122.14.5-173.974.70000113.8G417 H419C415-G417 PolarHBondContact O-N 3.13Å; C415-G417 VanDerWaalsContact O-N 3.1Å; C415-H419 PolarHBondContact SG-CE1 3.38Å; C415-H419 PolarHBondContact SG-NE2 3.18Å
416Q82.5Confident78.3Confident163 Ų16385.5 Ų85.576%0.76249%0.492SS*.  trans58.120.8179.7-55.7175.612.600114.6C412C412-Q416 WeakPolarHBondContact O-CA 3.45Å; C412-Q416 PolarHBondContact O-N 3.26Å
417G83.6Confident80.2Confident20 Ų2081.3 Ų81.321%0.20646%0.463CS..  trans-86.5160.9177.300000113C412 C415 H419C412-G417 WeakPolarHBondContact CB-O 3.35Å; C412-G417 PolarHBondContact N-O 2.97Å; C415-G417 PolarHBondContact O-N 3.13Å; C415-G417 VanDerWaalsContact O-N 3.1Å; G417-H419 PolarHBondContact O-N 2.92Å
418D84.7Confident82.1Confident164 Ų16478 Ų7888%0.87745%0.448SS*.SBendtrans-77.866.7178.6-63.5-30.2000111.9
419H85.2Confident83.9Confident53 Ų5378.7 Ų78.725%0.24545%0.453CS..SBendtrans-153.8154.4174.254.5-89.4000110.8C412 C415 G417 A423 C424C412-H419 WeakPolarHBondContact CB-NE2 3.5Å; C415-H419 PolarHBondContact SG-CE1 3.38Å; C415-H419 PolarHBondContact SG-NE2 3.18Å; G417-H419 PolarHBondContact O-N 2.92Å; H419-A423 HydrophobicContact CB-CB 4.29Å; H419-C424 VanDerWaalsContact CD2-CA 3.41Å; H419-C424 WeakPolarHBondContact CD2-CA 3.46Å; H419-C424 VanDerWaalsContact NE2-CA 3.28Å; H419-C424 WeakPolarHBondContact NE2-CA 3.4Å; H419-C424 VanDerWaalsContact NE2-CB 3.27Å; H419-C424 WeakPolarHBondContact NE2-CB 3.21Å; H419-C424 PolarHBondContact NE2-SG 2.79Å
420L84.8Confident85.2Confident102 Ų10273.6 Ų73.653%0.53442%0.423SS..  trans-62.2146.5171.1-63.6170.6000110.1S422 A423 C424L420-S422 PolarHBondContact O-N 3.23Å; L420-A423 PolarHBondContact O-N 2.85Å; L420-C424 PolarHBondContact O-N 3.39Å
421L85.8Confident85.9Confident49 Ų4973.6 Ų73.626%0.25742%0.423SS..G310 helixtrans-49.8-34.2176.4-172.668.1000112.5L414 A423 C424 F427 I438L414-L421 HydrophobicContact CB-CD1 4.47Å; L414-L421 HydrophobicContact CD1-CD1 3.51Å; L414-L421 HydrophobicContact CG-CD1 3.69Å; L421-A423 PolarHBondContact O-N 2.89Å; L421-C424 WeakPolarHBondContact O-CB 3.26Å; L421-C424 PolarHBondContact O-N 2.88Å; L421-C424 VanDerWaalsContact O-N 3.15Å; L421-F427 HydrophobicContact CD1-CB 4.27Å; L421-F427 HydrophobicContact CD1-CD2 4Å; L421-F427 HydrophobicContact CD1-CG 4.22Å; L421-F427 HydrophobicContact CD2-CD2 4.2Å; L421-F427 HydrophobicContact CD2-CE2 4Å; L421-F427 HydrophobicContact CD2-CZ 4.42Å; L421-F427 HydrophobicContact CG-CB 4.5Å; L421-F427 HydrophobicContact CG-CD1 4.41Å; L421-F427 HydrophobicContact CG-CD2 3.85Å; L421-F427 HydrophobicContact CG-CE2 4.09Å; L421-F427 HydrophobicContact CG-CG 4.02Å; L421-F427 HydrophobicContact CG-CZ 4.46Å; L421-F427 WeakPolarHBondContact O-CB 3.38Å; L421-F427 WeakPolarHBondContact O-CD1 3.25Å; L421-F427 WeakPolarHBondContact O-CG 3.1Å; L421-I438 HydrophobicContact CD1-CG2 4.29Å; L421-I438 HydrophobicContact CD2-CG2 4.09Å
422S84.4Confident85.9Confident82 Ų8275.5 Ų75.557%0.57344%0.436SS*.G310 helixtrans-63-22.2176.253.50000114.9L420L420-S422 PolarHBondContact O-N 3.23Å
423A84.6Confident85.7Confident58 Ų5881.7 Ų81.748%0.47947%0.468SS..G310 helixtrans-103.82.7177.300000113H419 L420 L421 P425H419-A423 HydrophobicContact CB-CB 4.29Å; L420-A423 PolarHBondContact O-N 2.85Å; L421-A423 PolarHBondContact O-N 2.89Å; A423-P425 WeakPolarHBondContact O-CD 3.47Å
424C87.8Confident85.6Confident0 Ų082.1 Ų82.10%046%0.457CS..  trans-73.9125.1-177.6-178.30000111.9C412 H419 L420 L421 Q426 F427 L428C412-C424 VanDerWaalsContact SG-CB 3.54Å; C412-C424 PolarHBondContact SG-SG 3.35Å; H419-C424 VanDerWaalsContact CD2-CA 3.41Å; H419-C424 WeakPolarHBondContact CD2-CA 3.46Å; H419-C424 VanDerWaalsContact NE2-CA 3.28Å; H419-C424 WeakPolarHBondContact NE2-CA 3.4Å; H419-C424 VanDerWaalsContact NE2-CB 3.27Å; H419-C424 WeakPolarHBondContact NE2-CB 3.21Å; H419-C424 PolarHBondContact NE2-SG 2.79Å; L420-C424 PolarHBondContact O-N 3.39Å; L421-C424 WeakPolarHBondContact O-CB 3.26Å; L421-C424 PolarHBondContact O-N 2.88Å; L421-C424 VanDerWaalsContact O-N 3.15Å; C424-Q426 VanDerWaalsContact C-N 3.27Å; C424-Q426 PolarHBondContact O-N 3.46Å; C424-F427 HydrophobicContact CB-CB 3.72Å; C424-F427 WeakPolarHBondContact O-CB 3.47Å; C424-F427 PolarHBondContact O-N 3.37Å; C424-F427 VanDerWaalsContact O-N 3.1Å; C424-L428 WeakPolarHBondContact O-CG 3.29Å; C424-L428 PolarHBondContact O-N 2.87Å
425P87.9Confident85.7Confident95 Ų9583.6 Ų83.662%0.61746%0.46SS*.Hα-helixtrans-59.2-35.6177.5-2332.5000113.3A423 L428 S429A423-P425 WeakPolarHBondContact O-CD 3.47Å; P425-L428 PolarHBondContact O-N 3.43Å; P425-S429 PolarHBondContact O-N 2.81Å
426Q87.7Confident85.4Confident97 Ų9785.3 Ų85.345%0.45348%0.478SS..Hα-helixtrans-69.7-39175.4-67-177-22.700111.9L414 C424 L428 S429 F430L414-Q426 PolarHBondContact O-OE1 3.27Å; C424-Q426 VanDerWaalsContact C-N 3.27Å; C424-Q426 PolarHBondContact O-N 3.46Å; Q426-L428 VanDerWaalsContact C-N 3.32Å; Q426-L428 PolarHBondContact O-N 3.26Å; Q426-S429 PolarHBondContact O-N 2.69Å; Q426-S429 PolarHBondContact O-OG 2.93Å; Q426-F430 WeakPolarHBondContact O-CD2 3.12Å; Q426-F430 PolarHBondContact O-N 3.48Å
427F88.8Confident85.3Confident34 Ų3484 Ų8415%0.14947%0.472CS..Hα-helixtrans-63.6-41.7173.7-173.8-112.5000111.2L414 L421 C424 S429 F430 R435 I438L414-F427 HydrophobicContact CD1-CB 3.69Å; L414-F427 HydrophobicContact CD1-CD2 3.98Å; L414-F427 HydrophobicContact CD1-CG 4.32Å; L421-F427 HydrophobicContact CD1-CB 4.27Å; L421-F427 HydrophobicContact CD1-CD2 4Å; L421-F427 HydrophobicContact CD1-CG 4.22Å; L421-F427 HydrophobicContact CD2-CD2 4.2Å; L421-F427 HydrophobicContact CD2-CE2 4Å; L421-F427 HydrophobicContact CD2-CZ 4.42Å; L421-F427 HydrophobicContact CG-CB 4.5Å; L421-F427 HydrophobicContact CG-CD1 4.41Å; L421-F427 HydrophobicContact CG-CD2 3.85Å; L421-F427 HydrophobicContact CG-CE2 4.09Å; L421-F427 HydrophobicContact CG-CG 4.02Å; L421-F427 HydrophobicContact CG-CZ 4.46Å; L421-F427 WeakPolarHBondContact O-CB 3.38Å; L421-F427 WeakPolarHBondContact O-CD1 3.25Å; L421-F427 WeakPolarHBondContact O-CG 3.1Å; C424-F427 HydrophobicContact CB-CB 3.72Å; C424-F427 WeakPolarHBondContact O-CB 3.47Å; C424-F427 PolarHBondContact O-N 3.37Å; C424-F427 VanDerWaalsContact O-N 3.1Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.05Å; F427-F430 PolarHBondContact O-N 3.44Å; F427-R435 HydrophobicContact CD2-CB 4.4Å; F427-R435 HydrophobicContact CD2-CG 4.01Å; F427-R435 HydrophobicContact CE1-CG 4.4Å; F427-R435 HydrophobicContact CE2-CB 3.64Å; F427-R435 HydrophobicContact CE2-CG 3.71Å; F427-R435 HydrophobicContact CG-CG 4.49Å; F427-R435 HydrophobicContact CZ-CB 3.82Å; F427-R435 HydrophobicContact CZ-CG 3.92Å; F427-R435 WeakPolarHBondContact O-CD 3.41Å; F427-R435 PolarHBondContact O-NE 2.88Å; F427-I438 HydrophobicContact CD2-CD1 4.23Å
428L88.3Confident84.9Confident92 Ų9287.2 Ų87.248%0.48248%0.483SS..Hα-helixtrans-70.8-24.7179.5-67.1175.6000113.1C424 P425 Q426 R435C424-L428 WeakPolarHBondContact O-CG 3.29Å; C424-L428 PolarHBondContact O-N 2.87Å; P425-L428 PolarHBondContact O-N 3.43Å; Q426-L428 VanDerWaalsContact C-N 3.32Å; Q426-L428 PolarHBondContact O-N 3.26Å; L428-R435 VanDerWaalsContact C-NH2 3.35Å; L428-R435 PolarHBondContact O-NH2 2.85Å
429S88.6Confident84.9Confident92 Ų9283.4 Ų83.464%0.64346%0.463SS*.Hα-helixtrans-80-19.2174.569.20000113.6P425 Q426 F427P425-S429 PolarHBondContact O-N 2.81Å; Q426-S429 PolarHBondContact O-N 2.69Å; Q426-S429 PolarHBondContact O-OG 2.93Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.05Å
430F87.6Confident84.9Confident68 Ų6884.9 Ų84.930%0.29848%0.475SS..SBendtrans-70.7145.4175.9-73.4-41.8000113L414 Q426 F427 R434 R435 I438L414-F430 HydrophobicContact CD1-CD2 4.41Å; L414-F430 HydrophobicContact CD1-CE2 4.11Å; L414-F430 HydrophobicContact CD2-CE2 4.35Å; Q426-F430 WeakPolarHBondContact O-CD2 3.12Å; Q426-F430 PolarHBondContact O-N 3.48Å; F427-F430 PolarHBondContact O-N 3.44Å; F430-R434 HydrophobicContact CB-CB 3.98Å; F430-R434 HydrophobicContact CB-CG 3.99Å; F430-R434 HydrophobicContact CD1-CB 4.29Å; F430-R434 HydrophobicContact CD1-CG 3.53Å; F430-R434 HydrophobicContact CD2-CG 4.23Å; F430-R434 HydrophobicContact CE1-CG 4.04Å; F430-R434 HydrophobicContact CG-CB 4.22Å; F430-R434 HydrophobicContact CG-CG 3.65Å; F430-R435 HydrophobicContact CB-CG 3.88Å; F430-R435 PolarHBondContact O-NE 3.04Å; F430-R435 PolarHBondContact O-NH2 2.86Å; F430-I438 HydrophobicContact CD2-CD1 3.43Å; F430-I438 VanDerWaalsContact CD2-CD1 3.43Å; F430-I438 HydrophobicContact CE2-CD1 3.58Å; F430-I438 HydrophobicContact CG-CD1 4.45Å
431T84.9Confident84.9Confident89 Ų8984 Ų8455%0.54647%0.471SS..  trans-62.8154170.660.20000110.3N433 R434 R435T431-N433 PolarHBondContact O-N 2.81Å; T431-N433 VanDerWaalsContact O-N 3.13Å; T431-R434 PolarHBondContact O-N 3.39Å; T431-R434 PolarHBondContact OG1-N 3Å; T431-R435 PolarHBondContact O-N 3.22Å
432P82.9Confident84.9Confident107 Ų10786.1 Ų86.170%0.69548%0.484SS*.Hα-helixtrans-53.1-35.4178.4-28.135.3000113.9R435 A436P432-R435 PolarHBondContact O-N 3.1Å; P432-A436 PolarHBondContact O-N 3.35Å
433N81.8Confident84.9Confident133 Ų13386.3 Ų86.371%0.71148%0.478SS*.Hα-helixtrans-62.8-46173.9-76.7-1.6000111.7T431 R435 A436T431-N433 PolarHBondContact O-N 2.81Å; T431-N433 VanDerWaalsContact O-N 3.13Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.49Å; N433-A436 PolarHBondContact O-N 3.02Å
434R82Confident84.9Confident125 Ų12588.2 Ų88.247%0.47248%0.478SS..Hα-helixtrans-69.8-29.6-180-17358.4167.9-164.70.1112.8F430 T431 A436 E437 I438F430-R434 HydrophobicContact CB-CB 3.98Å; F430-R434 HydrophobicContact CB-CG 3.99Å; F430-R434 HydrophobicContact CD1-CB 4.29Å; F430-R434 HydrophobicContact CD1-CG 3.53Å; F430-R434 HydrophobicContact CD2-CG 4.23Å; F430-R434 HydrophobicContact CE1-CG 4.04Å; F430-R434 HydrophobicContact CG-CB 4.22Å; F430-R434 HydrophobicContact CG-CG 3.65Å; T431-R434 PolarHBondContact O-N 3.39Å; T431-R434 PolarHBondContact OG1-N 3Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å; R434-E437 WeakPolarHBondContact CD-OE2 3.2Å; R434-E437 IonicContact CZ-OE2 3.62Å; R434-E437 IonicContact NE-OE2 3.58Å; R434-E437 IonicContact NH1-OE2 2.77Å; R434-E437 PolarHBondContact NH1-OE2 3.25Å; R434-E437 PolarHBondContact O-N 2.79Å; R434-I438 WeakPolarHBondContact O-CD1 3.44Å
435R87.2Confident84.7Confident81 Ų8194.5 Ų94.531%0.30651%0.513SS..Hα-helixtrans-68.5-23.6172.7-66.5-174.5-162.4177.63.8113.6F427 L428 F430 T431 P432 N433 E437F427-R435 HydrophobicContact CD2-CB 4.4Å; F427-R435 HydrophobicContact CD2-CG 4.01Å; F427-R435 HydrophobicContact CE1-CG 4.4Å; F427-R435 HydrophobicContact CE2-CB 3.64Å; F427-R435 HydrophobicContact CE2-CG 3.71Å; F427-R435 HydrophobicContact CG-CG 4.49Å; F427-R435 HydrophobicContact CZ-CB 3.82Å; F427-R435 HydrophobicContact CZ-CG 3.92Å; F427-R435 WeakPolarHBondContact O-CD 3.41Å; F427-R435 PolarHBondContact O-NE 2.88Å; L428-R435 VanDerWaalsContact C-NH2 3.35Å; L428-R435 PolarHBondContact O-NH2 2.85Å; F430-R435 HydrophobicContact CB-CG 3.88Å; F430-R435 PolarHBondContact O-NE 3.04Å; F430-R435 PolarHBondContact O-NH2 2.86Å; T431-R435 PolarHBondContact O-N 3.22Å; P432-R435 PolarHBondContact O-N 3.1Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.49Å; R435-E437 VanDerWaalsContact C-N 3.3Å
436A82.1Confident84.5Confident88 Ų8894.5 Ų94.573%0.72751%0.505SS*.THydrogen-bonded Turntrans-81.3-11.4176.900000113.1P432 N433 R434P432-A436 PolarHBondContact O-N 3.35Å; N433-A436 PolarHBondContact O-N 3.02Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å
437E80.8Confident84.2Confident135 Ų13594.3 Ų94.363%0.63151%0.509SS*.THydrogen-bonded Turntrans-92.2-6.1177.5-65.1174.3-18000113.3R434 R435R434-E437 WeakPolarHBondContact CD-OE2 3.2Å; R434-E437 IonicContact CZ-OE2 3.62Å; R434-E437 IonicContact NE-OE2 3.58Å; R434-E437 IonicContact NH1-OE2 2.77Å; R434-E437 PolarHBondContact NH1-OE2 3.25Å; R434-E437 PolarHBondContact O-N 2.79Å; R435-E437 VanDerWaalsContact C-N 3.3Å
438I75.8Confident83.8Confident87 Ų8799.7 Ų99.745%0.44654%0.542SS..  trans-109.60-178.1-57.5159.3000108.1L414 L421 F427 F430 R434L414-I438 HydrophobicContact CD1-CD1 3.97Å; L414-I438 HydrophobicContact CD1-CG2 4.31Å; L414-I438 HydrophobicContact CD2-CD1 3.87Å; L414-I438 HydrophobicContact CD2-CG1 4.16Å; L414-I438 HydrophobicContact CD2-CG2 3.78Å; L414-I438 HydrophobicContact CG-CD1 4.49Å; L414-I438 HydrophobicContact CG-CG2 4.09Å; L421-I438 HydrophobicContact CD1-CG2 4.29Å; L421-I438 HydrophobicContact CD2-CG2 4.09Å; F427-I438 HydrophobicContact CD2-CD1 4.23Å; F430-I438 HydrophobicContact CD2-CD1 3.43Å; F430-I438 VanDerWaalsContact CD2-CD1 3.43Å; F430-I438 HydrophobicContact CE2-CD1 3.58Å; F430-I438 HydrophobicContact CG-CD1 4.45Å; R434-I438 WeakPolarHBondContact O-CD1 3.44Å

Retrieved 438 of 438 residues in 401.5 ms (Link to these results)