A0A087X5H9_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087X5H9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M29.9Very low29.7Very low227 Ų227155.5 Ų155.5100%1.11882%0.817SS**  01180-62.8177.5-176.800106.5
2L27.4Very low30.2Very low167 Ų167153.4 Ų153.487%0.87482%0.82SS**  68.6123.8101.2-62.3169.5000112.5
3G27.9Very low30.1Very low59 Ų59149.6 Ų149.661%0.60882%0.823SS**  cis-153.5159.3-2.700000110.7
4L28.4Very low30Very low157 Ų157155.2 Ų155.282%0.82283%0.825SS**  63.7131.288.3-66.9161000112.6
5S30.1Very low30Very low104 Ų104153.9 Ų153.973%0.72782%0.817SS**  cis-163.6178.913.8-98.40000109.1
6R33.8Very low29.9Very low216 Ų216154.8 Ų154.882%0.81581%0.814SS**  cis175.3177.5-28.5-162.8178.6-167-151.25.9106
7I32.7Very low29.9Very low148 Ų148159.5 Ų159.576%0.75982%0.818SS**  trans71137.2168.5-67166.2000113
8L31.6Very low29.8Very low159 Ų159155.2 Ų155.283%0.83282%0.82SS**  cis-147.5169.1-10.6-102.8165.1000106.6
9G25.9Very low29.6Very low58 Ų58151.2 Ų151.260%0.59882%0.82SS**  cis133.9112.8-10.400000115.1
10L27.9Very low29.6Very low183 Ų183149.7 Ų149.796%0.95882%0.822SS**  trans-166.7166.9141.9-106169.9000110.6
11R30.7Very low30.1Very low233 Ų233149 Ų14988%0.87982%0.824SS**  trans-115.4157.5-164.5-76.2-177.4173.9-177-1.4114.2
12P36.7Very low30Very low130 Ų130141.9 Ų141.984%0.84481%0.809SS**  trans-83.7162.2171.935.6-36.3000113.4
13A28.7Very low30.2Very low104 Ų104138.9 Ų138.986%0.8681%0.808SS**  trans-124.1166.8167.400000111.1
14R28.9Very low30.3Very low228 Ų228139.5 Ų139.586%0.8682%0.815SS**  trans-157.6170.6-167.5-157.7-170-160.8-164.68.3109.3
15I29.6Very low30.4Very low136 Ų136140.6 Ų140.670%0.69782%0.82SS**  trans80138.1164.1-58.5172.1000113.1
16H28.6Very low30.5Very low168 Ų168140.7 Ų140.778%0.77882%0.821SS**  cis-140.5-163.92.6-132.6-14.6000115.8
17R30.3Very low30.9Very low234 Ų234136.9 Ų136.988%0.88382%0.824SS**  trans-88.1163.3-176.3-58.8167168.5173.9-6113.7
18G26.5Very low30.7Very low82 Ų82133.2 Ų133.285%0.84582%0.823SS**  trans153.4131.5141.500000116.5
19G26.7Very low31.4Very low80 Ų80131.4 Ų131.483%0.82582%0.821SS**  trans125.4115.5159.700000118.1
20S30.1Very low31.7Very low121 Ų121134.6 Ų134.685%0.84683%0.834SS**  trans-142.9145.1154.6-55.60000105.7
21P38.7Very low31.8Very low136 Ų136130.9 Ų130.988%0.88382%0.823SS**  -131.2-170.571.113.611.9000112.1
22G29.9Very low31.9Very low76 Ų76126 Ų12678%0.78482%0.823SS**  cis137.356.4-4.800000115.3
23A30.9Very low31.9Very low105 Ų105128.4 Ų128.487%0.86882%0.823SS**  trans-163.8154.616300000108.4
24G29.1Very low32.4Very low72 Ų72131 Ų13174%0.74282%0.822SS**  cis124.483.6-3.800000113.2
25L30.7Very low32.9Very low179 Ų179129.2 Ų129.294%0.93782%0.824SS**  trans-165.9159.2165.2-109.7162.5000112.1
26S31.8Very low33.5Very low107 Ų107124.9 Ų124.975%0.74881%0.813SS**  trans-100.9165.6-167.2-61.80000113.4
27P42.3Very low34.7Very low136 Ų136121.1 Ų121.188%0.88381%0.811SS**  trans-79.3150.9-174.832.2-36.2000114.1
28G29.7Very low35.8Very low71 Ų71113.4 Ų113.473%0.73279%0.793SS**  trans-125.6149.2169.800000111.8
29P46.5Very low36.9Very low121 Ų121113.1 Ų113.179%0.78678%0.778SS**  trans-95.8172.1-173.537.9-36.7000114.6
30S31.7Very low38.2Very low124 Ų124119.1 Ų119.187%0.86778%0.776SS**  trans73153.817684.10000115.7
31S29.8Very low39.5Very low106 Ų106119.6 Ų119.674%0.74177%0.766SS**  cis-137.9166.64.869.90000112.6
32C33.8Very low40.4Very low129 Ų129121.1 Ų121.187%0.87276%0.756SS**  trans-108.2126.9172.8-67.80000110.3
33Q35.8Very low41.9Very low182 Ų182120.8 Ų120.885%0.8574%0.74SS**  trans-138.1126.5159.5-73.4-160.8-6.800113
34N38.8Very low43.6Very low157 Ų157118.1 Ų118.184%0.8472%0.718SS**  trans28.3108.5155.3-66.4-15.3000120.9
35Q39.1Very low45.4Very low191 Ų191117.9 Ų117.989%0.89371%0.705SS**  trans-136.4136.4130-70.8-1644.400111.7
36G43.3Very low47Very low46 Ų46114.4 Ų114.447%0.47469%0.687SS.*  trans56.396.7153.500000119.7S38 S39G36-S38 PolarHBondContact O-N 2.95Å; G36-S39 PolarHBondContact O-N 3.18Å; G36-S39 VanDerWaalsContact O-N 3.13Å
37A52.8Low48.6Very low89 Ų89114.5 Ų114.574%0.73668%0.678SS**Hα-helixtrans-55.8-32.3166.800000113.3S39 R40A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.07Å; A37-R40 PolarHBondContact O-N 3.23Å
38S53.1Low49.8Very low72 Ų72113 Ų11350%0.50366%0.662SS.*Hα-helixtrans-58-40.8176-173.70000113G36 R40 M41 Y42G36-S38 PolarHBondContact O-N 2.95Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 2.78Å; S38-M41 WeakPolarHBondContact O-CB 3.36Å; S38-M41 PolarHBondContact O-N 3.47Å; S38-M41 VanDerWaalsContact O-N 3.08Å; S38-Y42 WeakPolarHBondContact O-CD2 3.27Å; S38-Y42 PolarHBondContact O-N 2.99Å
39S51.2Low51.3Low76 Ų76115 Ų11553%0.53166%0.656SS.*Hα-helixtrans-62-37.5-178.7-176.40000112.5G36 A37 M41 Y42 C43G36-S39 PolarHBondContact O-N 3.18Å; G36-S39 VanDerWaalsContact O-N 3.13Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.07Å; S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 2.9Å; S39-Y42 PolarHBondContact O-N 3.32Å; S39-C43 PolarHBondContact O-N 2.99Å; S39-C43 VanDerWaalsContact O-N 3.08Å
40R54.3Low51.9Low205 Ų205115.4 Ų115.477%0.77465%0.65SS**Hα-helixtrans-63.1-33.5176.5-67.3-174.9175.3-174.4-1.9112.4A37 S38 A44A37-R40 PolarHBondContact O-N 3.23Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 2.78Å; R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.41Å; R40-A44 PolarHBondContact O-N 2.95Å
41M56.3Low53.3Low132 Ų132116 Ų11665%0.6564%0.643SS**Hα-helixtrans-73.6-39.1-179.4-157.9153.565.500111.7S38 S39 A44 C45S38-M41 WeakPolarHBondContact O-CB 3.36Å; S38-M41 PolarHBondContact O-N 3.47Å; S38-M41 VanDerWaalsContact O-N 3.08Å; S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 2.9Å; M41-A44 PolarHBondContact O-N 3.49Å; M41-C45 PolarHBondContact O-N 2.61Å; M41-C45 PolarHBondContact O-SG 3.39Å; M41-C45 VanDerWaalsContact O-SG 3.4Å
42Y58.6Low54.4Low167 Ų167116 Ų11666%0.65564%0.638SS**Hα-helixtrans-63.5-44.6171.2-77.8-77.6000112.6S38 S39 A44 C45 L46S38-Y42 WeakPolarHBondContact O-CD2 3.27Å; S38-Y42 PolarHBondContact O-N 2.99Å; S39-Y42 PolarHBondContact O-N 3.32Å; Y42-A44 VanDerWaalsContact C-N 3.34Å; Y42-A44 PolarHBondContact O-N 3.09Å; Y42-C45 PolarHBondContact O-N 3.01Å; Y42-L46 WeakPolarHBondContact O-CG 3.06Å; Y42-L46 PolarHBondContact O-N 3.2Å
43C60Low55.3Low69 Ų69114 Ų11447%0.46662%0.622SS.*Hα-helixtrans-63-38.8175-72.70000112.6S39 L46 L47S39-C43 PolarHBondContact O-N 2.99Å; S39-C43 VanDerWaalsContact O-N 3.08Å; C43-L46 PolarHBondContact O-N 2.92Å; C43-L47 WeakPolarHBondContact O-CB 3.35Å; C43-L47 PolarHBondContact O-N 2.87Å
44A67.4Low55.8Low49 Ų49110.3 Ų110.341%0.40561%0.614SS.*Hα-helixtrans-64.9-43.9175.500000112.1R40 M41 Y42 L47 L48R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.41Å; R40-A44 PolarHBondContact O-N 2.95Å; M41-A44 PolarHBondContact O-N 3.49Å; Y42-A44 VanDerWaalsContact C-N 3.34Å; Y42-A44 PolarHBondContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 2.92Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.77Å
45C66.1Low56.4Low68 Ų68113.4 Ų113.446%0.45961%0.614SS.*Hα-helixtrans-64.5-38.4175.6-72.60000112.6M41 Y42 L48 L49M41-C45 PolarHBondContact O-N 2.61Å; M41-C45 PolarHBondContact O-SG 3.39Å; M41-C45 VanDerWaalsContact O-SG 3.4Å; Y42-C45 PolarHBondContact O-N 3.01Å; C45-L48 PolarHBondContact O-N 2.9Å; C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.4Å; C45-L49 PolarHBondContact O-N 3.2Å
46L65.3Low56.8Low106 Ų106109.9 Ų109.956%0.55561%0.605SS**Hα-helixtrans-66.8-40.3175.1-78.4164.9000112.4Y42 C43 L49 L50Y42-L46 WeakPolarHBondContact O-CG 3.06Å; Y42-L46 PolarHBondContact O-N 3.2Å; C43-L46 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 2.82Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.49Å
47L65.4Low57.2Low109 Ų109114.6 Ų114.657%0.57162%0.619SS**Hα-helixtrans-65.3-41.4172.8-89.5158.4000112.2C43 A44 L50 L51C43-L47 WeakPolarHBondContact O-CB 3.35Å; C43-L47 PolarHBondContact O-N 2.87Å; A44-L47 PolarHBondContact O-N 2.92Å; L47-L50 PolarHBondContact O-N 3.13Å; L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.15Å
48L66.4Low57Low103 Ų103112.2 Ų112.254%0.53960%0.598SS.*Hα-helixtrans-63.6-41.7174.2-90.5159.5000112.2A44 C45 L50 L51 V52A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.77Å; C45-L48 PolarHBondContact O-N 2.9Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.92Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L48-V52 WeakPolarHBondContact O-CB 3.02Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.25Å; L48-V52 PolarHBondContact O-N 3.24Å
49L61.4Low57Low115 Ų115112.9 Ų112.960%0.60260%0.602SS**Hα-helixtrans-60.1-42.7173.9-78.1164.1000111.8C45 L46 L51 V52 T53C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.4Å; C45-L49 PolarHBondContact O-N 3.2Å; L46-L49 PolarHBondContact O-N 2.82Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.44Å; L49-V52 PolarHBondContact O-N 2.02Å; L49-T53 WeakPolarHBondContact O-CG2 3.15Å; L49-T53 PolarHBondContact O-N 3.16Å
50L60.3Low56.8Low128 Ų128119 Ų11967%0.6761%0.614SS**Hα-helixtrans-70.5-18.7176-70.2169000114.2L46 L47 L48 T53L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.49Å; L47-L50 PolarHBondContact O-N 3.13Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.92Å; L50-T53 PolarHBondContact O-OG1 3.39Å
51L60.3Low56.4Low136 Ų136119.2 Ų119.271%0.71262%0.615SS**Hα-helixtrans-91.3-21.4173.4-71.3167.6000113L47 L48 L49L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.15Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.44Å
52V53Low55.9Low107 Ų107121 Ų12165%0.64862%0.615SS**Hα-helixtrans-104.3-12.3-177.1176.70000112.6L48 L49 P54L48-V52 WeakPolarHBondContact O-CB 3.02Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.25Å; L48-V52 PolarHBondContact O-N 3.24Å; L49-V52 PolarHBondContact O-N 2.02Å; V52-P54 VanDerWaalsContact O-CD 3.29Å; V52-P54 WeakPolarHBondContact O-CD 3.44Å; V52-P54 VanDerWaalsContact O-N 3.14Å
53T52Low55.5Low87 Ų87118.6 Ų118.653%0.53461%0.613SS.*SBendtrans-57117.9158.845.40000108.8L49 L50 R55L49-T53 WeakPolarHBondContact O-CG2 3.15Å; L49-T53 PolarHBondContact O-N 3.16Å; L50-T53 PolarHBondContact O-OG1 3.39Å; T53-R55 PolarHBondContact O-N 2.87Å
54P46.9Very low55.1Low104 Ų104118.8 Ų118.868%0.67563%0.626SS**  trans-61.3136173.426.6-33.4000108.4V52 V56V52-P54 VanDerWaalsContact O-CD 3.29Å; V52-P54 WeakPolarHBondContact O-CD 3.44Å; V52-P54 VanDerWaalsContact O-N 3.14Å; P54-V56 PolarHBondContact O-N 3.02Å
55R51.1Low54.1Low223 Ų223120 Ų12084%0.84264%0.636SS**  trans-60.5112.9163.3-74.7-174.9-179.3149.22.7106.9T53 D57T53-R55 PolarHBondContact O-N 2.87Å; R55-D57 PolarHBondContact O-N 3.44Å
56V48.7Very low53.6Low116 Ų116120.6 Ų120.670%0.70363%0.634SS**  trans-78.471178.3-171.20000108.2P54 S58P54-V56 PolarHBondContact O-N 3.02Å; V56-S58 PolarHBondContact O-N 3.13Å
57D51.6Low53.6Low145 Ų145117.6 Ų117.678%0.77563%0.629SS**  trans-7262.5174.6-80.9-49.4000110.4R55R55-D57 PolarHBondContact O-N 3.44Å
58S47.5Very low53.9Low40 Ų40113.9 Ų113.928%0.2861%0.614SS.*  trans-155.152.8174.351.50000112.1V56 W60 W61V56-S58 PolarHBondContact O-N 3.13Å; S58-W60 PolarHBondContact O-N 2.96Å; S58-W61 PolarHBondContact O-N 3.02Å; S58-W61 VanDerWaalsContact O-N 3.15Å
59S53.3Low54.3Low85 Ų85117.5 Ų117.559%0.59462%0.62SS**THydrogen-bonded Turntrans-51.8-16.1166.2520000114.1W61 Y62S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 3.17Å; S59-Y62 WeakPolarHBondContact O-CB 3.4Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.08Å
60W48.1Very low55.1Low206 Ų206115.1 Ų115.178%0.7861%0.61SS**Hα-helixtrans-51.1-36.8170.8-67.170.9000113.9S58 Y62 I63S58-W60 PolarHBondContact O-N 2.96Å; W60-Y62 VanDerWaalsContact C-N 3.26Å; W60-Y62 PolarHBondContact O-N 2.83Å; W60-I63 WeakPolarHBondContact O-CB 3.44Å; W60-I63 PolarHBondContact O-N 3.12Å; W60-I63 VanDerWaalsContact O-N 3.11Å
61W45.2Very low56.2Low209 Ų209113.6 Ų113.679%0.79260%0.602SS**Hα-helixtrans-62.6-32.4177.1-73101.9000112.9S58 S59 I63S58-W61 PolarHBondContact O-N 3.02Å; S58-W61 VanDerWaalsContact O-N 3.15Å; S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 3.17Å; W61-I63 VanDerWaalsContact C-N 3.34Å
62Y45.3Very low57.3Low170 Ų170107.2 Ų107.267%0.66757%0.568SS**Hα-helixtrans-72-26.4176.1-88.3-86.8000112.9S59 W60 G64 A65 L66S59-Y62 WeakPolarHBondContact O-CB 3.4Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.08Å; W60-Y62 VanDerWaalsContact C-N 3.26Å; W60-Y62 PolarHBondContact O-N 2.83Å; Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 2.91Å; Y62-A65 PolarHBondContact O-N 2.92Å; Y62-L66 VanDerWaalsContact O-CG 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.42Å
63I51.2Low58.8Low116 Ų116105.3 Ų105.360%0.59556%0.555SS**Hα-helixtrans-65.6-33.4-179.9-56.9179.2000110.9W60 W61W60-I63 WeakPolarHBondContact O-CB 3.44Å; W60-I63 PolarHBondContact O-N 3.12Å; W60-I63 VanDerWaalsContact O-N 3.11Å; W61-I63 VanDerWaalsContact C-N 3.34Å
64G50.1Low60.2Low72 Ų72106.9 Ų106.974%0.74256%0.56SS**Hα-helixtrans-75.3-25.5171.400000114.4Y62Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 2.91Å
65A46.8Very low61.9Low74 Ų74104.5 Ų104.561%0.61254%0.541SS*.Hα-helixtrans-89.4-22.2-176.100000114.1Y62 G67Y62-A65 PolarHBondContact O-N 2.92Å; A65-G67 PolarHBondContact O-N 2.69Å
66L55.4Low63.4Low82 Ų8297.8 Ų97.843%0.42953%0.526SS..SBendtrans-74.663.4174-67.6170.6000111Y62 V70 I71Y62-L66 VanDerWaalsContact O-CG 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.42Å; L66-V70 HydrophobicContact CB-CB 4.48Å; L66-V70 HydrophobicContact CD2-CB 4.41Å; L66-V70 HydrophobicContact CD2-CG1 4Å; L66-I71 WeakPolarHBondContact O-CD1 2.95Å
67G65.8Low64.8Low43 Ų4394 Ų9444%0.44351%0.511SS..  trans-51.6147.1-173.700000113.2A65 R69 V70A65-G67 PolarHBondContact O-N 2.69Å; G67-R69 CarbonylContact O-C 3.55Å; G67-R69 PolarHBondContact O-N 2.9Å; G67-V70 PolarHBondContact O-N 3.11Å
68A72.3Confident66.5Low31 Ų3188.4 Ų88.426%0.25648%0.481SS..THydrogen-bonded Turntrans-20.9-48.1-169.300000117.4V70 I71 C72 P90A68-V70 PolarHBondContact O-N 2.91Å; A68-I71 PolarHBondContact O-N 2.79Å; A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.82Å; A68-C72 PolarHBondContact O-SG 2.6Å; A68-P90 HydrophobicContact CB-CB 3.68Å; A68-P90 HydrophobicContact CB-CG 3.85Å
69R74.9Confident68.5Low179 Ų17988.7 Ų88.768%0.67548%0.481SS*.Hα-helixtrans-49.4-49175.4-171.4172.6-176.2170.7-0.1113.8G67 I71 C72 D73 Q87G67-R69 CarbonylContact O-C 3.55Å; G67-R69 PolarHBondContact O-N 2.9Å; R69-I71 PolarHBondContact O-N 2.89Å; R69-C72 PolarHBondContact O-N 2.79Å; R69-D73 WeakPolarHBondContact CG-OD2 3.46Å; R69-D73 VanDerWaalsContact O-CB 3.3Å; R69-D73 WeakPolarHBondContact O-CB 3.36Å; R69-D73 PolarHBondContact O-N 2.97Å; R69-Q87 HydrophobicContact CB-CG 4.49Å; R69-Q87 HydrophobicContact CG-CG 4.38Å
70V78.3Confident70.3Confident64 Ų6490.7 Ų90.739%0.38849%0.485SS..Hα-helixtrans-67.6-38.9-177.2-170.80000111.2L66 G67 A68 N74L66-V70 HydrophobicContact CB-CB 4.48Å; L66-V70 HydrophobicContact CD2-CB 4.41Å; L66-V70 HydrophobicContact CD2-CG1 4Å; G67-V70 PolarHBondContact O-N 3.11Å; A68-V70 PolarHBondContact O-N 2.91Å; V70-N74 WeakPolarHBondContact O-CB 3.26Å; V70-N74 PolarHBondContact O-N 2.85Å; V70-N74 PolarHBondContact O-ND2 2.89Å
71I81.8Confident72.3Confident96 Ų9686.1 Ų86.149%0.49247%0.47SS..Hα-helixtrans-61.2-55.3173-62.8165.7000109.4L66 A68 R69 D73 N74 I75L66-I71 WeakPolarHBondContact O-CD1 2.95Å; A68-I71 PolarHBondContact O-N 2.79Å; R69-I71 PolarHBondContact O-N 2.89Å; I71-D73 VanDerWaalsContact C-N 3.26Å; I71-D73 PolarHBondContact O-N 2.89Å; I71-N74 PolarHBondContact O-N 2.88Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.09Å; I71-I75 VanDerWaalsContact O-N 3.14Å
72C84Confident74.4Confident2 Ų276.8 Ų76.81%0.01444%0.436CS..Hα-helixtrans-60.9-28.8-177.8-68.10000114.7A68 R69 R83 C86 Q87A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.82Å; A68-C72 PolarHBondContact O-SG 2.6Å; R69-C72 PolarHBondContact O-N 2.79Å; C72-R83 PolarHBondContact O-NH1 2.88Å; C72-C86 WeakPolarHBondContact CA-SG 3.23Å; C72-C86 HydrophobicContact CB-CB 3.72Å; C72-C86 WeakPolarHBondContact CB-SG 3.13Å; C72-C86 WeakPolarHBondContact SG-CB 3.39Å; C72-C86 PolarHBondContact SG-O 3.47Å; C72-C86 CovalentContact SG-SG 2.03Å; C72-C86 PolarHBondContact SG-SG 3.3Å; C72-Q87 HydrophobicContact CB-CG 3.89Å; C72-Q87 PolarHBondContact SG-N 2.82Å; C72-Q87 VanDerWaalsContact SG-N 3.38Å
73D83.9Confident76.6Confident67 Ų6770.9 Ų70.936%0.35841%0.412SS..Hα-helixtrans-84.4-21.1178.3-66.6-17.3000112.1R69 I71 R83 Q87R69-D73 WeakPolarHBondContact CG-OD2 3.46Å; R69-D73 VanDerWaalsContact O-CB 3.3Å; R69-D73 WeakPolarHBondContact O-CB 3.36Å; R69-D73 PolarHBondContact O-N 2.97Å; I71-D73 VanDerWaalsContact C-N 3.26Å; I71-D73 PolarHBondContact O-N 2.89Å; D73-R83 VanDerWaalsContact C-NH1 3.33Å; D73-R83 PolarHBondContact O-NH1 3.5Å; D73-Q87 PolarHBondContact OD1-NE2 3.48Å; D73-Q87 PolarHBondContact OD2-NE2 2.93Å
74N83.3Confident78.5Confident121 Ų12170.5 Ų70.565%0.64741%0.408SS*.Hα-helixtrans-92.3-14.3175-77.9-77.5000115.1V70 I71 P76V70-N74 WeakPolarHBondContact O-CB 3.26Å; V70-N74 PolarHBondContact O-N 2.85Å; V70-N74 PolarHBondContact O-ND2 2.89Å; I71-N74 PolarHBondContact O-N 2.88Å; N74-P76 WeakPolarHBondContact O-CD 3.13Å
75I81.9Confident80.4Confident53 Ų5368 Ų6827%0.27238%0.377SS..SBendtrans-61.5122.5174-59.9168.1000109.1I71 L78 R83 M93I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.09Å; I71-I75 VanDerWaalsContact O-N 3.14Å; I75-L78 HydrophobicContact CB-CD1 3.82Å; I75-L78 HydrophobicContact CB-CG 4.06Å; I75-L78 HydrophobicContact CD1-CD1 3.94Å; I75-L78 HydrophobicContact CG1-CD1 4.47Å; I75-L78 HydrophobicContact CG2-CD1 3.85Å; I75-L78 HydrophobicContact CG2-CD2 4.39Å; I75-L78 HydrophobicContact CG2-CG 3.71Å; I75-R83 VanDerWaalsContact O-CZ 3.3Å; I75-R83 PolarHBondContact O-NH1 2.68Å; I75-R83 PolarHBondContact O-NH2 3.31Å; I75-M93 HydrophobicContact CD1-CE 4.26Å
76P81.3Confident82.5Confident82 Ų8264.5 Ų64.553%0.53235%0.349SS..THydrogen-bonded Turntrans-73154.9-179.631.9-36.4000111.3N74 L78 H125N74-P76 WeakPolarHBondContact O-CD 3.13Å; P76-L78 PolarHBondContact O-N 2.93Å; P76-L78 VanDerWaalsContact O-N 3.08Å; P76-H125 HydrophobicContact CB-CB 3.96Å; P76-H125 HydrophobicContact CG-CB 4.06Å
77G80.1Confident84.2Confident38 Ų3864 Ų6439%0.39234%0.344SS..THydrogen-bonded Turntrans74.6-11.8175.100000117.2
78L85.6Confident85.3Confident27 Ų2769.5 Ų69.514%0.14135%0.351CS..  trans-70.7134.5173.5-63.8-169.3000112.1I75 P76 Q82 R83 F202I75-L78 HydrophobicContact CB-CD1 3.82Å; I75-L78 HydrophobicContact CB-CG 4.06Å; I75-L78 HydrophobicContact CD1-CD1 3.94Å; I75-L78 HydrophobicContact CG1-CD1 4.47Å; I75-L78 HydrophobicContact CG2-CD1 3.85Å; I75-L78 HydrophobicContact CG2-CD2 4.39Å; I75-L78 HydrophobicContact CG2-CG 3.71Å; P76-L78 PolarHBondContact O-N 2.93Å; P76-L78 VanDerWaalsContact O-N 3.08Å; L78-Q82 HydrophobicContact CB-CB 4.15Å; L78-Q82 HydrophobicContact CD2-CB 4.09Å; L78-Q82 HydrophobicContact CG-CB 4.48Å; L78-R83 HydrophobicContact CB-CG 3.9Å; L78-R83 HydrophobicContact CD1-CG 4.49Å; L78-R83 PolarHBondContact O-NE 2.92Å; L78-R83 VanDerWaalsContact O-NE 3.16Å; L78-R83 PolarHBondContact O-NH2 3.19Å; L78-F202 HydrophobicContact CD2-CZ 4.04Å
79V89.8Confident86.1Confident45 Ų4569.5 Ų69.527%0.27335%0.346SS..  trans-84.2160.4171.1-56.10000111.5K81 Q82 R83 K206V79-K81 PolarHBondContact O-N 2.67Å; V79-Q82 HydrophobicContact CG2-CB 4.3Å; V79-Q82 HydrophobicContact CG2-CG 3.9Å; V79-Q82 VanDerWaalsContact N-OE1 3.07Å; V79-Q82 WeakPolarHBondContact O-CA 3.47Å; V79-Q82 WeakPolarHBondContact O-CB 3.11Å; V79-Q82 PolarHBondContact O-N 2.63Å; V79-R83 PolarHBondContact O-N 3.46Å; V79-K206 HydrophobicContact CG1-CB 4.33Å; V79-K206 HydrophobicContact CG1-CG 4.08Å
80N90.6Very high86.8Confident127 Ų12764 Ų6468%0.67933%0.334SS*.Hα-helixtrans-50.1-40.2-174.7-60.29.1000113.9Q82 R83 Q84N80-Q82 PolarHBondContact O-N 3.26Å; N80-R83 PolarHBondContact O-N 3.18Å; N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.46Å
81K90.1Very high87.3Confident110 Ų11062.9 Ų62.948%0.47833%0.325SS..Hα-helixtrans-66.4-34.1176.7-177.9172175.2-179.90113.2V79 L85 A205V79-K81 PolarHBondContact O-N 2.67Å; K81-L85 WeakPolarHBondContact O-CG 3.3Å; K81-L85 PolarHBondContact O-N 2.63Å; K81-A205 HydrophobicContact CB-CB 4.25Å; K81-A205 HydrophobicContact CD-CB 3.87Å; K81-A205 HydrophobicContact CG-CB 4Å
82Q91.1Very high87.7Confident13 Ų1358.3 Ų58.36%0.06130%0.302CS..Hα-helixtrans-72.5-39.7173.2-69.3170.9-34.400111.2L78 V79 N80 L85 C86 F202 A205L78-Q82 HydrophobicContact CB-CB 4.15Å; L78-Q82 HydrophobicContact CD2-CB 4.09Å; L78-Q82 HydrophobicContact CG-CB 4.48Å; V79-Q82 HydrophobicContact CG2-CB 4.3Å; V79-Q82 HydrophobicContact CG2-CG 3.9Å; V79-Q82 VanDerWaalsContact N-OE1 3.07Å; V79-Q82 WeakPolarHBondContact O-CA 3.47Å; V79-Q82 WeakPolarHBondContact O-CB 3.11Å; V79-Q82 PolarHBondContact O-N 2.63Å; N80-Q82 PolarHBondContact O-N 3.26Å; Q82-L85 PolarHBondContact O-N 3.14Å; Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.24Å; Q82-F202 HydrophobicContact CB-CD2 4.22Å; Q82-F202 HydrophobicContact CB-CE2 3.68Å; Q82-F202 HydrophobicContact CB-CZ 4.15Å; Q82-F202 HydrophobicContact CG-CD2 4.09Å; Q82-F202 HydrophobicContact CG-CE2 3.91Å; Q82-F202 HydrophobicContact CG-CZ 4.23Å; Q82-F202 WeakPolarHBondContact CG-O 3.41Å; Q82-F202 PolarHBondContact NE2-O 3.49Å; Q82-A205 HydrophobicContact CG-CB 3.94Å
83R91.1Very high88Confident46 Ų4659.6 Ų59.617%0.17431%0.308CS..Hα-helixtrans-60.7-45173.7-61.2-172.9-170.3-77.6-2.2111.5C72 D73 I75 L78 V79 N80 L85 C86 Q87C72-R83 PolarHBondContact O-NH1 2.88Å; D73-R83 VanDerWaalsContact C-NH1 3.33Å; D73-R83 PolarHBondContact O-NH1 3.5Å; I75-R83 VanDerWaalsContact O-CZ 3.3Å; I75-R83 PolarHBondContact O-NH1 2.68Å; I75-R83 PolarHBondContact O-NH2 3.31Å; L78-R83 HydrophobicContact CB-CG 3.9Å; L78-R83 HydrophobicContact CD1-CG 4.49Å; L78-R83 PolarHBondContact O-NE 2.92Å; L78-R83 VanDerWaalsContact O-NE 3.16Å; L78-R83 PolarHBondContact O-NH2 3.19Å; V79-R83 PolarHBondContact O-N 3.46Å; N80-R83 PolarHBondContact O-N 3.18Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.2Å; R83-C86 WeakPolarHBondContact O-CB 3.33Å; R83-C86 PolarHBondContact O-N 3.04Å; R83-Q87 WeakPolarHBondContact O-CB 3.04Å; R83-Q87 WeakPolarHBondContact O-CG 2.98Å; R83-Q87 PolarHBondContact O-N 2.78Å
84Q91.5Very high88.2Confident108 Ų10862.5 Ų62.551%0.50532%0.32SS..Hα-helixtrans-61.3-33.9174.3-73.1171.6-500113.8N80 R88N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.46Å; Q84-R88 WeakPolarHBondContact O-CB 3.31Å; Q84-R88 PolarHBondContact O-N 3.09Å
85L89.8Confident88.6Confident19 Ų1957.2 Ų57.210%0.09929%0.293CS..Hα-helixtrans-71.9-44.3174.1-73.2166.1000111.1K81 Q82 R83 R88 H89 F198 T201 F202K81-L85 WeakPolarHBondContact O-CG 3.3Å; K81-L85 PolarHBondContact O-N 2.63Å; Q82-L85 PolarHBondContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.2Å; L85-R88 PolarHBondContact O-N 2.89Å; L85-H89 WeakPolarHBondContact O-CB 3.43Å; L85-H89 PolarHBondContact O-CD2 2.97Å; L85-H89 PolarHBondContact O-N 3.25Å; L85-F198 HydrophobicContact CB-CZ 4.46Å; L85-T201 HydrophobicContact CD1-CG2 4.26Å; L85-F202 HydrophobicContact CB-CD2 4.06Å; L85-F202 HydrophobicContact CD1-CB 4.16Å; L85-F202 HydrophobicContact CD1-CD2 3.94Å
86C90.1Very high89Confident2 Ų255.3 Ų55.31%0.01428%0.283CS..Hα-helixtrans-59.2-49.2175.2-179.60000111.7C72 Q82 R83 R88 H89 M93C72-C86 WeakPolarHBondContact CA-SG 3.23Å; C72-C86 HydrophobicContact CB-CB 3.72Å; C72-C86 WeakPolarHBondContact CB-SG 3.13Å; C72-C86 WeakPolarHBondContact SG-CB 3.39Å; C72-C86 PolarHBondContact SG-O 3.47Å; C72-C86 CovalentContact SG-SG 2.03Å; C72-C86 PolarHBondContact SG-SG 3.3Å; Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.24Å; R83-C86 WeakPolarHBondContact O-CB 3.33Å; R83-C86 PolarHBondContact O-N 3.04Å; C86-R88 VanDerWaalsContact C-N 3.25Å; C86-R88 PolarHBondContact O-N 3.07Å; C86-H89 CarbonylContact O-C 3.07Å; C86-H89 VanDerWaalsContact O-C 3.23Å; C86-H89 PolarHBondContact O-N 3.28Å; C86-H89 VanDerWaalsContact O-N 3.14Å; C86-M93 HydrophobicContact CB-CG 3.72Å; C86-M93 HydrophobicContact CB-SD 4.16Å
87Q90.7Very high89.3Confident71 Ų7153.4 Ų53.433%0.33228%0.278SS..Hα-helixtrans-59.1-34.5178.7-75169.9-0.700112.7R69 C72 D73 R83R69-Q87 HydrophobicContact CB-CG 4.49Å; R69-Q87 HydrophobicContact CG-CG 4.38Å; C72-Q87 HydrophobicContact CB-CG 3.89Å; C72-Q87 PolarHBondContact SG-N 2.82Å; C72-Q87 VanDerWaalsContact SG-N 3.38Å; D73-Q87 PolarHBondContact OD1-NE2 3.48Å; D73-Q87 PolarHBondContact OD2-NE2 2.93Å; R83-Q87 WeakPolarHBondContact O-CB 3.04Å; R83-Q87 WeakPolarHBondContact O-CG 2.98Å; R83-Q87 PolarHBondContact O-N 2.78Å
88R89.8Confident89.7Confident158 Ų15856.5 Ų56.560%0.59628%0.282SS*.Hα-helixtrans-83.9-25.1178.7-163.2-176.2-68.2104.8-1.1112.8Q84 L85 C86Q84-R88 WeakPolarHBondContact O-CB 3.31Å; Q84-R88 PolarHBondContact O-N 3.09Å; L85-R88 PolarHBondContact O-N 2.89Å; C86-R88 VanDerWaalsContact C-N 3.25Å; C86-R88 PolarHBondContact O-N 3.07Å
89H89.1Confident89.8Confident32 Ų3255.4 Ų55.415%0.14828%0.277CS..  trans-141.369.4-170.7-47.6-56.2000111.3L85 C86 I92 M93 L165L85-H89 WeakPolarHBondContact O-CB 3.43Å; L85-H89 PolarHBondContact O-CD2 2.97Å; L85-H89 PolarHBondContact O-N 3.25Å; C86-H89 CarbonylContact O-C 3.07Å; C86-H89 VanDerWaalsContact O-C 3.23Å; C86-H89 PolarHBondContact O-N 3.28Å; C86-H89 VanDerWaalsContact O-N 3.14Å; H89-I92 HydrophobicContact CB-CB 3.96Å; H89-I92 HydrophobicContact CB-CD1 3.82Å; H89-I92 HydrophobicContact CB-CG1 3.98Å; H89-I92 PolarHBondContact O-N 3.27Å; H89-M93 PolarHBondContact O-N 3.34Å; H89-L165 HydrophobicContact CB-CD1 3.97Å; H89-L165 WeakPolarHBondContact ND1-CD1 3.49Å
90P88.9Confident89.8Confident63 Ų6355 Ų5541%0.40928%0.275SS..Hα-helixtrans-71.1-30.9-177.328-34.9000113.3A68 M93 Q94A68-P90 HydrophobicContact CB-CB 3.68Å; A68-P90 HydrophobicContact CB-CG 3.85Å; P90-M93 WeakPolarHBondContact O-CB 3.32Å; P90-M93 PolarHBondContact O-N 2.8Å; P90-M93 VanDerWaalsContact O-N 3.13Å; P90-Q94 PolarHBondContact O-N 2.96Å
91D89.1Confident89.8Confident40 Ų4055 Ų5521%0.21427%0.269CS..Hα-helixtrans-58-47.9172.858.3-26.7000111.2M93 Q94 A95 L163 K164D91-M93 PolarHBondContact O-N 3.24Å; D91-Q94 PolarHBondContact O-N 2.84Å; D91-A95 PolarHBondContact O-N 3.22Å; D91-A95 VanDerWaalsContact O-N 3.14Å; D91-L163 VanDerWaalsContact C-CD2 3.4Å; D91-L163 HydrophobicContact CB-CD2 3.85Å; D91-L163 WeakPolarHBondContact O-CD2 3.43Å; D91-K164 PolarHBondContact OD2-N 3.22Å
92I90.4Very high90Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-58.6-35.5174.8-64.9-170.3000111.4H89 I96 L154 L163 L165 Y194 F198H89-I92 HydrophobicContact CB-CB 3.96Å; H89-I92 HydrophobicContact CB-CD1 3.82Å; H89-I92 HydrophobicContact CB-CG1 3.98Å; H89-I92 PolarHBondContact O-N 3.27Å; I92-I96 HydrophobicContact CG2-CD1 4.06Å; I92-I96 VanDerWaalsContact O-CG1 3.26Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.49Å; I92-L154 HydrophobicContact CB-CD2 4.43Å; I92-L154 HydrophobicContact CG2-CD1 4.18Å; I92-L154 HydrophobicContact CG2-CD2 3.62Å; I92-L163 HydrophobicContact CG1-CD1 4.27Å; I92-L163 HydrophobicContact CG1-CD2 4.05Å; I92-L165 HydrophobicContact CD1-CB 4.35Å; I92-L165 HydrophobicContact CD1-CD1 3.83Å; I92-L165 HydrophobicContact CG1-CD1 4.18Å; I92-Y194 VanDerWaalsContact CD1-OH 3.3Å; I92-Y194 WeakPolarHBondContact CD1-OH 3.27Å; I92-F198 HydrophobicContact CD1-CD2 4.08Å; I92-F198 HydrophobicContact CD1-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CD1 4.01Å; I92-F198 HydrophobicContact CG2-CD2 4.3Å; I92-F198 HydrophobicContact CG2-CE1 3.55Å; I92-F198 HydrophobicContact CG2-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CG 4.38Å; I92-F198 HydrophobicContact CG2-CZ 3.5Å; I92-F198 VanDerWaalsContact CG2-CZ 3.5Å
93M89.4Confident90.2Very high29 Ų2952.7 Ų52.714%0.14326%0.259CS..Hα-helixtrans-75.9-31.3-180-72.3-65-48.100113.6I75 C86 H89 P90 D91 I96 G97 F202I75-M93 HydrophobicContact CD1-CE 4.26Å; C86-M93 HydrophobicContact CB-CG 3.72Å; C86-M93 HydrophobicContact CB-SD 4.16Å; H89-M93 PolarHBondContact O-N 3.34Å; P90-M93 WeakPolarHBondContact O-CB 3.32Å; P90-M93 PolarHBondContact O-N 2.8Å; P90-M93 VanDerWaalsContact O-N 3.13Å; D91-M93 PolarHBondContact O-N 3.24Å; M93-I96 PolarHBondContact O-N 3.19Å; M93-I96 HydrophobicContact SD-CD1 3.96Å; M93-G97 PolarHBondContact O-N 3.06Å; M93-F202 HydrophobicContact CE-CE2 4.32Å; M93-F202 HydrophobicContact CE-CZ 3.82Å; M93-F202 HydrophobicContact SD-CD2 4.39Å; M93-F202 HydrophobicContact SD-CE1 4.39Å; M93-F202 HydrophobicContact SD-CE2 3.56Å; M93-F202 VanDerWaalsContact SD-CE2 3.56Å; M93-F202 HydrophobicContact SD-CZ 3.56Å; M93-F202 VanDerWaalsContact SD-CZ 3.56Å
94Q88Confident90.3Very high129 Ų12951.6 Ų51.660%0.60326%0.256SS*.Hα-helixtrans-63-50.3169.1179.8175.9-15.200110.5P90 D91 I96 G97 E98P90-Q94 PolarHBondContact O-N 2.96Å; D91-Q94 PolarHBondContact O-N 2.84Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.38Å; Q94-G97 WeakPolarHBondContact O-CA 3.25Å; Q94-G97 PolarHBondContact O-N 3.49Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.43Å; Q94-E98 PolarHBondContact NE2-OE1 2.04Å; Q94-E98 PolarHBondContact O-N 2.8Å
95A92.1Very high90.5Very high10 Ų1054.2 Ų54.28%0.08326%0.262CS..Hα-helixtrans-58.1-36.9177.100000112.8D91 G99 L154 A157 L163D91-A95 PolarHBondContact O-N 3.22Å; D91-A95 VanDerWaalsContact O-N 3.14Å; A95-G99 PolarHBondContact O-N 3.48Å; A95-L154 HydrophobicContact CB-CD2 4.12Å; A95-A157 HydrophobicContact CB-CB 3.93Å; A95-L163 HydrophobicContact CB-CD1 4.4Å; A95-L163 HydrophobicContact CB-CD2 4.2Å
96I91.1Very high90.9Very high13 Ų1353.7 Ų53.77%0.06726%0.259CS..Hα-helixtrans-64.7-43.3171.7-71.9167.7000111.8I92 M93 Q94 T100 V150 L154 F198 F202I92-I96 HydrophobicContact CG2-CD1 4.06Å; I92-I96 VanDerWaalsContact O-CG1 3.26Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.49Å; M93-I96 PolarHBondContact O-N 3.19Å; M93-I96 HydrophobicContact SD-CD1 3.96Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.38Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.4Å; I96-T100 PolarHBondContact O-N 2.97Å; I96-T100 PolarHBondContact O-OG1 2.89Å; I96-V150 HydrophobicContact CD1-CG1 4.22Å; I96-V150 HydrophobicContact CG1-CG1 4.15Å; I96-V150 HydrophobicContact CG2-CG2 4.36Å; I96-L154 HydrophobicContact CD1-CD1 4.25Å; I96-L154 HydrophobicContact CD1-CD2 4.42Å; I96-L154 HydrophobicContact CG1-CD1 4.3Å; I96-L154 HydrophobicContact CG1-CD2 3.93Å; I96-L154 HydrophobicContact CG1-CG 4.15Å; I96-F198 HydrophobicContact CD1-CE1 3.97Å; I96-F202 HydrophobicContact CD1-CD1 4.49Å
97G87.7Confident91.3Very high42 Ų4253.6 Ų53.643%0.43326%0.258SS..Hα-helixtrans-65.2-40.5179.500000113.1M93 Q94 T100M93-G97 PolarHBondContact O-N 3.06Å; Q94-G97 WeakPolarHBondContact O-CA 3.25Å; Q94-G97 PolarHBondContact O-N 3.49Å; G97-T100 PolarHBondContact O-N 3.14Å
98E87.4Confident91.5Very high102 Ų10253.2 Ų53.248%0.47726%0.256SS..Hα-helixtrans-70.9-50.4177.5-68.4178.3-158.300111.4Q94 T100 K101Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.43Å; Q94-E98 PolarHBondContact NE2-OE1 2.04Å; Q94-E98 PolarHBondContact O-N 2.8Å; E98-T100 PolarHBondContact O-N 2.04Å; E98-T100 VanDerWaalsContact O-N 3.16Å; E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 2.84Å; E98-K101 VanDerWaalsContact O-N 3.13Å
99G88.2Confident91.9Very high4 Ų448.5 Ų48.54%0.04124%0.241CC..Hα-helixtrans-63.4-16.9174.300000114.6A95 K101 E102 W103A95-G99 PolarHBondContact O-N 3.48Å; G99-K101 VanDerWaalsContact C-N 3.28Å; G99-K101 PolarHBondContact O-N 3.03Å; G99-E102 WeakPolarHBondContact O-CB 3.41Å; G99-E102 PolarHBondContact O-N 2.88Å; G99-E102 VanDerWaalsContact O-N 3.17Å; G99-W103 PolarHBondContact O-N 2.86Å
100T90.5Very high92.3Very high36 Ų3648 Ų4822%0.22124%0.239CC..Hα-helixtrans-64.8-32.9173.5-72.50000112.3I96 G97 E98 E102 W103 I104I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.4Å; I96-T100 PolarHBondContact O-N 2.97Å; I96-T100 PolarHBondContact O-OG1 2.89Å; G97-T100 PolarHBondContact O-N 3.14Å; E98-T100 PolarHBondContact O-N 2.04Å; E98-T100 VanDerWaalsContact O-N 3.16Å; T100-E102 PolarHBondContact O-N 3.41Å; T100-W103 HydrophobicContact CG2-CZ2 4.33Å; T100-I104 HydrophobicContact CG2-CD1 3.52Å; T100-I104 HydrophobicContact CG2-CG1 4.21Å; T100-I104 WeakPolarHBondContact O-CB 3.33Å; T100-I104 WeakPolarHBondContact O-CD1 3.43Å; T100-I104 WeakPolarHBondContact O-CG1 3.38Å; T100-I104 PolarHBondContact O-N 3.23Å
101K90.5Very high92.7Very high127 Ų12745 Ų4555%0.55222%0.22SC*.Hα-helixtrans-64.2-29174.9-60.8172.6-175.6169.70112.3E98 G99 R105E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 2.84Å; E98-K101 VanDerWaalsContact O-N 3.13Å; G99-K101 VanDerWaalsContact C-N 3.28Å; G99-K101 PolarHBondContact O-N 3.03Å; K101-R105 WeakPolarHBondContact O-CB 3Å; K101-R105 VanDerWaalsContact O-CD 3.28Å; K101-R105 WeakPolarHBondContact O-CD 3.43Å; K101-R105 WeakPolarHBondContact O-CG 3.26Å; K101-R105 PolarHBondContact O-N 3.44Å
102E93.1Very high93Very high55 Ų5548.8 Ų48.826%0.25723%0.231SC..Hα-helixtrans-73.8-50.4-177.2-168.7165.3-157.700111.7G99 T100 R105 E106 Y152 R156G99-E102 WeakPolarHBondContact O-CB 3.41Å; G99-E102 PolarHBondContact O-N 2.88Å; G99-E102 VanDerWaalsContact O-N 3.17Å; T100-E102 PolarHBondContact O-N 3.41Å; E102-R105 PolarHBondContact O-N 3.06Å; E102-E106 PolarHBondContact O-N 3.49Å; E102-Y152 WeakPolarHBondContact OE1-CE1 3.22Å; E102-R156 VanDerWaalsContact CD-NH1 3.29Å; E102-R156 IonicContact OE1-CZ 3.59Å; E102-R156 IonicContact OE1-NH1 3.66Å; E102-R156 PolarHBondContact OE1-NH1 3.25Å; E102-R156 IonicContact OE2-CZ 3.82Å; E102-R156 VanDerWaalsContact OE2-CZ 3.28Å; E102-R156 IonicContact OE2-NH1 2.78Å; E102-R156 PolarHBondContact OE2-NH1 3.43Å; E102-R156 IonicContact OE2-NH2 3.49Å; E102-R156 PolarHBondContact OE2-NH2 3.11Å
103W94.9Very high93.2Very high20 Ų2052.8 Ų52.88%0.07625%0.249CC..Hα-helixtrans-73.9-28.7-179.776.1-104000113.7G99 T100 E106 C107 F128 V142 I145 S146 F258G99-W103 PolarHBondContact O-N 2.86Å; T100-W103 HydrophobicContact CG2-CZ2 4.33Å; W103-E106 PolarHBondContact O-N 3.32Å; W103-C107 PolarHBondContact O-N 2.86Å; W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CZ 4.09Å; W103-F128 HydrophobicContact CZ2-CE2 4.36Å; W103-F128 AromaticContact CZ3-CE2 3.59Å; W103-F128 HydrophobicContact CZ3-CE2 3.59Å; W103-F128 AromaticContact CZ3-CZ 3.89Å; W103-F128 HydrophobicContact CZ3-CZ 3.89Å; W103-V142 HydrophobicContact CH2-CG1 4.31Å; W103-V142 HydrophobicContact CZ3-CG1 4.24Å; W103-I145 HydrophobicContact CB-CG1 4.49Å; W103-I145 HydrophobicContact CE3-CG2 3.81Å; W103-I145 HydrophobicContact CZ3-CG2 4.05Å; W103-S146 VanDerWaalsContact CH2-CB 3.4Å; W103-F258 HydrophobicContact CB-CE1 3.68Å; W103-F258 HydrophobicContact CB-CZ 3.85Å
104I94.6Very high93.5Very high23 Ų2353.8 Ų53.812%0.11825%0.253CS..Hα-helixtrans-63.4-48.3172.4-68.4172.9000110.2T100 E106 C107 Q108 T120 V127 F128T100-I104 HydrophobicContact CG2-CD1 3.52Å; T100-I104 HydrophobicContact CG2-CG1 4.21Å; T100-I104 WeakPolarHBondContact O-CB 3.33Å; T100-I104 WeakPolarHBondContact O-CD1 3.43Å; T100-I104 WeakPolarHBondContact O-CG1 3.38Å; T100-I104 PolarHBondContact O-N 3.23Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.26Å; I104-C107 WeakPolarHBondContact O-CB 3.07Å; I104-C107 PolarHBondContact O-N 3.25Å; I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.17Å; I104-T120 HydrophobicContact CG2-CG2 3.7Å; I104-V127 HydrophobicContact CD1-CG1 3.85Å; I104-F128 HydrophobicContact CG1-CE2 4.14Å; I104-F128 HydrophobicContact CG1-CZ 3.95Å; I104-F128 HydrophobicContact CG2-CZ 4.23Å
105R95.6Very high93.8Very high163 Ų16351.9 Ų51.962%0.61524%0.241SC*.Hα-helixtrans-59-38.3174.7-74.1168.2-175.6149.4-5.5111.7K101 E102 Q108 H109K101-R105 WeakPolarHBondContact O-CB 3Å; K101-R105 VanDerWaalsContact O-CD 3.28Å; K101-R105 WeakPolarHBondContact O-CD 3.43Å; K101-R105 WeakPolarHBondContact O-CG 3.26Å; K101-R105 PolarHBondContact O-N 3.44Å; E102-R105 PolarHBondContact O-N 3.06Å; R105-Q108 PolarHBondContact O-N 3.4Å; R105-H109 WeakPolarHBondContact O-CB 3.35Å; R105-H109 PolarHBondContact O-N 3.06Å
106E98.1Very high93.9Very high8 Ų852.1 Ų52.14%0.03724%0.239CC..Hα-helixtrans-67.9-41176.1-174.156.2-157.100112.2E102 W103 I104 Q108 H109 Q110 I145 F258 R259E102-E106 PolarHBondContact O-N 3.49Å; W103-E106 PolarHBondContact O-N 3.32Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.26Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.09Å; E106-H109 PolarHBondContact O-N 2.96Å; E106-Q110 HydrophobicContact CG-CG 4.39Å; E106-Q110 WeakPolarHBondContact O-CB 3.4Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.02Å; E106-Q110 PolarHBondContact O-N 3.09Å; E106-Q110 WeakPolarHBondContact OE1-CG 3.5Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; E106-I145 HydrophobicContact CG-CD1 4.23Å; E106-F258 HydrophobicContact CB-CD1 3.77Å; E106-F258 HydrophobicContact CB-CE1 3.81Å; E106-F258 HydrophobicContact CG-CD1 3.77Å; E106-F258 HydrophobicContact CG-CE1 3.89Å; E106-R259 VanDerWaalsContact CD-NE 3.27Å; E106-R259 WeakPolarHBondContact OE1-CD 3.32Å; E106-R259 IonicContact OE1-CZ 3.61Å; E106-R259 IonicContact OE1-NE 2.85Å; E106-R259 PolarHBondContact OE1-NE 2.76Å; E106-R259 IonicContact OE2-CZ 2.91Å; E106-R259 IonicContact OE2-NE 2.79Å; E106-R259 PolarHBondContact OE2-NE 3.03Å; E106-R259 IonicContact OE2-NH2 2.85Å; E106-R259 PolarHBondContact OE2-NH2 3.36Å
107C97.5Very high94Very high0 Ų053.9 Ų53.90%025%0.249CC..Hα-helixtrans-60.2-44.3173.5-169.20000111.6W103 I104 Q110 F111 C118 F141 I145W103-C107 PolarHBondContact O-N 2.86Å; I104-C107 WeakPolarHBondContact O-CB 3.07Å; I104-C107 PolarHBondContact O-N 3.25Å; C107-Q110 PolarHBondContact O-N 3.37Å; C107-F111 WeakPolarHBondContact O-CD2 3.49Å; C107-F111 PolarHBondContact O-N 2.95Å; C107-F111 VanDerWaalsContact O-N 3.11Å; C107-C118 HydrophobicContact CB-CB 3.92Å; C107-C118 WeakPolarHBondContact CB-SG 3.46Å; C107-C118 WeakPolarHBondContact SG-CB 3.09Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.9Å; C107-F141 HydrophobicContact CB-CE1 4.12Å; C107-F141 VanDerWaalsContact SG-CE1 3.58Å; C107-I145 HydrophobicContact CB-CG2 4.22Å
108Q96.3Very high94.3Very high63 Ų6351.9 Ų51.929%0.29423%0.228SC..Hα-helixtrans-62.9-43.2174.3-71.4168.6-5.900111.7I104 R105 E106 Q110 F111 R112 C118I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.17Å; R105-Q108 PolarHBondContact O-N 3.4Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.09Å; Q108-Q110 PolarHBondContact O-N 2.97Å; Q108-F111 CarbonylContact O-C 3.58Å; Q108-F111 PolarHBondContact O-N 3.37Å; Q108-R112 WeakPolarHBondContact O-CA 3.1Å; Q108-R112 WeakPolarHBondContact O-CB 2.8Å; Q108-R112 PolarHBondContact O-N 2.75Å; Q108-C118 HydrophobicContact CG-CB 4.34Å; Q108-C118 WeakPolarHBondContact CG-O 3.48Å; Q108-C118 PolarHBondContact NE2-O 3.46Å
109H97.6Very high94.2Very high60 Ų6048.4 Ų48.428%0.27822%0.216SC..Hα-helixtrans-58.9-47.2174.9-178.187.1000111.7R105 E106 F111 R112 R259R105-H109 WeakPolarHBondContact O-CB 3.35Å; R105-H109 PolarHBondContact O-N 3.06Å; E106-H109 PolarHBondContact O-N 2.96Å; H109-F111 PolarHBondContact O-N 2.77Å; H109-R112 PolarHBondContact CD2-NH1 3.36Å; H109-R112 VanDerWaalsContact CD2-NH1 3.33Å; H109-R112 PolarHBondContact CE1-NH1 3.39Å; H109-R112 PolarHBondContact NE2-NH1 3.23Å; H109-R112 WeakPolarHBondContact O-CD 3.31Å; H109-R112 WeakPolarHBondContact O-CG 3.32Å; H109-R112 PolarHBondContact O-NH1 3.4Å; H109-R259 VanDerWaalsContact CD2-CZ 3.4Å; H109-R259 PolarHBondContact CD2-NE 2.81Å; H109-R259 PolarHBondContact NE2-NH1 2.75Å
110Q98.1Very high93.9Very high21 Ų2150.4 Ų50.410%0.09823%0.227CC..Hα-helixtrans-69.1-16.6-179.4-68-62.6-23.700113.5E106 C107 Q108 F141 D263 R266E106-Q110 HydrophobicContact CG-CG 4.39Å; E106-Q110 WeakPolarHBondContact O-CB 3.4Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.02Å; E106-Q110 PolarHBondContact O-N 3.09Å; E106-Q110 WeakPolarHBondContact OE1-CG 3.5Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; C107-Q110 PolarHBondContact O-N 3.37Å; Q108-Q110 PolarHBondContact O-N 2.97Å; Q110-F141 HydrophobicContact CB-CZ 4.15Å; Q110-F141 HydrophobicContact CG-CZ 4.31Å; Q110-D263 PolarHBondContact NE2-OD1 3.37Å; Q110-R266 HydrophobicContact CG-CB 4.45Å; Q110-R266 WeakPolarHBondContact O-CD 3.28Å; Q110-R266 PolarHBondContact O-NH1 3.2Å
111F96.9Very high93.2Very high1 Ų151.4 Ų51.40%0.00423%0.231CC..Hα-helixtrans-122.32.3-178-77.4-95.6000115C107 Q108 H109 H113 H114 W116 N117 C118 F141 Y269C107-F111 WeakPolarHBondContact O-CD2 3.49Å; C107-F111 PolarHBondContact O-N 2.95Å; C107-F111 VanDerWaalsContact O-N 3.11Å; Q108-F111 CarbonylContact O-C 3.58Å; Q108-F111 PolarHBondContact O-N 3.37Å; H109-F111 PolarHBondContact O-N 2.77Å; F111-H113 PolarHBondContact O-N 2.93Å; F111-H114 HydrophobicContact CD1-CB 3.97Å; F111-H114 PolarHBondContact O-N 3.22Å; F111-W116 HydrophobicContact CB-CE3 4.41Å; F111-W116 HydrophobicContact CB-CZ3 4.43Å; F111-W116 AromaticContact CD1-CE3 3.43Å; F111-W116 HydrophobicContact CD1-CE3 3.43Å; F111-W116 VanDerWaalsContact CD1-CE3 3.43Å; F111-W116 AromaticContact CD1-CZ3 3.61Å; F111-W116 HydrophobicContact CD1-CZ3 3.61Å; F111-W116 AromaticContact CD2-CZ3 3.94Å; F111-W116 HydrophobicContact CD2-CZ3 3.94Å; F111-W116 AromaticContact CE1-CE3 3.71Å; F111-W116 HydrophobicContact CE1-CE3 3.71Å; F111-W116 AromaticContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE2-CZ3 4.06Å; F111-W116 AromaticContact CG-CE3 3.89Å; F111-W116 HydrophobicContact CG-CE3 3.89Å; F111-W116 AromaticContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CZ-CE3 4.4Å; F111-W116 AromaticContact CZ-CZ3 3.94Å; F111-W116 HydrophobicContact CZ-CZ3 3.94Å; F111-N117 WeakPolarHBondContact O-CA 3.34Å; F111-C118 HydrophobicContact CB-CB 4.21Å; F111-F141 HydrophobicContact CD2-CD1 4.31Å; F111-F141 HydrophobicContact CD2-CE1 4.09Å; F111-F141 AromaticContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD2 4.17Å; F111-F141 AromaticContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE2 4.22Å; F111-F141 AromaticContact CE2-CG 3.84Å; F111-F141 HydrophobicContact CE2-CG 3.84Å; F111-F141 AromaticContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CZ-CD1 4.27Å; F111-F141 HydrophobicContact CZ-CG 4.23Å; F111-Y269 HydrophobicContact CE1-CD1 4.27Å; F111-Y269 HydrophobicContact CE1-CD2 4.48Å; F111-Y269 AromaticContact CE1-CE1 3.77Å; F111-Y269 HydrophobicContact CE1-CE1 3.77Å; F111-Y269 AromaticContact CE1-CE2 3.95Å; F111-Y269 HydrophobicContact CE1-CE2 3.95Å; F111-Y269 AromaticContact CE1-CZ 3.59Å; F111-Y269 AromaticContact CZ-CD1 3.83Å; F111-Y269 HydrophobicContact CZ-CD1 3.83Å; F111-Y269 AromaticContact CZ-CD2 3.85Å; F111-Y269 HydrophobicContact CZ-CD2 3.85Å; F111-Y269 AromaticContact CZ-CE1 3.8Å; F111-Y269 HydrophobicContact CZ-CE1 3.8Å; F111-Y269 AromaticContact CZ-CE2 3.76Å; F111-Y269 HydrophobicContact CZ-CE2 3.76Å; F111-Y269 AromaticContact CZ-CG 3.87Å; F111-Y269 HydrophobicContact CZ-CG 3.87Å; F111-Y269 AromaticContact CZ-CZ 3.76Å
112R95.4Very high91.6Very high119 Ų11953.1 Ų53.145%0.44925%0.246SC..THydrogen-bonded Turntrans-47.3-35.4-179.869.4-168.7-173.5-102.79.5114.9Q108 H109 R323Q108-R112 WeakPolarHBondContact O-CA 3.1Å; Q108-R112 WeakPolarHBondContact O-CB 2.8Å; Q108-R112 PolarHBondContact O-N 2.75Å; H109-R112 PolarHBondContact CD2-NH1 3.36Å; H109-R112 VanDerWaalsContact CD2-NH1 3.33Å; H109-R112 PolarHBondContact CE1-NH1 3.39Å; H109-R112 PolarHBondContact NE2-NH1 3.23Å; H109-R112 WeakPolarHBondContact O-CD 3.31Å; H109-R112 WeakPolarHBondContact O-CG 3.32Å; H109-R112 PolarHBondContact O-NH1 3.4Å; R112-R323 PolarHBondContact O-NH2 3.46Å
113H94.1Very high90Very high83 Ų8362.6 Ų62.638%0.38428%0.279SS..THydrogen-bonded Turntrans-99.18.8-179.6-61.3-50.9000114.2F111 T332 D333F111-H113 PolarHBondContact O-N 2.93Å; H113-T332 CarbonylContact O-C 3.51Å; H113-T332 VanDerWaalsContact O-CB 3.26Å; H113-T332 WeakPolarHBondContact O-CB 3.2Å; H113-T332 VanDerWaalsContact O-O 3.04Å; H113-T332 PolarHBondContact O-OG1 3.42Å; H113-T332 VanDerWaalsContact O-OG1 3.11Å; H113-D333 HydrophobicContact CB-CB 3.95Å; H113-D333 PolarHBondContact O-N 3.34Å
114H95.2Very high88.3Confident51 Ų5163.8 Ų63.824%0.23629%0.287CS..SBendtrans-105.7154.3176.4-83.4-96.3000112.2F111 W116 R266 R323F111-H114 HydrophobicContact CD1-CB 3.97Å; F111-H114 PolarHBondContact O-N 3.22Å; H114-W116 VanDerWaalsContact C-N 3.33Å; H114-W116 CarbonylContact C-O 3.5Å; H114-W116 WeakPolarHBondContact CB-O 3.42Å; H114-W116 CarbonylContact O-C 3.53Å; H114-W116 PolarHBondContact O-N 3.34Å; H114-R266 PolarHBondContact CD2-NH1 2.98Å; H114-R266 PolarHBondContact CE1-NH2 2.85Å; H114-R266 PolarHBondContact NE2-NH1 2.92Å; H114-R266 VanDerWaalsContact NE2-NH1 3.14Å; H114-R266 PolarHBondContact NE2-NH2 3.24Å; H114-R323 VanDerWaalsContact O-CZ 3.27Å; H114-R323 PolarHBondContact O-NH1 3.01Å; H114-R323 PolarHBondContact O-NH2 3.27Å
115R95.2Very high86.7Confident88 Ų8868.5 Ų68.533%0.33231%0.308SS..SBendtrans-56.5-43.4-179.6-61.9-177.2-177.5163.6-0.3112.4C309 T320 R323 V337 M338 C340R115-C309 PolarHBondContact NH1-SG 3.05Å; R115-T320 HydrophobicContact CB-CG2 3.88Å; R115-T320 HydrophobicContact CG-CG2 4.01Å; R115-R323 PolarHBondContact O-NH1 3.09Å; R115-V337 VanDerWaalsContact CZ-O 3.28Å; R115-V337 PolarHBondContact NE-O 3.35Å; R115-V337 PolarHBondContact NH2-O 2.91Å; R115-M338 HydrophobicContact CG-CE 4.21Å; R115-C340 PolarHBondContact NE-SG 3.15Å
116W94Very high85Confident15 Ų1562.6 Ų62.66%0.05729%0.29CS..SBendtrans-86.4123.7157-179.178.1000108.9F111 H114 C118 V131 E138 V142 Y308F111-W116 HydrophobicContact CB-CE3 4.41Å; F111-W116 HydrophobicContact CB-CZ3 4.43Å; F111-W116 AromaticContact CD1-CE3 3.43Å; F111-W116 HydrophobicContact CD1-CE3 3.43Å; F111-W116 VanDerWaalsContact CD1-CE3 3.43Å; F111-W116 AromaticContact CD1-CZ3 3.61Å; F111-W116 HydrophobicContact CD1-CZ3 3.61Å; F111-W116 AromaticContact CD2-CZ3 3.94Å; F111-W116 HydrophobicContact CD2-CZ3 3.94Å; F111-W116 AromaticContact CE1-CE3 3.71Å; F111-W116 HydrophobicContact CE1-CE3 3.71Å; F111-W116 AromaticContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE2-CZ3 4.06Å; F111-W116 AromaticContact CG-CE3 3.89Å; F111-W116 HydrophobicContact CG-CE3 3.89Å; F111-W116 AromaticContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CZ-CE3 4.4Å; F111-W116 AromaticContact CZ-CZ3 3.94Å; F111-W116 HydrophobicContact CZ-CZ3 3.94Å; H114-W116 VanDerWaalsContact C-N 3.33Å; H114-W116 CarbonylContact C-O 3.5Å; H114-W116 WeakPolarHBondContact CB-O 3.42Å; H114-W116 CarbonylContact O-C 3.53Å; H114-W116 PolarHBondContact O-N 3.34Å; W116-C118 HydrophobicContact CH2-CB 3.58Å; W116-C118 WeakPolarHBondContact CH2-SG 3.13Å; W116-C118 HydrophobicContact CZ2-CB 3.88Å; W116-C118 HydrophobicContact CZ3-CB 3.94Å; W116-V131 HydrophobicContact CZ2-CG1 4.23Å; W116-E138 HydrophobicContact CD2-CB 4.08Å; W116-E138 HydrophobicContact CD2-CG 3.99Å; W116-E138 HydrophobicContact CE3-CB 3.89Å; W116-E138 HydrophobicContact CE3-CG 3.75Å; W116-E138 HydrophobicContact CG-CG 4.37Å; W116-E138 HydrophobicContact CH2-CB 4.22Å; W116-E138 HydrophobicContact CZ2-CB 4.38Å; W116-E138 HydrophobicContact CZ3-CB 3.98Å; W116-E138 HydrophobicContact CZ3-CG 4.26Å; W116-V142 HydrophobicContact CH2-CG2 3.61Å; W116-V142 HydrophobicContact CZ2-CG2 3.95Å; W116-Y308 HydrophobicContact CB-CD1 3.8Å; W116-Y308 HydrophobicContact CB-CD2 3.81Å; W116-Y308 HydrophobicContact CB-CE1 3.83Å; W116-Y308 HydrophobicContact CB-CE2 3.82Å; W116-Y308 HydrophobicContact CB-CG 3.79Å; W116-Y308 AromaticContact CD1-CE1 3.61Å; W116-Y308 AromaticContact CD1-CZ 3.99Å; W116-Y308 HydrophobicContact CG-CD1 4.32Å; W116-Y308 AromaticContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE2 4.4Å; W116-Y308 AromaticContact CG-CZ 3.97Å
117N93.5Very high83.5Confident50 Ų5065 Ų6527%0.26731%0.305SS..  trans-111.214.9-172.566.5-18.6000114.7F111 S119F111-N117 WeakPolarHBondContact O-CA 3.34Å; N117-S119 PolarHBondContact O-N 3.04Å; N117-S119 VanDerWaalsContact OD1-CB 3.3Å; N117-S119 WeakPolarHBondContact OD1-CB 3.07Å; N117-S119 PolarHBondContact OD1-N 3.28Å; N117-S119 PolarHBondContact OD1-OG 3.34Å
118C92.8Very high81.7Confident0 Ų065.2 Ų65.20%031%0.306CS..  trans54.334.4-172.9-155.60000114.1C107 Q108 F111 W116 F128C107-C118 HydrophobicContact CB-CB 3.92Å; C107-C118 WeakPolarHBondContact CB-SG 3.46Å; C107-C118 WeakPolarHBondContact SG-CB 3.09Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.9Å; Q108-C118 HydrophobicContact CG-CB 4.34Å; Q108-C118 WeakPolarHBondContact CG-O 3.48Å; Q108-C118 PolarHBondContact NE2-O 3.46Å; F111-C118 HydrophobicContact CB-CB 4.21Å; W116-C118 HydrophobicContact CH2-CB 3.58Å; W116-C118 WeakPolarHBondContact CH2-SG 3.13Å; W116-C118 HydrophobicContact CZ2-CB 3.88Å; W116-C118 HydrophobicContact CZ3-CB 3.94Å; C118-F128 WeakPolarHBondContact SG-CE1 3.29Å
119S87.1Confident80.2Confident30 Ų3062.4 Ų62.421%0.2129%0.294CS..  trans-61140.416935.60000111.5N117 L318N117-S119 PolarHBondContact O-N 3.04Å; N117-S119 VanDerWaalsContact OD1-CB 3.3Å; N117-S119 WeakPolarHBondContact OD1-CB 3.07Å; N117-S119 PolarHBondContact OD1-N 3.28Å; N117-S119 PolarHBondContact OD1-OG 3.34Å; S119-L318 WeakPolarHBondContact OG-CD1 3.18Å
120T81.5Confident78.8Confident45 Ų4565.7 Ų65.728%0.27630%0.304SS..  trans-85.4159172.349.90000110.8I104 V127 F128I104-T120 HydrophobicContact CG2-CG2 3.7Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 HydrophobicContact CG2-CG1 3.57Å; T120-F128 HydrophobicContact CG2-CE1 4.01Å; T120-F128 HydrophobicContact CG2-CZ 3.96Å
121L74.5Confident77.6Confident58 Ų5865 Ų6530%0.30430%0.301SS..  trans-116108.8177.5-59.4178.6000110.3R123 D124 V127 L318L121-R123 PolarHBondContact O-N 3.31Å; L121-D124 HydrophobicContact CB-CB 3.96Å; L121-D124 PolarHBondContact O-N 2.87Å; L121-V127 PolarHBondContact N-O 2.98Å; L121-L318 HydrophobicContact CD2-CD1 4.37Å; L121-L318 HydrophobicContact CD2-CD2 4Å
122D57.4Low76.8Confident162 Ų16266.4 Ų66.487%0.86631%0.308SS*.THydrogen-bonded Turntrans-62.9-5.3-170.4-51.4-37.5000115.6
123R58.7Low76.2Confident255 Ų25566 Ų6696%0.96232%0.315SS*.THydrogen-bonded Turntrans-119.97.6177.7-60.8-172.7-178.7-168.1-0113.6L121L121-R123 PolarHBondContact O-N 3.31Å
124D59.9Low75.8Confident44 Ų4465.9 Ų65.924%0.23531%0.311CS..  trans-108.7121179.6-159.4-58.7000112.2L121 T126 V127 G129L121-D124 HydrophobicContact CB-CB 3.96Å; L121-D124 PolarHBondContact O-N 2.87Å; D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 WeakPolarHBondContact OD1-CB 3.05Å; D124-T126 PolarHBondContact OD1-N 3.35Å; D124-T126 PolarHBondContact OD1-OG1 2.96Å; D124-V127 PolarHBondContact O-N 3.26Å; D124-G129 WeakPolarHBondContact OD2-CA 3.09Å
125H60.9Low75.7Confident123 Ų12363.7 Ų63.757%0.56930%0.301SS*.THydrogen-bonded Turntrans-62.2-9.717965.8-79.1000114.9P76P76-H125 HydrophobicContact CB-CB 3.96Å; P76-H125 HydrophobicContact CG-CB 4.06Å
126T60.9Low75.7Confident39 Ų3959.5 Ų59.524%0.23929%0.285CS..THydrogen-bonded Turntrans-101.94.9174.465.10000113.6D124 F128 G129D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 WeakPolarHBondContact OD1-CB 3.05Å; D124-T126 PolarHBondContact OD1-N 3.35Å; D124-T126 PolarHBondContact OD1-OG1 2.96Å; T126-F128 PolarHBondContact O-N 3.48Å; T126-G129 WeakPolarHBondContact OG1-CA 3.4Å; T126-G129 PolarHBondContact OG1-N 3.23Å
127V65.8Low75.8Confident57 Ų5762.8 Ų62.835%0.34530%0.298SS..SBendtrans67.4-40.5-179.3-175.30000114.6I104 T120 L121 D124I104-V127 HydrophobicContact CD1-CG1 3.85Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 HydrophobicContact CG2-CG1 3.57Å; L121-V127 PolarHBondContact N-O 2.98Å; D124-V127 PolarHBondContact O-N 3.26Å
128F60.2Low75.9Confident6 Ų660.6 Ų60.63%0.02629%0.286CS..SBendtrans-109.2-4.7178.9-65.9-79.4000113.8W103 I104 C118 T120 T126 L132 V142W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CZ 4.09Å; W103-F128 HydrophobicContact CZ2-CE2 4.36Å; W103-F128 AromaticContact CZ3-CE2 3.59Å; W103-F128 HydrophobicContact CZ3-CE2 3.59Å; W103-F128 AromaticContact CZ3-CZ 3.89Å; W103-F128 HydrophobicContact CZ3-CZ 3.89Å; I104-F128 HydrophobicContact CG1-CE2 4.14Å; I104-F128 HydrophobicContact CG1-CZ 3.95Å; I104-F128 HydrophobicContact CG2-CZ 4.23Å; C118-F128 WeakPolarHBondContact SG-CE1 3.29Å; T120-F128 HydrophobicContact CG2-CE1 4.01Å; T120-F128 HydrophobicContact CG2-CZ 3.96Å; T126-F128 PolarHBondContact O-N 3.48Å; F128-L132 HydrophobicContact CB-CD1 4.13Å; F128-L132 HydrophobicContact CB-CG 4.18Å; F128-V142 HydrophobicContact CD2-CG1 3.95Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CG-CG1 4.2Å
129G65.1Low76Confident3 Ų360.6 Ų60.63%0.03129%0.286CS..G310 helixtrans56.5-138.2173.200000114.4D124 T126 V131 L132D124-G129 WeakPolarHBondContact OD2-CA 3.09Å; T126-G129 WeakPolarHBondContact OG1-CA 3.4Å; T126-G129 PolarHBondContact OG1-N 3.23Å; G129-V131 PolarHBondContact O-N 3.08Å; G129-L132 PolarHBondContact O-N 3.33Å
130R67.6Low76.5Confident129 Ų12959.2 Ų59.249%0.48728%0.276SS..G310 helixtrans-62.9-14.9-170-63.6-177.6170.4-170.5-7.6114.7L132 L133 K313R130-L132 PolarHBondContact O-N 3.25Å; R130-L133 HydrophobicContact CB-CD1 4.36Å; R130-L133 HydrophobicContact CG-CD1 4.04Å; R130-L133 WeakPolarHBondContact O-CB 3.45Å; R130-L133 PolarHBondContact O-N 2.78Å; R130-K313 WeakPolarHBondContact CD-O 3.5Å; R130-K313 PolarHBondContact NH1-O 3.11Å
131V73.4Confident77.2Confident6 Ų657 Ų574%0.03626%0.263CS..G310 helixtrans-58.2-37170.9-177.90000111W116 G129 L133 R134 E138W116-V131 HydrophobicContact CZ2-CG1 4.23Å; G129-V131 PolarHBondContact O-N 3.08Å; V131-L133 PolarHBondContact O-N 3.32Å; V131-R134 PolarHBondContact O-N 3.18Å; V131-E138 HydrophobicContact CG1-CB 4.22Å
132L79.9Confident78.3Confident31 Ų3154.5 Ų54.516%0.16225%0.25CC..G310 helixtrans-76.5-6.8176.5-62.7176.4000113.9F128 G129 R130 A139 V142 Y143F128-L132 HydrophobicContact CB-CD1 4.13Å; F128-L132 HydrophobicContact CB-CG 4.18Å; G129-L132 PolarHBondContact O-N 3.33Å; R130-L132 PolarHBondContact O-N 3.25Å; L132-A139 HydrophobicContact CD2-CB 4.47Å; L132-V142 HydrophobicContact CD2-CB 4.01Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; L132-Y143 HydrophobicContact CD2-CD2 4.23Å; L132-Y143 HydrophobicContact CD2-CE2 3.84Å
133L81.8Confident80.2Confident112 Ų11248.2 Ų48.259%0.58621%0.214SC*.G310 helixtrans-91.4-4.4174.8-57.2-178.7000113.1R130 V131 R214R130-L133 HydrophobicContact CB-CD1 4.36Å; R130-L133 HydrophobicContact CG-CD1 4.04Å; R130-L133 WeakPolarHBondContact O-CB 3.45Å; R130-L133 PolarHBondContact O-N 2.78Å; V131-L133 PolarHBondContact O-N 3.32Å; L133-R214 PolarHBondContact O-NH1 2.88Å; L133-R214 PolarHBondContact O-NH2 3.36Å
134R86.2Confident82Confident79 Ų7936.1 Ų36.130%0.29817%0.168SC..SBendtrans-111.4137.8170.9173.9168.7-71.8-160.89.4109.5V131 S136 A139 E303 N304V131-R134 PolarHBondContact O-N 3.18Å; R134-S136 PolarHBondContact O-N 2.94Å; R134-A139 VanDerWaalsContact O-CB 3.25Å; R134-A139 WeakPolarHBondContact O-CB 3.17Å; R134-E303 HydrophobicContact CG-CB 3.82Å; R134-E303 WeakPolarHBondContact CG-OE2 3.26Å; R134-E303 IonicContact NE-OE2 3.59Å; R134-N304 PolarHBondContact NH1-O 2.03Å
135S92.5Very high83.9Confident5 Ų534 Ų344%0.03516%0.157CC..  trans-81.347.7179.3-44.10000113R214 Y301 F302 E303S135-R214 PolarHBondContact OG-NE 2.99Å; S135-R214 PolarHBondContact OG-NH2 3.49Å; S135-Y301 WeakPolarHBondContact O-CB 3.49Å; S135-F302 PolarHBondContact O-N 3.27Å; S135-E303 WeakPolarHBondContact CB-OE1 3.34Å; S135-E303 PolarHBondContact N-OE1 3.38Å; S135-E303 PolarHBondContact O-N 3.32Å; S135-E303 PolarHBondContact OG-OE1 3.39Å
136S95.1Very high85.6Confident0 Ų029 Ų290%014%0.136CC..SBendtrans-94.2174.1-175.4730000114.3R134 E138 A139 A140 E303R134-S136 PolarHBondContact O-N 2.94Å; S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 2.73Å; S136-E138 PolarHBondContact OG-OE2 3.24Å; S136-A139 PolarHBondContact O-N 2.79Å; S136-A140 WeakPolarHBondContact O-CB 3.4Å; S136-A140 PolarHBondContact O-N 3.11Å; S136-E303 VanDerWaalsContact CA-O 3.23Å; S136-E303 WeakPolarHBondContact CA-O 3.37Å; S136-E303 WeakPolarHBondContact CB-O 3.07Å
137R96.3Very high87.3Confident84 Ų8427.1 Ų27.132%0.31713%0.125SC..Hα-helixtrans-57.8-37.5177-67179.7-65.9-159.8-4.4112.4A140 F141 Y269 A272 Y301 S305R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 2.78Å; R137-F141 PolarHBondContact O-N 3.41Å; R137-Y269 VanDerWaalsContact C-CE2 3.49Å; R137-Y269 HydrophobicContact CB-CD2 3.94Å; R137-Y269 HydrophobicContact CB-CE2 3.5Å; R137-Y269 VanDerWaalsContact O-CD2 3.27Å; R137-Y269 WeakPolarHBondContact O-CD2 3.33Å; R137-Y269 WeakPolarHBondContact O-CE2 3.48Å; R137-A272 HydrophobicContact CG-CB 4.25Å; R137-Y301 HydrophobicContact CG-CD1 3.33Å; R137-Y301 HydrophobicContact CG-CD2 4.01Å; R137-Y301 HydrophobicContact CG-CE1 3.42Å; R137-Y301 VanDerWaalsContact CG-CE1 3.42Å; R137-Y301 HydrophobicContact CG-CE2 4.11Å; R137-Y301 HydrophobicContact CG-CG 3.63Å; R137-S305 PolarHBondContact NE-OG 3.16Å; R137-S305 PolarHBondContact NH2-OG 3.49Å; R137-S305 VanDerWaalsContact NH2-OG 3.13Å
138E95.5Very high88.8Confident5 Ų524.4 Ų24.42%0.02311%0.108CC..Hα-helixtrans-66.2-48-179.5-58.475.2-163.700109.8W116 V131 S136 A140 F141 V142 Y269 S305 Y308W116-E138 HydrophobicContact CD2-CB 4.08Å; W116-E138 HydrophobicContact CD2-CG 3.99Å; W116-E138 HydrophobicContact CE3-CB 3.89Å; W116-E138 HydrophobicContact CE3-CG 3.75Å; W116-E138 HydrophobicContact CG-CG 4.37Å; W116-E138 HydrophobicContact CH2-CB 4.22Å; W116-E138 HydrophobicContact CZ2-CB 4.38Å; W116-E138 HydrophobicContact CZ3-CB 3.98Å; W116-E138 HydrophobicContact CZ3-CG 4.26Å; V131-E138 HydrophobicContact CG1-CB 4.22Å; S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 2.73Å; S136-E138 PolarHBondContact OG-OE2 3.24Å; E138-A140 PolarHBondContact O-N 3.11Å; E138-F141 PolarHBondContact O-N 3.48Å; E138-V142 WeakPolarHBondContact O-CG2 3.44Å; E138-V142 PolarHBondContact O-N 2.91Å; E138-Y269 HydrophobicContact CG-CE2 4.25Å; E138-Y269 PolarHBondContact OE1-OH 3.24Å; E138-S305 VanDerWaalsContact CD-OG 3.32Å; E138-S305 VanDerWaalsContact OE1-CB 3.25Å; E138-S305 WeakPolarHBondContact OE1-CB 3.11Å; E138-S305 PolarHBondContact OE1-OG 2.86Å; E138-S305 PolarHBondContact OE2-OG 3.26Å; E138-Y308 HydrophobicContact CG-CE2 3.98Å
139A95Very high90.6Very high0 Ų024.3 Ų24.30%011%0.109CC..Hα-helixtrans-58.6-45.5171.700000111.7L132 R134 S136 F141 V142 Y143L132-A139 HydrophobicContact CD2-CB 4.47Å; R134-A139 VanDerWaalsContact O-CB 3.25Å; R134-A139 WeakPolarHBondContact O-CB 3.17Å; S136-A139 PolarHBondContact O-N 2.79Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.06Å; A139-V142 PolarHBondContact O-N 2.93Å; A139-Y143 VanDerWaalsContact O-CD2 3.22Å; A139-Y143 WeakPolarHBondContact O-CD2 3.43Å; A139-Y143 PolarHBondContact O-N 3.14Å
140A97.5Very high92.1Very high0 Ų024.4 Ų24.40%011%0.109CC..Hα-helixtrans-56.5-38.517700000113S136 R137 E138 A144 N221 L299 V300S136-A140 WeakPolarHBondContact O-CB 3.4Å; S136-A140 PolarHBondContact O-N 3.11Å; R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 2.78Å; E138-A140 PolarHBondContact O-N 3.11Å; A140-A144 PolarHBondContact O-N 2.83Å; A140-N221 WeakPolarHBondContact CA-ND2 3.26Å; A140-N221 WeakPolarHBondContact CB-ND2 3.48Å; A140-L299 HydrophobicContact CB-CB 4.43Å; A140-V300 WeakPolarHBondContact CB-O 3.43Å
141F97.9Very high93.6Very high0 Ų018.3 Ų18.30%09%0.086CC..Hα-helixtrans-69.1-44.7171.7-179.2-90.3000112.1C107 Q110 F111 R137 E138 A139 Y143 A144 I145 L265 Y269 L299C107-F141 HydrophobicContact CB-CE1 4.12Å; C107-F141 VanDerWaalsContact SG-CE1 3.58Å; Q110-F141 HydrophobicContact CB-CZ 4.15Å; Q110-F141 HydrophobicContact CG-CZ 4.31Å; F111-F141 HydrophobicContact CD2-CD1 4.31Å; F111-F141 HydrophobicContact CD2-CE1 4.09Å; F111-F141 AromaticContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD2 4.17Å; F111-F141 AromaticContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE2 4.22Å; F111-F141 AromaticContact CE2-CG 3.84Å; F111-F141 HydrophobicContact CE2-CG 3.84Å; F111-F141 AromaticContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CZ-CD1 4.27Å; F111-F141 HydrophobicContact CZ-CG 4.23Å; R137-F141 PolarHBondContact O-N 3.41Å; E138-F141 PolarHBondContact O-N 3.48Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.06Å; F141-Y143 PolarHBondContact O-N 2.82Å; F141-A144 PolarHBondContact O-N 2.84Å; F141-A144 VanDerWaalsContact O-N 3.11Å; F141-I145 HydrophobicContact CD1-CB 4.34Å; F141-I145 HydrophobicContact CD1-CG2 3.97Å; F141-I145 HydrophobicContact CE1-CB 3.86Å; F141-I145 HydrophobicContact CE1-CG1 4.18Å; F141-I145 HydrophobicContact CE1-CG2 3.71Å; F141-I145 HydrophobicContact CZ-CB 4.05Å; F141-I145 HydrophobicContact CZ-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CG1 4.14Å; F141-I145 HydrophobicContact CZ-CG2 4.4Å; F141-I145 WeakPolarHBondContact O-CG2 3.06Å; F141-I145 PolarHBondContact O-N 2.92Å; F141-L265 HydrophobicContact CD2-CB 4.1Å; F141-L265 HydrophobicContact CE2-CB 3.63Å; F141-Y269 HydrophobicContact CB-CD2 3.85Å; F141-Y269 HydrophobicContact CB-CG 4.45Å; F141-L299 HydrophobicContact CB-CD1 4.36Å; F141-L299 HydrophobicContact CD2-CD1 4.48Å
142V96.5Very high94.8Very high4 Ų419 Ų192%0.0249%0.088CC..Hα-helixtrans-59.7-44.3179.1178.10000111.6W103 W116 F128 L132 E138 A139 A144 S146W103-V142 HydrophobicContact CH2-CG1 4.31Å; W103-V142 HydrophobicContact CZ3-CG1 4.24Å; W116-V142 HydrophobicContact CH2-CG2 3.61Å; W116-V142 HydrophobicContact CZ2-CG2 3.95Å; F128-V142 HydrophobicContact CD2-CG1 3.95Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CG-CG1 4.2Å; L132-V142 HydrophobicContact CD2-CB 4.01Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; E138-V142 WeakPolarHBondContact O-CG2 3.44Å; E138-V142 PolarHBondContact O-N 2.91Å; A139-V142 PolarHBondContact O-N 2.93Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 2.88Å; V142-S146 WeakPolarHBondContact O-CB 3.39Å; V142-S146 PolarHBondContact O-N 3Å; V142-S146 PolarHBondContact O-OG 3.24Å
143Y96.6Very high95.6Very high31 Ų3117.7 Ų17.712%0.1228%0.081CC..Hα-helixtrans-59.3-41.8173.7-81.8-71.7000112.2L132 A139 F141 S146 S147 N218 N222L132-Y143 HydrophobicContact CD2-CD2 4.23Å; L132-Y143 HydrophobicContact CD2-CE2 3.84Å; A139-Y143 VanDerWaalsContact O-CD2 3.22Å; A139-Y143 WeakPolarHBondContact O-CD2 3.43Å; A139-Y143 PolarHBondContact O-N 3.14Å; F141-Y143 PolarHBondContact O-N 2.82Å; Y143-S146 PolarHBondContact O-OG 2.83Å; Y143-S147 WeakPolarHBondContact O-CB 3.42Å; Y143-S147 PolarHBondContact O-N 2.64Å; Y143-N218 HydrophobicContact CD1-CB 4.12Å; Y143-N218 WeakPolarHBondContact CD2-OD1 3.4Å; Y143-N218 HydrophobicContact CE1-CB 3.95Å; Y143-N218 WeakPolarHBondContact CE2-OD1 3.38Å; Y143-N218 HydrophobicContact CG-CB 4.48Å; Y143-N218 VanDerWaalsContact CZ-ND2 3.34Å; Y143-N218 VanDerWaalsContact CZ-OD1 3.29Å; Y143-N218 PolarHBondContact OH-ND2 2.98Å; Y143-N218 VanDerWaalsContact OH-ND2 3.09Å; Y143-N222 WeakPolarHBondContact CB-OD1 3.43Å; Y143-N222 WeakPolarHBondContact CD1-OD1 3.28Å; Y143-N222 PolarHBondContact O-OD1 3.02Å
144A98.3Very high96.3Very high0 Ų012.4 Ų12.40%05%0.053CC..Hα-helixtrans-69.7-50.8177.500000113.3A140 F141 V142 S146 S147 A148 N221 G225 L265 L299A140-A144 PolarHBondContact O-N 2.83Å; F141-A144 PolarHBondContact O-N 2.84Å; F141-A144 VanDerWaalsContact O-N 3.11Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 2.88Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.87Å; A144-S147 PolarHBondContact O-N 3.33Å; A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.37Å; A144-A148 PolarHBondContact O-N 3.48Å; A144-N221 WeakPolarHBondContact CA-O 3.24Å; A144-N221 WeakPolarHBondContact CB-O 3.25Å; A144-G225 WeakPolarHBondContact O-CA 3.28Å; A144-L265 HydrophobicContact CB-CD1 4.14Å; A144-L265 HydrophobicContact CB-CD2 4.02Å; A144-L299 HydrophobicContact CB-CD1 4.46Å; A144-L299 HydrophobicContact CB-CD2 3.6Å
145I98.1Very high96.9Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-69-32.2-176.2-164.266.2000111.9W103 E106 C107 F141 G149 F258 L265W103-I145 HydrophobicContact CB-CG1 4.49Å; W103-I145 HydrophobicContact CE3-CG2 3.81Å; W103-I145 HydrophobicContact CZ3-CG2 4.05Å; E106-I145 HydrophobicContact CG-CD1 4.23Å; C107-I145 HydrophobicContact CB-CG2 4.22Å; F141-I145 HydrophobicContact CD1-CB 4.34Å; F141-I145 HydrophobicContact CD1-CG2 3.97Å; F141-I145 HydrophobicContact CE1-CB 3.86Å; F141-I145 HydrophobicContact CE1-CG1 4.18Å; F141-I145 HydrophobicContact CE1-CG2 3.71Å; F141-I145 HydrophobicContact CZ-CB 4.05Å; F141-I145 HydrophobicContact CZ-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CG1 4.14Å; F141-I145 HydrophobicContact CZ-CG2 4.4Å; F141-I145 WeakPolarHBondContact O-CG2 3.06Å; F141-I145 PolarHBondContact O-N 2.92Å; I145-G149 PolarHBondContact O-N 3.05Å; I145-F258 HydrophobicContact CD1-CE1 3.61Å; I145-F258 HydrophobicContact CD1-CZ 3.68Å; I145-F258 HydrophobicContact CG1-CE1 4.15Å; I145-F258 HydrophobicContact CG1-CZ 4.27Å; I145-L265 HydrophobicContact CB-CD1 4.3Å; I145-L265 HydrophobicContact CD1-CD1 3.85Å
146S96.4Very high97.1Very high18 Ų1812 Ų1213%0.1265%0.051CC..Hα-helixtrans-69.6-46.7174.562.10000112.4W103 V142 Y143 A144 A148 G149 V150W103-S146 VanDerWaalsContact CH2-CB 3.4Å; V142-S146 WeakPolarHBondContact O-CB 3.39Å; V142-S146 PolarHBondContact O-N 3Å; V142-S146 PolarHBondContact O-OG 3.24Å; Y143-S146 PolarHBondContact O-OG 2.83Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.87Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 3.03Å; S146-G149 PolarHBondContact O-N 2.9Å; S146-G149 VanDerWaalsContact O-N 3.16Å; S146-V150 WeakPolarHBondContact O-CG2 3.21Å; S146-V150 PolarHBondContact O-N 2.77Å
147S97.5Very high97.1Very high0 Ų012 Ų120%05%0.052CC..Hα-helixtrans-67.4-29.8176.2-139.30000112Y143 A144 V151 R226Y143-S147 WeakPolarHBondContact O-CB 3.42Å; Y143-S147 PolarHBondContact O-N 2.64Å; A144-S147 PolarHBondContact O-N 3.33Å; S147-V151 WeakPolarHBondContact O-CG2 3.15Å; S147-V151 PolarHBondContact O-N 2.96Å; S147-R226 WeakPolarHBondContact OG-CG 3.48Å; S147-R226 PolarHBondContact OG-NH1 3.02Å
148A98.3Very high97.1Very high0 Ų08.1 Ų8.10%04%0.037CC..Hα-helixtrans-65.7-47.4167.800000112.1A144 S146 V150 V151 Y152 G225 V229 F258 T261 L265A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.37Å; A144-A148 PolarHBondContact O-N 3.48Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 3.03Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.07Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 2.99Å; A148-V151 VanDerWaalsContact O-N 3.12Å; A148-Y152 WeakPolarHBondContact O-CB 3.49Å; A148-Y152 PolarHBondContact O-N 2.83Å; A148-G225 WeakPolarHBondContact CB-O 3.19Å; A148-V229 HydrophobicContact CB-CG2 3.77Å; A148-V229 WeakPolarHBondContact O-CG2 3.35Å; A148-F258 HydrophobicContact CB-CE2 4.09Å; A148-F258 HydrophobicContact CB-CZ 4.11Å; A148-T261 HydrophobicContact CB-CG2 3.97Å; A148-L265 HydrophobicContact CB-CD1 4.12Å
149G97.7Very high97.1Very high3 Ų39.4 Ų9.43%0.0315%0.047CC..Hα-helixtrans-58.3-42.7178.800000113I145 S146 V151 Y152 A153I145-G149 PolarHBondContact O-N 3.05Å; S146-G149 PolarHBondContact O-N 2.9Å; S146-G149 VanDerWaalsContact O-N 3.16Å; G149-V151 PolarHBondContact O-N 3.33Å; G149-Y152 PolarHBondContact O-N 3.2Å; G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.16Å; G149-A153 PolarHBondContact O-N 3.02Å
150V97Very high97.1Very high6 Ų614.8 Ų14.84%0.0367%0.072CC..Hα-helixtrans-64.2-38.4174.7173.70000112.2I96 S146 A148 L154 A199 I203I96-V150 HydrophobicContact CD1-CG1 4.22Å; I96-V150 HydrophobicContact CG1-CG1 4.15Å; I96-V150 HydrophobicContact CG2-CG2 4.36Å; S146-V150 WeakPolarHBondContact O-CG2 3.21Å; S146-V150 PolarHBondContact O-N 2.77Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.07Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.44Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.4Å; V150-A199 HydrophobicContact CB-CB 4.3Å; V150-A199 HydrophobicContact CG1-CB 3.75Å; V150-I203 HydrophobicContact CG1-CG1 4.49Å; V150-I203 HydrophobicContact CG2-CD1 3.97Å; V150-I203 HydrophobicContact CG2-CG1 4.42Å
151V98.3Very high97Very high0 Ų017.8 Ų17.80%010%0.103CC..Hα-helixtrans-64.2-46.7173.2170.50000111.1S147 A148 G149 T155 V192 I196 A199 R226 V229S147-V151 WeakPolarHBondContact O-CG2 3.15Å; S147-V151 PolarHBondContact O-N 2.96Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 2.99Å; A148-V151 VanDerWaalsContact O-N 3.12Å; G149-V151 PolarHBondContact O-N 3.33Å; V151-T155 VanDerWaalsContact O-CB 3.24Å; V151-T155 WeakPolarHBondContact O-CB 3.4Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 3.18Å; V151-V192 HydrophobicContact CG1-CG2 3.75Å; V151-I196 HydrophobicContact CG1-CG1 3.75Å; V151-I196 HydrophobicContact CG2-CB 4.47Å; V151-I196 HydrophobicContact CG2-CG1 3.89Å; V151-A199 HydrophobicContact CG2-CB 3.45Å; V151-A199 VanDerWaalsContact CG2-CB 3.45Å; V151-R226 HydrophobicContact CG2-CB 3.95Å; V151-R226 HydrophobicContact CG2-CG 3.61Å; V151-V229 HydrophobicContact CB-CG2 4.23Å; V151-V229 HydrophobicContact CG1-CB 3.97Å; V151-V229 HydrophobicContact CG1-CG1 4Å; V151-V229 HydrophobicContact CG1-CG2 4.2Å
152Y98.1Very high96.8Very high22 Ų2223 Ų239%0.08613%0.127CC..Hα-helixtrans-62.8-52.6-176.6-173.8-96.4000111.6E102 A148 G149 L154 T155 R156 V229 L255 S256 F258E102-Y152 WeakPolarHBondContact OE1-CE1 3.22Å; A148-Y152 WeakPolarHBondContact O-CB 3.49Å; A148-Y152 PolarHBondContact O-N 2.83Å; G149-Y152 PolarHBondContact O-N 3.2Å; Y152-L154 PolarHBondContact O-N 2.84Å; Y152-T155 PolarHBondContact O-N 2.97Å; Y152-R156 WeakPolarHBondContact O-CB 3.42Å; Y152-R156 PolarHBondContact O-N 3.18Å; Y152-V229 HydrophobicContact CD2-CG1 4.17Å; Y152-L255 HydrophobicContact CD2-CB 4.36Å; Y152-L255 HydrophobicContact CD2-CD1 3.89Å; Y152-L255 HydrophobicContact CD2-CD2 4Å; Y152-L255 HydrophobicContact CD2-CG 4.32Å; Y152-L255 HydrophobicContact CE2-CB 3.87Å; Y152-L255 HydrophobicContact CE2-CD1 3.97Å; Y152-L255 HydrophobicContact CE2-CD2 4.36Å; Y152-L255 HydrophobicContact CE2-CG 4.3Å; Y152-L255 HydrophobicContact CG-CD1 4.4Å; Y152-S256 WeakPolarHBondContact CE2-O 3.45Å; Y152-F258 HydrophobicContact CD1-CB 4.35Å; Y152-F258 AromaticContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CG 4.37Å; Y152-F258 HydrophobicContact CD2-CB 4.41Å; Y152-F258 AromaticContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CE2 4.5Å; Y152-F258 HydrophobicContact CE1-CB 3.99Å; Y152-F258 HydrophobicContact CE1-CD2 4.4Å; Y152-F258 HydrophobicContact CE1-CG 4.49Å; Y152-F258 HydrophobicContact CE2-CB 4.05Å; Y152-F258 HydrophobicContact CE2-CD2 4.16Å; Y152-F258 AromaticContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CE2 4.13Å; Y152-F258 HydrophobicContact CG-CG 4.36Å; Y152-F258 PolarHBondContact OH-N 3.28Å
153A97.3Very high96.6Very high3 Ų323.1 Ų23.13%0.02513%0.127CC..Hα-helixtrans-57.4-48.8179.300000112.5G149 R156 A157G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.16Å; G149-A153 PolarHBondContact O-N 3.02Å; A153-R156 PolarHBondContact O-N 3.15Å; A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.43Å
154L96.9Very high96.2Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-67.3-38.2178.9-67.8-179.2000112.6I92 A95 I96 V150 Y152 R156 C158 L163 F198I92-L154 HydrophobicContact CB-CD2 4.43Å; I92-L154 HydrophobicContact CG2-CD1 4.18Å; I92-L154 HydrophobicContact CG2-CD2 3.62Å; A95-L154 HydrophobicContact CB-CD2 4.12Å; I96-L154 HydrophobicContact CD1-CD1 4.25Å; I96-L154 HydrophobicContact CD1-CD2 4.42Å; I96-L154 HydrophobicContact CG1-CD1 4.3Å; I96-L154 HydrophobicContact CG1-CD2 3.93Å; I96-L154 HydrophobicContact CG1-CG 4.15Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.44Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.4Å; Y152-L154 PolarHBondContact O-N 2.84Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-C158 WeakPolarHBondContact O-CB 3.27Å; L154-C158 PolarHBondContact O-N 3.01Å; L154-C158 PolarHBondContact O-SG 3.4Å; L154-L163 HydrophobicContact CD2-CD1 3.97Å; L154-F198 HydrophobicContact CD1-CB 3.98Å; L154-F198 HydrophobicContact CD1-CD1 3.44Å; L154-F198 VanDerWaalsContact CD1-CD1 3.44Å; L154-F198 HydrophobicContact CD1-CE1 4.27Å; L154-F198 HydrophobicContact CD1-CG 3.9Å
155T97.6Very high95.8Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-63.9-44178.7-57.50000110.7V151 Y152 C158 S159 D190 V192 L255V151-T155 VanDerWaalsContact O-CB 3.24Å; V151-T155 WeakPolarHBondContact O-CB 3.4Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 3.18Å; Y152-T155 PolarHBondContact O-N 2.97Å; T155-C158 PolarHBondContact O-N 2.03Å; T155-S159 PolarHBondContact O-N 3.3Å; T155-S159 PolarHBondContact O-OG 2.95Å; T155-D190 HydrophobicContact CG2-CB 3.72Å; T155-V192 HydrophobicContact CG2-CB 4.09Å; T155-V192 WeakPolarHBondContact OG1-CA 3.44Å; T155-L255 HydrophobicContact CG2-CD1 3.93Å; T155-L255 HydrophobicContact CG2-CD2 4.01Å; T155-L255 HydrophobicContact CG2-CG 4.04Å
156R96.6Very high95.6Very high75 Ų7535.4 Ų35.428%0.28319%0.186SC..Hα-helixtrans-64.7-47.5176.7-167.5-175.354.1-140.1-12.5112.2E102 Y152 A153 L154 C158 S159 Q160 L255E102-R156 VanDerWaalsContact CD-NH1 3.29Å; E102-R156 IonicContact OE1-CZ 3.59Å; E102-R156 IonicContact OE1-NH1 3.66Å; E102-R156 PolarHBondContact OE1-NH1 3.25Å; E102-R156 IonicContact OE2-CZ 3.82Å; E102-R156 VanDerWaalsContact OE2-CZ 3.28Å; E102-R156 IonicContact OE2-NH1 2.78Å; E102-R156 PolarHBondContact OE2-NH1 3.43Å; E102-R156 IonicContact OE2-NH2 3.49Å; E102-R156 PolarHBondContact OE2-NH2 3.11Å; Y152-R156 WeakPolarHBondContact O-CB 3.42Å; Y152-R156 PolarHBondContact O-N 3.18Å; A153-R156 PolarHBondContact O-N 3.15Å; L154-R156 VanDerWaalsContact C-N 3.35Å; R156-C158 VanDerWaalsContact C-N 3.26Å; R156-C158 PolarHBondContact O-N 3.28Å; R156-S159 PolarHBondContact O-N 3.35Å; R156-S159 VanDerWaalsContact O-N 3.08Å; R156-S159 PolarHBondContact O-OG 2.72Å; R156-Q160 HydrophobicContact CG-CG 4.33Å; R156-Q160 VanDerWaalsContact CG-OE1 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.5Å; R156-Q160 WeakPolarHBondContact O-CG 3.43Å; R156-Q160 PolarHBondContact O-N 2.94Å; R156-L255 HydrophobicContact CB-CD1 4Å
157A96.6Very high95.5Very high1 Ų140.3 Ų40.31%0.00821%0.211CC..Hα-helixtrans-62.2-33.2177.800000112.7A95 A153 G161 E162 L163A95-A157 HydrophobicContact CB-CB 3.93Å; A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.43Å; A157-G161 PolarHBondContact O-N 2.82Å; A157-E162 WeakPolarHBondContact CA-OE2 2.95Å; A157-E162 HydrophobicContact CB-CB 4.26Å; A157-E162 VanDerWaalsContact CB-OE2 3.22Å; A157-E162 WeakPolarHBondContact CB-OE2 3.3Å; A157-E162 PolarHBondContact O-N 2.96Å; A157-L163 HydrophobicContact CB-CD1 3.63Å; A157-L163 HydrophobicContact CB-CG 3.82Å
158C96.3Very high95.4Very high3 Ų342.5 Ų42.52%0.0223%0.226CC..Hα-helixtrans-68.6-30.9173-69.30000114.3L154 T155 R156 C166 Y194L154-C158 WeakPolarHBondContact O-CB 3.27Å; L154-C158 PolarHBondContact O-N 3.01Å; L154-C158 PolarHBondContact O-SG 3.4Å; T155-C158 PolarHBondContact O-N 2.03Å; R156-C158 VanDerWaalsContact C-N 3.26Å; R156-C158 PolarHBondContact O-N 3.28Å; C158-C166 VanDerWaalsContact CA-SG 3.53Å; C158-C166 HydrophobicContact CB-CB 3.78Å; C158-C166 WeakPolarHBondContact CB-SG 3.14Å; C158-C166 WeakPolarHBondContact SG-CB 3.21Å; C158-C166 CovalentContact SG-SG 2.02Å; C158-C166 PolarHBondContact SG-SG 2.79Å; C158-Y194 WeakPolarHBondContact SG-CD1 3.4Å; C158-Y194 VanDerWaalsContact SG-CE1 3.57Å
159S95.4Very high95.2Very high31 Ų3143 Ų4322%0.21723%0.229CC..Hα-helixtrans-89.7-24.9178.453.30000113.4T155 R156 G161 C188 D190T155-S159 PolarHBondContact O-N 3.3Å; T155-S159 PolarHBondContact O-OG 2.95Å; R156-S159 PolarHBondContact O-N 3.35Å; R156-S159 VanDerWaalsContact O-N 3.08Å; R156-S159 PolarHBondContact O-OG 2.72Å; S159-G161 VanDerWaalsContact C-N 3.26Å; S159-C188 VanDerWaalsContact CA-SG 3.54Å; S159-C188 WeakPolarHBondContact CB-SG 3.36Å; S159-D190 WeakPolarHBondContact CB-OD1 3.4Å; S159-D190 PolarHBondContact OG-OD1 3.26Å
160Q94.8Very high95Very high114 Ų11446.1 Ų46.153%0.53325%0.248SC..Hα-helixtrans-75.8-11.5168.9-67.6179.5-68.300113.2R156 E162R156-Q160 HydrophobicContact CG-CG 4.33Å; R156-Q160 VanDerWaalsContact CG-OE1 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.5Å; R156-Q160 WeakPolarHBondContact O-CG 3.43Å; R156-Q160 PolarHBondContact O-N 2.94Å; Q160-E162 HydrophobicContact CB-CG 3.93Å
161G94.3Very high94.8Very high63 Ų6352.4 Ų52.465%0.64928%0.281SS*.THydrogen-bonded Turntrans81.113.6178.900000114.7A157 S159 L163A157-G161 PolarHBondContact O-N 2.82Å; S159-G161 VanDerWaalsContact C-N 3.26Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 2.94Å
162E93.5Very high94.6Very high109 Ų10957.2 Ų57.251%0.50930%0.299SS..  trans-72.6-24.9-177.6-58.8175.1161.800112.5A157 Q160A157-E162 WeakPolarHBondContact CA-OE2 2.95Å; A157-E162 HydrophobicContact CB-CB 4.26Å; A157-E162 VanDerWaalsContact CB-OE2 3.22Å; A157-E162 WeakPolarHBondContact CB-OE2 3.3Å; A157-E162 PolarHBondContact O-N 2.96Å; Q160-E162 HydrophobicContact CB-CG 3.93Å
163L93.4Very high94.3Very high6 Ų665 Ų653%0.03133%0.328CS..  trans-111.5124.8-173.8-63.7178.6000111.7D91 I92 A95 L154 A157 G161 L165 C166D91-L163 VanDerWaalsContact C-CD2 3.4Å; D91-L163 HydrophobicContact CB-CD2 3.85Å; D91-L163 WeakPolarHBondContact O-CD2 3.43Å; I92-L163 HydrophobicContact CG1-CD1 4.27Å; I92-L163 HydrophobicContact CG1-CD2 4.05Å; A95-L163 HydrophobicContact CB-CD1 4.4Å; A95-L163 HydrophobicContact CB-CD2 4.2Å; L154-L163 HydrophobicContact CD2-CD1 3.97Å; A157-L163 HydrophobicContact CB-CD1 3.63Å; A157-L163 HydrophobicContact CB-CG 3.82Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 2.94Å; L163-L165 PolarHBondContact O-N 3.35Å; L163-C166 VanDerWaalsContact CB-SG 3.55Å
164K88.8Confident94.1Very high198 Ų19867 Ų6786%0.86135%0.35SS*.THydrogen-bonded Turntrans-74.9-12.3-174.5-64.4178.9-179.5177.60114.3D91D91-K164 PolarHBondContact OD2-N 3.22Å
165L89.4Confident94Very high81 Ų8175 Ų7542%0.42438%0.38SS..THydrogen-bonded Turntrans-100-1.6-168.8-69.9150000113.7H89 I92 L163H89-L165 HydrophobicContact CB-CD1 3.97Å; H89-L165 WeakPolarHBondContact ND1-CD1 3.49Å; I92-L165 HydrophobicContact CD1-CB 4.35Å; I92-L165 HydrophobicContact CD1-CD1 3.83Å; I92-L165 HydrophobicContact CG1-CD1 4.18Å; L163-L165 PolarHBondContact O-N 3.35Å
166C93.7Very high93.8Very high10 Ų1076.3 Ų76.37%0.06839%0.39CS..  trans-145.7166.6-179.349.70000110.9C158 L163 Y194C158-C166 VanDerWaalsContact CA-SG 3.53Å; C158-C166 HydrophobicContact CB-CB 3.78Å; C158-C166 WeakPolarHBondContact CB-SG 3.14Å; C158-C166 WeakPolarHBondContact SG-CB 3.21Å; C158-C166 CovalentContact SG-SG 2.02Å; C158-C166 PolarHBondContact SG-SG 2.79Å; L163-C166 VanDerWaalsContact CB-SG 3.55Å; C166-Y194 HydrophobicContact CB-CD1 3.75Å; C166-Y194 HydrophobicContact CB-CD2 4.01Å; C166-Y194 HydrophobicContact CB-CE1 3.6Å; C166-Y194 HydrophobicContact CB-CE2 3.86Å; C166-Y194 HydrophobicContact CB-CG 3.96Å
167N93.4Very high93.7Very high122 Ų12278 Ų7865%0.65241%0.405SS*.  trans-146.8172178.8-68.8-91.9000108.2N191N167-N191 WeakPolarHBondContact O-CB 3.42Å; N167-N191 PolarHBondContact O-ND2 2.71Å; N167-N191 VanDerWaalsContact O-ND2 3.11Å
168C95.1Very high93.5Very high46 Ų4680 Ų8031%0.31142%0.416SS..SBendtrans-43149.7164.3-44.50000112.4P170 C188 S189C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.45Å; C168-C188 HydrophobicContact CB-CB 4.06Å; C168-C188 WeakPolarHBondContact CB-SG 3.35Å; C168-C188 VanDerWaalsContact SG-CA 3.55Å; C168-C188 WeakPolarHBondContact SG-CB 3.32Å; C168-C188 CovalentContact SG-SG 2.03Å; C168-C188 PolarHBondContact SG-SG 3.06Å; C168-S189 CarbonylContact C-O 3.52Å; C168-S189 VanDerWaalsContact CA-O 3.29Å; C168-S189 WeakPolarHBondContact CA-O 3.17Å
169D95.9Very high93.2Very high11 Ų1184.3 Ų84.36%0.05946%0.46CS..  trans-57110-179.2-173.3-4.3000111.1L171 R172 S189 N191D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.16Å; D169-L171 WeakPolarHBondContact OD1-CB 3.48Å; D169-L171 WeakPolarHBondContact OD1-CG 3.45Å; D169-L171 PolarHBondContact OD1-N 3.38Å; D169-L171 VanDerWaalsContact OD1-N 3.08Å; D169-R172 HydrophobicContact CB-CG 4.09Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD2-NE 3.75Å; D169-S189 PolarHBondContact N-O 3.49Å; D169-N191 HydrophobicContact CB-CB 4.38Å
170P92.7Very high92.9Very high68 Ų6891.5 Ų91.544%0.44249%0.488SS..THydrogen-bonded Turntrans-70.8-10.9-175.831.1-36.4000112.9C168 R172 R173C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.45Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 3.11Å; P170-R173 WeakPolarHBondContact O-CD 3.17Å
171L93.1Very high92.8Very high137 Ų13787.5 Ų87.572%0.71748%0.477SS*.THydrogen-bonded Turntrans-82.5-1.1178.1-52.8177.4000113D169D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.16Å; D169-L171 WeakPolarHBondContact OD1-CB 3.48Å; D169-L171 WeakPolarHBondContact OD1-CG 3.45Å; D169-L171 PolarHBondContact OD1-N 3.38Å; D169-L171 VanDerWaalsContact OD1-N 3.08Å
172R93.2Very high92.8Very high101 Ų10188.1 Ų88.138%0.38147%0.465SS..  trans-114.478.5-178.2-58.5-58.9174.3178.6-2.7110D169 P170 W185 S189D169-R172 HydrophobicContact CB-CG 4.09Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD2-NE 3.75Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 3.11Å; R172-W185 VanDerWaalsContact C-CB 3.47Å; R172-W185 HydrophobicContact CB-CD2 3.94Å; R172-W185 HydrophobicContact CB-CE3 3.84Å; R172-W185 HydrophobicContact CB-CG 4.31Å; R172-W185 HydrophobicContact CB-CZ3 4.4Å; R172-W185 HydrophobicContact CG-CE3 4.32Å; R172-W185 HydrophobicContact CG-CZ3 4.4Å; R172-W185 VanDerWaalsContact NH1-CZ2 3.32Å; R172-S189 WeakPolarHBondContact CB-OG 3.3Å
173R91.8Very high92.8Very high185 Ų18583.3 Ų83.370%0.69844%0.443SS*.  trans-147.1153-175.1-64-179.1177.8168.8-2.3110.5P170P170-R173 WeakPolarHBondContact O-CD 3.17Å
174G92.9Very high93Very high47 Ų4785.5 Ų85.549%0.48546%0.455SS..EExtended strand (participates in β ladder)trans73.1-168.9-179.700000113.3W185G174-W185 WeakPolarHBondContact O-CB 3.13Å; G174-W185 VanDerWaalsContact O-CD1 3.28Å; G174-W185 PolarHBondContact O-N 3.34Å
175R94.6Very high93.3Very high168 Ų16877.9 Ų77.963%0.63442%0.42SS*.EExtended strand (participates in β ladder)trans-80.4146.9-174.8-164.1170.1177.4128.9-11.2112.4D182 D184R175-D182 IonicContact CZ-OD2 3.21Å; R175-D182 IonicContact NE-OD2 2.84Å; R175-D182 PolarHBondContact NE-OD2 3.33Å; R175-D182 IonicContact NH2-OD2 2.73Å; R175-D182 PolarHBondContact NH2-OD2 2.97Å; R175-D184 WeakPolarHBondContact CA-OD1 3.19Å; R175-D184 VanDerWaalsContact CB-OD1 3.29Å; R175-D184 WeakPolarHBondContact CB-OD1 3.39Å; R175-D184 WeakPolarHBondContact CG-OD1 3.3Å
176A95.3Very high93.4Very high26 Ų2675 Ų7522%0.21541%0.41CS..EExtended strand (participates in β ladder)trans-149.2-177177.100000111.4D182 F183 W185A176-D182 CarbonylContact O-C 3.42Å; A176-D182 WeakPolarHBondContact O-CA 3.33Å; A176-F183 HydrophobicContact CB-CD1 4.49Å; A176-F183 HydrophobicContact CB-CD2 4.34Å; A176-F183 HydrophobicContact CB-CE1 3.96Å; A176-F183 HydrophobicContact CB-CE2 3.8Å; A176-F183 HydrophobicContact CB-CZ 3.59Å; A176-F183 PolarHBondContact N-O 3.21Å; A176-F183 PolarHBondContact O-N 2.8Å; A176-W185 VanDerWaalsContact CB-NE1 3.3Å
177N93.9Very high93.3Very high111 Ų11178.1 Ų78.159%0.59445%0.445SS*.EExtended strand (participates in β ladder)trans-141.6143.8-169.9171.5-90.9000110.4D182N177-D182 PolarHBondContact ND2-OD1 2.79Å
178D91.6Very high93.4Very high44 Ų4474 Ų7424%0.23543%0.425CS..EExtended strand (participates in β ladder)trans-138.7-174.6164.174.519.3000111K180 G181 F183 M235 R249D178-K180 PolarHBondContact O-N 2.76Å; D178-K180 WeakPolarHBondContact OD1-CA 3.18Å; D178-K180 VanDerWaalsContact OD1-CB 3.32Å; D178-K180 WeakPolarHBondContact OD1-CB 3.41Å; D178-K180 PolarHBondContact OD1-N 2.8Å; D178-G181 PolarHBondContact N-O 2.76Å; D178-G181 PolarHBondContact O-N 3.3Å; D178-F183 HydrophobicContact CB-CE1 4.1Å; D178-M235 HydrophobicContact CB-CE 4.35Å; D178-M235 WeakPolarHBondContact OD2-CE 3.19Å; D178-R249 VanDerWaalsContact CG-NH2 3.32Å; D178-R249 IonicContact OD1-CZ 3.54Å; D178-R249 IonicContact OD1-NH1 2.73Å; D178-R249 PolarHBondContact OD1-NH1 3.22Å; D178-R249 IonicContact OD1-NH2 2.8Å; D178-R249 PolarHBondContact OD1-NH2 3.46Å; D178-R249 IonicContact OD2-CZ 2.88Å; D178-R249 IonicContact OD2-NH1 2.68Å; D178-R249 PolarHBondContact OD2-NH1 3.33Å; D178-R249 IonicContact OD2-NH2 3.5Å
179G90.6Very high93.5Very high92 Ų9272.1 Ų72.195%0.94841%0.412SS*.THydrogen-bonded Turntrans-64.60.7179.100000116.5
180K89.4Confident93.5Very high183 Ų18372.3 Ų72.380%0.79641%0.413SS*.THydrogen-bonded Turntrans-108.37.9170.5-55.3177.9179.4179.40112.3D178D178-K180 PolarHBondContact O-N 2.76Å; D178-K180 WeakPolarHBondContact OD1-CA 3.18Å; D178-K180 VanDerWaalsContact OD1-CB 3.32Å; D178-K180 WeakPolarHBondContact OD1-CB 3.41Å; D178-K180 PolarHBondContact OD1-N 2.8Å
181G91.3Very high93.7Very high30 Ų3070.3 Ų70.331%0.30940%0.399SS..EExtended strand (participates in β ladder)trans100.9-155.7-17800000113.1D178 R249D178-G181 PolarHBondContact N-O 2.76Å; D178-G181 PolarHBondContact O-N 3.3Å; G181-R249 PolarHBondContact O-NH2 2.98Å
182D94.2Very high94Very high76 Ų7663.8 Ų63.841%0.40637%0.365SS..EExtended strand (participates in β ladder)trans-72.8162.1-177.3-75.19.6000113.2R175 A176 N177 R249R175-D182 IonicContact CZ-OD2 3.21Å; R175-D182 IonicContact NE-OD2 2.84Å; R175-D182 PolarHBondContact NE-OD2 3.33Å; R175-D182 IonicContact NH2-OD2 2.73Å; R175-D182 PolarHBondContact NH2-OD2 2.97Å; A176-D182 CarbonylContact O-C 3.42Å; A176-D182 WeakPolarHBondContact O-CA 3.33Å; N177-D182 PolarHBondContact ND2-OD1 2.79Å; D182-R249 PolarHBondContact O-NE 2.82Å; D182-R249 PolarHBondContact O-NH2 3.23Å; D182-R249 VanDerWaalsContact O-NH2 3.08Å
183F95.3Very high94.2Very high8 Ų862 Ų624%0.03536%0.362CS..EExtended strand (participates in β ladder)trans-158.8160.8166.265.2-88.8000110.6A176 D178 W185 M235 R249 C251A176-F183 HydrophobicContact CB-CD1 4.49Å; A176-F183 HydrophobicContact CB-CD2 4.34Å; A176-F183 HydrophobicContact CB-CE1 3.96Å; A176-F183 HydrophobicContact CB-CE2 3.8Å; A176-F183 HydrophobicContact CB-CZ 3.59Å; A176-F183 PolarHBondContact N-O 3.21Å; A176-F183 PolarHBondContact O-N 2.8Å; D178-F183 HydrophobicContact CB-CE1 4.1Å; F183-W185 AromaticContact CE2-CD2 3.77Å; F183-W185 HydrophobicContact CE2-CD2 3.77Å; F183-W185 AromaticContact CE2-CE2 3.61Å; F183-W185 HydrophobicContact CE2-CE3 4.05Å; F183-W185 HydrophobicContact CE2-CG 4.29Å; F183-W185 HydrophobicContact CE2-CH2 4.01Å; F183-W185 AromaticContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ3 4.16Å; F183-W185 AromaticContact CZ-CE2 3.98Å; F183-W185 HydrophobicContact CZ-CH2 4.09Å; F183-W185 AromaticContact CZ-CZ2 3.72Å; F183-W185 HydrophobicContact CZ-CZ2 3.72Å; F183-M235 HydrophobicContact CD1-CE 4.32Å; F183-M235 HydrophobicContact CE1-CE 3.76Å; F183-M235 HydrophobicContact CE1-SD 4.19Å; F183-M235 HydrophobicContact CE2-CE 4.36Å; F183-M235 HydrophobicContact CE2-SD 3.98Å; F183-M235 HydrophobicContact CZ-CE 3.77Å; F183-M235 HydrophobicContact CZ-SD 3.57Å; F183-M235 VanDerWaalsContact CZ-SD 3.57Å; F183-R249 HydrophobicContact CB-CG 3.69Å; F183-C251 HydrophobicContact CD2-CB 3.55Å; F183-C251 HydrophobicContact CE2-CB 3.84Å; F183-C251 HydrophobicContact CG-CB 4.24Å
184D95.8Very high94.4Very high52 Ų5255.7 Ų55.728%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-102.2137.1170.1-68.2-60.9000110.9R175 G186 R249 T250 C251R175-D184 WeakPolarHBondContact CA-OD1 3.19Å; R175-D184 VanDerWaalsContact CB-OD1 3.29Å; R175-D184 WeakPolarHBondContact CB-OD1 3.39Å; R175-D184 WeakPolarHBondContact CG-OD1 3.3Å; D184-G186 PolarHBondContact O-N 2.91Å; D184-R249 PolarHBondContact N-O 3.2Å; D184-R249 VanDerWaalsContact N-O 3.14Å; D184-T250 CarbonylContact O-C 3.59Å; D184-T250 WeakPolarHBondContact O-CA 3.39Å; D184-C251 PolarHBondContact O-N 2.89Å
185W96.1Very high94.5Very high37 Ų3753.4 Ų53.414%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-72.7122.3169.5-70.1107.9000109.6R172 G174 A176 F183 M235 C251 M253R172-W185 VanDerWaalsContact C-CB 3.47Å; R172-W185 HydrophobicContact CB-CD2 3.94Å; R172-W185 HydrophobicContact CB-CE3 3.84Å; R172-W185 HydrophobicContact CB-CG 4.31Å; R172-W185 HydrophobicContact CB-CZ3 4.4Å; R172-W185 HydrophobicContact CG-CE3 4.32Å; R172-W185 HydrophobicContact CG-CZ3 4.4Å; R172-W185 VanDerWaalsContact NH1-CZ2 3.32Å; G174-W185 WeakPolarHBondContact O-CB 3.13Å; G174-W185 VanDerWaalsContact O-CD1 3.28Å; G174-W185 PolarHBondContact O-N 3.34Å; A176-W185 VanDerWaalsContact CB-NE1 3.3Å; F183-W185 AromaticContact CE2-CD2 3.77Å; F183-W185 HydrophobicContact CE2-CD2 3.77Å; F183-W185 AromaticContact CE2-CE2 3.61Å; F183-W185 HydrophobicContact CE2-CE3 4.05Å; F183-W185 HydrophobicContact CE2-CG 4.29Å; F183-W185 HydrophobicContact CE2-CH2 4.01Å; F183-W185 AromaticContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ3 4.16Å; F183-W185 AromaticContact CZ-CE2 3.98Å; F183-W185 HydrophobicContact CZ-CH2 4.09Å; F183-W185 AromaticContact CZ-CZ2 3.72Å; F183-W185 HydrophobicContact CZ-CZ2 3.72Å; W185-M235 HydrophobicContact CH2-CG 4.5Å; W185-M235 HydrophobicContact CH2-SD 3.71Å; W185-M235 HydrophobicContact CZ2-SD 4.49Å; W185-M235 HydrophobicContact CZ3-CG 4.44Å; W185-M235 HydrophobicContact CZ3-SD 4.11Å; W185-C251 WeakPolarHBondContact CA-O 3.12Å; W185-M253 HydrophobicContact CH2-CG 4.07Å; W185-M253 HydrophobicContact CH2-SD 3.96Å; W185-M253 HydrophobicContact CZ3-CG 3.9Å; W185-M253 HydrophobicContact CZ3-SD 4.16Å
186G91.9Very high94.7Very high21 Ų2147.2 Ų47.222%0.21630%0.295CS..  trans-160.8173178.600000112.9D184 T250 C251D184-G186 PolarHBondContact O-N 2.91Å; G186-T250 VanDerWaalsContact CA-CG2 3.45Å; G186-C251 PolarHBondContact N-O 2.89Å; G186-C251 VanDerWaalsContact N-O 3.09Å
187G90.6Very high94.8Very high76 Ų7653.2 Ų53.278%0.78432%0.316SS*.SBendtrans71.6-153-163.900000111.5
188C95.1Very high94.9Very high36 Ų3648.8 Ų48.824%0.24329%0.291CS..  trans-109.6114.9178.9-171.10000110.5S159 C168S159-C188 VanDerWaalsContact CA-SG 3.54Å; S159-C188 WeakPolarHBondContact CB-SG 3.36Å; C168-C188 HydrophobicContact CB-CB 4.06Å; C168-C188 WeakPolarHBondContact CB-SG 3.35Å; C168-C188 VanDerWaalsContact SG-CA 3.55Å; C168-C188 WeakPolarHBondContact SG-CB 3.32Å; C168-C188 CovalentContact SG-SG 2.03Å; C168-C188 PolarHBondContact SG-SG 3.06Å
189S97.3Very high95.1Very high5 Ų546.7 Ų46.74%0.03528%0.28CS..  trans-84.1133.3169.4-72.70000111.2C168 D169 R172 N191 W252 M253C168-S189 CarbonylContact C-O 3.52Å; C168-S189 VanDerWaalsContact CA-O 3.29Å; C168-S189 WeakPolarHBondContact CA-O 3.17Å; D169-S189 PolarHBondContact N-O 3.49Å; R172-S189 WeakPolarHBondContact CB-OG 3.3Å; S189-N191 PolarHBondContact O-N 3.07Å; S189-W252 WeakPolarHBondContact OG-CA 3.43Å; S189-M253 CarbonylContact C-O 3.51Å; S189-M253 WeakPolarHBondContact CA-O 3.46Å; S189-M253 PolarHBondContact OG-N 2.94Å
190D97.6Very high95.4Very high16 Ų1648.1 Ų48.19%0.08626%0.261CS..  trans-65.5119.2-177.8-89.6-43.6000113T155 S159 V192 M233 M253 A254 L255T155-D190 HydrophobicContact CG2-CB 3.72Å; S159-D190 WeakPolarHBondContact CB-OD1 3.4Å; S159-D190 PolarHBondContact OG-OD1 3.26Å; D190-V192 PolarHBondContact O-N 3.18Å; D190-M233 HydrophobicContact CB-SD 4.23Å; D190-M233 WeakPolarHBondContact O-CE 3.4Å; D190-M253 PolarHBondContact N-O 2.95Å; D190-A254 VanDerWaalsContact OD2-CA 3.32Å; D190-A254 WeakPolarHBondContact OD2-CA 3.48Å; D190-L255 HydrophobicContact CB-CG 4.21Å; D190-L255 WeakPolarHBondContact OD2-CG 3.49Å; D190-L255 PolarHBondContact OD2-N 2.91Å
191N96.9Very high95.6Very high25 Ų2542.3 Ų42.313%0.13424%0.24CC..  trans-83.260.9-176.3-162.8-19.4000112.7N167 D169 S189 N193 Y194 G195N167-N191 WeakPolarHBondContact O-CB 3.42Å; N167-N191 PolarHBondContact O-ND2 2.71Å; N167-N191 VanDerWaalsContact O-ND2 3.11Å; D169-N191 HydrophobicContact CB-CB 4.38Å; S189-N191 PolarHBondContact O-N 3.07Å; N191-N193 PolarHBondContact O-N 3.36Å; N191-Y194 WeakPolarHBondContact O-CB 3.21Å; N191-Y194 PolarHBondContact O-N 3.32Å; N191-Y194 PolarHBondContact OD1-N 2.81Å; N191-G195 PolarHBondContact O-N 2.98Å
192V97.7Very high95.7Very high1 Ų141.3 Ų41.31%0.00623%0.228CC..Hα-helixtrans-59.2-23.3-177.976.10000113.1V151 T155 D190 G195 I196 V229 K230 M233V151-V192 HydrophobicContact CG1-CG2 3.75Å; T155-V192 HydrophobicContact CG2-CB 4.09Å; T155-V192 WeakPolarHBondContact OG1-CA 3.44Å; D190-V192 PolarHBondContact O-N 3.18Å; V192-G195 PolarHBondContact O-N 2.73Å; V192-I196 HydrophobicContact CG2-CD1 4.23Å; V192-I196 HydrophobicContact CG2-CG1 4.48Å; V192-I196 WeakPolarHBondContact O-CB 3.4Å; V192-I196 VanDerWaalsContact O-CG1 3.23Å; V192-I196 WeakPolarHBondContact O-CG1 3.35Å; V192-I196 PolarHBondContact O-N 2.66Å; V192-V229 HydrophobicContact CG2-CG1 4.05Å; V192-K230 HydrophobicContact CG1-CB 4.05Å; V192-K230 HydrophobicContact CG1-CD 4.04Å; V192-K230 HydrophobicContact CG1-CG 3.9Å; V192-K230 HydrophobicContact CG2-CB 4.1Å; V192-M233 HydrophobicContact CB-CE 4.24Å; V192-M233 HydrophobicContact CB-CG 4.4Å; V192-M233 HydrophobicContact CB-SD 3.7Å; V192-M233 HydrophobicContact CG1-CE 3.68Å; V192-M233 HydrophobicContact CG1-CG 4.01Å; V192-M233 HydrophobicContact CG1-SD 3.65Å; V192-M233 HydrophobicContact CG2-SD 4.37Å
193N97.3Very high95.7Very high62 Ų6239.2 Ų39.233%0.33222%0.216SC..Hα-helixtrans-68-38.7176-59.2-56.4000111.8N191 K197 K230N191-N193 PolarHBondContact O-N 3.36Å; N193-K197 WeakPolarHBondContact O-CB 3.04Å; N193-K197 PolarHBondContact O-N 2.87Å; N193-K230 PolarHBondContact OD1-NZ 2.93Å
194Y96.3Very high95.7Very high53 Ų5339.9 Ų39.921%0.20822%0.22CC..Hα-helixtrans-63-50.2171.5178.3-89.6000110.9I92 C158 C166 N191 I196 K197 F198I92-Y194 VanDerWaalsContact CD1-OH 3.3Å; I92-Y194 WeakPolarHBondContact CD1-OH 3.27Å; C158-Y194 WeakPolarHBondContact SG-CD1 3.4Å; C158-Y194 VanDerWaalsContact SG-CE1 3.57Å; C166-Y194 HydrophobicContact CB-CD1 3.75Å; C166-Y194 HydrophobicContact CB-CD2 4.01Å; C166-Y194 HydrophobicContact CB-CE1 3.6Å; C166-Y194 HydrophobicContact CB-CE2 3.86Å; C166-Y194 HydrophobicContact CB-CG 3.96Å; N191-Y194 WeakPolarHBondContact O-CB 3.21Å; N191-Y194 PolarHBondContact O-N 3.32Å; N191-Y194 PolarHBondContact OD1-N 2.81Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.98Å; Y194-K197 PolarHBondContact O-N 3.05Å; Y194-F198 PolarHBondContact O-N 2.87Å
195G96.5Very high95.5Very high0 Ų038.5 Ų38.50%022%0.215CC..Hα-helixtrans-54.1-47.517700000112.3N191 V192 K197 F198 A199N191-G195 PolarHBondContact O-N 2.98Å; V192-G195 PolarHBondContact O-N 2.73Å; G195-K197 PolarHBondContact O-N 2.95Å; G195-F198 PolarHBondContact O-N 3.05Å; G195-A199 WeakPolarHBondContact O-CB 3.07Å; G195-A199 PolarHBondContact O-N 2.7Å
196I97.9Very high95.2Very high37 Ų3741.6 Ų41.619%0.1923%0.23CC..Hα-helixtrans-61.3-42.2175.8-70.3170.5000112.2V151 V192 Y194 K200 R226 K230V151-I196 HydrophobicContact CG1-CG1 3.75Å; V151-I196 HydrophobicContact CG2-CB 4.47Å; V151-I196 HydrophobicContact CG2-CG1 3.89Å; V192-I196 HydrophobicContact CG2-CD1 4.23Å; V192-I196 HydrophobicContact CG2-CG1 4.48Å; V192-I196 WeakPolarHBondContact O-CB 3.4Å; V192-I196 VanDerWaalsContact O-CG1 3.23Å; V192-I196 WeakPolarHBondContact O-CG1 3.35Å; V192-I196 PolarHBondContact O-N 2.66Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.98Å; I196-K200 VanDerWaalsContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CB 3.3Å; I196-K200 PolarHBondContact O-N 3.28Å; I196-R226 WeakPolarHBondContact CD1-O 3.49Å; I196-R226 HydrophobicContact CG1-CB 4.29Å; I196-R226 HydrophobicContact CG2-CB 4.47Å; I196-K230 HydrophobicContact CD1-CB 3.78Å; I196-K230 HydrophobicContact CD1-CD 3.99Å; I196-K230 HydrophobicContact CD1-CG 4.5Å
197K97.1Very high95.1Very high153 Ų15341.9 Ų41.967%0.66523%0.226SC*.Hα-helixtrans-65.2-45179.4-174.4-179.5178-1760111.2N193 Y194 G195 T201N193-K197 WeakPolarHBondContact O-CB 3.04Å; N193-K197 PolarHBondContact O-N 2.87Å; Y194-K197 PolarHBondContact O-N 3.05Å; G195-K197 PolarHBondContact O-N 2.95Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 VanDerWaalsContact O-N 3.08Å; K197-T201 PolarHBondContact O-OG1 3.45Å
198F95.3Very high94.9Very high17 Ų1748 Ų488%0.07523%0.225CC..Hα-helixtrans-67.9-51.5177.1-167-80.3000111.6L85 I92 I96 L154 Y194 G195 K200 T201 F202L85-F198 HydrophobicContact CB-CZ 4.46Å; I92-F198 HydrophobicContact CD1-CD2 4.08Å; I92-F198 HydrophobicContact CD1-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CD1 4.01Å; I92-F198 HydrophobicContact CG2-CD2 4.3Å; I92-F198 HydrophobicContact CG2-CE1 3.55Å; I92-F198 HydrophobicContact CG2-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CG 4.38Å; I92-F198 HydrophobicContact CG2-CZ 3.5Å; I92-F198 VanDerWaalsContact CG2-CZ 3.5Å; I96-F198 HydrophobicContact CD1-CE1 3.97Å; L154-F198 HydrophobicContact CD1-CB 3.98Å; L154-F198 HydrophobicContact CD1-CD1 3.44Å; L154-F198 VanDerWaalsContact CD1-CD1 3.44Å; L154-F198 HydrophobicContact CD1-CE1 4.27Å; L154-F198 HydrophobicContact CD1-CG 3.9Å; Y194-F198 PolarHBondContact O-N 2.87Å; G195-F198 PolarHBondContact O-N 3.05Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.45Å; F198-T201 CarbonylContact O-C 3.6Å; F198-T201 WeakPolarHBondContact O-CA 3.4Å; F198-T201 PolarHBondContact O-N 3.3Å; F198-F202 HydrophobicContact CD1-CB 4Å; F198-F202 HydrophobicContact CE1-CB 3.58Å; F198-F202 HydrophobicContact CE1-CD2 4.14Å; F198-F202 AromaticContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CZ-CB 4.31Å; F198-F202 HydrophobicContact CZ-CD2 4.41Å; F198-F202 WeakPolarHBondContact O-CB 3.31Å; F198-F202 PolarHBondContact O-N 2.99Å
199A96Very high94.1Very high0 Ų048.8 Ų48.80%023%0.229CC..Hα-helixtrans-56.4-40179.300000112.2V150 V151 G195 I203 R226V150-A199 HydrophobicContact CB-CB 4.3Å; V150-A199 HydrophobicContact CG1-CB 3.75Å; V151-A199 HydrophobicContact CG2-CB 3.45Å; V151-A199 VanDerWaalsContact CG2-CB 3.45Å; G195-A199 WeakPolarHBondContact O-CB 3.07Å; G195-A199 PolarHBondContact O-N 2.7Å; A199-I203 VanDerWaalsContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CB 3.38Å; A199-I203 WeakPolarHBondContact O-CG1 3.4Å; A199-I203 PolarHBondContact O-N 2.99Å; A199-R226 HydrophobicContact CB-CG 4.28Å
200K96.9Very high93.1Very high123 Ų12355.8 Ų55.854%0.53527%0.265SS..Hα-helixtrans-61-49.4170.4177.8169.2-177.8-177.80111.6I196 F198 F202 D204I196-K200 VanDerWaalsContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CB 3.3Å; I196-K200 PolarHBondContact O-N 3.28Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.45Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.03Å; K200-D204 VanDerWaalsContact O-CB 3.24Å; K200-D204 WeakPolarHBondContact O-CB 3.37Å; K200-D204 PolarHBondContact O-N 2.91Å
201T95.2Very high91.9Very high60 Ų6065.9 Ų65.937%0.36830%0.302SS..Hα-helixtrans-67.6-28.9-174.7-53.50000113L85 K197 F198L85-T201 HydrophobicContact CD1-CG2 4.26Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 VanDerWaalsContact O-N 3.08Å; K197-T201 PolarHBondContact O-OG1 3.45Å; F198-T201 CarbonylContact O-C 3.6Å; F198-T201 WeakPolarHBondContact O-CA 3.4Å; F198-T201 PolarHBondContact O-N 3.3Å
202F93.4Very high91.4Very high10 Ų1068 Ų684%0.04431%0.313CS..Hα-helixtrans-93.8-49-178.1-177.7-95000114.1L78 Q82 L85 M93 I96 F198 K200 A205L78-F202 HydrophobicContact CD2-CZ 4.04Å; Q82-F202 HydrophobicContact CB-CD2 4.22Å; Q82-F202 HydrophobicContact CB-CE2 3.68Å; Q82-F202 HydrophobicContact CB-CZ 4.15Å; Q82-F202 HydrophobicContact CG-CD2 4.09Å; Q82-F202 HydrophobicContact CG-CE2 3.91Å; Q82-F202 HydrophobicContact CG-CZ 4.23Å; Q82-F202 WeakPolarHBondContact CG-O 3.41Å; Q82-F202 PolarHBondContact NE2-O 3.49Å; L85-F202 HydrophobicContact CB-CD2 4.06Å; L85-F202 HydrophobicContact CD1-CB 4.16Å; L85-F202 HydrophobicContact CD1-CD2 3.94Å; M93-F202 HydrophobicContact CE-CE2 4.32Å; M93-F202 HydrophobicContact CE-CZ 3.82Å; M93-F202 HydrophobicContact SD-CD2 4.39Å; M93-F202 HydrophobicContact SD-CE1 4.39Å; M93-F202 HydrophobicContact SD-CE2 3.56Å; M93-F202 VanDerWaalsContact SD-CE2 3.56Å; M93-F202 HydrophobicContact SD-CZ 3.56Å; M93-F202 VanDerWaalsContact SD-CZ 3.56Å; I96-F202 HydrophobicContact CD1-CD1 4.49Å; F198-F202 HydrophobicContact CD1-CB 4Å; F198-F202 HydrophobicContact CE1-CB 3.58Å; F198-F202 HydrophobicContact CE1-CD2 4.14Å; F198-F202 AromaticContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CZ-CB 4.31Å; F198-F202 HydrophobicContact CZ-CD2 4.41Å; F198-F202 WeakPolarHBondContact O-CB 3.31Å; F198-F202 PolarHBondContact O-N 2.99Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.03Å; F202-A205 WeakPolarHBondContact O-CB 3.43Å
203I93.7Very high90.9Very high32 Ų3268.4 Ų68.416%0.16432%0.318CS..Hα-helixtrans-73.4-47.1-176.1-58.1-66.7000110.6V150 A199 A205V150-I203 HydrophobicContact CG1-CG1 4.49Å; V150-I203 HydrophobicContact CG2-CD1 3.97Å; V150-I203 HydrophobicContact CG2-CG1 4.42Å; A199-I203 VanDerWaalsContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CB 3.38Å; A199-I203 WeakPolarHBondContact O-CG1 3.4Å; A199-I203 PolarHBondContact O-N 2.99Å; I203-A205 PolarHBondContact O-N 3.17Å; I203-A205 VanDerWaalsContact O-N 3.07Å
204D94.8Very high90.6Very high22 Ų2269.4 Ų69.412%0.11832%0.317CS..G310 helixtrans-70.3-5.9-179.3-61-1.1000112.7K200 K206 E207 L219 N222 R226K200-D204 VanDerWaalsContact O-CB 3.24Å; K200-D204 WeakPolarHBondContact O-CB 3.37Å; K200-D204 PolarHBondContact O-N 2.91Å; D204-K206 PolarHBondContact O-N 3.19Å; D204-E207 PolarHBondContact O-N 3.04Å; D204-L219 HydrophobicContact CB-CD2 3.43Å; D204-L219 VanDerWaalsContact CB-CD2 3.43Å; D204-N222 PolarHBondContact OD1-ND2 2.98Å; D204-R226 VanDerWaalsContact CG-NH2 3.34Å; D204-R226 IonicContact OD1-CZ 3.28Å; D204-R226 IonicContact OD1-NH1 2.77Å; D204-R226 PolarHBondContact OD1-NH1 3.16Å; D204-R226 IonicContact OD1-NH2 3.92Å; D204-R226 PolarHBondContact OD1-NH2 2.84Å; D204-R226 IonicContact OD2-CZ 2.72Å; D204-R226 IonicContact OD2-NH1 3.94Å; D204-R226 IonicContact OD2-NH2 3.28Å; D204-R226 PolarHBondContact OD2-NH2 3.27Å
205A92.5Very high90.4Very high22 Ų2266.9 Ų66.918%0.18231%0.307CS..G310 helixtrans-66.7-18.6-179.700000114.5K81 Q82 F202 I203K81-A205 HydrophobicContact CB-CB 4.25Å; K81-A205 HydrophobicContact CD-CB 3.87Å; K81-A205 HydrophobicContact CG-CB 4Å; Q82-A205 HydrophobicContact CG-CB 3.94Å; F202-A205 WeakPolarHBondContact O-CB 3.43Å; I203-A205 PolarHBondContact O-N 3.17Å; I203-A205 VanDerWaalsContact O-N 3.07Å
206K88.3Confident90.3Very high103 Ų10368.1 Ų68.145%0.44831%0.314SS..G310 helixtrans-83.6-28.7175.9-176.4172.7177.9176.30112.5V79 D204V79-K206 HydrophobicContact CG1-CB 4.33Å; V79-K206 HydrophobicContact CG1-CG 4.08Å; D204-K206 PolarHBondContact O-N 3.19Å
207E90.6Very high90.2Very high27 Ų2766.4 Ų66.413%0.12631%0.305CS..  trans-81.5133.6-169.8-50.7-52.3138.500111.7D204 A215 N218 L219D204-E207 PolarHBondContact O-N 3.04Å; E207-A215 HydrophobicContact CB-CB 4.21Å; E207-N218 HydrophobicContact CG-CB 4.03Å; E207-N218 WeakPolarHBondContact OE2-CB 3.29Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å; E207-L219 HydrophobicContact CB-CD1 4.34Å; E207-L219 HydrophobicContact CB-CD2 3.86Å; E207-L219 HydrophobicContact CB-CG 3.87Å; E207-L219 HydrophobicContact CG-CD2 4.17Å; E207-L219 HydrophobicContact CG-CG 4.28Å
208R85.9Confident90.1Very high205 Ų20559.3 Ų59.377%0.77427%0.274SS*.  trans-12289-179.1-66.3-175.1-180-1690.6110.2I210R208-I210 PolarHBondContact O-N 3.04Å
209P77.9Confident90.1Very high51 Ų5160.3 Ų60.333%0.33128%0.28SS..  trans-70.5-5.4-166.926.6-35.2000116.2R211 L216 L219P209-R211 PolarHBondContact O-N 3.41Å; P209-L216 HydrophobicContact CB-CD2 3.6Å; P209-L216 HydrophobicContact CB-CG 3.88Å; P209-L219 HydrophobicContact CB-CD1 3.8Å; P209-L219 HydrophobicContact CG-CD1 3.91Å
210I77.3Confident90.1Very high153 Ų15361.5 Ų61.579%0.78529%0.286SS*.SBendtrans-72.9103.2-173.6-59.5175.9000109.3R208 D212R208-I210 PolarHBondContact O-N 3.04Å; I210-D212 PolarHBondContact O-N 3.46Å
211R72.8Confident90.2Very high227 Ų22755.7 Ų55.786%0.85726%0.26SS*.SBendtrans62.215.2-178.3-47.8179.199.4-178.66.2114.6P209P209-R211 PolarHBondContact O-N 3.41Å
212D85.8Confident90.3Very high69 Ų6952.8 Ų52.837%0.36924%0.243SC..  trans-111.4107.6172.1179.14.4000110.3I210 R214 A215 L216I210-D212 PolarHBondContact O-N 3.46Å; D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 WeakPolarHBondContact OD1-CA 3.41Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.17Å; D212-A215 HydrophobicContact CB-CB 4.02Å; D212-A215 PolarHBondContact OD1-N 3.33Å; D212-A215 WeakPolarHBondContact OD2-CB 3.44Å; D212-L216 PolarHBondContact O-N 3.45Å
213G88.3Confident90.5Very high11 Ų1158.2 Ų58.211%0.11326%0.263CS..Hα-helixtrans-65.1-35.2176.300000113.4A215 L216 M217 M277 F302G213-A215 PolarHBondContact O-N 3.06Å; G213-L216 WeakPolarHBondContact O-CB 3.37Å; G213-L216 PolarHBondContact O-N 3.43Å; G213-L216 VanDerWaalsContact O-N 3.12Å; G213-M217 PolarHBondContact O-N 2.93Å; G213-M277 WeakPolarHBondContact CA-SD 3.36Å; G213-F302 WeakPolarHBondContact O-CE2 3.48Å
214R90.9Very high90.7Very high83 Ų8356.7 Ų56.731%0.31326%0.255SS..Hα-helixtrans-63.7-45.9179.5-174.8173-68.4164.6-3.2110.3L133 S135 D212 L216 M217 N218 E303L133-R214 PolarHBondContact O-NH1 2.88Å; L133-R214 PolarHBondContact O-NH2 3.36Å; S135-R214 PolarHBondContact OG-NE 2.99Å; S135-R214 PolarHBondContact OG-NH2 3.49Å; D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 WeakPolarHBondContact OD1-CA 3.41Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.17Å; R214-L216 VanDerWaalsContact C-N 3.31Å; R214-L216 PolarHBondContact O-N 3.13Å; R214-M217 HydrophobicContact CG-CE 3.97Å; R214-M217 PolarHBondContact O-N 3.26Å; R214-N218 WeakPolarHBondContact O-CB 3.43Å; R214-N218 PolarHBondContact O-N 2.94Å; R214-N218 PolarHBondContact O-ND2 2.88Å; R214-N218 PolarHBondContact O-OD1 3.24Å; R214-E303 IonicContact CZ-OE1 3.84Å; R214-E303 IonicContact NH2-OE1 3.51Å; R214-E303 PolarHBondContact NH2-OE1 3.42Å
215A92.3Very high90.9Very high0 Ų055.7 Ų55.70%025%0.25CC..Hα-helixtrans-57.2-40.7172.400000112.7E207 D212 G213 N218 L219E207-A215 HydrophobicContact CB-CB 4.21Å; D212-A215 HydrophobicContact CB-CB 4.02Å; D212-A215 PolarHBondContact OD1-N 3.33Å; D212-A215 WeakPolarHBondContact OD2-CB 3.44Å; G213-A215 PolarHBondContact O-N 3.06Å; A215-N218 PolarHBondContact O-N 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 2.8Å
216L93.3Very high91.1Very high26 Ų2655 Ų5514%0.13624%0.243CC..Hα-helixtrans-65.4-41.7176.4-74.1164.5000113.1P209 D212 G213 R214 H220 M277 F284P209-L216 HydrophobicContact CB-CD2 3.6Å; P209-L216 HydrophobicContact CB-CG 3.88Å; D212-L216 PolarHBondContact O-N 3.45Å; G213-L216 WeakPolarHBondContact O-CB 3.37Å; G213-L216 PolarHBondContact O-N 3.43Å; G213-L216 VanDerWaalsContact O-N 3.12Å; R214-L216 VanDerWaalsContact C-N 3.31Å; R214-L216 PolarHBondContact O-N 3.13Å; L216-H220 WeakPolarHBondContact O-CB 3.46Å; L216-H220 PolarHBondContact O-N 2.9Å; L216-H220 VanDerWaalsContact O-N 3.09Å; L216-M277 HydrophobicContact CD1-CE 3.57Å; L216-M277 HydrophobicContact CD1-SD 3.94Å; L216-F284 HydrophobicContact CB-CD1 4.49Å
217M95.1Very high91.6Very high1 Ų152.5 Ų52.51%0.00524%0.236CC..Hα-helixtrans-61.6-46.3171.5164.8-163.981.100111.3G213 R214 L219 H220 N221 V300 F302G213-M217 PolarHBondContact O-N 2.93Å; R214-M217 HydrophobicContact CG-CE 3.97Å; R214-M217 PolarHBondContact O-N 3.26Å; M217-L219 PolarHBondContact O-N 2.88Å; M217-H220 PolarHBondContact O-N 2.89Å; M217-N221 WeakPolarHBondContact CG-ND2 3.46Å; M217-N221 WeakPolarHBondContact O-CB 3.35Å; M217-N221 PolarHBondContact O-N 2.93Å; M217-N221 PolarHBondContact O-ND2 3.47Å; M217-V300 HydrophobicContact CB-CG2 4.32Å; M217-V300 HydrophobicContact CG-CG2 4.17Å; M217-V300 WeakPolarHBondContact CG-O 3.14Å; M217-F302 HydrophobicContact CB-CD2 3.99Å; M217-F302 HydrophobicContact CB-CE2 3.63Å; M217-F302 HydrophobicContact SD-CD2 4.09Å
218N95.4Very high91.9Very high4 Ų451.3 Ų51.32%0.02123%0.23CC..Hα-helixtrans-58.2-50.8179.5-65.8-9.9000110.4Y143 E207 R214 A215 H220 N221 N222Y143-N218 HydrophobicContact CD1-CB 4.12Å; Y143-N218 WeakPolarHBondContact CD2-OD1 3.4Å; Y143-N218 HydrophobicContact CE1-CB 3.95Å; Y143-N218 WeakPolarHBondContact CE2-OD1 3.38Å; Y143-N218 HydrophobicContact CG-CB 4.48Å; Y143-N218 VanDerWaalsContact CZ-ND2 3.34Å; Y143-N218 VanDerWaalsContact CZ-OD1 3.29Å; Y143-N218 PolarHBondContact OH-ND2 2.98Å; Y143-N218 VanDerWaalsContact OH-ND2 3.09Å; E207-N218 HydrophobicContact CG-CB 4.03Å; E207-N218 WeakPolarHBondContact OE2-CB 3.29Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å; R214-N218 WeakPolarHBondContact O-CB 3.43Å; R214-N218 PolarHBondContact O-N 2.94Å; R214-N218 PolarHBondContact O-ND2 2.88Å; R214-N218 PolarHBondContact O-OD1 3.24Å; A215-N218 PolarHBondContact O-N 3.26Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 3.35Å; N218-N221 PolarHBondContact O-N 2.84Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 2.92Å; N218-N222 PolarHBondContact O-ND2 2.82Å; N218-N222 PolarHBondContact O-OD1 3.16Å
219L95.8Very high92.5Very high38 Ų3841.7 Ų41.720%0.19919%0.194CC..Hα-helixtrans-57.5-40.1176.6-70.8170.1000113.2D204 E207 P209 A215 M217 R223D204-L219 HydrophobicContact CB-CD2 3.43Å; D204-L219 VanDerWaalsContact CB-CD2 3.43Å; E207-L219 HydrophobicContact CB-CD1 4.34Å; E207-L219 HydrophobicContact CB-CD2 3.86Å; E207-L219 HydrophobicContact CB-CG 3.87Å; E207-L219 HydrophobicContact CG-CD2 4.17Å; E207-L219 HydrophobicContact CG-CG 4.28Å; P209-L219 HydrophobicContact CB-CD1 3.8Å; P209-L219 HydrophobicContact CG-CD1 3.91Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 2.8Å; M217-L219 PolarHBondContact O-N 2.88Å; L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 2.88Å; L219-R223 VanDerWaalsContact O-N 3.07Å
220H96.6Very high93.4Very high25 Ų2544.1 Ų44.112%0.11620%0.2CC..Hα-helixtrans-70.8-46.8178.2177.891000112.3L216 M217 N218 R223 C224 F284 T295 D298 V300L216-H220 WeakPolarHBondContact O-CB 3.46Å; L216-H220 PolarHBondContact O-N 2.9Å; L216-H220 VanDerWaalsContact O-N 3.09Å; M217-H220 PolarHBondContact O-N 2.89Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 3.35Å; H220-R223 WeakPolarHBondContact O-CB 3.25Å; H220-R223 PolarHBondContact O-N 2.7Å; H220-C224 PolarHBondContact O-N 3.33Å; H220-F284 HydrophobicContact CB-CE1 4.18Å; H220-F284 HydrophobicContact CB-CZ 4.08Å; H220-F284 AromaticContact CG-CZ 3.8Å; H220-F284 AromaticContact ND1-CZ 3.75Å; H220-T295 PolarHBondContact CE1-O 3.48Å; H220-D298 PolarHBondContact NE2-O 3.18Å; H220-V300 HydrophobicContact CB-CG2 4.49Å
221N98.1Very high94.3Very high0 Ų044.4 Ų44.40%019%0.191CC..Hα-helixtrans-67.9-41.8179.5-69.3-30.9000111.5A140 A144 M217 N218 R223 C224 G225 L299 V300A140-N221 WeakPolarHBondContact CA-ND2 3.26Å; A140-N221 WeakPolarHBondContact CB-ND2 3.48Å; A144-N221 WeakPolarHBondContact CA-O 3.24Å; A144-N221 WeakPolarHBondContact CB-O 3.25Å; M217-N221 WeakPolarHBondContact CG-ND2 3.46Å; M217-N221 WeakPolarHBondContact O-CB 3.35Å; M217-N221 PolarHBondContact O-N 2.93Å; M217-N221 PolarHBondContact O-ND2 3.47Å; N218-N221 PolarHBondContact O-N 2.84Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.19Å; N221-C224 WeakPolarHBondContact O-CB 3.08Å; N221-C224 PolarHBondContact O-N 2.86Å; N221-G225 PolarHBondContact O-N 3.08Å; N221-L299 HydrophobicContact CB-CD2 4.19Å; N221-L299 WeakPolarHBondContact OD1-CA 3.18Å; N221-L299 WeakPolarHBondContact OD1-CD2 3.37Å; N221-V300 PolarHBondContact ND2-O 3.14Å; N221-V300 PolarHBondContact OD1-N 3.06Å
222N97.8Very high95.4Very high0 Ų035.7 Ų35.70%016%0.159CC..Hα-helixtrans-53.5-48.4169.3-71.5-11.3000111.1Y143 D204 N218 G225 R226Y143-N222 WeakPolarHBondContact CB-OD1 3.43Å; Y143-N222 WeakPolarHBondContact CD1-OD1 3.28Å; Y143-N222 PolarHBondContact O-OD1 3.02Å; D204-N222 PolarHBondContact OD1-ND2 2.98Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 2.92Å; N218-N222 PolarHBondContact O-ND2 2.82Å; N218-N222 PolarHBondContact O-OD1 3.16Å; N222-G225 PolarHBondContact O-N 3.49Å; N222-R226 WeakPolarHBondContact O-CG 3.36Å; N222-R226 PolarHBondContact O-N 3.31Å
223R97.8Very high95.9Very high124 Ų12434.2 Ų34.247%0.46815%0.151SC..Hα-helixtrans-58.2-49176.6176.8-168.3-178.3156.68.1111.2L219 H220 N221 G225 R226 T227L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 2.88Å; L219-R223 VanDerWaalsContact O-N 3.07Å; H220-R223 WeakPolarHBondContact O-CB 3.25Å; H220-R223 PolarHBondContact O-N 2.7Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.19Å; R223-G225 VanDerWaalsContact C-N 3.3Å; R223-G225 PolarHBondContact O-N 2.91Å; R223-R226 PolarHBondContact O-N 2.87Å; R223-T227 PolarHBondContact O-N 3.08Å; R223-T227 PolarHBondContact O-OG1 3.47Å
224C98.1Very high96.2Very high0 Ų037.2 Ų37.20%016%0.164CC..Hα-helixtrans-55-47.5178.8-177.20000111H220 N221 T227 A228 L299H220-C224 PolarHBondContact O-N 3.33Å; N221-C224 WeakPolarHBondContact O-CB 3.08Å; N221-C224 PolarHBondContact O-N 2.86Å; C224-T227 WeakPolarHBondContact CA-OG1 3.42Å; C224-T227 PolarHBondContact O-N 2.73Å; C224-T227 PolarHBondContact O-OG1 2.96Å; C224-A228 PolarHBondContact O-N 2.91Å; C224-L299 HydrophobicContact CB-CD2 3.99Å
225G98Very high96.4Very high0 Ų035.9 Ų35.90%016%0.162CC..Hα-helixtrans-54.4-55.2173.600000113.8A144 A148 N221 N222 R223 T227 A228A144-G225 WeakPolarHBondContact O-CA 3.28Å; A148-G225 WeakPolarHBondContact CB-O 3.19Å; N221-G225 PolarHBondContact O-N 3.08Å; N222-G225 PolarHBondContact O-N 3.49Å; R223-G225 VanDerWaalsContact C-N 3.3Å; R223-G225 PolarHBondContact O-N 2.91Å; G225-T227 VanDerWaalsContact C-N 3.28Å; G225-T227 PolarHBondContact O-N 3.06Å; G225-A228 WeakPolarHBondContact O-CB 3.32Å; G225-A228 PolarHBondContact O-N 3.25Å
226R97.8Very high96.5Very high9 Ų939.6 Ų39.63%0.03418%0.18CC..Hα-helixtrans-58.1-37.8178-67.3-173.4-68.8-112.16.3113S147 V151 I196 A199 D204 N222 R223S147-R226 WeakPolarHBondContact OG-CG 3.48Å; S147-R226 PolarHBondContact OG-NH1 3.02Å; V151-R226 HydrophobicContact CG2-CB 3.95Å; V151-R226 HydrophobicContact CG2-CG 3.61Å; I196-R226 WeakPolarHBondContact CD1-O 3.49Å; I196-R226 HydrophobicContact CG1-CB 4.29Å; I196-R226 HydrophobicContact CG2-CB 4.47Å; A199-R226 HydrophobicContact CB-CG 4.28Å; D204-R226 VanDerWaalsContact CG-NH2 3.34Å; D204-R226 IonicContact OD1-CZ 3.28Å; D204-R226 IonicContact OD1-NH1 2.77Å; D204-R226 PolarHBondContact OD1-NH1 3.16Å; D204-R226 IonicContact OD1-NH2 3.92Å; D204-R226 PolarHBondContact OD1-NH2 2.84Å; D204-R226 IonicContact OD2-CZ 2.72Å; D204-R226 IonicContact OD2-NH1 3.94Å; D204-R226 IonicContact OD2-NH2 3.28Å; D204-R226 PolarHBondContact OD2-NH2 3.27Å; N222-R226 WeakPolarHBondContact O-CG 3.36Å; N222-R226 PolarHBondContact O-N 3.31Å; R223-R226 PolarHBondContact O-N 2.87Å
227T97.3Very high96.5Very high50 Ų5040.8 Ų40.831%0.30719%0.189SC..Hα-helixtrans-74.8-24.1176.249.80000113.9R223 C224 G225 R231R223-T227 PolarHBondContact O-N 3.08Å; R223-T227 PolarHBondContact O-OG1 3.47Å; C224-T227 WeakPolarHBondContact CA-OG1 3.42Å; C224-T227 PolarHBondContact O-N 2.73Å; C224-T227 PolarHBondContact O-OG1 2.96Å; G225-T227 VanDerWaalsContact C-N 3.28Å; G225-T227 PolarHBondContact O-N 3.06Å; T227-R231 PolarHBondContact O-N 2.67Å
228A97.8Very high96.5Very high1 Ų146.9 Ų46.91%0.00822%0.216CC..Hα-helixtrans-66.1-42.917800000111.6C224 G225 K230 R231 F232 T261 Y264 L265C224-A228 PolarHBondContact O-N 2.91Å; G225-A228 WeakPolarHBondContact O-CB 3.32Å; G225-A228 PolarHBondContact O-N 3.25Å; A228-K230 PolarHBondContact O-N 3.35Å; A228-R231 VanDerWaalsContact O-CB 3.28Å; A228-R231 WeakPolarHBondContact O-CB 3.35Å; A228-R231 PolarHBondContact O-N 2.75Å; A228-F232 WeakPolarHBondContact O-CD2 3.25Å; A228-F232 PolarHBondContact O-N 2.86Å; A228-T261 HydrophobicContact CB-CG2 3.91Å; A228-Y264 HydrophobicContact CB-CD1 3.72Å; A228-Y264 HydrophobicContact CB-CE1 3.94Å; A228-L265 HydrophobicContact CB-CD1 4.48Å; A228-L265 HydrophobicContact CB-CD2 3.98Å; A228-L265 HydrophobicContact CB-CG 4.16Å
229V97.9Very high96.4Very high3 Ų349 Ų492%0.01823%0.23CC..Hα-helixtrans-56.9-50.2176.4-175.50000111.1A148 V151 Y152 V192 R231 F232 M233 L255 T261A148-V229 HydrophobicContact CB-CG2 3.77Å; A148-V229 WeakPolarHBondContact O-CG2 3.35Å; V151-V229 HydrophobicContact CB-CG2 4.23Å; V151-V229 HydrophobicContact CG1-CB 3.97Å; V151-V229 HydrophobicContact CG1-CG1 4Å; V151-V229 HydrophobicContact CG1-CG2 4.2Å; Y152-V229 HydrophobicContact CD2-CG1 4.17Å; V192-V229 HydrophobicContact CG2-CG1 4.05Å; V229-R231 PolarHBondContact O-N 3.04Å; V229-F232 PolarHBondContact O-N 3.43Å; V229-M233 PolarHBondContact O-N 2.9Å; V229-L255 HydrophobicContact CG1-CD2 3.62Å; V229-T261 HydrophobicContact CG2-CG2 4.11Å
230K96.6Very high96.2Very high103 Ų10352 Ų5245%0.44824%0.243SC..Hα-helixtrans-63-23.7177.9178.9168.9-178.1173.70113.5V192 N193 I196 A228 F232V192-K230 HydrophobicContact CG1-CB 4.05Å; V192-K230 HydrophobicContact CG1-CD 4.04Å; V192-K230 HydrophobicContact CG1-CG 3.9Å; V192-K230 HydrophobicContact CG2-CB 4.1Å; N193-K230 PolarHBondContact OD1-NZ 2.93Å; I196-K230 HydrophobicContact CD1-CB 3.78Å; I196-K230 HydrophobicContact CD1-CD 3.99Å; I196-K230 HydrophobicContact CD1-CG 4.5Å; A228-K230 PolarHBondContact O-N 3.35Å; K230-F232 VanDerWaalsContact C-N 3.3Å
231R96.2Very high95.9Very high159 Ų15951.5 Ų51.560%0.625%0.245SC*.Hα-helixtrans-69.9-25.7174.7-171.8-178.5178.285.37.2112.8T227 A228 V229T227-R231 PolarHBondContact O-N 2.67Å; A228-R231 VanDerWaalsContact O-CB 3.28Å; A228-R231 WeakPolarHBondContact O-CB 3.35Å; A228-R231 PolarHBondContact O-N 2.75Å; V229-R231 PolarHBondContact O-N 3.04Å
232F96.6Very high95.6Very high43 Ų4357.5 Ų57.519%0.18928%0.281CS..THydrogen-bonded Turntrans-109.617-178.5-58.6-68.6000113.7A228 V229 K230 N234 S256 K260 Y264A228-F232 WeakPolarHBondContact O-CD2 3.25Å; A228-F232 PolarHBondContact O-N 2.86Å; V229-F232 PolarHBondContact O-N 3.43Å; K230-F232 VanDerWaalsContact C-N 3.3Å; F232-N234 PolarHBondContact O-N 2.63Å; F232-S256 WeakPolarHBondContact O-CB 3.29Å; F232-S256 PolarHBondContact O-N 2.98Å; F232-S256 PolarHBondContact O-OG 3.45Å; F232-K260 HydrophobicContact CB-CB 4.42Å; F232-K260 HydrophobicContact CD1-CB 4.28Å; F232-K260 HydrophobicContact CG-CB 4.15Å; F232-Y264 VanDerWaalsContact CE2-CB 3.42Å; F232-Y264 HydrophobicContact CE2-CD1 4.1Å; F232-Y264 HydrophobicContact CE2-CD2 4.03Å; F232-Y264 AromaticContact CE2-CG 3.59Å; F232-Y264 HydrophobicContact CE2-CG 3.59Å; F232-Y264 AromaticContact CZ-CD2 3.71Å; F232-Y264 HydrophobicContact CZ-CD2 3.71Å; F232-Y264 AromaticContact CZ-CG 3.72Å; F232-Y264 HydrophobicContact CZ-CG 3.72Å
233M95.9Very high95.2Very high38 Ų3863.7 Ų63.719%0.18732%0.324CS..EExtended strand (participates in β ladder)trans-56.6126.5159.4-69.2-95.6-71.900108.9D190 V192 V229 M253 A254 L255D190-M233 HydrophobicContact CB-SD 4.23Å; D190-M233 WeakPolarHBondContact O-CE 3.4Å; V192-M233 HydrophobicContact CB-CE 4.24Å; V192-M233 HydrophobicContact CB-CG 4.4Å; V192-M233 HydrophobicContact CB-SD 3.7Å; V192-M233 HydrophobicContact CG1-CE 3.68Å; V192-M233 HydrophobicContact CG1-CG 4.01Å; V192-M233 HydrophobicContact CG1-SD 3.65Å; V192-M233 HydrophobicContact CG2-SD 4.37Å; V229-M233 PolarHBondContact O-N 2.9Å; M233-M253 HydrophobicContact CB-CE 3.89Å; M233-M253 HydrophobicContact CE-CB 3.7Å; M233-M253 HydrophobicContact CE-CE 4.36Å; M233-M253 HydrophobicContact CE-CG 4.35Å; M233-A254 CarbonylContact C-O 3.23Å; M233-A254 WeakPolarHBondContact CA-O 3.39Å; M233-L255 HydrophobicContact SD-CD2 4.41Å
234N95.2Very high94.6Very high74 Ų7460.5 Ų60.540%0.39633%0.33SS..EExtended strand (participates in β ladder)trans-105.9154176.1-172.341.5000109.9F232 M253 A254F232-N234 PolarHBondContact O-N 2.63Å; N234-M253 CarbonylContact O-C 3.53Å; N234-M253 WeakPolarHBondContact O-CA 3.23Å; N234-M253 VanDerWaalsContact O-CE 3.32Å; N234-M253 WeakPolarHBondContact O-CE 3.44Å; N234-A254 PolarHBondContact N-O 2.95Å; N234-A254 PolarHBondContact O-N 2.87Å
235M94.8Very high94.2Very high55 Ų5562.7 Ų62.727%0.27135%0.345SS..EExtended strand (participates in β ladder)trans-95.2120.6164.8-165.1168.582.500108.5D178 F183 W185 C251 W252 M253D178-M235 HydrophobicContact CB-CE 4.35Å; D178-M235 WeakPolarHBondContact OD2-CE 3.19Å; F183-M235 HydrophobicContact CD1-CE 4.32Å; F183-M235 HydrophobicContact CE1-CE 3.76Å; F183-M235 HydrophobicContact CE1-SD 4.19Å; F183-M235 HydrophobicContact CE2-CE 4.36Å; F183-M235 HydrophobicContact CE2-SD 3.98Å; F183-M235 HydrophobicContact CZ-CE 3.77Å; F183-M235 HydrophobicContact CZ-SD 3.57Å; F183-M235 VanDerWaalsContact CZ-SD 3.57Å; W185-M235 HydrophobicContact CH2-CG 4.5Å; W185-M235 HydrophobicContact CH2-SD 3.71Å; W185-M235 HydrophobicContact CZ2-SD 4.49Å; W185-M235 HydrophobicContact CZ3-CG 4.44Å; W185-M235 HydrophobicContact CZ3-SD 4.11Å; M235-C251 HydrophobicContact CE-CB 4.45Å; M235-C251 HydrophobicContact CG-CB 4.1Å; M235-C251 HydrophobicContact SD-CB 4.28Å; M235-W252 WeakPolarHBondContact CA-O 3.28Å; M235-M253 HydrophobicContact CB-CE 4.49Å; M235-M253 HydrophobicContact CB-SD 3.93Å; M235-M253 HydrophobicContact CG-SD 4.08Å
236E94.7Very high93.8Very high79 Ų7966.4 Ų66.437%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-106.6147.2176.3-66.2-174.7161.800109.2C251 W252 A254E236-C251 CarbonylContact O-C 3.39Å; E236-C251 WeakPolarHBondContact O-CA 3.39Å; E236-C251 VanDerWaalsContact O-CB 3.26Å; E236-C251 WeakPolarHBondContact O-CB 3.33Å; E236-W252 HydrophobicContact CB-CD2 4.36Å; E236-W252 HydrophobicContact CB-CZ2 3.74Å; E236-W252 PolarHBondContact N-O 2.81Å; E236-W252 PolarHBondContact O-N 3.29Å; E236-W252 PolarHBondContact OE2-NE1 2.9Å; E236-A254 HydrophobicContact CG-CB 3.93Å; E236-A254 WeakPolarHBondContact OE2-CB 3.24Å
237C94.3Very high93.3Very high50 Ų5071.8 Ų71.834%0.33841%0.405SS..EExtended strand (participates in β ladder)trans-139.8141.5-177.8-59.20000111T250 C251C237-T250 CarbonylContact C-O 3.5Å; C237-T250 VanDerWaalsContact CA-O 3.24Å; C237-T250 WeakPolarHBondContact CA-O 3.47Å; C237-C251 HydrophobicContact CB-CB 4.06Å; C237-C251 WeakPolarHBondContact CB-SG 3.17Å; C237-C251 WeakPolarHBondContact SG-CB 3.39Å; C237-C251 CovalentContact SG-SG 2.04Å; C237-C251 PolarHBondContact SG-SG 3.07Å
238K94.2Very high93Very high130 Ų13073.6 Ų73.657%0.56541%0.412SS*.EExtended strand (participates in β ladder)trans-102.3134.5162.4-86.8156.9-173.5168.50109.3H240 R249 T250 W252K238-H240 PolarHBondContact O-CD2 3.5Å; K238-R249 CarbonylContact O-C 3.57Å; K238-R249 WeakPolarHBondContact O-CA 3.43Å; K238-R249 VanDerWaalsContact O-CB 3.3Å; K238-R249 WeakPolarHBondContact O-CB 3.48Å; K238-T250 PolarHBondContact N-O 2.72Å; K238-T250 PolarHBondContact O-N 3.49Å; K238-W252 HydrophobicContact CB-CH2 4.32Å; K238-W252 HydrophobicContact CB-CZ3 4.3Å; K238-W252 HydrophobicContact CD-CH2 3.63Å; K238-W252 HydrophobicContact CD-CZ3 4Å; K238-W252 HydrophobicContact CG-CH2 3.8Å; K238-W252 HydrophobicContact CG-CZ3 4.24Å
239C93.8Very high92.9Very high48 Ų4874.1 Ų74.132%0.32441%0.414SS..EExtended strand (participates in β ladder)trans-91.7141.2174.5-60.40000110.1C246C239-C246 HydrophobicContact CB-CB 3.88Å; C239-C246 WeakPolarHBondContact CB-SG 3.4Å; C239-C246 VanDerWaalsContact SG-CA 3.56Å; C239-C246 WeakPolarHBondContact SG-CB 3.32Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.29Å
240H91.3Very high92.8Very high100 Ų10075.8 Ų75.846%0.46342%0.424SS..  trans-130.94.3-170.6-60-66.4000113.4K238 L248 T250K238-H240 PolarHBondContact O-CD2 3.5Å; H240-L248 HydrophobicContact CB-CD2 4.24Å; H240-L248 HydrophobicContact CB-CG 4.28Å; H240-L248 PolarHBondContact N-O 3.32Å; H240-T250 PolarHBondContact CD2-OG1 3.34Å; H240-T250 WeakPolarHBondContact NE2-CB 3.36Å; H240-T250 PolarHBondContact NE2-OG1 3.47Å
241G89.3Confident92.8Very high15 Ų1570.9 Ų70.916%0.15540%0.403CS..SBendtrans-73164.2175.900000112.8S243 G244 S245G241-S243 PolarHBondContact O-N 3.12Å; G241-G244 PolarHBondContact O-N 3.23Å; G241-S245 VanDerWaalsContact C-OG 3.26Å; G241-S245 WeakPolarHBondContact CA-O 3.36Å; G241-S245 WeakPolarHBondContact CA-OG 3.4Å; G241-S245 PolarHBondContact N-O 3.42Å; G241-S245 PolarHBondContact O-N 2.89Å
242V92.8Very high92.8Very high126 Ų12665.3 Ų65.376%0.76438%0.382SS*.G310 helixtrans-52.1137.6179.5-175.70000110.5G244 S245V242-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact O-N 3.15Å; V242-S245 PolarHBondContact N-OG 3.17Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 3.46Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.22Å
243S88.2Confident92.8Very high130 Ų13064.7 Ų64.791%0.90938%0.38SS*.G310 helixtrans53.828.5-176.6-54.60000115G241G241-S243 PolarHBondContact O-N 3.12Å
244G85.3Confident92.9Very high57 Ų5763.2 Ų63.259%0.58837%0.373SS*.G310 helixtrans82.710.8179.400000114.7G241 V242G241-G244 PolarHBondContact O-N 3.23Å; V242-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact O-N 3.15Å
245S89.6Confident93Very high46 Ų4660.8 Ų60.832%0.32236%0.36SS..  trans-64147177.855.40000112.7G241 V242 T247G241-S245 VanDerWaalsContact C-OG 3.26Å; G241-S245 WeakPolarHBondContact CA-O 3.36Å; G241-S245 WeakPolarHBondContact CA-OG 3.4Å; G241-S245 PolarHBondContact N-O 3.42Å; G241-S245 PolarHBondContact O-N 2.89Å; V242-S245 PolarHBondContact N-OG 3.17Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 3.46Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.22Å; S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.42Å
246C90.4Very high93.1Very high78 Ų7858.9 Ų58.953%0.52735%0.352SS..THydrogen-bonded Turntrans-92.522.7-177.3-65.30000114.2C239 L248C239-C246 HydrophobicContact CB-CB 3.88Å; C239-C246 WeakPolarHBondContact CB-SG 3.4Å; C239-C246 VanDerWaalsContact SG-CA 3.56Å; C239-C246 WeakPolarHBondContact SG-CB 3.32Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.29Å; C246-L248 VanDerWaalsContact C-N 3.35Å
247T88.3Confident93.2Very high122 Ų12259.9 Ų59.975%0.74836%0.36SS*.THydrogen-bonded Turntrans-66.2-36.3176.446.90000112.5S245S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.42Å
248L91Very high93.4Very high89 Ų8957.7 Ų57.747%0.46635%0.345SS..SBendtrans-113.6134.7162.8-178.564.4000108.5H240 C246H240-L248 HydrophobicContact CB-CD2 4.24Å; H240-L248 HydrophobicContact CB-CG 4.28Å; H240-L248 PolarHBondContact N-O 3.32Å; C246-L248 VanDerWaalsContact C-N 3.35Å
249R94.4Very high93.5Very high12 Ų1255.4 Ų55.45%0.04533%0.333CS..EExtended strand (participates in β ladder)trans-150.5144.5178.260.8-179172.5140.3-2.8111.8D178 G181 D182 F183 D184 K238D178-R249 VanDerWaalsContact CG-NH2 3.32Å; D178-R249 IonicContact OD1-CZ 3.54Å; D178-R249 IonicContact OD1-NH1 2.73Å; D178-R249 PolarHBondContact OD1-NH1 3.22Å; D178-R249 IonicContact OD1-NH2 2.8Å; D178-R249 PolarHBondContact OD1-NH2 3.46Å; D178-R249 IonicContact OD2-CZ 2.88Å; D178-R249 IonicContact OD2-NH1 2.68Å; D178-R249 PolarHBondContact OD2-NH1 3.33Å; D178-R249 IonicContact OD2-NH2 3.5Å; G181-R249 PolarHBondContact O-NH2 2.98Å; D182-R249 PolarHBondContact O-NE 2.82Å; D182-R249 PolarHBondContact O-NH2 3.23Å; D182-R249 VanDerWaalsContact O-NH2 3.08Å; F183-R249 HydrophobicContact CB-CG 3.69Å; D184-R249 PolarHBondContact N-O 3.2Å; D184-R249 VanDerWaalsContact N-O 3.14Å; K238-R249 CarbonylContact O-C 3.57Å; K238-R249 WeakPolarHBondContact O-CA 3.43Å; K238-R249 VanDerWaalsContact O-CB 3.3Å; K238-R249 WeakPolarHBondContact O-CB 3.48Å
250T95.3Very high93.8Very high38 Ų3857.6 Ų57.623%0.23334%0.337CS..EExtended strand (participates in β ladder)trans-107.4130.6173.8-50.30000108.5D184 G186 C237 K238 H240D184-T250 CarbonylContact O-C 3.59Å; D184-T250 WeakPolarHBondContact O-CA 3.39Å; G186-T250 VanDerWaalsContact CA-CG2 3.45Å; C237-T250 CarbonylContact C-O 3.5Å; C237-T250 VanDerWaalsContact CA-O 3.24Å; C237-T250 WeakPolarHBondContact CA-O 3.47Å; K238-T250 PolarHBondContact N-O 2.72Å; K238-T250 PolarHBondContact O-N 3.49Å; H240-T250 PolarHBondContact CD2-OG1 3.34Å; H240-T250 WeakPolarHBondContact NE2-CB 3.36Å; H240-T250 PolarHBondContact NE2-OG1 3.47Å
251C96.9Very high94.1Very high0 Ų052.9 Ų52.90%032%0.315CS..EExtended strand (participates in β ladder)trans-125.5153.6-178.6-51.70000113.4F183 D184 W185 G186 M235 E236 C237F183-C251 HydrophobicContact CD2-CB 3.55Å; F183-C251 HydrophobicContact CE2-CB 3.84Å; F183-C251 HydrophobicContact CG-CB 4.24Å; D184-C251 PolarHBondContact O-N 2.89Å; W185-C251 WeakPolarHBondContact CA-O 3.12Å; G186-C251 PolarHBondContact N-O 2.89Å; G186-C251 VanDerWaalsContact N-O 3.09Å; M235-C251 HydrophobicContact CE-CB 4.45Å; M235-C251 HydrophobicContact CG-CB 4.1Å; M235-C251 HydrophobicContact SD-CB 4.28Å; E236-C251 CarbonylContact O-C 3.39Å; E236-C251 WeakPolarHBondContact O-CA 3.39Å; E236-C251 VanDerWaalsContact O-CB 3.26Å; E236-C251 WeakPolarHBondContact O-CB 3.33Å; C237-C251 HydrophobicContact CB-CB 4.06Å; C237-C251 WeakPolarHBondContact CB-SG 3.17Å; C237-C251 WeakPolarHBondContact SG-CB 3.39Å; C237-C251 CovalentContact SG-SG 2.04Å; C237-C251 PolarHBondContact SG-SG 3.07Å
252W96.9Very high94.5Very high41 Ų4152.2 Ų52.216%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-138.4159.3172.75695.5000110.5S189 M235 E236 K238S189-W252 WeakPolarHBondContact OG-CA 3.43Å; M235-W252 WeakPolarHBondContact CA-O 3.28Å; E236-W252 HydrophobicContact CB-CD2 4.36Å; E236-W252 HydrophobicContact CB-CZ2 3.74Å; E236-W252 PolarHBondContact N-O 2.81Å; E236-W252 PolarHBondContact O-N 3.29Å; E236-W252 PolarHBondContact OE2-NE1 2.9Å; K238-W252 HydrophobicContact CB-CH2 4.32Å; K238-W252 HydrophobicContact CB-CZ3 4.3Å; K238-W252 HydrophobicContact CD-CH2 3.63Å; K238-W252 HydrophobicContact CD-CZ3 4Å; K238-W252 HydrophobicContact CG-CH2 3.8Å; K238-W252 HydrophobicContact CG-CZ3 4.24Å
253M96.9Very high94.8Very high31 Ų3148.8 Ų48.815%0.15329%0.285CS..EExtended strand (participates in β ladder)trans-84.3128.4166-64.9-55.4-52.500109.5W185 S189 D190 M233 N234 M235W185-M253 HydrophobicContact CH2-CG 4.07Å; W185-M253 HydrophobicContact CH2-SD 3.96Å; W185-M253 HydrophobicContact CZ3-CG 3.9Å; W185-M253 HydrophobicContact CZ3-SD 4.16Å; S189-M253 CarbonylContact C-O 3.51Å; S189-M253 WeakPolarHBondContact CA-O 3.46Å; S189-M253 PolarHBondContact OG-N 2.94Å; D190-M253 PolarHBondContact N-O 2.95Å; M233-M253 HydrophobicContact CB-CE 3.89Å; M233-M253 HydrophobicContact CE-CB 3.7Å; M233-M253 HydrophobicContact CE-CE 4.36Å; M233-M253 HydrophobicContact CE-CG 4.35Å; N234-M253 CarbonylContact O-C 3.53Å; N234-M253 WeakPolarHBondContact O-CA 3.23Å; N234-M253 VanDerWaalsContact O-CE 3.32Å; N234-M253 WeakPolarHBondContact O-CE 3.44Å; M235-M253 HydrophobicContact CB-CE 4.49Å; M235-M253 HydrophobicContact CB-SD 3.93Å; M235-M253 HydrophobicContact CG-SD 4.08Å
254A97.1Very high95.3Very high6 Ų643.8 Ų43.85%0.0525%0.247CC..EExtended strand (participates in β ladder)trans-122.1151.3177.800000111.9D190 M233 N234 E236 S256D190-A254 VanDerWaalsContact OD2-CA 3.32Å; D190-A254 WeakPolarHBondContact OD2-CA 3.48Å; M233-A254 CarbonylContact C-O 3.23Å; M233-A254 WeakPolarHBondContact CA-O 3.39Å; N234-A254 PolarHBondContact N-O 2.95Å; N234-A254 PolarHBondContact O-N 2.87Å; E236-A254 HydrophobicContact CG-CB 3.93Å; E236-A254 WeakPolarHBondContact OE2-CB 3.24Å; A254-S256 PolarHBondContact O-N 2.76Å
255L97.2Very high95.9Very high24 Ų2441.1 Ų41.113%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-64.4125.7163.2-68.9170.3000110.2Y152 T155 R156 D190 V229 M233Y152-L255 HydrophobicContact CD2-CB 4.36Å; Y152-L255 HydrophobicContact CD2-CD1 3.89Å; Y152-L255 HydrophobicContact CD2-CD2 4Å; Y152-L255 HydrophobicContact CD2-CG 4.32Å; Y152-L255 HydrophobicContact CE2-CB 3.87Å; Y152-L255 HydrophobicContact CE2-CD1 3.97Å; Y152-L255 HydrophobicContact CE2-CD2 4.36Å; Y152-L255 HydrophobicContact CE2-CG 4.3Å; Y152-L255 HydrophobicContact CG-CD1 4.4Å; T155-L255 HydrophobicContact CG2-CD1 3.93Å; T155-L255 HydrophobicContact CG2-CD2 4.01Å; T155-L255 HydrophobicContact CG2-CG 4.04Å; R156-L255 HydrophobicContact CB-CD1 4Å; D190-L255 HydrophobicContact CB-CG 4.21Å; D190-L255 WeakPolarHBondContact OD2-CG 3.49Å; D190-L255 PolarHBondContact OD2-N 2.91Å; V229-L255 HydrophobicContact CG1-CD2 3.62Å; M233-L255 HydrophobicContact SD-CD2 4.41Å
256S96.9Very high96.3Very high14 Ų1440 Ų4010%0.09821%0.207CC..  trans-69151.4160.2-71.20000111.1Y152 F232 A254 F258 K260Y152-S256 WeakPolarHBondContact CE2-O 3.45Å; F232-S256 WeakPolarHBondContact O-CB 3.29Å; F232-S256 PolarHBondContact O-N 2.98Å; F232-S256 PolarHBondContact O-OG 3.45Å; A254-S256 PolarHBondContact O-N 2.76Å; S256-F258 PolarHBondContact O-N 2.85Å; S256-K260 PolarHBondContact OG-NZ 3.23Å
257D96.9Very high96.7Very high100 Ų10043.2 Ų43.254%0.53521%0.209SC..  trans-31.8126.2163.8-173.7-33.3000112.9R259 K260D257-R259 PolarHBondContact O-N 2.72Å; D257-R259 VanDerWaalsContact O-N 3.07Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 PolarHBondContact OD1-N 2.89Å; D257-K260 PolarHBondContact O-N 3.2Å
258F97.8Very high97.1Very high5 Ų539.4 Ų39.42%0.02218%0.182CC..Hα-helixtrans-55.5-25.5-178-164.2-109.8000113.5W103 E106 I145 A148 Y152 S256 K260 T261 G262W103-F258 HydrophobicContact CB-CE1 3.68Å; W103-F258 HydrophobicContact CB-CZ 3.85Å; E106-F258 HydrophobicContact CB-CD1 3.77Å; E106-F258 HydrophobicContact CB-CE1 3.81Å; E106-F258 HydrophobicContact CG-CD1 3.77Å; E106-F258 HydrophobicContact CG-CE1 3.89Å; I145-F258 HydrophobicContact CD1-CE1 3.61Å; I145-F258 HydrophobicContact CD1-CZ 3.68Å; I145-F258 HydrophobicContact CG1-CE1 4.15Å; I145-F258 HydrophobicContact CG1-CZ 4.27Å; A148-F258 HydrophobicContact CB-CE2 4.09Å; A148-F258 HydrophobicContact CB-CZ 4.11Å; Y152-F258 HydrophobicContact CD1-CB 4.35Å; Y152-F258 AromaticContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CG 4.37Å; Y152-F258 HydrophobicContact CD2-CB 4.41Å; Y152-F258 AromaticContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CE2 4.5Å; Y152-F258 HydrophobicContact CE1-CB 3.99Å; Y152-F258 HydrophobicContact CE1-CD2 4.4Å; Y152-F258 HydrophobicContact CE1-CG 4.49Å; Y152-F258 HydrophobicContact CE2-CB 4.05Å; Y152-F258 HydrophobicContact CE2-CD2 4.16Å; Y152-F258 AromaticContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CE2 4.13Å; Y152-F258 HydrophobicContact CG-CG 4.36Å; Y152-F258 PolarHBondContact OH-N 3.28Å; S256-F258 PolarHBondContact O-N 2.85Å; F258-K260 VanDerWaalsContact C-N 3.25Å; F258-K260 PolarHBondContact O-N 3.06Å; F258-T261 HydrophobicContact CE2-CG2 4.17Å; F258-T261 CarbonylContact O-C 3.6Å; F258-T261 WeakPolarHBondContact O-CA 3.39Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 2.88Å; F258-G262 PolarHBondContact O-N 3.33Å
259R98.1Very high97.5Very high81 Ų8136.3 Ų36.331%0.30616%0.164SC..Hα-helixtrans-50.6-42.1170.6179.154.246.459.212.7112.4E106 H109 D257 T261 G262 D263E106-R259 VanDerWaalsContact CD-NE 3.27Å; E106-R259 WeakPolarHBondContact OE1-CD 3.32Å; E106-R259 IonicContact OE1-CZ 3.61Å; E106-R259 IonicContact OE1-NE 2.85Å; E106-R259 PolarHBondContact OE1-NE 2.76Å; E106-R259 IonicContact OE2-CZ 2.91Å; E106-R259 IonicContact OE2-NE 2.79Å; E106-R259 PolarHBondContact OE2-NE 3.03Å; E106-R259 IonicContact OE2-NH2 2.85Å; E106-R259 PolarHBondContact OE2-NH2 3.36Å; H109-R259 VanDerWaalsContact CD2-CZ 3.4Å; H109-R259 PolarHBondContact CD2-NE 2.81Å; H109-R259 PolarHBondContact NE2-NH1 2.75Å; D257-R259 PolarHBondContact O-N 2.72Å; D257-R259 VanDerWaalsContact O-N 3.07Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 PolarHBondContact OD1-N 2.89Å; R259-T261 PolarHBondContact O-N 3.36Å; R259-G262 PolarHBondContact O-N 2.8Å; R259-G262 VanDerWaalsContact O-N 3.13Å; R259-D263 WeakPolarHBondContact CD-OD1 3.18Å; R259-D263 WeakPolarHBondContact O-CB 3.44Å; R259-D263 PolarHBondContact O-N 3.14Å
260K98.2Very high97.5Very high95 Ų9540.9 Ų40.941%0.41319%0.19SC..Hα-helixtrans-61.3-34.5177.9-58.1-169.9-158.5166.10112F232 S256 D257 F258 Y264F232-K260 HydrophobicContact CB-CB 4.42Å; F232-K260 HydrophobicContact CD1-CB 4.28Å; F232-K260 HydrophobicContact CG-CB 4.15Å; S256-K260 PolarHBondContact OG-NZ 3.23Å; D257-K260 PolarHBondContact O-N 3.2Å; F258-K260 VanDerWaalsContact C-N 3.25Å; F258-K260 PolarHBondContact O-N 3.06Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.97Å
261T98.3Very high97.5Very high1 Ų140.8 Ų40.81%0.00620%0.196CC..Hα-helixtrans-73.7-43.4175-62.70000111.1A148 A228 V229 F258 R259 Y264 L265A148-T261 HydrophobicContact CB-CG2 3.97Å; A228-T261 HydrophobicContact CB-CG2 3.91Å; V229-T261 HydrophobicContact CG2-CG2 4.11Å; F258-T261 HydrophobicContact CE2-CG2 4.17Å; F258-T261 CarbonylContact O-C 3.6Å; F258-T261 WeakPolarHBondContact O-CA 3.39Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 2.88Å; R259-T261 PolarHBondContact O-N 3.36Å; T261-Y264 PolarHBondContact O-N 3.21Å; T261-L265 HydrophobicContact CG2-CD1 4.08Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 3.48Å
262G98.3Very high97.5Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-56.8-52.4173.200000112.6F258 R259 Y264 L265 R266F258-G262 PolarHBondContact O-N 3.33Å; R259-G262 PolarHBondContact O-N 2.8Å; R259-G262 VanDerWaalsContact O-N 3.13Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 2.92Å; G262-L265 PolarHBondContact O-N 3.27Å; G262-R266 VanDerWaalsContact O-CB 3.29Å; G262-R266 WeakPolarHBondContact O-CB 3.39Å; G262-R266 PolarHBondContact O-N 3.04Å
263D98.6Very high97.5Very high54 Ų5440.4 Ų40.429%0.28920%0.2SC..Hα-helixtrans-59.4-38.5178.1-66.9-30.3000112.4Q110 R259 R266 R267Q110-D263 PolarHBondContact NE2-OD1 3.37Å; R259-D263 WeakPolarHBondContact CD-OD1 3.18Å; R259-D263 WeakPolarHBondContact O-CB 3.44Å; R259-D263 PolarHBondContact O-N 3.14Å; D263-R266 PolarHBondContact O-N 3.08Å; D263-R267 WeakPolarHBondContact O-CG 3.17Å; D263-R267 PolarHBondContact O-N 3.03Å; D263-R267 PolarHBondContact O-NH1 2.99Å
264Y98.6Very high97.4Very high26 Ų2641.9 Ų41.910%0.10221%0.206CC..Hα-helixtrans-67.4-48.3176.1175-96.5000111.9A228 F232 K260 T261 G262 R266 R267 K268A228-Y264 HydrophobicContact CB-CD1 3.72Å; A228-Y264 HydrophobicContact CB-CE1 3.94Å; F232-Y264 VanDerWaalsContact CE2-CB 3.42Å; F232-Y264 HydrophobicContact CE2-CD1 4.1Å; F232-Y264 HydrophobicContact CE2-CD2 4.03Å; F232-Y264 AromaticContact CE2-CG 3.59Å; F232-Y264 HydrophobicContact CE2-CG 3.59Å; F232-Y264 AromaticContact CZ-CD2 3.71Å; F232-Y264 HydrophobicContact CZ-CD2 3.71Å; F232-Y264 AromaticContact CZ-CG 3.72Å; F232-Y264 HydrophobicContact CZ-CG 3.72Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.97Å; T261-Y264 PolarHBondContact O-N 3.21Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 2.92Å; Y264-R266 PolarHBondContact O-N 3.34Å; Y264-R267 PolarHBondContact O-N 2.99Å; Y264-K268 HydrophobicContact CD1-CG 4.42Å; Y264-K268 HydrophobicContact CE1-CG 3.99Å; Y264-K268 WeakPolarHBondContact O-CG 3.49Å; Y264-K268 PolarHBondContact O-N 3.44Å; Y264-K268 WeakPolarHBondContact OH-CE 3.32Å
265L98.6Very high97.3Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-65-30.7176.6-68.5176.6000111.3F141 A144 I145 A148 A228 T261 G262 K268 Y269F141-L265 HydrophobicContact CD2-CB 4.1Å; F141-L265 HydrophobicContact CE2-CB 3.63Å; A144-L265 HydrophobicContact CB-CD1 4.14Å; A144-L265 HydrophobicContact CB-CD2 4.02Å; I145-L265 HydrophobicContact CB-CD1 4.3Å; I145-L265 HydrophobicContact CD1-CD1 3.85Å; A148-L265 HydrophobicContact CB-CD1 4.12Å; A228-L265 HydrophobicContact CB-CD1 4.48Å; A228-L265 HydrophobicContact CB-CD2 3.98Å; A228-L265 HydrophobicContact CB-CG 4.16Å; T261-L265 HydrophobicContact CG2-CD1 4.08Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 3.48Å; G262-L265 PolarHBondContact O-N 3.27Å; L265-K268 CarbonylContact O-C 3.59Å; L265-K268 PolarHBondContact O-N 2.95Å; L265-Y269 PolarHBondContact O-N 3.16Å
266R98Very high97.1Very high22 Ų2244.7 Ų44.78%0.08322%0.22CC..Hα-helixtrans-65-43.3173.7-176.768.4-126-133.2-10.6112Q110 H114 G262 D263 Y264 K268 Y269 N270Q110-R266 HydrophobicContact CG-CB 4.45Å; Q110-R266 WeakPolarHBondContact O-CD 3.28Å; Q110-R266 PolarHBondContact O-NH1 3.2Å; H114-R266 PolarHBondContact CD2-NH1 2.98Å; H114-R266 PolarHBondContact CE1-NH2 2.85Å; H114-R266 PolarHBondContact NE2-NH1 2.92Å; H114-R266 VanDerWaalsContact NE2-NH1 3.14Å; H114-R266 PolarHBondContact NE2-NH2 3.24Å; G262-R266 VanDerWaalsContact O-CB 3.29Å; G262-R266 WeakPolarHBondContact O-CB 3.39Å; G262-R266 PolarHBondContact O-N 3.04Å; D263-R266 PolarHBondContact O-N 3.08Å; Y264-R266 PolarHBondContact O-N 3.34Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.45Å; R266-Y269 PolarHBondContact O-N 3.48Å; R266-N270 PolarHBondContact NE-OD1 2.8Å; R266-N270 PolarHBondContact NH2-OD1 2.6Å; R266-N270 PolarHBondContact O-N 2.98Å; R266-N270 PolarHBondContact O-OD1 3.35Å
267R98Very high96.8Very high147 Ų14747 Ų4756%0.55523%0.23SC*.Hα-helixtrans-63.1-36.5170.6-71.1-174.8-65.8-84.14.7111.7D263 Y264 N270 G271D263-R267 WeakPolarHBondContact O-CG 3.17Å; D263-R267 PolarHBondContact O-N 3.03Å; D263-R267 PolarHBondContact O-NH1 2.99Å; Y264-R267 PolarHBondContact O-N 2.99Å; R267-N270 PolarHBondContact O-N 3.13Å; R267-G271 PolarHBondContact O-N 2.98Å
268K98.1Very high96.3Very high42 Ų4244.4 Ų44.418%0.18322%0.216CC..Hα-helixtrans-73.9-24.8175.4-68.6-58-166.4166.30114.6Y264 L265 R266 G271 A272 N297 D298 L299Y264-K268 HydrophobicContact CD1-CG 4.42Å; Y264-K268 HydrophobicContact CE1-CG 3.99Å; Y264-K268 WeakPolarHBondContact O-CG 3.49Å; Y264-K268 PolarHBondContact O-N 3.44Å; Y264-K268 WeakPolarHBondContact OH-CE 3.32Å; L265-K268 CarbonylContact O-C 3.59Å; L265-K268 PolarHBondContact O-N 2.95Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.45Å; K268-G271 CarbonylContact O-C 3.54Å; K268-A272 WeakPolarHBondContact O-CA 3.35Å; K268-A272 PolarHBondContact O-N 2.91Å; K268-A272 VanDerWaalsContact O-N 3.09Å; K268-N297 VanDerWaalsContact CD-O 3.3Å; K268-N297 WeakPolarHBondContact CD-O 3.36Å; K268-N297 WeakPolarHBondContact CE-O 3.35Å; K268-N297 PolarHBondContact NZ-O 2.88Å; K268-D298 IonicContact NZ-OD1 3.93Å; K268-D298 PolarHBondContact NZ-OD1 2.81Å; K268-L299 HydrophobicContact CB-CD1 4.37Å; K268-L299 HydrophobicContact CB-CG 4.1Å
269Y97.8Very high95.7Very high23 Ų2354.3 Ų54.39%0.0926%0.262CS..Hα-helixtrans-70.6-46.7167.8165-86.8000111.4F111 R137 E138 F141 L265 R266 G271 A272F111-Y269 HydrophobicContact CE1-CD1 4.27Å; F111-Y269 HydrophobicContact CE1-CD2 4.48Å; F111-Y269 AromaticContact CE1-CE1 3.77Å; F111-Y269 HydrophobicContact CE1-CE1 3.77Å; F111-Y269 AromaticContact CE1-CE2 3.95Å; F111-Y269 HydrophobicContact CE1-CE2 3.95Å; F111-Y269 AromaticContact CE1-CZ 3.59Å; F111-Y269 AromaticContact CZ-CD1 3.83Å; F111-Y269 HydrophobicContact CZ-CD1 3.83Å; F111-Y269 AromaticContact CZ-CD2 3.85Å; F111-Y269 HydrophobicContact CZ-CD2 3.85Å; F111-Y269 AromaticContact CZ-CE1 3.8Å; F111-Y269 HydrophobicContact CZ-CE1 3.8Å; F111-Y269 AromaticContact CZ-CE2 3.76Å; F111-Y269 HydrophobicContact CZ-CE2 3.76Å; F111-Y269 AromaticContact CZ-CG 3.87Å; F111-Y269 HydrophobicContact CZ-CG 3.87Å; F111-Y269 AromaticContact CZ-CZ 3.76Å; R137-Y269 VanDerWaalsContact C-CE2 3.49Å; R137-Y269 HydrophobicContact CB-CD2 3.94Å; R137-Y269 HydrophobicContact CB-CE2 3.5Å; R137-Y269 VanDerWaalsContact O-CD2 3.27Å; R137-Y269 WeakPolarHBondContact O-CD2 3.33Å; R137-Y269 WeakPolarHBondContact O-CE2 3.48Å; E138-Y269 HydrophobicContact CG-CE2 4.25Å; E138-Y269 PolarHBondContact OE1-OH 3.24Å; F141-Y269 HydrophobicContact CB-CD2 3.85Å; F141-Y269 HydrophobicContact CB-CG 4.45Å; L265-Y269 PolarHBondContact O-N 3.16Å; R266-Y269 PolarHBondContact O-N 3.48Å; Y269-G271 PolarHBondContact O-N 2.77Å; Y269-A272 VanDerWaalsContact O-CB 3.28Å; Y269-A272 WeakPolarHBondContact O-CB 3.07Å; Y269-A272 PolarHBondContact O-N 2.85Å; Y269-A272 VanDerWaalsContact O-N 3.14Å
270N95.9Very high95Very high109 Ų10955.2 Ų55.258%0.58327%0.273SS*.Hα-helixtrans-60.1-33.1178.5-69-0.1000112.1R266 R267R266-N270 PolarHBondContact NE-OD1 2.8Å; R266-N270 PolarHBondContact NH2-OD1 2.6Å; R266-N270 PolarHBondContact O-N 2.98Å; R266-N270 PolarHBondContact O-OD1 3.35Å; R267-N270 PolarHBondContact O-N 3.13Å
271G95.3Very high94.2Very high35 Ų3551.5 Ų51.536%0.36126%0.262SS..THydrogen-bonded Turntrans-107.127.6176.200000114.8R267 K268 Y269 R292R267-G271 PolarHBondContact O-N 2.98Å; K268-G271 CarbonylContact O-C 3.54Å; Y269-G271 PolarHBondContact O-N 2.77Å; G271-R292 PolarHBondContact O-NH2 2.92Å
272A96.8Very high93.5Very high19 Ų1956.3 Ų56.316%0.15729%0.291CS..  trans-66.8149.7177.600000111.7R137 K268 Y269 L299 Y301R137-A272 HydrophobicContact CG-CB 4.25Å; K268-A272 WeakPolarHBondContact O-CA 3.35Å; K268-A272 PolarHBondContact O-N 2.91Å; K268-A272 VanDerWaalsContact O-N 3.09Å; Y269-A272 VanDerWaalsContact O-CB 3.28Å; Y269-A272 WeakPolarHBondContact O-CB 3.07Å; Y269-A272 PolarHBondContact O-N 2.85Å; Y269-A272 VanDerWaalsContact O-N 3.14Å; A272-L299 CarbonylContact C-O 3.47Å; A272-L299 VanDerWaalsContact CA-O 3.32Å; A272-L299 WeakPolarHBondContact CA-O 3.36Å; A272-L299 HydrophobicContact CB-CB 4.05Å; A272-Y301 HydrophobicContact CB-CD1 4.16Å; A272-Y301 HydrophobicContact CB-CE1 4.38Å
273V95.9Very high93Very high14 Ų1456.9 Ų56.99%0.08530%0.298CS..EExtended strand (participates in β ladder)trans-109.5128.6-171.4-175.80000111V275 V286 A294 L299 V300 Y301V273-V275 HydrophobicContact CG1-CG1 4.28Å; V273-V286 HydrophobicContact CG1-CG1 3.8Å; V273-A294 HydrophobicContact CB-CB 4.01Å; V273-A294 HydrophobicContact CG1-CB 4.14Å; V273-A294 HydrophobicContact CG2-CB 4.13Å; V273-L299 PolarHBondContact N-O 3.44Å; V273-V300 VanDerWaalsContact O-CA 3.31Å; V273-V300 WeakPolarHBondContact O-CA 3.47Å; V273-Y301 WeakPolarHBondContact O-CD1 3.32Å; V273-Y301 PolarHBondContact O-N 2.97Å; V273-Y301 VanDerWaalsContact O-N 3.11Å
274E95.9Very high92.6Very high62 Ų6256.8 Ų56.829%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-73.6128.1171.8-162.9169.4-151.700110.1A287 Y301 N304E274-A287 HydrophobicContact CB-CB 4.14Å; E274-A287 HydrophobicContact CG-CB 3.86Å; E274-A287 PolarHBondContact O-N 3.47Å; E274-Y301 WeakPolarHBondContact CA-O 3.35Å; E274-Y301 HydrophobicContact CB-CE1 3.96Å; E274-Y301 HydrophobicContact CB-CE2 3.92Å; E274-Y301 HydrophobicContact CG-CD2 4.29Å; E274-Y301 HydrophobicContact CG-CE2 3.71Å; E274-N304 PolarHBondContact OE1-ND2 3.04Å
275V95Very high92.2Very high2 Ų258.9 Ų58.91%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-128.4156.4-175.2-62.60000111.9V273 F284 T285 V300 Y301 F302V273-V275 HydrophobicContact CG1-CG1 4.28Å; V275-F284 HydrophobicContact CB-CB 4.09Å; V275-F284 HydrophobicContact CB-CD2 4.09Å; V275-F284 HydrophobicContact CB-CG 4.31Å; V275-F284 HydrophobicContact CG1-CD2 3.88Å; V275-F284 HydrophobicContact CG1-CE2 4.46Å; V275-F284 HydrophobicContact CG2-CB 4.12Å; V275-F284 HydrophobicContact CG2-CD2 4.19Å; V275-F284 HydrophobicContact CG2-CG 4.13Å; V275-T285 CarbonylContact C-O 3.56Å; V275-T285 WeakPolarHBondContact CA-O 3.5Å; V275-T285 VanDerWaalsContact CB-O 3.25Å; V275-T285 WeakPolarHBondContact CB-O 3.37Å; V275-V300 HydrophobicContact CG1-CB 4.04Å; V275-V300 HydrophobicContact CG1-CG1 4.06Å; V275-V300 HydrophobicContact CG2-CB 3.94Å; V275-V300 HydrophobicContact CG2-CG2 4.28Å; V275-Y301 WeakPolarHBondContact CG2-O 3.47Å; V275-Y301 PolarHBondContact N-O 2.83Å; V275-F302 HydrophobicContact CG2-CD1 4.11Å; V275-F302 HydrophobicContact CG2-CD2 4.42Å; V275-F302 HydrophobicContact CG2-CE1 3.88Å; V275-F302 HydrophobicContact CG2-CE2 4.22Å; V275-F302 HydrophobicContact CG2-CG 4.36Å; V275-F302 HydrophobicContact CG2-CZ 3.95Å; V275-F302 WeakPolarHBondContact O-CD1 3.42Å
276I92.8Very high91.9Very high87 Ų8759.8 Ų59.845%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-122.5155.5172.955.9173.6000109.7F284 T285 A287I276-F284 CarbonylContact O-C 3.56Å; I276-F284 WeakPolarHBondContact O-CA 3.05Å; I276-F284 VanDerWaalsContact O-CB 3.3Å; I276-F284 WeakPolarHBondContact O-CB 3.38Å; I276-T285 PolarHBondContact N-O 2.92Å; I276-T285 PolarHBondContact O-N 2.8Å; I276-A287 HydrophobicContact CG2-CB 3.91Å
277M89.6Confident91.5Very high64 Ų6460.6 Ų60.632%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-72.2140179.3-83.4-59.7-67.900111.2G213 L216 F302G213-M277 WeakPolarHBondContact CA-SD 3.36Å; L216-M277 HydrophobicContact CD1-CE 3.57Å; L216-M277 HydrophobicContact CD1-SD 3.94Å; M277-F302 HydrophobicContact CG-CE1 3.78Å; M277-F302 HydrophobicContact CG-CZ 3.98Å; M277-F302 HydrophobicContact SD-CE1 4.15Å; M277-F302 HydrophobicContact SD-CZ 3.79Å
278N87.8Confident91.1Very high45 Ų4557.4 Ų57.424%0.24132%0.321CS..  trans-71.8152.8172.2-65.9-9.9000110.6D280 G281 G283 F284 T285N278-D280 WeakPolarHBondContact CB-OD1 3.45Å; N278-D280 PolarHBondContact O-N 2.04Å; N278-G281 PolarHBondContact O-N 3.08Å; N278-G283 WeakPolarHBondContact CB-O 3.03Å; N278-G283 PolarHBondContact N-O 2.75Å; N278-F284 PolarHBondContact ND2-N 2.92Å; N278-F284 WeakPolarHBondContact OD1-CA 3.46Å; N278-T285 WeakPolarHBondContact OD1-CB 3.4Å; N278-T285 VanDerWaalsContact OD1-CG2 3.26Å; N278-T285 WeakPolarHBondContact OD1-CG2 3.25Å; N278-T285 PolarHBondContact OD1-N 2.96Å; N278-T285 VanDerWaalsContact OD1-N 3.09Å; N278-T285 PolarHBondContact OD1-OG1 2.73Å
279Q84.2Confident90.5Very high213 Ų21364.8 Ų64.8100%0.99535%0.353SS*.THydrogen-bonded Turntrans-60.9-26.7-179.6-67.4175.5-22.100113.6G281Q279-G281 VanDerWaalsContact C-N 3.33Å
280D83.9Confident90Very high100 Ų10067.9 Ų67.954%0.53538%0.383SS..THydrogen-bonded Turntrans-79.3-13.3176.769.4-12.5000113.6N278 T282N278-D280 WeakPolarHBondContact CB-OD1 3.45Å; N278-D280 PolarHBondContact O-N 2.04Å; D280-T282 HydrophobicContact CB-CG2 4.14Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.91Å; D280-T282 PolarHBondContact OD1-N 2.99Å; D280-T282 PolarHBondContact OD1-OG1 3.45Å; D280-T282 WeakPolarHBondContact OD2-CB 3.46Å; D280-T282 VanDerWaalsContact OD2-CG2 3.27Å; D280-T282 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T282 PolarHBondContact OD2-OG1 2.81Å
281G80.9Confident89.5Confident17 Ų1769.3 Ų69.318%0.17538%0.384CS..SBendtrans69.29.2-175.500000115.5N278 Q279N278-G281 PolarHBondContact O-N 3.08Å; Q279-G281 VanDerWaalsContact C-N 3.33Å
282T83.3Confident89.2Confident101 Ų10174 Ų7462%0.6239%0.391SS*.SBendtrans-89.6-18.4-176.176.40000113.6D280D280-T282 HydrophobicContact CB-CG2 4.14Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.91Å; D280-T282 PolarHBondContact OD1-N 2.99Å; D280-T282 PolarHBondContact OD1-OG1 3.45Å; D280-T282 WeakPolarHBondContact OD2-CB 3.46Å; D280-T282 VanDerWaalsContact OD2-CG2 3.27Å; D280-T282 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T282 PolarHBondContact OD2-OG1 2.81Å
283G87.6Confident88.9Confident13 Ų1381.6 Ų81.613%0.13442%0.421CS..  trans-169.5-161-175.800000112.5N278N278-G283 WeakPolarHBondContact CB-O 3.03Å; N278-G283 PolarHBondContact N-O 2.75Å
284F90.6Very high88.7Confident51 Ų5182.3 Ų82.322%0.22443%0.428CS..EExtended strand (participates in β ladder)trans-135.6156.6-172.250.8-104.5000112.6L216 H220 V275 I276 N278 V300 F302L216-F284 HydrophobicContact CB-CD1 4.49Å; H220-F284 HydrophobicContact CB-CE1 4.18Å; H220-F284 HydrophobicContact CB-CZ 4.08Å; H220-F284 AromaticContact CG-CZ 3.8Å; H220-F284 AromaticContact ND1-CZ 3.75Å; V275-F284 HydrophobicContact CB-CB 4.09Å; V275-F284 HydrophobicContact CB-CD2 4.09Å; V275-F284 HydrophobicContact CB-CG 4.31Å; V275-F284 HydrophobicContact CG1-CD2 3.88Å; V275-F284 HydrophobicContact CG1-CE2 4.46Å; V275-F284 HydrophobicContact CG2-CB 4.12Å; V275-F284 HydrophobicContact CG2-CD2 4.19Å; V275-F284 HydrophobicContact CG2-CG 4.13Å; I276-F284 CarbonylContact O-C 3.56Å; I276-F284 WeakPolarHBondContact O-CA 3.05Å; I276-F284 VanDerWaalsContact O-CB 3.3Å; I276-F284 WeakPolarHBondContact O-CB 3.38Å; N278-F284 PolarHBondContact ND2-N 2.92Å; N278-F284 WeakPolarHBondContact OD1-CA 3.46Å; F284-V300 HydrophobicContact CE1-CG2 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.03Å; F284-V300 HydrophobicContact CE2-CG2 4.3Å; F284-V300 HydrophobicContact CZ-CG1 4.38Å; F284-V300 HydrophobicContact CZ-CG2 4Å; F284-F302 HydrophobicContact CB-CE1 4.46Å; F284-F302 HydrophobicContact CB-CZ 4.2Å
285T90.8Very high88.6Confident71 Ų7182.5 Ų82.544%0.43643%0.434SS..EExtended strand (participates in β ladder)trans-127.4164.217632.30000110V275 I276 N278V275-T285 CarbonylContact C-O 3.56Å; V275-T285 WeakPolarHBondContact CA-O 3.5Å; V275-T285 VanDerWaalsContact CB-O 3.25Å; V275-T285 WeakPolarHBondContact CB-O 3.37Å; I276-T285 PolarHBondContact N-O 2.92Å; I276-T285 PolarHBondContact O-N 2.8Å; N278-T285 WeakPolarHBondContact OD1-CB 3.4Å; N278-T285 VanDerWaalsContact OD1-CG2 3.26Å; N278-T285 WeakPolarHBondContact OD1-CG2 3.25Å; N278-T285 PolarHBondContact OD1-N 2.96Å; N278-T285 VanDerWaalsContact OD1-N 3.09Å; N278-T285 PolarHBondContact OD1-OG1 2.73Å
286V92Very high88.5Confident18 Ų1889.1 Ų89.111%0.10946%0.463CS..EExtended strand (participates in β ladder)trans-66136.9179.1-65.60000111.2V273 N288V273-V286 HydrophobicContact CG1-CG1 3.8Å; V286-N288 WeakPolarHBondContact CG2-O 3.26Å; V286-N288 PolarHBondContact O-N 2.89Å
287A89.4Confident88.6Confident39 Ų3988 Ų8832%0.32246%0.458SS..SBendtrans-62.4-42.4-17900000112.1E274 I276E274-A287 HydrophobicContact CB-CB 4.14Å; E274-A287 HydrophobicContact CG-CB 3.86Å; E274-A287 PolarHBondContact O-N 3.47Å; I276-A287 HydrophobicContact CG2-CB 3.91Å
288N89.3Confident88.9Confident80 Ų8085 Ų8543%0.42844%0.443SS..SBendtrans-111.9121.3171.2176.4-7.1000109.9V286 A290 F291V286-N288 WeakPolarHBondContact CG2-O 3.26Å; V286-N288 PolarHBondContact O-N 2.89Å; N288-A290 PolarHBondContact O-N 2.04Å; N288-A290 WeakPolarHBondContact OD1-CB 3.48Å; N288-A290 PolarHBondContact OD1-N 3.01Å; N288-F291 HydrophobicContact CB-CD2 3.75Å; N288-F291 HydrophobicContact CB-CE2 3.91Å; N288-F291 PolarHBondContact O-N 2.89Å
289K86.1Confident89.4Confident198 Ų19882.9 Ų82.986%0.86143%0.431SS*.THydrogen-bonded Turntrans-66.7-15.5-176.5-64.7178-178.1174.20114.5F291K289-F291 VanDerWaalsContact C-N 3.29Å
290A87Confident90Very high87 Ų8772.8 Ų72.872%0.71938%0.384SS*.THydrogen-bonded Turntrans-74.1-17.8174.400000113.2N288N288-A290 PolarHBondContact O-N 2.04Å; N288-A290 WeakPolarHBondContact OD1-CB 3.48Å; N288-A290 PolarHBondContact OD1-N 3.01Å
291F85.4Confident90.6Very high139 Ų13968.9 Ų68.961%0.6136%0.362SS*.SBendtrans-87.5153.3177.5-63.7-51.7000113N288 K289N288-F291 HydrophobicContact CB-CD2 3.75Å; N288-F291 HydrophobicContact CB-CE2 3.91Å; N288-F291 PolarHBondContact O-N 2.89Å; K289-F291 VanDerWaalsContact C-N 3.29Å
292R89.9Confident91.3Very high134 Ų13470.1 Ų70.151%0.50636%0.363SS..PPolyproline II helixtrans-54.4138.7174.372.7-175.1-172.586.6-0.1111.1G271 D298G271-R292 PolarHBondContact O-NH2 2.92Å; R292-D298 IonicContact CZ-OD1 2.89Å; R292-D298 IonicContact CZ-OD2 3.18Å; R292-D298 IonicContact NH1-OD1 2.7Å; R292-D298 PolarHBondContact NH1-OD1 2.86Å; R292-D298 IonicContact NH1-OD2 2.88Å; R292-D298 PolarHBondContact NH1-OD2 3.33Å; R292-D298 VanDerWaalsContact NH2-CG 3.26Å; R292-D298 IonicContact NH2-OD1 3.21Å; R292-D298 PolarHBondContact NH2-OD1 3.37Å; R292-D298 IonicContact NH2-OD2 2.73Å; R292-D298 PolarHBondContact NH2-OD2 3.48Å
293K89.9Confident91.7Very high178 Ų17868.3 Ų68.377%0.77435%0.347SS*.PPolyproline II helixtrans-60.6138.2172.5-67.1179.9-179.4176.70110.3T295K293-T295 PolarHBondContact O-N 2.02Å
294A91.9Very high92Very high30 Ų3071.8 Ų71.825%0.24836%0.363CS..PPolyproline II helixtrans-63.2133175.800000110.9V273 V300V273-A294 HydrophobicContact CB-CB 4.01Å; V273-A294 HydrophobicContact CG1-CB 4.14Å; V273-A294 HydrophobicContact CG2-CB 4.13Å; A294-V300 HydrophobicContact CB-CG1 3.7Å
295T93.5Very high92.1Very high65 Ų6570.8 Ų70.840%0.39936%0.362SS..PPolyproline II helixtrans-89.3168174.572.70000111.5H220 K293 N297 D298H220-T295 PolarHBondContact CE1-O 3.48Å; K293-T295 PolarHBondContact O-N 2.02Å; T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 PolarHBondContact OG1-N 3.38Å; T295-D298 VanDerWaalsContact CB-OD2 3.27Å; T295-D298 WeakPolarHBondContact CB-OD2 3.46Å; T295-D298 WeakPolarHBondContact CG2-OD2 3.33Å; T295-D298 PolarHBondContact N-OD2 3.39Å; T295-D298 PolarHBondContact O-N 2.74Å; T295-D298 VanDerWaalsContact O-N 3.09Å; T295-D298 VanDerWaalsContact OG1-CG 3.29Å; T295-D298 PolarHBondContact OG1-N 3.22Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å
296K92.6Very high92.2Very high142 Ų14268.3 Ų68.362%0.61735%0.347SS*.THydrogen-bonded Turntrans-58.5-8.8173.4-64.5169.6-176.4167.40114.2
297N94.3Very high92.2Very high64 Ų6471.7 Ų71.734%0.34236%0.364SS..THydrogen-bonded Turntrans-123.210.9-177.4-55.6-20.8000112.6K268 T295K268-N297 VanDerWaalsContact CD-O 3.3Å; K268-N297 WeakPolarHBondContact CD-O 3.36Å; K268-N297 WeakPolarHBondContact CE-O 3.35Å; K268-N297 PolarHBondContact NZ-O 2.88Å; T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 PolarHBondContact OG1-N 3.38Å
298D96.5Very high92.4Very high1 Ų170.6 Ų70.61%0.00535%0.352CS..SBendtrans-100.8148.1171-65.6-57.3000110H220 K268 R292 T295H220-D298 PolarHBondContact NE2-O 3.18Å; K268-D298 IonicContact NZ-OD1 3.93Å; K268-D298 PolarHBondContact NZ-OD1 2.81Å; R292-D298 IonicContact CZ-OD1 2.89Å; R292-D298 IonicContact CZ-OD2 3.18Å; R292-D298 IonicContact NH1-OD1 2.7Å; R292-D298 PolarHBondContact NH1-OD1 2.86Å; R292-D298 IonicContact NH1-OD2 2.88Å; R292-D298 PolarHBondContact NH1-OD2 3.33Å; R292-D298 VanDerWaalsContact NH2-CG 3.26Å; R292-D298 IonicContact NH2-OD1 3.21Å; R292-D298 PolarHBondContact NH2-OD1 3.37Å; R292-D298 IonicContact NH2-OD2 2.73Å; R292-D298 PolarHBondContact NH2-OD2 3.48Å; T295-D298 VanDerWaalsContact CB-OD2 3.27Å; T295-D298 WeakPolarHBondContact CB-OD2 3.46Å; T295-D298 WeakPolarHBondContact CG2-OD2 3.33Å; T295-D298 PolarHBondContact N-OD2 3.39Å; T295-D298 PolarHBondContact O-N 2.74Å; T295-D298 VanDerWaalsContact O-N 3.09Å; T295-D298 VanDerWaalsContact OG1-CG 3.29Å; T295-D298 PolarHBondContact OG1-N 3.22Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å
299L98.1Very high92.7Very high0 Ų067.2 Ų67.20%034%0.335CS..  trans-78.3145.8169.9-60.7-178.8000110A140 F141 A144 N221 C224 K268 A272 V273A140-L299 HydrophobicContact CB-CB 4.43Å; F141-L299 HydrophobicContact CB-CD1 4.36Å; F141-L299 HydrophobicContact CD2-CD1 4.48Å; A144-L299 HydrophobicContact CB-CD1 4.46Å; A144-L299 HydrophobicContact CB-CD2 3.6Å; N221-L299 HydrophobicContact CB-CD2 4.19Å; N221-L299 WeakPolarHBondContact OD1-CA 3.18Å; N221-L299 WeakPolarHBondContact OD1-CD2 3.37Å; C224-L299 HydrophobicContact CB-CD2 3.99Å; K268-L299 HydrophobicContact CB-CD1 4.37Å; K268-L299 HydrophobicContact CB-CG 4.1Å; A272-L299 CarbonylContact C-O 3.47Å; A272-L299 VanDerWaalsContact CA-O 3.32Å; A272-L299 WeakPolarHBondContact CA-O 3.36Å; A272-L299 HydrophobicContact CB-CB 4.05Å; V273-L299 PolarHBondContact N-O 3.44Å
300V97.3Very high93Very high0 Ų061.8 Ų61.80%031%0.314CS..EExtended strand (participates in β ladder)trans-126.2151.5179.5-56.20000111.4A140 M217 H220 N221 V273 V275 F284 A294A140-V300 WeakPolarHBondContact CB-O 3.43Å; M217-V300 HydrophobicContact CB-CG2 4.32Å; M217-V300 HydrophobicContact CG-CG2 4.17Å; M217-V300 WeakPolarHBondContact CG-O 3.14Å; H220-V300 HydrophobicContact CB-CG2 4.49Å; N221-V300 PolarHBondContact ND2-O 3.14Å; N221-V300 PolarHBondContact OD1-N 3.06Å; V273-V300 VanDerWaalsContact O-CA 3.31Å; V273-V300 WeakPolarHBondContact O-CA 3.47Å; V275-V300 HydrophobicContact CG1-CB 4.04Å; V275-V300 HydrophobicContact CG1-CG1 4.06Å; V275-V300 HydrophobicContact CG2-CB 3.94Å; V275-V300 HydrophobicContact CG2-CG2 4.28Å; F284-V300 HydrophobicContact CE1-CG2 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.03Å; F284-V300 HydrophobicContact CE2-CG2 4.3Å; F284-V300 HydrophobicContact CZ-CG1 4.38Å; F284-V300 HydrophobicContact CZ-CG2 4Å; A294-V300 HydrophobicContact CB-CG1 3.7Å
301Y96.7Very high93.1Very high18 Ų1863.7 Ų63.77%0.07131%0.309CS..EExtended strand (participates in β ladder)trans-148.2157.6179.973-84.7000111.5S135 R137 A272 V273 E274 V275 E303S135-Y301 WeakPolarHBondContact O-CB 3.49Å; R137-Y301 HydrophobicContact CG-CD1 3.33Å; R137-Y301 HydrophobicContact CG-CD2 4.01Å; R137-Y301 HydrophobicContact CG-CE1 3.42Å; R137-Y301 VanDerWaalsContact CG-CE1 3.42Å; R137-Y301 HydrophobicContact CG-CE2 4.11Å; R137-Y301 HydrophobicContact CG-CG 3.63Å; A272-Y301 HydrophobicContact CB-CD1 4.16Å; A272-Y301 HydrophobicContact CB-CE1 4.38Å; V273-Y301 WeakPolarHBondContact O-CD1 3.32Å; V273-Y301 PolarHBondContact O-N 2.97Å; V273-Y301 VanDerWaalsContact O-N 3.11Å; E274-Y301 WeakPolarHBondContact CA-O 3.35Å; E274-Y301 HydrophobicContact CB-CE1 3.96Å; E274-Y301 HydrophobicContact CB-CE2 3.92Å; E274-Y301 HydrophobicContact CG-CD2 4.29Å; E274-Y301 HydrophobicContact CG-CE2 3.71Å; V275-Y301 WeakPolarHBondContact CG2-O 3.47Å; V275-Y301 PolarHBondContact N-O 2.83Å; Y301-E303 WeakPolarHBondContact CD2-O 3.32Å
302F94.3Very high93.3Very high44 Ų4460.3 Ų60.319%0.19330%0.297CS..SBendtrans-113.8-24-179.8-70.4-84.7000114S135 G213 M217 V275 M277 F284S135-F302 PolarHBondContact O-N 3.27Å; G213-F302 WeakPolarHBondContact O-CE2 3.48Å; M217-F302 HydrophobicContact CB-CD2 3.99Å; M217-F302 HydrophobicContact CB-CE2 3.63Å; M217-F302 HydrophobicContact SD-CD2 4.09Å; V275-F302 HydrophobicContact CG2-CD1 4.11Å; V275-F302 HydrophobicContact CG2-CD2 4.42Å; V275-F302 HydrophobicContact CG2-CE1 3.88Å; V275-F302 HydrophobicContact CG2-CE2 4.22Å; V275-F302 HydrophobicContact CG2-CG 4.36Å; V275-F302 HydrophobicContact CG2-CZ 3.95Å; V275-F302 WeakPolarHBondContact O-CD1 3.42Å; M277-F302 HydrophobicContact CG-CE1 3.78Å; M277-F302 HydrophobicContact CG-CZ 3.98Å; M277-F302 HydrophobicContact SD-CE1 4.15Å; M277-F302 HydrophobicContact SD-CZ 3.79Å; F284-F302 HydrophobicContact CB-CE1 4.46Å; F284-F302 HydrophobicContact CB-CZ 4.2Å
303E93.4Very high93.1Very high62 Ų6261.5 Ų61.529%0.2931%0.306SS..SBendtrans-122.5135.7-171.6-68.6170.9-108.500110.3R134 S135 S136 R214 Y301R134-E303 HydrophobicContact CG-CB 3.82Å; R134-E303 WeakPolarHBondContact CG-OE2 3.26Å; R134-E303 IonicContact NE-OE2 3.59Å; S135-E303 WeakPolarHBondContact CB-OE1 3.34Å; S135-E303 PolarHBondContact N-OE1 3.38Å; S135-E303 PolarHBondContact O-N 3.32Å; S135-E303 PolarHBondContact OG-OE1 3.39Å; S136-E303 VanDerWaalsContact CA-O 3.23Å; S136-E303 WeakPolarHBondContact CA-O 3.37Å; S136-E303 WeakPolarHBondContact CB-O 3.07Å; R214-E303 IonicContact CZ-OE1 3.84Å; R214-E303 IonicContact NH2-OE1 3.51Å; R214-E303 PolarHBondContact NH2-OE1 3.42Å; Y301-E303 WeakPolarHBondContact CD2-O 3.32Å
304N93.3Very high92.7Very high87 Ų8756.3 Ų56.347%0.46530%0.296SS..PPolyproline II helixtrans-68143.3178-80.6-69.3000112.4R134 E274R134-N304 PolarHBondContact NH1-O 2.03Å; E274-N304 PolarHBondContact OE1-ND2 3.04Å
305S93.4Very high92.3Very high29 Ų2955.4 Ų55.420%0.20329%0.289CS..PPolyproline II helixtrans-51.3136.3176.4-52.10000110.4R137 E138R137-S305 PolarHBondContact NE-OG 3.16Å; R137-S305 PolarHBondContact NH2-OG 3.49Å; R137-S305 VanDerWaalsContact NH2-OG 3.13Å; E138-S305 VanDerWaalsContact CD-OG 3.32Å; E138-S305 VanDerWaalsContact OE1-CB 3.25Å; E138-S305 WeakPolarHBondContact OE1-CB 3.11Å; E138-S305 PolarHBondContact OE1-OG 2.86Å; E138-S305 PolarHBondContact OE2-OG 3.26Å
306P92.4Very high91.7Very high19 Ų1953.1 Ų53.112%0.12328%0.277CS..PPolyproline II helixtrans-68.6167.3172.532.9-36.4000110.8Y308 A315P306-Y308 HydrophobicContact CG-CD1 4.29Å; P306-Y308 HydrophobicContact CG-CD2 4.45Å; P306-Y308 HydrophobicContact CG-CE1 3.71Å; P306-Y308 HydrophobicContact CG-CE2 3.91Å; P306-Y308 WeakPolarHBondContact O-CD2 3.37Å; P306-Y308 PolarHBondContact O-N 3.38Å; P306-A315 HydrophobicContact CB-CB 3.6Å; P306-A315 HydrophobicContact CG-CB 3.99Å
307D92Very high91.5Very high89 Ų8946.5 Ų46.548%0.47625%0.249SC..  trans-71.8111.5167.3179.929.3000110.7C309D307-C309 VanDerWaalsContact C-N 3.32Å; D307-C309 VanDerWaalsContact OD1-CB 3.26Å; D307-C309 WeakPolarHBondContact OD1-CB 3.08Å; D307-C309 PolarHBondContact OD1-N 3.26Å; D307-C309 PolarHBondContact OD1-SG 3.13Å; D307-C309 WeakPolarHBondContact OD2-CB 3.41Å
308Y94.1Very high91.3Very high16 Ų1647.8 Ų47.86%0.06326%0.256CS..  trans-83.5-0.5176.3-67.6-69.6000113.9W116 E138 P306 S317 G319W116-Y308 HydrophobicContact CB-CD1 3.8Å; W116-Y308 HydrophobicContact CB-CD2 3.81Å; W116-Y308 HydrophobicContact CB-CE1 3.83Å; W116-Y308 HydrophobicContact CB-CE2 3.82Å; W116-Y308 HydrophobicContact CB-CG 3.79Å; W116-Y308 AromaticContact CD1-CE1 3.61Å; W116-Y308 AromaticContact CD1-CZ 3.99Å; W116-Y308 HydrophobicContact CG-CD1 4.32Å; W116-Y308 AromaticContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE2 4.4Å; W116-Y308 AromaticContact CG-CZ 3.97Å; E138-Y308 HydrophobicContact CG-CE2 3.98Å; P306-Y308 HydrophobicContact CG-CD1 4.29Å; P306-Y308 HydrophobicContact CG-CD2 4.45Å; P306-Y308 HydrophobicContact CG-CE1 3.71Å; P306-Y308 HydrophobicContact CG-CE2 3.91Å; P306-Y308 WeakPolarHBondContact O-CD2 3.37Å; P306-Y308 PolarHBondContact O-N 3.38Å; Y308-S317 WeakPolarHBondContact CA-OG 3.33Å; Y308-G319 CarbonylContact O-C 3.59Å; Y308-G319 WeakPolarHBondContact O-CA 3.18Å
309C94.1Very high91.1Very high9 Ų948.3 Ų48.36%0.06126%0.261CS..SBendtrans-66.8-41.8177-66.10000112.9R115 D307 G319 T320 C340 R342R115-C309 PolarHBondContact NH1-SG 3.05Å; D307-C309 VanDerWaalsContact C-N 3.32Å; D307-C309 VanDerWaalsContact OD1-CB 3.26Å; D307-C309 WeakPolarHBondContact OD1-CB 3.08Å; D307-C309 PolarHBondContact OD1-N 3.26Å; D307-C309 PolarHBondContact OD1-SG 3.13Å; D307-C309 WeakPolarHBondContact OD2-CB 3.41Å; C309-G319 WeakPolarHBondContact O-CA 3.38Å; C309-T320 PolarHBondContact O-N 3.47Å; C309-T320 PolarHBondContact O-OG1 2.03Å; C309-C340 HydrophobicContact CB-CB 3.68Å; C309-C340 WeakPolarHBondContact CB-SG 3.37Å; C309-C340 WeakPolarHBondContact SG-CB 3.05Å; C309-C340 CovalentContact SG-SG 2.02Å; C309-C340 PolarHBondContact SG-SG 2.02Å; C309-R342 PolarHBondContact O-NH1 2.83Å
310L92.3Very high91Very high84 Ų8448.3 Ų48.344%0.4426%0.261SS..SBendtrans-99.2156.1-179.2-58.7-178.9000111D312 S317 G319 P382L310-D312 PolarHBondContact O-N 2.93Å; L310-S317 WeakPolarHBondContact O-CB 3.06Å; L310-S317 PolarHBondContact O-OG 3.14Å; L310-G319 VanDerWaalsContact C-CA 3.42Å; L310-G319 WeakPolarHBondContact O-CA 3.39Å; L310-G319 PolarHBondContact O-N 3.2Å; L310-P382 HydrophobicContact CD2-CB 4.11Å; L310-P382 HydrophobicContact CD2-CG 3.68Å
311Q90.4Very high90.9Very high128 Ų12850.6 Ų50.660%0.59828%0.28SS*.EExtended strand (participates in β ladder)trans-77.9120.3173.2-177.3173.393.200109.4L318Q311-L318 WeakPolarHBondContact CB-O 3.32Å; Q311-L318 PolarHBondContact NE2-O 3.25Å
312D88.6Confident90.8Very high67 Ų6752.7 Ų52.736%0.35831%0.307SS..EExtended strand (participates in β ladder)trans-133.4110.1174176.919.7000110.4L310 A314 A315 G316 S317L310-D312 PolarHBondContact O-N 2.93Å; D312-A314 PolarHBondContact O-N 3.41Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.3Å; D312-A314 WeakPolarHBondContact OD1-CB 3.01Å; D312-A314 PolarHBondContact OD1-N 3.49Å; D312-A315 HydrophobicContact CB-CB 4.43Å; D312-A315 WeakPolarHBondContact OD2-CB 3.24Å; D312-A315 PolarHBondContact OD2-N 3Å; D312-G316 CarbonylContact O-C 3.55Å; D312-G316 PolarHBondContact O-N 3.26Å; D312-S317 CarbonylContact C-O 3.53Å; D312-S317 PolarHBondContact N-O 3.16Å; D312-S317 PolarHBondContact O-N 3.28Å
313K85Confident90.9Very high160 Ų16052.3 Ų52.370%0.69631%0.305SS*.THydrogen-bonded Turntrans-71-16.3177.4-62.5178.2-176.3173.50112.6R130R130-K313 WeakPolarHBondContact CD-O 3.5Å; R130-K313 PolarHBondContact NH1-O 3.11Å
314A83.3Confident91Very high68 Ų6854 Ų5456%0.56232%0.318SS*.THydrogen-bonded Turntrans-78.6-56.717400000111D312 G316D312-A314 PolarHBondContact O-N 3.41Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.3Å; D312-A314 WeakPolarHBondContact OD1-CB 3.01Å; D312-A314 PolarHBondContact OD1-N 3.49Å; A314-G316 VanDerWaalsContact C-N 3.27Å; A314-G316 PolarHBondContact O-N 3.3Å
315A81.8Confident91.2Very high12 Ų1250.3 Ų50.310%0.09930%0.3CS..THydrogen-bonded Turntrans-74.6-9.6177.900000115P306 D312P306-A315 HydrophobicContact CB-CB 3.6Å; P306-A315 HydrophobicContact CG-CB 3.99Å; D312-A315 HydrophobicContact CB-CB 4.43Å; D312-A315 WeakPolarHBondContact OD2-CB 3.24Å; D312-A315 PolarHBondContact OD2-N 3Å
316G81.9Confident91.3Very high16 Ų1651.8 Ų51.817%0.16531%0.305CS..THydrogen-bonded Turntrans8126-178.600000113.9D312 A314D312-G316 CarbonylContact O-C 3.55Å; D312-G316 PolarHBondContact O-N 3.26Å; A314-G316 VanDerWaalsContact C-N 3.27Å; A314-G316 PolarHBondContact O-N 3.3Å
317S88.9Confident91.5Very high4 Ų456.8 Ų56.83%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-88.4130172179.70000111.2Y308 L310 D312 G319Y308-S317 WeakPolarHBondContact CA-OG 3.33Å; L310-S317 WeakPolarHBondContact O-CB 3.06Å; L310-S317 PolarHBondContact O-OG 3.14Å; D312-S317 CarbonylContact C-O 3.53Å; D312-S317 PolarHBondContact N-O 3.16Å; D312-S317 PolarHBondContact O-N 3.28Å; S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact OG-N 3.22Å; S317-G319 VanDerWaalsContact OG-N 3.08Å
318L89.9Confident91.6Very high90 Ų9058.6 Ų58.647%0.47134%0.339SS..EExtended strand (participates in β ladder)trans-81.5-15.1168-63.8-176.4000113.1S119 L121 Q311S119-L318 WeakPolarHBondContact OG-CD1 3.18Å; L121-L318 HydrophobicContact CD2-CD1 4.37Å; L121-L318 HydrophobicContact CD2-CD2 4Å; Q311-L318 WeakPolarHBondContact CB-O 3.32Å; Q311-L318 PolarHBondContact NE2-O 3.25Å
319G92.9Very high91.7Very high12 Ų1259.5 Ų59.512%0.12435%0.348CS..  trans80.5179-171.400000113.9Y308 C309 L310 S317Y308-G319 CarbonylContact O-C 3.59Å; Y308-G319 WeakPolarHBondContact O-CA 3.18Å; C309-G319 WeakPolarHBondContact O-CA 3.38Å; L310-G319 VanDerWaalsContact C-CA 3.42Å; L310-G319 WeakPolarHBondContact O-CA 3.39Å; L310-G319 PolarHBondContact O-N 3.2Å; S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact OG-N 3.22Å; S317-G319 VanDerWaalsContact OG-N 3.08Å
320T95.6Very high91.7Very high0 Ų070.5 Ų70.50%039%0.388CS..SBendtrans-1135.6179.461.50000115.2R115 C309 R323 M338 R342 C379R115-T320 HydrophobicContact CB-CG2 3.88Å; R115-T320 HydrophobicContact CG-CG2 4.01Å; C309-T320 PolarHBondContact O-N 3.47Å; C309-T320 PolarHBondContact O-OG1 2.03Å; T320-R323 PolarHBondContact O-N 2.81Å; T320-M338 WeakPolarHBondContact CB-O 3.3Å; T320-M338 WeakPolarHBondContact CG2-O 3.46Å; T320-M338 PolarHBondContact OG1-O 3Å; T320-R342 PolarHBondContact OG1-NH1 2.72Å; T320-R342 PolarHBondContact OG1-NH2 2.75Å; T320-C379 WeakPolarHBondContact O-CB 3.49Å
321A95.3Very high91.7Very high49 Ų4968 Ų6841%0.40538%0.383SS..THydrogen-bonded Turntrans-63.7142.9173.600000111.1R323 A381A321-R323 PolarHBondContact O-N 3.08Å; A321-A381 HydrophobicContact CB-CB 4.41Å
322G94.6Very high91.9Very high61 Ų6164.4 Ų64.463%0.62937%0.37SS*.THydrogen-bonded Turntrans71.66.9179.300000115T378 C379G322-T378 VanDerWaalsContact C-CG2 3.47Å; G322-C379 PolarHBondContact N-O 2.9Å
323R95.4Very high92.3Very high37 Ų3762.8 Ų62.814%0.1436%0.361CS..  trans-88.8136.3177-70.6-168.359.7174.7-6.5112.2R112 H114 R115 T320 A321 M338 T378 C379R112-R323 PolarHBondContact O-NH2 3.46Å; H114-R323 VanDerWaalsContact O-CZ 3.27Å; H114-R323 PolarHBondContact O-NH1 3.01Å; H114-R323 PolarHBondContact O-NH2 3.27Å; R115-R323 PolarHBondContact O-NH1 3.09Å; T320-R323 PolarHBondContact O-N 2.81Å; A321-R323 PolarHBondContact O-N 3.08Å; R323-M338 PolarHBondContact NH2-SD 3.16Å; R323-T378 CarbonylContact O-C 3.6Å; R323-T378 WeakPolarHBondContact O-CA 3Å; R323-C379 PolarHBondContact O-N 2.84Å
324V95.8Very high92.8Very high96 Ų9655.1 Ų55.158%0.58233%0.328SS*.EExtended strand (participates in β ladder)trans-62.8139169.4-178.90000110.2I376 H377V324-I376 HydrophobicContact CG1-CG2 4.12Å; V324-I376 HydrophobicContact CG2-CG2 3.97Å; V324-H377 CarbonylContact C-O 3.47Å; V324-H377 VanDerWaalsContact CA-O 3.3Å; V324-H377 WeakPolarHBondContact CA-O 3.48Å
325C96.7Very high93.5Very high11 Ų1152.2 Ų52.27%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-135.5164.8176.267.20000111.2C335 M338 C339 H377C325-C335 HydrophobicContact CB-CB 3.85Å; C325-C335 WeakPolarHBondContact CB-SG 3.33Å; C325-C335 VanDerWaalsContact SG-CA 3.53Å; C325-C335 WeakPolarHBondContact SG-CB 3.29Å; C325-C335 CovalentContact SG-SG 2.04Å; C325-C335 PolarHBondContact SG-SG 2.72Å; C325-M338 HydrophobicContact CB-CB 3.93Å; C325-M338 HydrophobicContact CB-CG 4.01Å; C325-C339 PolarHBondContact SG-SG 3.28Å; C325-H377 PolarHBondContact N-O 2.99Å
326N96.6Very high94.1Very high59 Ų5959 Ų5932%0.31633%0.333SS..BIsolated β-bridgetrans-103.1124.5178.9-175.2-8.9000110.3T328 S329 D333 G334 C335N326-T328 PolarHBondContact OD1-N 2.84Å; N326-T328 PolarHBondContact OD1-OG1 2.81Å; N326-T328 VanDerWaalsContact OD1-OG1 3.05Å; N326-S329 VanDerWaalsContact ND2-CB 3.33Å; N326-S329 WeakPolarHBondContact ND2-CB 3.48Å; N326-S329 PolarHBondContact OD1-N 2.88Å; N326-D333 HydrophobicContact CB-CB 4.3Å; N326-D333 WeakPolarHBondContact CB-OD2 3.22Å; N326-D333 PolarHBondContact N-O 3.42Å; N326-D333 PolarHBondContact ND2-OD2 2.68Å; N326-G334 CarbonylContact O-C 3.6Å; N326-G334 VanDerWaalsContact O-CA 3.29Å; N326-G334 WeakPolarHBondContact O-CA 3.38Å; N326-C335 PolarHBondContact O-N 2.82Å; N326-C335 PolarHBondContact O-SG 3.25Å; N326-C335 VanDerWaalsContact O-SG 3.41Å
327K95.8Very high94.8Very high124 Ų12460.4 Ų60.454%0.53934%0.338SS..SBendtrans-75.7-26.8-179173.9176178.2-173.30113.5Y344 H377K327-Y344 HydrophobicContact CD-CE2 4.31Å; K327-Y344 WeakPolarHBondContact CD-OH 3.3Å; K327-Y344 WeakPolarHBondContact CG-OH 3.16Å; K327-H377 WeakPolarHBondContact CB-CD2 3.47Å; K327-H377 VanDerWaalsContact CB-NE2 3.34Å; K327-H377 WeakPolarHBondContact CB-NE2 3.32Å
328T94.9Very high95.1Very high127 Ų12760.4 Ų60.478%0.77934%0.338SS*.SBendtrans-94.2-22.4-176.760.80000113.1N326N326-T328 PolarHBondContact OD1-N 2.84Å; N326-T328 PolarHBondContact OD1-OG1 2.81Å; N326-T328 VanDerWaalsContact OD1-OG1 3.05Å
329S96.1Very high95.4Very high35 Ų3556.1 Ų56.125%0.24532%0.315CS..  trans-74.8137.8177.1-177.60000112.6N326 G331 D333 G334N326-S329 VanDerWaalsContact ND2-CB 3.33Å; N326-S329 WeakPolarHBondContact ND2-CB 3.48Å; N326-S329 PolarHBondContact OD1-N 2.88Å; S329-G331 WeakPolarHBondContact OG-CA 3.02Å; S329-G331 PolarHBondContact OG-N 2.85Å; S329-D333 WeakPolarHBondContact CB-OD1 3.24Å; S329-D333 WeakPolarHBondContact CB-OD2 3Å; S329-D333 VanDerWaalsContact OG-CG 3.25Å; S329-D333 PolarHBondContact OG-OD1 2.04Å; S329-D333 PolarHBondContact OG-OD2 3.14Å; S329-G334 WeakPolarHBondContact O-CA 3.43Å
330R93.3Very high95.5Very high240 Ų24057.1 Ų57.191%0.90632%0.32SS*.  trans-95.96.2165.2-58.9-177.9-177.9179.3-0.5112.3
331G93.8Very high95.4Very high31 Ų3160.5 Ų60.532%0.3236%0.355SS..SBendtrans-81.1-165.9176.900000113S329 D333 G334 V337S329-G331 WeakPolarHBondContact OG-CA 3.02Å; S329-G331 PolarHBondContact OG-N 2.85Å; G331-D333 VanDerWaalsContact C-N 3.32Å; G331-D333 PolarHBondContact O-N 2.73Å; G331-G334 WeakPolarHBondContact O-CA 3.45Å; G331-G334 PolarHBondContact O-N 2.9Å; G331-V337 WeakPolarHBondContact O-CG2 3.04Å
332T94.6Very high95.4Very high54 Ų5460.8 Ų60.833%0.33135%0.345SS..THydrogen-bonded Turntrans-74.8-21.7-178.651.40000113.7H113 G334 V337 M338H113-T332 CarbonylContact O-C 3.51Å; H113-T332 VanDerWaalsContact O-CB 3.26Å; H113-T332 WeakPolarHBondContact O-CB 3.2Å; H113-T332 VanDerWaalsContact O-O 3.04Å; H113-T332 PolarHBondContact O-OG1 3.42Å; H113-T332 VanDerWaalsContact O-OG1 3.11Å; T332-G334 VanDerWaalsContact C-N 3.28Å; T332-V337 HydrophobicContact CG2-CG1 4.41Å; T332-M338 WeakPolarHBondContact O-CE 3.42Å
333D95.6Very high95.4Very high32 Ų3259.3 Ų59.317%0.17133%0.331CS..THydrogen-bonded Turntrans-72.2-20.5165.563.6-48.1000112.9H113 N326 S329 G331H113-D333 HydrophobicContact CB-CB 3.95Å; H113-D333 PolarHBondContact O-N 3.34Å; N326-D333 HydrophobicContact CB-CB 4.3Å; N326-D333 WeakPolarHBondContact CB-OD2 3.22Å; N326-D333 PolarHBondContact N-O 3.42Å; N326-D333 PolarHBondContact ND2-OD2 2.68Å; S329-D333 WeakPolarHBondContact CB-OD1 3.24Å; S329-D333 WeakPolarHBondContact CB-OD2 3Å; S329-D333 VanDerWaalsContact OG-CG 3.25Å; S329-D333 PolarHBondContact OG-OD1 2.04Å; S329-D333 PolarHBondContact OG-OD2 3.14Å; G331-D333 VanDerWaalsContact C-N 3.32Å; G331-D333 PolarHBondContact O-N 2.73Å
334G97.2Very high95.5Very high0 Ų061 Ų610%034%0.337CS..BIsolated β-bridgetrans-56.9133.6-178.800000112.2N326 S329 G331 T332 E336 V337 M338N326-G334 CarbonylContact O-C 3.6Å; N326-G334 VanDerWaalsContact O-CA 3.29Å; N326-G334 WeakPolarHBondContact O-CA 3.38Å; S329-G334 WeakPolarHBondContact O-CA 3.43Å; G331-G334 WeakPolarHBondContact O-CA 3.45Å; G331-G334 PolarHBondContact O-N 2.9Å; T332-G334 VanDerWaalsContact C-N 3.28Å; G334-E336 PolarHBondContact O-N 2.95Å; G334-E336 VanDerWaalsContact O-N 3.14Å; G334-V337 PolarHBondContact O-N 3.48Å; G334-M338 WeakPolarHBondContact O-CB 3.47Å; G334-M338 PolarHBondContact O-N 2.89Å
335C96.9Very high95.5Very high7 Ų760.3 Ų60.35%0.04733%0.331CS..Hα-helixtrans-57.9-31.5-175-68.80000113.8C325 N326 C339 Y344C325-C335 HydrophobicContact CB-CB 3.85Å; C325-C335 WeakPolarHBondContact CB-SG 3.33Å; C325-C335 VanDerWaalsContact SG-CA 3.53Å; C325-C335 WeakPolarHBondContact SG-CB 3.29Å; C325-C335 CovalentContact SG-SG 2.04Å; C325-C335 PolarHBondContact SG-SG 2.72Å; N326-C335 PolarHBondContact O-N 2.82Å; N326-C335 PolarHBondContact O-SG 3.25Å; N326-C335 VanDerWaalsContact O-SG 3.41Å; C335-C339 WeakPolarHBondContact O-CA 3.47Å; C335-C339 WeakPolarHBondContact O-CB 3.42Å; C335-C339 PolarHBondContact O-N 2.84Å; C335-C339 PolarHBondContact O-SG 2.71Å; C335-Y344 HydrophobicContact CB-CD1 3.49Å; C335-Y344 VanDerWaalsContact CB-CD1 3.49Å; C335-Y344 HydrophobicContact CB-CE1 3.72Å; C335-Y344 HydrophobicContact CB-CG 4.19Å
336E94.9Very high95.5Very high155 Ų15563 Ų6372%0.72435%0.347SS*.Hα-helixtrans-59-49172.1-174.8179.4-178.500111.8G334 C340 G341G334-E336 PolarHBondContact O-N 2.95Å; G334-E336 VanDerWaalsContact O-N 3.14Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 VanDerWaalsContact O-N 3.16Å; E336-G341 PolarHBondContact O-N 2.8Å
337V95.3Very high95.4Very high45 Ų4563.7 Ų63.727%0.27335%0.353SS..Hα-helixtrans-78.8-43.1-176.5-176.40000111.8R115 G331 T332 G334R115-V337 VanDerWaalsContact CZ-O 3.28Å; R115-V337 PolarHBondContact NE-O 3.35Å; R115-V337 PolarHBondContact NH2-O 2.91Å; G331-V337 WeakPolarHBondContact O-CG2 3.04Å; T332-V337 HydrophobicContact CG2-CG1 4.41Å; G334-V337 PolarHBondContact O-N 3.48Å
338M96.3Very high95.4Very high3 Ų366.2 Ų66.22%0.01536%0.359CS..Hα-helixtrans-68.1-45.6-179.9-173.699.4-54.200111.5R115 T320 R323 C325 T332 G334 C379R115-M338 HydrophobicContact CG-CE 4.21Å; T320-M338 WeakPolarHBondContact CB-O 3.3Å; T320-M338 WeakPolarHBondContact CG2-O 3.46Å; T320-M338 PolarHBondContact OG1-O 3Å; R323-M338 PolarHBondContact NH2-SD 3.16Å; C325-M338 HydrophobicContact CB-CB 3.93Å; C325-M338 HydrophobicContact CB-CG 4.01Å; T332-M338 WeakPolarHBondContact O-CE 3.42Å; G334-M338 WeakPolarHBondContact O-CB 3.47Å; G334-M338 PolarHBondContact O-N 2.89Å; M338-C379 VanDerWaalsContact CG-SG 3.59Å
339C96.6Very high95.4Very high0 Ų062.7 Ų62.70%034%0.338CS..Hα-helixtrans-89.6-3.1-176.1-43.60000113.4C325 C335 G341 R342 G343 C379C325-C339 PolarHBondContact SG-SG 3.28Å; C335-C339 WeakPolarHBondContact O-CA 3.47Å; C335-C339 WeakPolarHBondContact O-CB 3.42Å; C335-C339 PolarHBondContact O-N 2.84Å; C335-C339 PolarHBondContact O-SG 2.71Å; C339-G341 PolarHBondContact O-N 3.06Å; C339-R342 WeakPolarHBondContact O-CB 3.32Å; C339-R342 WeakPolarHBondContact O-CG 3.1Å; C339-R342 PolarHBondContact O-N 3.47Å; C339-R342 VanDerWaalsContact O-N 3.17Å; C339-R342 PolarHBondContact O-NH1 2.67Å; C339-G343 VanDerWaalsContact CB-O 3.32Å; C339-G343 WeakPolarHBondContact CB-O 3.41Å; C339-C379 WeakPolarHBondContact CA-SG 3.35Å; C339-C379 HydrophobicContact CB-CB 3.59Å; C339-C379 WeakPolarHBondContact CB-SG 3.44Å; C339-C379 PolarHBondContact N-SG 2.88Å; C339-C379 VanDerWaalsContact N-SG 3.38Å; C339-C379 WeakPolarHBondContact SG-CA 3.43Å; C339-C379 WeakPolarHBondContact SG-CB 3.29Å; C339-C379 CovalentContact SG-SG 2.04Å; C339-C379 PolarHBondContact SG-SG 3.1Å
340C95.4Very high95.3Very high34 Ų3466.4 Ų66.423%0.2335%0.353CS..THydrogen-bonded Turntrans5551173.8-45.70000113.1R115 C309 E336 R342R115-C340 PolarHBondContact NE-SG 3.15Å; C309-C340 HydrophobicContact CB-CB 3.68Å; C309-C340 WeakPolarHBondContact CB-SG 3.37Å; C309-C340 WeakPolarHBondContact SG-CB 3.05Å; C309-C340 CovalentContact SG-SG 2.02Å; C309-C340 PolarHBondContact SG-SG 2.02Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 VanDerWaalsContact O-N 3.16Å; C340-R342 PolarHBondContact O-N 3.37Å
341G92.9Very high95.3Very high71 Ų7159.5 Ų59.573%0.73233%0.331SS*.THydrogen-bonded Turntrans70.4-8.6-179.400000116.2E336 C339 G343E336-G341 PolarHBondContact O-N 2.8Å; C339-G341 PolarHBondContact O-N 3.06Å; G341-G343 PolarHBondContact O-N 2.97Å; G341-G343 VanDerWaalsContact O-N 3.13Å
342R94.5Very high95.4Very high54 Ų5463 Ų6320%0.20434%0.34CS..SBendtrans-70.1-7.4179.4-55.1-169.6-52.1-85.2-4.1114.3C309 T320 C339 C340 K380C309-R342 PolarHBondContact O-NH1 2.83Å; T320-R342 PolarHBondContact OG1-NH1 2.72Å; T320-R342 PolarHBondContact OG1-NH2 2.75Å; C339-R342 WeakPolarHBondContact O-CB 3.32Å; C339-R342 WeakPolarHBondContact O-CG 3.1Å; C339-R342 PolarHBondContact O-N 3.47Å; C339-R342 VanDerWaalsContact O-N 3.17Å; C339-R342 PolarHBondContact O-NH1 2.67Å; C340-R342 PolarHBondContact O-N 3.37Å; R342-K380 HydrophobicContact CB-CB 4.41Å; R342-K380 VanDerWaalsContact CZ-O 3.3Å; R342-K380 PolarHBondContact NE-O 3.31Å; R342-K380 PolarHBondContact NH2-O 2.83Å
343G94.8Very high95.4Very high31 Ų3162.4 Ų62.432%0.3234%0.337SS..  trans72.4-174.6-170.600000113.4C339 G341 K380C339-G343 VanDerWaalsContact CB-O 3.32Å; C339-G343 WeakPolarHBondContact CB-O 3.41Å; G341-G343 PolarHBondContact O-N 2.97Å; G341-G343 VanDerWaalsContact O-N 3.13Å; G343-K380 WeakPolarHBondContact O-CB 3.31Å; G343-K380 PolarHBondContact O-N 3.08Å
344Y96.8Very high95.4Very high71 Ų7167.1 Ų67.128%0.27836%0.356SS..EExtended strand (participates in β ladder)trans-138.5160-177.452.8-84.1000110.2K327 C335 H377 T378 K380K327-Y344 HydrophobicContact CD-CE2 4.31Å; K327-Y344 WeakPolarHBondContact CD-OH 3.3Å; K327-Y344 WeakPolarHBondContact CG-OH 3.16Å; C335-Y344 HydrophobicContact CB-CD1 3.49Å; C335-Y344 VanDerWaalsContact CB-CD1 3.49Å; C335-Y344 HydrophobicContact CB-CE1 3.72Å; C335-Y344 HydrophobicContact CB-CG 4.19Å; Y344-H377 HydrophobicContact CD2-CB 3.71Å; Y344-H377 AromaticContact CD2-CG 3.97Å; Y344-H377 AromaticContact CD2-ND1 3.87Å; Y344-H377 HydrophobicContact CE2-CB 4.19Å; Y344-H377 AromaticContact CE2-CG 3.97Å; Y344-H377 AromaticContact CE2-ND1 3.66Å; Y344-H377 HydrophobicContact CG-CB 4.33Å; Y344-T378 CarbonylContact C-O 3.5Å; Y344-T378 WeakPolarHBondContact CA-O 3.43Å; Y344-T378 VanDerWaalsContact CB-O 3.3Å; Y344-T378 WeakPolarHBondContact CB-O 3.5Å; Y344-K380 WeakPolarHBondContact O-CE 3.43Å; Y344-K380 PolarHBondContact O-NZ 3.05Å
345D96.3Very high95.2Very high83 Ų8368.2 Ų68.244%0.44436%0.363SS..EExtended strand (participates in β ladder)trans-95.3156.6162-67.6-58.1000109.4H377 T378 K380D345-H377 CarbonylContact O-C 3.58Å; D345-H377 WeakPolarHBondContact O-CA 3.26Å; D345-T378 PolarHBondContact N-O 3.13Å; D345-T378 PolarHBondContact O-N 3.39Å; D345-K380 WeakPolarHBondContact OD1-CE 3.42Å; D345-K380 IonicContact OD1-NZ 3.9Å; D345-K380 PolarHBondContact OD1-NZ 3.2Å; D345-K380 WeakPolarHBondContact OD2-CE 3.27Å; D345-K380 WeakPolarHBondContact OD2-CG 3.33Å
346T96.7Very high95.2Very high67 Ų6773 Ų7341%0.41139%0.385SS..EExtended strand (participates in β ladder)trans-124.5122.5177.4-58.60000108.7D375 I376 H377T346-D375 HydrophobicContact CG2-CB 3.97Å; T346-I376 WeakPolarHBondContact CA-O 3.49Å; T346-H377 WeakPolarHBondContact CG2-ND1 3.29Å; T346-H377 PolarHBondContact OG1-ND1 3.36Å
347T95.4Very high95.2Very high73 Ų7369 Ų6945%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-121.2116.2179.550.70000108.4I376T347-I376 PolarHBondContact N-O 3.39Å; T347-I376 PolarHBondContact O-N 2.88Å; T347-I376 PolarHBondContact OG1-O 3.14Å
348R95Very high95.2Very high178 Ų17873.5 Ų73.567%0.67239%0.389SS*.EExtended strand (participates in β ladder)trans-78.7127.7173.2-164.5165.3-157.6-176.96109.5A373 V374 D375R348-A373 HydrophobicContact CG-CB 4.47Å; R348-A373 PolarHBondContact NE-O 3.37Å; R348-A373 PolarHBondContact NH2-O 3.45Å; R348-V374 WeakPolarHBondContact CA-O 3.35Å; R348-D375 WeakPolarHBondContact CB-OD1 3.24Å; R348-D375 WeakPolarHBondContact CD-OD1 3.47Å; R348-D375 VanDerWaalsContact CG-OD1 3.25Å; R348-D375 WeakPolarHBondContact CG-OD1 3.5Å; R348-D375 IonicContact NE-OD1 3.44Å
349V94.7Very high95.1Very high53 Ų5379.1 Ų79.132%0.32141%0.414SS..EExtended strand (participates in β ladder)trans-127.1147-179.6-59.40000110.2Q351 A373 V374 I376V349-Q351 PolarHBondContact O-N 3.11Å; V349-A373 CarbonylContact O-C 3.5Å; V349-V374 PolarHBondContact N-O 3.3Å; V349-V374 PolarHBondContact O-N 3.28Å; V349-I376 HydrophobicContact CG2-CD1 3.57Å; V349-I376 HydrophobicContact CG2-CG1 3.94Å
350M95.1Very high94.9Very high113 Ų11383.8 Ų83.856%0.55743%0.434SS*.EExtended strand (participates in β ladder)trans-79.5115.9165.6-60.8-54-61.100108E371 A373M350-E371 HydrophobicContact CE-CB 3.61Å; M350-A373 HydrophobicContact CE-CB 4.32Å; M350-A373 HydrophobicContact SD-CB 3.68Å
351Q93.3Very high94.4Very high95 Ų9593.9 Ų93.944%0.44447%0.467SS..EExtended strand (participates in β ladder)trans-106.5126.6173.5-178.2173.6-20.800109.2V349 T353 E372 V374V349-Q351 PolarHBondContact O-N 3.11Å; Q351-T353 HydrophobicContact CG-CG2 4.15Å; Q351-E372 PolarHBondContact N-O 2.98Å; Q351-E372 PolarHBondContact O-N 2.87Å; Q351-V374 HydrophobicContact CB-CG2 4.28Å
352I94.8Very high93.7Very high103 Ų10395.1 Ų95.153%0.52846%0.464SS..EExtended strand (participates in β ladder)trans-81127.2172.2-54.5179.1000108.7D369 C370 E371I352-D369 HydrophobicContact CG2-CB 3.69Å; I352-D369 WeakPolarHBondContact CG2-OD1 3.49Å; I352-C370 CarbonylContact C-O 3.5Å; I352-C370 WeakPolarHBondContact CA-O 3.49Å; I352-E371 HydrophobicContact CG1-CG 4.41Å
353T94.7Very high93.4Very high42 Ų4298.4 Ų98.426%0.25849%0.494SS..EExtended strand (participates in β ladder)trans-126.4150.4177.166.80000110.8Q351 C355 C370Q351-T353 HydrophobicContact CG-CG2 4.15Å; T353-C355 PolarHBondContact O-N 3.32Å; T353-C370 PolarHBondContact N-O 3.37Å; T353-C370 PolarHBondContact O-N 3.08Å
354K95.1Very high93.3Very high131 Ų13198.6 Ų98.657%0.5749%0.493SS*.EExtended strand (participates in β ladder)trans-81.3117.7175.4-68-60.2-175-174.30109.7C367 K368 D369K354-C367 HydrophobicContact CB-CB 3.95Å; K354-C367 HydrophobicContact CD-CB 4.14Å; K354-C367 HydrophobicContact CG-CB 4.47Å; K354-K368 WeakPolarHBondContact CA-O 3.14Å; K354-D369 WeakPolarHBondContact CD-OD1 3.04Å; K354-D369 WeakPolarHBondContact CE-OD1 3.27Å; K354-D369 IonicContact NZ-OD1 2.74Å; K354-D369 PolarHBondContact NZ-OD1 3.45Å; K354-D369 IonicContact NZ-OD2 2.68Å; K354-D369 PolarHBondContact NZ-OD2 3.31Å
355C94.9Very high93.2Very high23 Ų2399.7 Ų99.716%0.15551%0.506CS..EExtended strand (participates in β ladder)trans-128.1169.6-172.166.30000111.7T353 C357 C367 K368 C370T353-C355 PolarHBondContact O-N 3.32Å; C355-C357 PolarHBondContact O-N 2.84Å; C355-C367 WeakPolarHBondContact O-CA 3.3Å; C355-C367 WeakPolarHBondContact O-CB 3.08Å; C355-K368 PolarHBondContact N-O 3.29Å; C355-K368 PolarHBondContact O-N 2.94Å; C355-C370 HydrophobicContact CB-CB 3.69Å; C355-C370 WeakPolarHBondContact CB-SG 3.47Å; C355-C370 WeakPolarHBondContact SG-CB 3.42Å; C355-C370 PolarHBondContact SG-N 3.45Å; C355-C370 VanDerWaalsContact SG-N 3.39Å; C355-C370 CovalentContact SG-SG 2.02Å; C355-C370 PolarHBondContact SG-SG 3.42Å
356E95.1Very high93.1Very high108 Ų108100.5 Ų100.551%0.50551%0.508SS..EExtended strand (participates in β ladder)trans48.332.8178.9-67.7-171.5-13100114.8K358 K368E356-K358 PolarHBondContact O-N 3.41Å; E356-K368 HydrophobicContact CB-CD 4.22Å; E356-K368 HydrophobicContact CB-CG 4.45Å; E356-K368 HydrophobicContact CG-CD 4.4Å; E356-K368 IonicContact OE1-NZ 2.84Å; E356-K368 PolarHBondContact OE1-NZ 2.8Å; E356-K368 VanDerWaalsContact OE2-CE 3.24Å; E356-K368 WeakPolarHBondContact OE2-CE 3.03Å; E356-K368 IonicContact OE2-NZ 2.78Å; E356-K368 PolarHBondContact OE2-NZ 3.01Å
357C95.8Very high93.2Very high70 Ų7099.4 Ų99.447%0.47350%0.502SS..EExtended strand (participates in β ladder)trans-59.9118.4-175.6-63.70000112.2C355 V365 E366 C367C355-C357 PolarHBondContact O-N 2.84Å; C357-V365 HydrophobicContact CB-CG1 3.99Å; C357-E366 CarbonylContact C-O 3.56Å; C357-E366 WeakPolarHBondContact CA-O 3.35Å; C357-C367 HydrophobicContact CB-CB 4.08Å; C357-C367 WeakPolarHBondContact CB-SG 3.5Å; C357-C367 WeakPolarHBondContact SG-CB 3.3Å; C357-C367 CovalentContact SG-SG 2.04Å; C357-C367 PolarHBondContact SG-SG 3.15Å
358K94.7Very high93.2Very high141 Ų141101.4 Ų101.461%0.61350%0.504SS*.EExtended strand (participates in β ladder)trans-112128.2177.3-69.1174.1-171.2179.40109.9E356 E366E356-K358 PolarHBondContact O-N 3.41Å; K358-E366 PolarHBondContact N-O 3.34Å; K358-E366 PolarHBondContact O-N 3.38Å
359F95.4Very high93.3Very high120 Ų12097.5 Ų97.553%0.52650%0.497SS..EExtended strand (participates in β ladder)trans-77.7122.9169.6-174.5-98.3000109.4W361 A364 V365F359-W361 HydrophobicContact CD1-CE3 4.3Å; F359-W361 AromaticContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CZ3 4.16Å; F359-A364 WeakPolarHBondContact CA-O 3.04Å; F359-V365 HydrophobicContact CD2-CG2 3.83Å
360K92.2Very high93.4Very high99 Ų9997.2 Ų97.243%0.4350%0.497SS..EExtended strand (participates in β ladder)trans-88.5136.1166.4-73-174.2174.8171.10108.7C362 C363 A364 E366K360-C362 PolarHBondContact O-N 3.08Å; K360-C363 PolarHBondContact O-N 2.93Å; K360-A364 HydrophobicContact CB-CB 4.45Å; K360-A364 PolarHBondContact N-O 3.47Å; K360-E366 WeakPolarHBondContact CD-OE1 3.43Å; K360-E366 VanDerWaalsContact CE-OE1 3.27Å; K360-E366 WeakPolarHBondContact CE-OE1 3.42Å; K360-E366 WeakPolarHBondContact CE-OE2 3.17Å; K360-E366 IonicContact NZ-OE1 2.67Å; K360-E366 PolarHBondContact NZ-OE1 3.37Å; K360-E366 IonicContact NZ-OE2 2.72Å; K360-E366 PolarHBondContact NZ-OE2 3.05Å
361W83.7Confident93.4Very high245 Ų24598.4 Ų98.493%0.92850%0.501SS*.THydrogen-bonded Turntrans-74.960.3-178.2-167.8-99.4000112.7F359F359-W361 HydrophobicContact CD1-CE3 4.3Å; F359-W361 AromaticContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CZ3 4.16Å
362C78.1Confident93.5Very high98 Ų9899.2 Ų99.266%0.66251%0.505SS*.THydrogen-bonded Turntrans-160.129.1174.154.30000110.3K360K360-C362 PolarHBondContact O-N 3.08Å
363C88.3Confident93.4Very high122 Ų12296 Ų9682%0.82449%0.494SS*.THydrogen-bonded Turntrans6923.5179-56.10000116.8K360K360-C363 PolarHBondContact O-N 2.93Å
364A92.4Very high93.4Very high36 Ų3696.1 Ų96.130%0.29849%0.494SS..EExtended strand (participates in β ladder)trans-111.1144175.200000112.4F359 K360F359-A364 WeakPolarHBondContact CA-O 3.04Å; K360-A364 HydrophobicContact CB-CB 4.45Å; K360-A364 PolarHBondContact N-O 3.47Å
365V95.3Very high93.4Very high93 Ų9393.6 Ų93.656%0.56449%0.487SS*.EExtended strand (participates in β ladder)trans-113.8121.4166.7177.60000108.1C357 F359C357-V365 HydrophobicContact CB-CG1 3.99Å; F359-V365 HydrophobicContact CD2-CG2 3.83Å
366E95.4Very high93.5Very high101 Ų10194.9 Ų94.947%0.47249%0.492SS..EExtended strand (participates in β ladder)trans-108.7121.6173.7-75.4175.6-160.800109.6C357 K358 K360C357-E366 CarbonylContact C-O 3.56Å; C357-E366 WeakPolarHBondContact CA-O 3.35Å; K358-E366 PolarHBondContact N-O 3.34Å; K358-E366 PolarHBondContact O-N 3.38Å; K360-E366 WeakPolarHBondContact CD-OE1 3.43Å; K360-E366 VanDerWaalsContact CE-OE1 3.27Å; K360-E366 WeakPolarHBondContact CE-OE1 3.42Å; K360-E366 WeakPolarHBondContact CE-OE2 3.17Å; K360-E366 IonicContact NZ-OE1 2.67Å; K360-E366 PolarHBondContact NZ-OE1 3.37Å; K360-E366 IonicContact NZ-OE2 2.72Å; K360-E366 PolarHBondContact NZ-OE2 3.05Å
367C97Very high93.6Very high44 Ų4490.8 Ų90.830%0.29747%0.473SS..EExtended strand (participates in β ladder)trans-115.2147.2175-520000109.3K354 C355 C357K354-C367 HydrophobicContact CB-CB 3.95Å; K354-C367 HydrophobicContact CD-CB 4.14Å; K354-C367 HydrophobicContact CG-CB 4.47Å; C355-C367 WeakPolarHBondContact O-CA 3.3Å; C355-C367 WeakPolarHBondContact O-CB 3.08Å; C357-C367 HydrophobicContact CB-CB 4.08Å; C357-C367 WeakPolarHBondContact CB-SG 3.5Å; C357-C367 WeakPolarHBondContact SG-CB 3.3Å; C357-C367 CovalentContact SG-SG 2.04Å; C357-C367 PolarHBondContact SG-SG 3.15Å
368K96.9Very high93.6Very high114 Ų11489.2 Ų89.250%0.49646%0.461SS..EExtended strand (participates in β ladder)trans-75.7161.1163.2-66.6178.8-176.9170.50109.9K354 C355 E356K354-K368 WeakPolarHBondContact CA-O 3.14Å; C355-K368 PolarHBondContact N-O 3.29Å; C355-K368 PolarHBondContact O-N 2.94Å; E356-K368 HydrophobicContact CB-CD 4.22Å; E356-K368 HydrophobicContact CB-CG 4.45Å; E356-K368 HydrophobicContact CG-CD 4.4Å; E356-K368 IonicContact OE1-NZ 2.84Å; E356-K368 PolarHBondContact OE1-NZ 2.8Å; E356-K368 VanDerWaalsContact OE2-CE 3.24Å; E356-K368 WeakPolarHBondContact OE2-CE 3.03Å; E356-K368 IonicContact OE2-NZ 2.78Å; E356-K368 PolarHBondContact OE2-NZ 3.01Å
369D96.8Very high93.7Very high97 Ų9782.7 Ų82.752%0.51943%0.433SS..EExtended strand (participates in β ladder)trans-90.3125159.1-73.4-66.2000108.6I352 K354I352-D369 HydrophobicContact CG2-CB 3.69Å; I352-D369 WeakPolarHBondContact CG2-OD1 3.49Å; K354-D369 WeakPolarHBondContact CD-OD1 3.04Å; K354-D369 WeakPolarHBondContact CE-OD1 3.27Å; K354-D369 IonicContact NZ-OD1 2.74Å; K354-D369 PolarHBondContact NZ-OD1 3.45Å; K354-D369 IonicContact NZ-OD2 2.68Å; K354-D369 PolarHBondContact NZ-OD2 3.31Å
370C96Very high93.8Very high47 Ų4780.5 Ų80.532%0.31842%0.423SS..EExtended strand (participates in β ladder)trans-110.2140.5170.1-74.60000109.1I352 T353 C355I352-C370 CarbonylContact C-O 3.5Å; I352-C370 WeakPolarHBondContact CA-O 3.49Å; T353-C370 PolarHBondContact N-O 3.37Å; T353-C370 PolarHBondContact O-N 3.08Å; C355-C370 HydrophobicContact CB-CB 3.69Å; C355-C370 WeakPolarHBondContact CB-SG 3.47Å; C355-C370 WeakPolarHBondContact SG-CB 3.42Å; C355-C370 PolarHBondContact SG-N 3.45Å; C355-C370 VanDerWaalsContact SG-N 3.39Å; C355-C370 CovalentContact SG-SG 2.02Å; C355-C370 PolarHBondContact SG-SG 3.42Å
371E95.7Very high93.7Very high137 Ų13779 Ų7964%0.6443%0.43SS*.EExtended strand (participates in β ladder)trans-95.8126.3171.5-52.2-166.6168.500110.2M350 I352M350-E371 HydrophobicContact CE-CB 3.61Å; I352-E371 HydrophobicContact CG1-CG 4.41Å
372E94.4Very high93.9Very high112 Ų11270.5 Ų70.552%0.52341%0.405SS..EExtended strand (participates in β ladder)trans-121.4132.1179.4-169.9177.8-179.500110.9Q351 V374Q351-E372 PolarHBondContact N-O 2.98Å; Q351-E372 PolarHBondContact O-N 2.87Å; E372-V374 HydrophobicContact CB-CG2 4.2Å; E372-V374 HydrophobicContact CG-CG2 3.89Å; E372-V374 PolarHBondContact O-N 2.91Å
373A94.1Very high93.9Very high36 Ų3675.4 Ų75.430%0.29842%0.416SS..EExtended strand (participates in β ladder)trans-88.578.9-176.700000111.8R348 V349 M350R348-A373 HydrophobicContact CG-CB 4.47Å; R348-A373 PolarHBondContact NE-O 3.37Å; R348-A373 PolarHBondContact NH2-O 3.45Å; V349-A373 CarbonylContact O-C 3.5Å; M350-A373 HydrophobicContact CE-CB 4.32Å; M350-A373 HydrophobicContact SD-CB 3.68Å
374V94.5Very high92.9Very high44 Ų4477.7 Ų77.727%0.26741%0.407SS..EExtended strand (participates in β ladder)trans-87.6135.4-172.6-175.90000111.9R348 V349 Q351 E372R348-V374 WeakPolarHBondContact CA-O 3.35Å; V349-V374 PolarHBondContact N-O 3.3Å; V349-V374 PolarHBondContact O-N 3.28Å; Q351-V374 HydrophobicContact CB-CG2 4.28Å; E372-V374 HydrophobicContact CB-CG2 4.2Å; E372-V374 HydrophobicContact CG-CG2 3.89Å; E372-V374 PolarHBondContact O-N 2.91Å
375D95.1Very high91.1Very high79 Ų7979.7 Ų79.742%0.42242%0.423SS..EExtended strand (participates in β ladder)trans-84.1114.1172.3-77.1-3.8000110.8T346 R348T346-D375 HydrophobicContact CG2-CB 3.97Å; R348-D375 WeakPolarHBondContact CB-OD1 3.24Å; R348-D375 WeakPolarHBondContact CD-OD1 3.47Å; R348-D375 VanDerWaalsContact CG-OD1 3.25Å; R348-D375 WeakPolarHBondContact CG-OD1 3.5Å; R348-D375 IonicContact NE-OD1 3.44Å
376I96Very high89Confident50 Ų5081.6 Ų81.626%0.25643%0.426SS..EExtended strand (participates in β ladder)trans-95.3126.3172-64.1-178000109.5V324 T346 T347 V349V324-I376 HydrophobicContact CG1-CG2 4.12Å; V324-I376 HydrophobicContact CG2-CG2 3.97Å; T346-I376 WeakPolarHBondContact CA-O 3.49Å; T347-I376 PolarHBondContact N-O 3.39Å; T347-I376 PolarHBondContact O-N 2.88Å; T347-I376 PolarHBondContact OG1-O 3.14Å; V349-I376 HydrophobicContact CG2-CD1 3.57Å; V349-I376 HydrophobicContact CG2-CG1 3.94Å
377H97.3Very high86.7Confident22 Ų2286.5 Ų86.510%0.10244%0.44CS..EExtended strand (participates in β ladder)trans-99.9127.4175.6-51.7-59.6000110.7V324 C325 K327 Y344 D345 T346V324-H377 CarbonylContact C-O 3.47Å; V324-H377 VanDerWaalsContact CA-O 3.3Å; V324-H377 WeakPolarHBondContact CA-O 3.48Å; C325-H377 PolarHBondContact N-O 2.99Å; K327-H377 WeakPolarHBondContact CB-CD2 3.47Å; K327-H377 VanDerWaalsContact CB-NE2 3.34Å; K327-H377 WeakPolarHBondContact CB-NE2 3.32Å; Y344-H377 HydrophobicContact CD2-CB 3.71Å; Y344-H377 AromaticContact CD2-CG 3.97Å; Y344-H377 AromaticContact CD2-ND1 3.87Å; Y344-H377 HydrophobicContact CE2-CB 4.19Å; Y344-H377 AromaticContact CE2-CG 3.97Å; Y344-H377 AromaticContact CE2-ND1 3.66Å; Y344-H377 HydrophobicContact CG-CB 4.33Å; D345-H377 CarbonylContact O-C 3.58Å; D345-H377 WeakPolarHBondContact O-CA 3.26Å; T346-H377 WeakPolarHBondContact CG2-ND1 3.29Å; T346-H377 PolarHBondContact OG1-ND1 3.36Å
378T97Very high84.4Confident36 Ų3690.7 Ų90.722%0.22146%0.459CS..EExtended strand (participates in β ladder)trans-127.2128.6-174.2-60.30000111.5G322 R323 Y344 D345 K380G322-T378 VanDerWaalsContact C-CG2 3.47Å; R323-T378 CarbonylContact O-C 3.6Å; R323-T378 WeakPolarHBondContact O-CA 3Å; Y344-T378 CarbonylContact C-O 3.5Å; Y344-T378 WeakPolarHBondContact CA-O 3.43Å; Y344-T378 VanDerWaalsContact CB-O 3.3Å; Y344-T378 WeakPolarHBondContact CB-O 3.5Å; D345-T378 PolarHBondContact N-O 3.13Å; D345-T378 PolarHBondContact O-N 3.39Å; T378-K380 PolarHBondContact O-N 3.32Å
379C96.9Very high81.9Confident4 Ų492.4 Ų92.43%0.02747%0.474CS..EExtended strand (participates in β ladder)trans-64.7131.1-174.8-69.40000114T320 G322 R323 M338 C339T320-C379 WeakPolarHBondContact O-CB 3.49Å; G322-C379 PolarHBondContact N-O 2.9Å; R323-C379 PolarHBondContact O-N 2.84Å; M338-C379 VanDerWaalsContact CG-SG 3.59Å; C339-C379 WeakPolarHBondContact CA-SG 3.35Å; C339-C379 HydrophobicContact CB-CB 3.59Å; C339-C379 WeakPolarHBondContact CB-SG 3.44Å; C339-C379 PolarHBondContact N-SG 2.88Å; C339-C379 VanDerWaalsContact N-SG 3.38Å; C339-C379 WeakPolarHBondContact SG-CA 3.43Å; C339-C379 WeakPolarHBondContact SG-CB 3.29Å; C339-C379 CovalentContact SG-SG 2.04Å; C339-C379 PolarHBondContact SG-SG 3.1Å
380K96Very high79.3Confident75 Ų7596.6 Ų96.633%0.32649%0.487SS..PPolyproline II helixtrans-63151.1-179.2-82.9171.1166.5147.70113.3R342 G343 Y344 D345 T378R342-K380 HydrophobicContact CB-CB 4.41Å; R342-K380 VanDerWaalsContact CZ-O 3.3Å; R342-K380 PolarHBondContact NE-O 3.31Å; R342-K380 PolarHBondContact NH2-O 2.83Å; G343-K380 WeakPolarHBondContact O-CB 3.31Å; G343-K380 PolarHBondContact O-N 3.08Å; Y344-K380 WeakPolarHBondContact O-CE 3.43Å; Y344-K380 PolarHBondContact O-NZ 3.05Å; D345-K380 WeakPolarHBondContact OD1-CE 3.42Å; D345-K380 IonicContact OD1-NZ 3.9Å; D345-K380 PolarHBondContact OD1-NZ 3.2Å; D345-K380 WeakPolarHBondContact OD2-CE 3.27Å; D345-K380 WeakPolarHBondContact OD2-CG 3.33Å; T378-K380 PolarHBondContact O-N 3.32Å
381A91.8Very high76.7Confident68 Ų68103.9 Ų103.956%0.56253%0.531SS*.PPolyproline II helixtrans-65157.6168.400000111.3A321A321-A381 HydrophobicContact CB-CB 4.41Å
382P86.7Confident75.7Confident65 Ų65102.3 Ų102.342%0.42253%0.525SS..PPolyproline II helixtrans-60137.5166.5-19.433000110.5L310 R384L310-P382 HydrophobicContact CD2-CB 4.11Å; L310-P382 HydrophobicContact CD2-CG 3.68Å; P382-R384 PolarHBondContact O-N 3.33Å
383K78.8Confident74.7Confident202 Ų202101.7 Ų101.788%0.87853%0.525SS*.PPolyproline II helixtrans-61.1132.5163.6-65.3-174.2178.4-174.80107.8
384R66.6Low73.7Confident170 Ų170105.4 Ų105.464%0.64254%0.538SS*.PPolyproline II helixtrans-69.3146.6173-62.7-169.9-172.7179.81.6109.8P382 E386 W387P382-R384 PolarHBondContact O-N 3.33Å; R384-E386 HydrophobicContact CB-CB 4.43Å; R384-E386 WeakPolarHBondContact CD-OE2 3.33Å; R384-E386 IonicContact CZ-OE2 3.52Å; R384-E386 IonicContact NE-OE2 3.42Å; R384-E386 IonicContact NH1-OE2 2.71Å; R384-E386 PolarHBondContact NH1-OE2 2.95Å; R384-E386 PolarHBondContact O-N 3.4Å; R384-W387 PolarHBondContact O-N 3.36Å
385A55.8Low72.4Confident77 Ų77109 Ų10964%0.63655%0.554SS**G310 helixtrans-59.1-27.817600000113W387 L388A385-W387 PolarHBondContact O-N 2.96Å; A385-L388 PolarHBondContact O-N 2.88Å; A385-L388 VanDerWaalsContact O-N 3.07Å
386E49.9Very low71Confident133 Ų133110.9 Ų110.962%0.62156%0.562SS**G310 helixtrans-56.1-8.8175.3-57.2174.2120.400115R384R384-E386 HydrophobicContact CB-CB 4.43Å; R384-E386 WeakPolarHBondContact CD-OE2 3.33Å; R384-E386 IonicContact CZ-OE2 3.52Å; R384-E386 IonicContact NE-OE2 3.42Å; R384-E386 IonicContact NH1-OE2 2.71Å; R384-E386 PolarHBondContact NH1-OE2 2.95Å; R384-E386 PolarHBondContact O-N 3.4Å
387W48.2Very low69.4Low204 Ų204114.9 Ų114.977%0.77358%0.583SS**G310 helixtrans-110.916.3179.4-69.186000114.1R384 A385R384-W387 PolarHBondContact O-N 3.36Å; A385-W387 PolarHBondContact O-N 2.96Å
388L47.7Very low67.4Low133 Ų133121.6 Ų121.670%0.69662%0.617SS**SBendtrans-99.9-22.9174.6-76.5164.3000113.8A385A385-L388 PolarHBondContact O-N 2.88Å; A385-L388 VanDerWaalsContact O-N 3.07Å
389D43.8Very low65.1Low149 Ų149128.2 Ų128.280%0.79765%0.648SS**SBendtrans-102.942.1-175.6-56.7-37.2000113.1
390K42.7Very low62.4Low185 Ų185138.5 Ų138.580%0.80470%0.699SS**  trans-141.245.3176.9-77.9-159.1173.1-1740114.6
391T41.2Very low59.4Low201 Ų201144.3 Ų144.3100%1.23373%0.733SS**  trans-145.70159.1510000108.4

Retrieved 391 of 391 residues in 652.8 ms (Link to these results)