A0A087XBC5_POEFO Loading...

Cilia- and flagella-associated protein 418

May be involved in photoreceptor outer segment disk morphogenesis.

AlphaFold DB , UniProt , Accession A0A087XBC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 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
1M49.3Very low72.8Confident221 Ų221124.1 Ų124.1100%1.08964%0.643SS**  075.50-70.5-72.3-175.400102.5
2D57.9Low73.8Confident110 Ų110121.6 Ų121.659%0.58863%0.626SS**  trans-96.7133-157.6-58.4-86.1000106.1D4 D5D2-D4 PolarHBondContact O-N 2.82Å; D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.14Å
3D62.7Low74.4Confident141 Ų141118.5 Ų118.575%0.75462%0.616SS**THydrogen-bonded Turntrans-58.2-18.4-172.5-64.2-70.9000112.8D5 L6D3-D5 VanDerWaalsContact C-N 3.32Å; D3-D5 PolarHBondContact O-N 2.87Å; D3-L6 PolarHBondContact O-N 2.81Å
4D67.1Low74.9Confident128 Ų128118.5 Ų118.568%0.68461%0.612SS**Hα-helixtrans-63.2-29.2177-63.4-55.3000114D2 L6D2-D4 PolarHBondContact O-N 2.82Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 2.79Å
5D75.6Confident75.3Confident105 Ų105121.5 Ų121.556%0.56162%0.618SS**Hα-helixtrans-70.9-24178.9-73.2-18.7000112.2D2 D3 L9D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.14Å; D3-D5 VanDerWaalsContact C-N 3.32Å; D3-D5 PolarHBondContact O-N 2.87Å; D5-L9 WeakPolarHBondContact O-CG 3.32Å
6L77.9Confident75.5Confident108 Ų108122.6 Ų122.657%0.56562%0.618SS**Hα-helixtrans-79-36.1-177.8-174.163.1000111.7D3 D4 L9 L10D3-L6 PolarHBondContact O-N 2.81Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 2.79Å; L6-L9 PolarHBondContact O-N 3.12Å; L6-L10 PolarHBondContact O-N 3.01Å
7D80.5Confident75.6Confident95 Ų95124.7 Ų124.751%0.50862%0.622SS.*Hα-helixtrans-68.7-38.8179.6-71.7-24.3000111.2L9 L10 D11D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 2.57Å; D7-L10 PolarHBondContact O-N 2.95Å; D7-L10 VanDerWaalsContact O-N 3.14Å; D7-D11 PolarHBondContact O-N 3.08Å
8E83.2Confident74.9Confident140 Ų140121.3 Ų121.365%0.65461%0.611SS**Hα-helixtrans-63.1-36.3176.1-173.1165.9-161.500112.1E12E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.13Å
9L81.4Confident74.1Confident106 Ų106119.8 Ų119.856%0.55561%0.614SS**Hα-helixtrans-70-32.1175.5-68.8173000112.6D5 L6 D7 V13D5-L9 WeakPolarHBondContact O-CG 3.32Å; L6-L9 PolarHBondContact O-N 3.12Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 2.57Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.29Å
10L83.1Confident73.3Confident102 Ų102124.4 Ų124.453%0.53463%0.629SS.*Hα-helixtrans-71.8-42.9176.5-77.4165.4000111.7L6 D7 E12 V13 E14L6-L10 PolarHBondContact O-N 3.01Å; D7-L10 PolarHBondContact O-N 2.95Å; D7-L10 VanDerWaalsContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 2.85Å; L10-E14 PolarHBondContact O-N 3.28Å
11D82.1Confident72.4Confident109 Ų109122.6 Ų122.658%0.58363%0.633SS**Hα-helixtrans-61-39174.9-82.3-8.4000111.8D7 V13 E14 K15D7-D11 PolarHBondContact O-N 3.08Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 3.33Å; D11-E14 PolarHBondContact O-N 3.4Å; D11-K15 WeakPolarHBondContact O-CB 3.06Å; D11-K15 PolarHBondContact O-N 3.38Å
12E85.1Confident72.3Confident94 Ų94117.6 Ų117.644%0.43962%0.619SS.*Hα-helixtrans-63.2-40.4177.7-164.9-173.315000111.9E8 L10 K16E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.13Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.45Å; E12-K16 HydrophobicContact CG-CD 4.37Å; E12-K16 WeakPolarHBondContact O-CB 3.17Å; E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.19Å; E12-K16 IonicContact OE1-NZ 2.64Å; E12-K16 PolarHBondContact OE1-NZ 3.19Å
13V81.7Confident72Confident82 Ų82117.4 Ų117.450%0.49763%0.633SS.*Hα-helixtrans-70.2-43.4177173.70000110.9L9 L10 D11 K15 K16 F17L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.29Å; L10-V13 PolarHBondContact O-N 2.85Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 3.33Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.22Å; V13-K16 PolarHBondContact O-N 3Å; V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 3.14Å
14E81.3Confident71.2Confident118 Ų118115 Ų11555%0.55163%0.634SS**Hα-helixtrans-60.6-42.8176.9-171.2171.6-177.100110.9L10 D11 K16 F17 C18L10-E14 PolarHBondContact O-N 3.28Å; D11-E14 PolarHBondContact O-N 3.4Å; E14-K16 PolarHBondContact O-N 3.03Å; E14-F17 PolarHBondContact O-N 3.15Å; E14-C18 HydrophobicContact CG-CB 3.71Å; E14-C18 WeakPolarHBondContact O-CA 3.43Å; E14-C18 WeakPolarHBondContact O-CB 3.39Å; E14-C18 PolarHBondContact O-N 2.76Å
15K80.4Confident69.8Low164 Ų164114.2 Ų114.271%0.71364%0.638SS**Hα-helixtrans-65.9-38.1177.5-163.4172.2-171.1174.60112.7D11 V13 S19D11-K15 WeakPolarHBondContact O-CB 3.06Å; D11-K15 PolarHBondContact O-N 3.38Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.22Å; K15-S19 PolarHBondContact O-OG 3.21Å
16K78.7Confident68.1Low139 Ų139115.1 Ų115.160%0.60465%0.652SS**Hα-helixtrans-70.9-33.8178.2-82.9173.9172.5169.10113.3E12 V13 E14E12-K16 HydrophobicContact CG-CD 4.37Å; E12-K16 WeakPolarHBondContact O-CB 3.17Å; E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.19Å; E12-K16 IonicContact OE1-NZ 2.64Å; E12-K16 PolarHBondContact OE1-NZ 3.19Å; V13-K16 PolarHBondContact O-N 3Å; E14-K16 PolarHBondContact O-N 3.03Å
17F77.3Confident66.1Low158 Ų158113.1 Ų113.169%0.69366%0.657SS**Hα-helixtrans-116.3-31.9-169.8-69.3-85.4000115V13 E14V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 3.14Å; E14-F17 PolarHBondContact O-N 3.15Å
18C62.8Low64Low63 Ų63115.8 Ų115.843%0.42668%0.677SS.*G310 helixtrans-88.5-14.6-176.2-67.40000114.5E14 K20 A21E14-C18 HydrophobicContact CG-CB 3.71Å; E14-C18 WeakPolarHBondContact O-CA 3.43Å; E14-C18 WeakPolarHBondContact O-CB 3.39Å; E14-C18 PolarHBondContact O-N 2.76Å; C18-K20 PolarHBondContact O-N 3.04Å; C18-A21 PolarHBondContact O-N 2.8Å; C18-A21 VanDerWaalsContact O-N 3.12Å
19S60.3Low61.9Low94 Ų94120.4 Ų120.466%0.65769%0.688SS**G310 helixtrans-61.6-10.9177.6-600000114.6K15K15-S19 PolarHBondContact O-OG 3.21Å
20K58.5Low59.7Low211 Ų211127.3 Ų127.392%0.91771%0.707SS**G310 helixtrans-98.8-0.3178.2-89.5172.6177.2169.10115.1C18C18-K20 PolarHBondContact O-N 3.04Å
21A54.1Low57.5Low87 Ų87128.2 Ų128.272%0.71972%0.722SS**THydrogen-bonded Turntrans-112.3-6.4-177.600000115.2C18 A23C18-A21 PolarHBondContact O-N 2.8Å; C18-A21 VanDerWaalsContact O-N 3.12Å; A21-A23 PolarHBondContact O-N 2.85Å
22S46.8Very low55.2Low115 Ų115132.7 Ų132.780%0.80474%0.736SS**  trans-105.770.1-176.7-66.10000112.5
23A50.9Low52.8Low106 Ų106134.7 Ų134.788%0.87675%0.75SS**SBendtrans-125.125.6164.600000112.7A21A21-A23 PolarHBondContact O-N 2.85Å
24A46.3Very low50.5Low92 Ų92139.1 Ų139.176%0.7677%0.765SS**SBendtrans-151.772.417400000113.1
25S38.3Very low48.1Very low110 Ų110139.9 Ų139.977%0.76977%0.773SS**SBendtrans166.6126.1135.456.50000112.3
26S39.6Very low45.9Very low125 Ų125141.6 Ų141.687%0.87478%0.781SS**  trans54.9129.3161.2610000117.6
27G35.9Very low43.7Very low65 Ų65143.4 Ų143.467%0.6779%0.791SS**  cis158.817015.100000106.6
28V36.7Very low41.8Very low152 Ų152144.7 Ų144.792%0.92180%0.799SS**  trans85.7127.8168.3-168.10000117
29R38.2Very low40.3Very low236 Ų236151 Ų15189%0.89182%0.82SS**  trans-78.6145.1-176.9-57.2170.1171.7-171.8-4.9111.3
30R35.4Very low38.9Very low252 Ų252157.8 Ų157.895%0.95183%0.831SS**  -174.9132126.1-103.5172.9-178.7-170.90.8111.3
31S36.2Very low37.7Very low120 Ų120151.4 Ų151.484%0.83981%0.813SS**  trans-71.6148.5-178.6-47.40000113.7
32K34.8Very low36.9Very low203 Ų203152.5 Ų152.588%0.88382%0.822SS**  -161.2128.4125.6-160.6166.4-179.9178.30110.4
33D34.1Very low36.4Very low137 Ų137151.6 Ų151.673%0.73382%0.821SS**  trans-39.7157.9166.1-73.9-81.1000113.9
34E33.7Very low35.7Very low174 Ų174154.7 Ų154.781%0.81382%0.815SS**  cis-172.9135.548.4-142.6161.7157.300111.1
35N30.8Very low35Very low135 Ų135156.4 Ų156.472%0.72282%0.82SS**  trans35.3111.1141.2-161.920.5000121.7
36K35.2Very low35Very low200 Ų200157.3 Ų157.387%0.8781%0.812SS**  -157.6118.5128-128.2176.7-179.9-175.30112.8
37Q31.5Very low35Very low177 Ų177156.7 Ų156.783%0.82781%0.805SS**  trans-81.2115.1177.8171.9-179.8-56.500110.8
38E37Very low35Very low185 Ų185162.1 Ų162.186%0.86481%0.812SS**  trans-140.2103.1159.8-70.5-163.4137.200112.9
39K32.7Very low35.7Very low196 Ų196164.3 Ų164.385%0.85281%0.81SS**  trans-30.6122.5154.3176.2-175.7177.5-178.90115.7
40W29.4Very low35.9Very low236 Ų236157.1 Ų157.189%0.89480%0.796SS**  trans-157.2103142.5-163.8-97.1000113.3
41S34.2Very low36.6Very low77 Ų77148.8 Ų148.854%0.53878%0.776SS.*  trans54.2113.6132-41.60000121A43S41-A43 PolarHBondContact O-N 3.43Å
42A37.3Very low37.5Very low109 Ų109147.1 Ų147.190%0.90176%0.761SS**  trans-55.6115.1159.900000111.7
43A37.1Very low38.4Very low96 Ų96141.1 Ų141.179%0.79374%0.744SS**  trans-95.7114.6162.800000108.7S41S41-A43 PolarHBondContact O-N 3.43Å
44K35Very low39.4Very low171 Ų171141 Ų14174%0.74374%0.739SS**  trans-68120.2173.7-148.6-176.1-168.5-140.60108.2E46K44-E46 WeakPolarHBondContact CE-OE1 3.48Å; K44-E46 IonicContact NZ-OE1 2.59Å; K44-E46 PolarHBondContact NZ-OE1 2.63Å
45C31.5Very low41.1Very low128 Ų128137.4 Ų137.487%0.86573%0.726SS**  trans-111.297.2162.8-73.80000107.9
46E39.4Very low43.4Very low129 Ų129135.7 Ų135.760%0.60372%0.715SS**  trans-61.9147.4167.4-67.4-79.8152.400110K44 H48K44-E46 WeakPolarHBondContact CE-OE1 3.48Å; K44-E46 IonicContact NZ-OE1 2.59Å; K44-E46 PolarHBondContact NZ-OE1 2.63Å; E46-H48 PolarHBondContact O-N 3.4Å
47P39.3Very low45.3Very low112 Ų112131.1 Ų131.173%0.72770%0.7SS**  trans-76.6110.9174.630.1-29.3000109.7K49P47-K49 PolarHBondContact O-N 2.71Å; P47-K49 VanDerWaalsContact O-N 3.09Å
48H36.6Very low47.6Very low179 Ų179125.7 Ų125.783%0.82969%0.685SS**  trans-71.7101171.7-141.8-93.6000108.8E46 S50E46-H48 PolarHBondContact O-N 3.4Å; H48-S50 PolarHBondContact O-N 3.06Å; H48-S50 VanDerWaalsContact O-N 3.13Å
49K49.9Very low49.5Very low199 Ų199122 Ų12287%0.86567%0.671SS**  trans-71.494.3165.4-75.7177.2176.3178.40108.1P47P47-K49 PolarHBondContact O-N 2.71Å; P47-K49 VanDerWaalsContact O-N 3.09Å
50S43.1Very low51.6Low85 Ų85117 Ų11759%0.59465%0.653SS**  trans-98.4104.5163.756.10000109.1H48 V52H48-S50 PolarHBondContact O-N 3.06Å; H48-S50 VanDerWaalsContact O-N 3.13Å; S50-V52 PolarHBondContact O-N 3.34Å
51S50.3Low53.9Low77 Ų77111.6 Ų111.654%0.53864%0.638SS.*  trans-42.790.9158.1161.30000111.7
52V55.3Low55.7Low85 Ų85114.6 Ų114.652%0.51564%0.643SS.*  trans-134.1-4171.1-178.60000111S50 I56S50-V52 PolarHBondContact O-N 3.34Å; V52-I56 WeakPolarHBondContact O-CD1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å
53S53.2Low57Low77 Ų77116.4 Ų116.454%0.53864%0.637SS.*SBendtrans-81-34176.951.20000112.8D55 I56S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 3.13Å; S53-I56 PolarHBondContact O-N 2.99Å
54E55.8Low58Low134 Ų134118.1 Ų118.163%0.62663%0.633SS**Hα-helixtrans-70.3-27.7-176.5-73.1150.2-168.200112.4
55D68.8Low59.2Low99 Ų99117 Ų11753%0.52963%0.63SS.*Hα-helixtrans-77.2-22.4177.2-58.8-39.7000112.9S53 L59S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 3.13Å; D55-L59 WeakPolarHBondContact O-CG 3.44Å; D55-L59 PolarHBondContact O-N 3.2Å
56I78.4Confident60.2Low98 Ų98117.7 Ų117.750%0.50363%0.625SS.*Hα-helixtrans-77.4-41.2-180-63.2170.4000110.2V52 S53 A58 L59 L60V52-I56 WeakPolarHBondContact O-CD1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; S53-I56 PolarHBondContact O-N 2.99Å; I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 2.65Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-L60 HydrophobicContact CG2-CD1 4.29Å; I56-L60 PolarHBondContact O-N 2.82Å; I56-L60 VanDerWaalsContact O-N 3.16Å
57D75.9Confident61Low105 Ų105119.4 Ų119.456%0.56164%0.638SS**Hα-helixtrans-67.2-35.5179.4-66.2-32.4000111.1L59 L60 E61D57-L59 PolarHBondContact O-N 3.02Å; D57-L60 PolarHBondContact O-N 3.33Å; D57-E61 PolarHBondContact O-N 3.04Å
58A78.9Confident61.5Low62 Ų62124.4 Ų124.451%0.51264%0.644SS.*Hα-helixtrans-64.6-37174.700000113.4I56 L60 E62I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 2.65Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-E62 PolarHBondContact O-N 2.96Å
59L77.1Confident62Low107 Ų107121.4 Ų121.456%0.5663%0.634SS**Hα-helixtrans-73.8-24.2175.7-70.4171.6000113.1D55 I56 D57D55-L59 WeakPolarHBondContact O-CG 3.44Å; D55-L59 PolarHBondContact O-N 3.2Å; I56-L59 PolarHBondContact O-N 2.84Å; D57-L59 PolarHBondContact O-N 3.02Å
60L77.3Confident61.4Low92 Ų92117.6 Ų117.648%0.48263%0.633SS.*Hα-helixtrans-73.2-39.2175.9-88.5160.5000111.9I56 D57 A58 L63 L64I56-L60 HydrophobicContact CG2-CD1 4.29Å; I56-L60 PolarHBondContact O-N 2.82Å; I56-L60 VanDerWaalsContact O-N 3.16Å; D57-L60 PolarHBondContact O-N 3.33Å; A58-L60 VanDerWaalsContact C-N 3.34Å; L60-L63 PolarHBondContact O-N 3.31Å; L60-L64 WeakPolarHBondContact O-CD1 3.16Å; L60-L64 PolarHBondContact O-N 2.91Å
61E77.8Confident61.5Low123 Ų123118.3 Ų118.358%0.57564%0.638SS**Hα-helixtrans-66.1-39177.8-152.288.1-121.700111.2D57 L63 L64 E65D57-E61 PolarHBondContact O-N 3.04Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.45Å; E61-L64 PolarHBondContact O-N 3.07Å; E61-E65 PolarHBondContact O-N 3.08Å
62E71.6Confident61.1Low139 Ų139120.5 Ų120.565%0.6565%0.65SS**Hα-helixtrans-63.5-33.9178-170.3176.7102.600113.1A58A58-E62 PolarHBondContact O-N 2.96Å
63L64Low60.5Low148 Ų148125.3 Ų125.378%0.77567%0.667SS**Hα-helixtrans-79.4-16.3177.4-76.2169.3000114L60 E61L60-L63 PolarHBondContact O-N 3.31Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.45Å
64L59.7Low59.8Low132 Ų132127.6 Ų127.669%0.69168%0.683SS**Hα-helixtrans-93.5-16.6-178-80159.1000113.1L60 E61L60-L64 WeakPolarHBondContact O-CD1 3.16Å; L60-L64 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.07Å
65E58.6Low58.9Low147 Ų147131.4 Ų131.469%0.68770%0.698SS**SBendtrans-88.7-0.4-175.7-78.1-178.6161.700115.1E61E61-E65 PolarHBondContact O-N 3.08Å
66D53.7Low57.2Low143 Ų143130 Ų13077%0.76571%0.706SS**SBendtrans-104.419.5-174-93.5-25.9000116.7
67D56.1Low55.1Low165 Ų165134.7 Ų134.788%0.88273%0.726SS**  trans-148.170.8171.2-100.9-37.3000113.5
68Y48.9Very low53.4Low216 Ų216137.9 Ų137.985%0.84774%0.737SS**  trans-152.599.2152.8-162.6-108.3000114.6
69D46.9Very low50.9Low116 Ų116143.9 Ų143.962%0.6275%0.752SS**  trans44.4115.4143-158.816.8000120.8
70S37.7Very low48.9Very low120 Ų120143.6 Ų143.684%0.83976%0.759SS**  trans-155.1111.6137.5-800000112
71S45.7Very low46.7Very low100 Ų100148.4 Ų148.470%0.69978%0.776SS**  trans-62.8153.4161.3-171.10000112.1
72P41.2Very low45Very low123 Ų123153.1 Ų153.180%0.79979%0.788SS**  -145163.8105.230.5-10.9000116.5
73Q43.8Very low43.2Very low186 Ų186155.7 Ų155.787%0.86980%0.801SS**  trans-52.1144.4-175.2-62.7162.4-83.300117.2
74S37.3Very low41.9Very low124 Ų124156.7 Ų156.787%0.86780%0.801SS**  trans-152.7140138.361.90000112.7
75K38.3Very low40.4Very low215 Ų215154.6 Ų154.694%0.93580%0.803SS**  trans-69.9151.7-171.1-59.2164176.6173.70112.6
76G32Very low39.4Very low68 Ų68156 Ų15670%0.70181%0.809SS**  trans160.575.7161.300000117.2
77E34.3Very low38.5Very low198 Ų198157.6 Ų157.693%0.92581%0.809SS**  trans68.3146.4140.4-59.3-176.6133.300122.7
78Q39.5Very low37.7Very low171 Ų171159 Ų15980%0.79981%0.808SS**  trans-70.5151.9-165.6-67.2160.1-42.800113.6
79F27.2Very low37.4Very low189 Ų189155.3 Ų155.383%0.82980%0.802SS**  -175.5126.6104.9-113-96.2000114.3
80S36Very low37.3Very low101 Ų101154.7 Ų154.771%0.70681%0.807SS**  trans52.1121.1145.770.60000122.8
81K30.3Very low37.5Very low192 Ų192153.4 Ų153.484%0.83580%0.798SS**  124.697.4116-160.6170.9-176.9176.10115.1
82R43.1Very low37.7Very low222 Ų222156.9 Ų156.984%0.83880%0.803SS**  trans55.790138.4-162.3-176.9-148.6162.57.2116.2
83E32Very low38Very low193 Ų193153.1 Ų153.190%0.90278%0.779SS**  trans-105.5128158.7-81.4175.8125.400110.7
84Q37.1Very low38.1Very low170 Ų170149 Ų14979%0.79478%0.778SS**  trans-70.4132.4176.4-64.2-176.5600108.1E86Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.37Å
85A28.8Very low39.1Very low87 Ų87147.1 Ų147.172%0.71978%0.778SS**  trans-59.594.3168.400000109.3K87A85-K87 PolarHBondContact O-N 3.45Å
86E38.5Very low40.5Very low177 Ų177144.8 Ų144.883%0.82776%0.763SS**  trans-6589.2160.3-69.5-160.7137.300107.4Q84 K88Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.37Å; E86-K88 PolarHBondContact O-N 3.17Å
87K34.2Very low42.7Very low176 Ų176146.8 Ų146.877%0.76575%0.752SS**  trans-64.689.8166.5-68.3-179.7-179.4179.50107.4A85 L89A85-K87 PolarHBondContact O-N 3.45Å; K87-L89 PolarHBondContact O-N 3.26Å
88K39.3Very low45Very low195 Ų195137.7 Ų137.785%0.84871%0.71SS**  trans-57.286.9157.9-79.1-176.2178-178.10108.4E86E86-K88 PolarHBondContact O-N 3.17Å
89L42.7Very low46.9Very low139 Ų139133.5 Ų133.573%0.72870%0.699SS**  trans-99.465.7160.7-67.7178.5000108.3K87 S91K87-L89 PolarHBondContact O-N 3.26Å; L89-S91 PolarHBondContact O-N 3.43Å
90S44.1Very low49.5Very low103 Ų103126.1 Ų126.172%0.7267%0.67SS**  trans-79.170.1153.8-172.40000107.1Q92S90-Q92 VanDerWaalsContact C-N 3.25Å; S90-Q92 PolarHBondContact O-N 3.16Å
91S43.1Very low52Low93 Ų93122.7 Ų122.765%0.6565%0.645SS**  trans-68.195.9162.2-62.60000105.5L89 S93L89-S91 PolarHBondContact O-N 3.43Å; S91-S93 PolarHBondContact O-N 3.02Å
92Q47.9Very low54.9Low173 Ų173114.7 Ų114.781%0.80861%0.61SS**  trans-57.895.1169.2-66.3-177.827.900107.1S90 A94S90-Q92 VanDerWaalsContact C-N 3.25Å; S90-Q92 PolarHBondContact O-N 3.16Å; Q92-A94 PolarHBondContact O-N 3.15Å
93S47.9Very low57.3Low43 Ų43104.1 Ų104.130%0.30157%0.57SS.*  trans-73.280.1175.459.60000107.6S91 G95 R96 V112S91-S93 PolarHBondContact O-N 3.02Å; S93-G95 PolarHBondContact O-N 3.41Å; S93-R96 PolarHBondContact O-N 2.94Å; S93-V112 WeakPolarHBondContact OG-CG2 3.38Å
94A46.6Very low60.2Low101 Ų10195 Ų9584%0.83553%0.527SS*.THydrogen-bonded Turntrans-50.4107.7175.400000109.1Q92Q92-A94 PolarHBondContact O-N 3.15Å
95G58.5Low62.9Low84 Ų8486.9 Ų86.987%0.86649%0.49SS*.THydrogen-bonded Turntrans91.62.3171.200000118.1S93S93-G95 PolarHBondContact O-N 3.41Å
96R67.6Low66Low165 Ų16583.9 Ų83.962%0.62346%0.463SS*.  trans-99.2113.2176.6-62.3-173.1133.1-135.1-1.1111.1S93 V112S93-R96 PolarHBondContact O-N 2.94Å; R96-V112 HydrophobicContact CB-CG1 3.96Å
97K77.5Confident68.4Low111 Ų11180.4 Ų80.448%0.48346%0.459SS..  trans-95.5148.6174.459.3171.4177.8-84.60111.1C99 I198 C203K97-C99 PolarHBondContact O-N 3.31Å; K97-I198 HydrophobicContact CB-CD1 4.36Å; K97-C203 PolarHBondContact NZ-SG 3.25Å; K97-C203 VanDerWaalsContact NZ-SG 3.4Å
98C82.3Confident71Confident6 Ų673 Ų734%0.04143%0.429CS..  trans-65132.6170.3-58.60000109.6V101 V112 G113 C121 I198C98-V101 HydrophobicContact CB-CG2 4.46Å; C98-V112 VanDerWaalsContact SG-CA 3.54Å; C98-G113 VanDerWaalsContact CA-O 3.26Å; C98-G113 WeakPolarHBondContact CA-O 3.44Å; C98-G113 PolarHBondContact SG-N 3.3Å; C98-C121 HydrophobicContact CB-CB 4.23Å; C98-C121 VanDerWaalsContact SG-CB 3.58Å; C98-C121 PolarHBondContact SG-SG 3.23Å; C98-I198 HydrophobicContact CB-CD1 3.65Å; C98-I198 HydrophobicContact CB-CG1 4.22Å; C98-I198 WeakPolarHBondContact O-CD1 3.05Å
99C79.3Confident73.4Confident84 Ų8467.3 Ų67.357%0.56841%0.41SS*.SBendtrans-158.5114.4170.9-167.30000110.3K97 G113K97-C99 PolarHBondContact O-N 3.31Å; C99-G113 PolarHBondContact N-O 3.15Å; C99-G113 VanDerWaalsContact N-O 3.07Å
100P82.3Confident75.5Confident34 Ų3463.4 Ų63.422%0.22139%0.39CS..SBendcis-69.1168.9-7.828.8-32.5000112.8F102P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CZ 4.43Å; P100-F102 HydrophobicContact CG-CE1 4.35Å; P100-F102 HydrophobicContact CG-CE2 3.6Å; P100-F102 HydrophobicContact CG-CZ 3.49Å; P100-F102 VanDerWaalsContact CG-CZ 3.49Å
101V89.6Confident77.5Confident28 Ų2859.1 Ų59.117%0.1736%0.362CS..  trans-91.6119.4-177.5-168.30000109.3C98 C121 L124 L188 I198C98-V101 HydrophobicContact CB-CG2 4.46Å; V101-C121 HydrophobicContact CG1-CB 3.88Å; V101-L124 HydrophobicContact CG1-CD2 3.58Å; V101-L188 HydrophobicContact CB-CB 4.17Å; V101-L188 HydrophobicContact CB-CD2 4.26Å; V101-L188 HydrophobicContact CG1-CB 4.31Å; V101-L188 HydrophobicContact CG1-CD2 3.86Å; V101-L188 WeakPolarHBondContact O-CB 3.28Å; V101-L188 PolarHBondContact O-N 2.82Å; V101-I198 HydrophobicContact CG1-CG1 4.27Å; V101-I198 HydrophobicContact CG2-CD1 3.53Å; V101-I198 HydrophobicContact CG2-CG1 3.83Å
102F91Very high79.4Confident25 Ų2556 Ų5611%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-110.6144.6176.8-60.5-77.3000111.3P100 K118 S120 C121 T185 T186 D187P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CZ 4.43Å; P100-F102 HydrophobicContact CG-CE1 4.35Å; P100-F102 HydrophobicContact CG-CE2 3.6Å; P100-F102 HydrophobicContact CG-CZ 3.49Å; P100-F102 VanDerWaalsContact CG-CZ 3.49Å; F102-K118 HydrophobicContact CE2-CG 4.21Å; F102-K118 HydrophobicContact CZ-CG 4.3Å; F102-S120 WeakPolarHBondContact O-CA 3.22Å; F102-C121 PolarHBondContact O-N 3.07Å; F102-T185 HydrophobicContact CB-CG2 3.88Å; F102-T185 HydrophobicContact CD1-CG2 4.15Å; F102-T185 HydrophobicContact CG-CG2 4.16Å; F102-T186 WeakPolarHBondContact CA-O 3.49Å; F102-D187 HydrophobicContact CD1-CB 4.06Å; F102-D187 HydrophobicContact CE1-CB 3.96Å
103I93.2Very high80.7Confident0 Ų047.8 Ų47.80%030%0.3CS..EExtended strand (participates in β ladder)trans-113.6148.5164.656.5177.4000107.8L124 Y173 F180 T185 T186 L188 Q191 L194I103-L124 HydrophobicContact CG2-CD1 3.82Å; I103-Y173 HydrophobicContact CB-CE2 4.45Å; I103-Y173 HydrophobicContact CG2-CE1 4.34Å; I103-F180 HydrophobicContact CD1-CD1 3.79Å; I103-F180 HydrophobicContact CD1-CE1 3.55Å; I103-F180 HydrophobicContact CG1-CE1 4.5Å; I103-T185 CarbonylContact O-C 3.36Å; I103-T185 WeakPolarHBondContact O-CA 3.49Å; I103-T186 PolarHBondContact N-O 2.87Å; I103-T186 PolarHBondContact O-N 3.29Å; I103-T186 VanDerWaalsContact O-O 3.13Å; I103-L188 HydrophobicContact CD1-CD1 4.15Å; I103-L188 HydrophobicContact CG2-CD1 4.19Å; I103-Q191 HydrophobicContact CD1-CG 4.37Å; I103-L194 HydrophobicContact CD1-CD1 3.65Å
104G93.6Very high81.9Confident0 Ų047.9 Ų47.90%030%0.299CS..  trans-169.4176.1177.400000114.7S120 R171 Y173 E184G104-S120 PolarHBondContact N-OG 3.3Å; G104-R171 WeakPolarHBondContact O-CB 3.25Å; G104-R171 WeakPolarHBondContact O-CD 3.4Å; G104-Y173 PolarHBondContact N-OH 3.26Å; G104-Y173 WeakPolarHBondContact O-CE2 3.3Å; G104-Y173 PolarHBondContact O-OH 3.22Å; G104-E184 WeakPolarHBondContact CA-O 3.35Å
105G93.8Very high83.1Confident0 Ų047.6 Ų47.60%030%0.297CS..  trans-69.9178.2-179.300000114.4S107 V108 G169 R171 S182 S183G105-S107 PolarHBondContact O-N 2.85Å; G105-V108 WeakPolarHBondContact O-CB 3.44Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-V108 VanDerWaalsContact O-N 3.07Å; G105-G169 WeakPolarHBondContact CA-O 2.99Å; G105-R171 PolarHBondContact O-NH1 3.02Å; G105-S182 WeakPolarHBondContact CA-O 3.37Å; G105-S182 PolarHBondContact N-O 3.17Å; G105-S183 VanDerWaalsContact CA-O 3.28Å; G105-S183 WeakPolarHBondContact CA-O 3.04Å; G105-S183 PolarHBondContact N-O 2.92Å; G105-S183 VanDerWaalsContact N-O 3.08Å
106S92.8Very high83.7Confident24 Ų2450.4 Ų50.417%0.16830%0.297CS..THydrogen-bonded Turntrans-66.2-22.9-177.256.30000114V108 D138 G169 L170S106-V108 PolarHBondContact O-N 3.28Å; S106-D138 VanDerWaalsContact CB-OD1 3.32Å; S106-D138 WeakPolarHBondContact CB-OD1 3.48Å; S106-D138 PolarHBondContact OG-OD1 2.85Å; S106-G169 PolarHBondContact N-O 3.35Å; S106-G169 WeakPolarHBondContact OG-CA 3.39Å; S106-G169 PolarHBondContact OG-N 2.85Å; S106-G169 VanDerWaalsContact OG-N 3.08Å; S106-L170 PolarHBondContact OG-O 2.98Å
107S89.3Confident84.3Confident105 Ų10544 Ų4473%0.73428%0.278SS*.THydrogen-bonded Turntrans-64.9-17.8173-540000113.3G105G105-S107 PolarHBondContact O-N 2.85Å
108V89.1Confident84.6Confident21 Ų2146.1 Ų46.113%0.12729%0.288CS..SBendtrans-95.1126.6-178.2-171.70000109.1G105 S106 N110 S120 R171 T185G105-V108 WeakPolarHBondContact O-CB 3.44Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-V108 VanDerWaalsContact O-N 3.07Å; S106-V108 PolarHBondContact O-N 3.28Å; V108-N110 PolarHBondContact O-N 2.62Å; V108-N110 PolarHBondContact O-OD1 2.78Å; V108-S120 WeakPolarHBondContact CG1-OG 3.41Å; V108-R171 PolarHBondContact O-NH1 3.46Å; V108-R171 VanDerWaalsContact O-NH1 3.13Å; V108-T185 HydrophobicContact CG1-CG2 4.46Å; V108-T185 WeakPolarHBondContact CG2-OG1 3.11Å
109T88.3Confident84.9Confident75 Ų7550.2 Ų50.246%0.4630%0.302SS..PPolyproline II helixtrans-60.7135.2178.463.40000111.2R119 S120T109-R119 WeakPolarHBondContact O-CA 3.28Å; T109-R119 WeakPolarHBondContact O-CB 3.08Å; T109-R119 WeakPolarHBondContact OG1-CG 3.2Å; T109-R119 PolarHBondContact OG1-NH1 3.05Å; T109-S120 PolarHBondContact O-N 2.54Å
110N87.7Confident85.5Confident57 Ų5746.2 Ų46.231%0.30528%0.275SS..BIsolated β-bridgetrans-83.1158177.3-56.854.6000111.4V108 S120 R171V108-N110 PolarHBondContact O-N 2.62Å; V108-N110 PolarHBondContact O-OD1 2.78Å; N110-S120 CarbonylContact C-O 3.56Å; N110-S120 VanDerWaalsContact CA-O 3.26Å; N110-S120 WeakPolarHBondContact CA-O 3.39Å; N110-R171 PolarHBondContact ND2-NH1 2.77Å; N110-R171 PolarHBondContact ND2-NH2 3.45Å; N110-R171 PolarHBondContact OD1-NH1 2.77Å; N110-R171 PolarHBondContact OD1-NH2 3.4Å
111G85.3Confident85.8Confident13 Ų1344.7 Ų44.713%0.13427%0.265CS..SBendtrans124.4-156172.200000112.2G113 S120G111-G113 PolarHBondContact O-N 2.91Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G111-S120 PolarHBondContact N-O 3.49Å
112V83.6Confident85.8Confident27 Ų2746 Ų4616%0.16427%0.271CS..  trans-76107.2-172.9-175.10000112.2S93 R96 C98S93-V112 WeakPolarHBondContact OG-CG2 3.38Å; R96-V112 HydrophobicContact CB-CG1 3.96Å; C98-V112 VanDerWaalsContact SG-CA 3.54Å
113G76.3Confident85.7Confident0 Ų047.8 Ų47.80%028%0.28CS..  trans-74129.3171.400000112.1C98 C99 G111 S117C98-G113 VanDerWaalsContact CA-O 3.26Å; C98-G113 WeakPolarHBondContact CA-O 3.44Å; C98-G113 PolarHBondContact SG-N 3.3Å; C99-G113 PolarHBondContact N-O 3.15Å; C99-G113 VanDerWaalsContact N-O 3.07Å; G111-G113 PolarHBondContact O-N 2.91Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G113-S117 WeakPolarHBondContact CA-O 3.35Å
114T73.1Confident85.7Confident45 Ų4547.9 Ų47.928%0.27628%0.28SS..BIsolated β-bridgetrans-120166.2174.255.60000109.3T116 S117T114-T116 PolarHBondContact O-N 2.93Å; T114-S117 PolarHBondContact N-O 2.74Å; T114-S117 CarbonylContact O-C 3.59Å; T114-S117 PolarHBondContact O-N 2.59Å
115A70.4Confident85.7Confident96 Ų9651.3 Ų51.379%0.79329%0.293SS*.THydrogen-bonded Turntrans-51.4-28.5-178.600000114.2
116T72.4Confident85.7Confident142 Ų14251.3 Ų51.387%0.87129%0.293SS*.THydrogen-bonded Turntrans-93.5-16.4178.9-41.30000113.3T114T114-T116 PolarHBondContact O-N 2.93Å
117S79.3Confident85.7Confident32 Ų3254.8 Ų54.822%0.22431%0.31CS..BIsolated β-bridgetrans-131.5104.5-174.6-171.80000110.9G113 T114 R119G113-S117 WeakPolarHBondContact CA-O 3.35Å; T114-S117 PolarHBondContact N-O 2.74Å; T114-S117 CarbonylContact O-C 3.59Å; T114-S117 PolarHBondContact O-N 2.59Å; S117-R119 PolarHBondContact O-N 3.13Å; S117-R119 PolarHBondContact OG-NE 3.05Å
118K83.2Confident85.9Confident155 Ų15552.8 Ų52.867%0.67430%0.296SS*.  trans-72.4111172.9-65.1-177.5-178.2179.40109.1F102F102-K118 HydrophobicContact CE2-CG 4.21Å; F102-K118 HydrophobicContact CZ-CG 4.3Å
119R89.3Confident86.1Confident92 Ų9253.1 Ų53.135%0.34730%0.299SS..  trans-138.1146.4179.2-59.8-170.3-179.5-101.24109.6T109 S117T109-R119 WeakPolarHBondContact O-CA 3.28Å; T109-R119 WeakPolarHBondContact O-CB 3.08Å; T109-R119 WeakPolarHBondContact OG1-CG 3.2Å; T109-R119 PolarHBondContact OG1-NH1 3.05Å; S117-R119 PolarHBondContact O-N 3.13Å; S117-R119 PolarHBondContact OG-NE 3.05Å
120S91Very high86.3Confident0 Ų053.9 Ų53.90%030%0.3CS..BIsolated β-bridgetrans-74.2124.6175.3-59.70000110F102 G104 V108 T109 N110 G111 D122F102-S120 WeakPolarHBondContact O-CA 3.22Å; G104-S120 PolarHBondContact N-OG 3.3Å; V108-S120 WeakPolarHBondContact CG1-OG 3.41Å; T109-S120 PolarHBondContact O-N 2.54Å; N110-S120 CarbonylContact C-O 3.56Å; N110-S120 VanDerWaalsContact CA-O 3.26Å; N110-S120 WeakPolarHBondContact CA-O 3.39Å; G111-S120 PolarHBondContact N-O 3.49Å; S120-D122 PolarHBondContact O-N 3.22Å
121C90.6Very high86.6Confident1 Ų154.5 Ų54.51%0.00730%0.3CS..  trans-68.3131.9-178.3-176.80000111.4C98 V101 F102 L124C98-C121 HydrophobicContact CB-CB 4.23Å; C98-C121 VanDerWaalsContact SG-CB 3.58Å; C98-C121 PolarHBondContact SG-SG 3.23Å; V101-C121 HydrophobicContact CG1-CB 3.88Å; F102-C121 PolarHBondContact O-N 3.07Å; C121-L124 HydrophobicContact CB-CD1 4.44Å; C121-L124 HydrophobicContact CB-CD2 3.92Å; C121-L124 HydrophobicContact CB-CG 4.01Å
122D89.2Confident87Confident57 Ų5760.6 Ų60.631%0.30532%0.319SS..SBendtrans-99-10.5179.163.6-26.7000114.4S120 M135S120-D122 PolarHBondContact O-N 3.22Å; D122-M135 VanDerWaalsContact CA-CE 3.44Å; D122-M135 HydrophobicContact CB-CE 3.55Å
123Q89Confident87.5Confident62 Ų6259.4 Ų59.429%0.2931%0.312SS..  trans-108.145.4-177.7-64-177.434.500111.9I198 H199Q123-I198 HydrophobicContact CB-CG2 4.33Å; Q123-I198 CarbonylContact O-C 3.52Å; Q123-I198 WeakPolarHBondContact O-CA 3.23Å; Q123-H199 PolarHBondContact O-N 2.78Å
124L92Very high88.4Confident1 Ų160 Ų601%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-84.3142-179.9-66.5173.8000112V101 I103 C121 V133 L188 W196 N197V101-L124 HydrophobicContact CG1-CD2 3.58Å; I103-L124 HydrophobicContact CG2-CD1 3.82Å; C121-L124 HydrophobicContact CB-CD1 4.44Å; C121-L124 HydrophobicContact CB-CD2 3.92Å; C121-L124 HydrophobicContact CB-CG 4.01Å; L124-V133 HydrophobicContact CB-CB 3.76Å; L124-V133 HydrophobicContact CB-CG2 3.84Å; L124-V133 PolarHBondContact O-N 2.92Å; L124-L188 HydrophobicContact CD2-CD2 4.26Å; L124-W196 HydrophobicContact CD1-CE3 4.42Å; L124-N197 CarbonylContact C-O 3.5Å; L124-N197 VanDerWaalsContact CA-O 3.22Å; L124-N197 WeakPolarHBondContact CA-O 3.22Å
125R93.3Very high89.5Confident72 Ų7259.4 Ų59.427%0.27231%0.31SS..EExtended strand (participates in β ladder)trans-134.8140.2174.9-169.9169.9-166.9-157.73.1110.1D130 W196 N197 H199R125-D130 IonicContact CZ-OD1 3.64Å; R125-D130 IonicContact CZ-OD2 3.99Å; R125-D130 PolarHBondContact NE-O 2.95Å; R125-D130 IonicContact NE-OD1 3.34Å; R125-D130 PolarHBondContact NE-OD1 2.85Å; R125-D130 IonicContact NH1-OD1 2.96Å; R125-D130 PolarHBondContact NH1-OD1 3.48Å; R125-D130 IonicContact NH1-OD2 2.65Å; R125-D130 PolarHBondContact NH2-O 3.27Å; R125-D130 VanDerWaalsContact NH2-O 3.13Å; R125-D130 IonicContact NH2-OD1 3.2Å; R125-D130 PolarHBondContact NH2-OD1 3.32Å; R125-D130 IonicContact NH2-OD2 2.62Å; R125-D130 PolarHBondContact NH2-OD2 3.27Å; R125-W196 CarbonylContact O-C 3.58Å; R125-W196 VanDerWaalsContact O-CA 3.27Å; R125-W196 WeakPolarHBondContact O-CA 3.33Å; R125-N197 PolarHBondContact N-O 3.1Å; R125-N197 PolarHBondContact O-N 2.86Å; R125-N197 PolarHBondContact O-OD1 2.92Å; R125-H199 HydrophobicContact CB-CB 4.14Å; R125-H199 WeakPolarHBondContact CD-CD2 3.27Å; R125-H199 PolarHBondContact NH1-CD2 2.99Å; R125-H199 PolarHBondContact NH1-NE2 2.68Å
126C94.1Very high90.7Very high1 Ų155.6 Ų55.61%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-84.8131.3179.3-178.80000111.3S128 C129 D130 F131 C175 R195C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.49Å; C126-S128 PolarHBondContact SG-N 3.47Å; C126-S128 VanDerWaalsContact SG-N 3.43Å; C126-C129 VanDerWaalsContact SG-SG 3.68Å; C126-D130 WeakPolarHBondContact O-CA 3.44Å; C126-D130 PolarHBondContact O-N 3.49Å; C126-F131 PolarHBondContact N-O 3.16Å; C126-C175 HydrophobicContact CB-CB 3.79Å; C126-R195 CarbonylContact C-O 3.59Å
127N92.4Very high91.8Very high96 Ų9652.8 Ų52.851%0.51326%0.255SS..THydrogen-bonded Turntrans-72.6-21.8178.7-57.119.6000112.8R195 N197N127-R195 HydrophobicContact CB-CB 4.37Å; N127-R195 WeakPolarHBondContact CB-O 3.35Å; N127-R195 PolarHBondContact N-O 3.44Å; N127-R195 PolarHBondContact OD1-O 3.32Å; N127-N197 WeakPolarHBondContact OD1-CB 3.4Å; N127-N197 PolarHBondContact OD1-ND2 2.98Å
128S93.8Very high92.5Very high64 Ų6454.6 Ų54.645%0.44826%0.262SS..THydrogen-bonded Turntrans-86.4-44.7-176.2-59.40000113C126 R195C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.49Å; C126-S128 PolarHBondContact SG-N 3.47Å; C126-S128 VanDerWaalsContact SG-N 3.43Å; S128-R195 VanDerWaalsContact OG-CD 3.32Å; S128-R195 WeakPolarHBondContact OG-CD 3.36Å
129C94.3Very high93.2Very high27 Ų2747.4 Ų47.418%0.18223%0.231CC..THydrogen-bonded Turntrans-107.8-3.3-178.362.30000113C126 F131 C175 Q176 C177C126-C129 VanDerWaalsContact SG-SG 3.68Å; C129-F131 HydrophobicContact CB-CD2 3.97Å; C129-F131 WeakPolarHBondContact O-CD2 3.28Å; C129-F131 WeakPolarHBondContact O-CE2 3.4Å; C129-F131 PolarHBondContact O-N 3.26Å; C129-C175 VanDerWaalsContact SG-SG 3.67Å; C129-Q176 HydrophobicContact CB-CB 4.06Å; C129-C177 HydrophobicContact CB-CB 4.23Å; C129-C177 VanDerWaalsContact SG-SG 3.63Å
130D93.1Very high93.5Very high91 Ų9146.1 Ų46.149%0.48723%0.229SC..  trans59.69.4179.1-154.535.4000115.6R125 C126R125-D130 IonicContact CZ-OD1 3.64Å; R125-D130 IonicContact CZ-OD2 3.99Å; R125-D130 PolarHBondContact NE-O 2.95Å; R125-D130 IonicContact NE-OD1 3.34Å; R125-D130 PolarHBondContact NE-OD1 2.85Å; R125-D130 IonicContact NH1-OD1 2.96Å; R125-D130 PolarHBondContact NH1-OD1 3.48Å; R125-D130 IonicContact NH1-OD2 2.65Å; R125-D130 PolarHBondContact NH2-O 3.27Å; R125-D130 VanDerWaalsContact NH2-O 3.13Å; R125-D130 IonicContact NH2-OD1 3.2Å; R125-D130 PolarHBondContact NH2-OD1 3.32Å; R125-D130 IonicContact NH2-OD2 2.62Å; R125-D130 PolarHBondContact NH2-OD2 3.27Å; C126-D130 WeakPolarHBondContact O-CA 3.44Å; C126-D130 PolarHBondContact O-N 3.49Å
131F93Very high93.8Very high71 Ų7146.6 Ų46.631%0.31123%0.231SC..PPolyproline II helixtrans-82.3147173.4-74.8-83.8000112.1C126 C129 V133 Q176C126-F131 PolarHBondContact N-O 3.16Å; C129-F131 HydrophobicContact CB-CD2 3.97Å; C129-F131 WeakPolarHBondContact O-CD2 3.28Å; C129-F131 WeakPolarHBondContact O-CE2 3.4Å; C129-F131 PolarHBondContact O-N 3.26Å; F131-V133 PolarHBondContact O-N 2.76Å; F131-Q176 HydrophobicContact CD2-CB 4.03Å; F131-Q176 VanDerWaalsContact CD2-CD 3.44Å; F131-Q176 HydrophobicContact CD2-CG 3.73Å; F131-Q176 HydrophobicContact CE2-CG 3.96Å; F131-Q176 VanDerWaalsContact CE2-NE2 3.3Å; F131-Q176 HydrophobicContact CG-CG 4.18Å
132R93.8Very high94.1Very high140 Ų14048 Ų4853%0.52824%0.238SC..BIsolated β-bridgetrans-59.4135.8167.1178177.4-89.7-148.4-3.6109.2L134R132-L134 PolarHBondContact O-N 3Å
133V95.1Very high94.3Very high3 Ų350.9 Ų50.92%0.01826%0.26CS..PPolyproline II helixtrans-74.8118.8173.6-177.80000108.1L124 F131 Y173 A174 C175 W196L124-V133 HydrophobicContact CB-CB 3.76Å; L124-V133 HydrophobicContact CB-CG2 3.84Å; L124-V133 PolarHBondContact O-N 2.92Å; F131-V133 PolarHBondContact O-N 2.76Å; V133-Y173 HydrophobicContact CG1-CD1 4.24Å; V133-A174 CarbonylContact C-O 3.48Å; V133-A174 WeakPolarHBondContact CA-O 3.32Å; V133-C175 HydrophobicContact CG2-CB 4.46Å; V133-W196 HydrophobicContact CG1-CD2 4.16Å; V133-W196 HydrophobicContact CG1-CE3 4.03Å; V133-W196 HydrophobicContact CG1-CH2 3.98Å; V133-W196 HydrophobicContact CG1-CZ2 4.08Å; V133-W196 HydrophobicContact CG1-CZ3 3.94Å; V133-W196 HydrophobicContact CG2-CB 4.27Å; V133-W196 HydrophobicContact CG2-CD2 3.65Å; V133-W196 HydrophobicContact CG2-CE3 4.22Å; V133-W196 HydrophobicContact CG2-CG 3.66Å
134L95.1Very high94.6Very high11 Ų1150.8 Ų50.86%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-78.1145.2173.5-58.7178.2000109.4R132 F136 V154 P155 R157 L160 Y173 A174R132-L134 PolarHBondContact O-N 3Å; L134-F136 HydrophobicContact CB-CE2 3.87Å; L134-F136 HydrophobicContact CB-CZ 4.24Å; L134-F136 HydrophobicContact CD1-CZ 4.38Å; L134-V154 HydrophobicContact CD1-CG1 4.34Å; L134-P155 HydrophobicContact CD1-CB 4.46Å; L134-R157 HydrophobicContact CD1-CG 4.15Å; L134-L160 HydrophobicContact CD1-CD1 3.57Å; L134-Y173 CarbonylContact O-C 3.58Å; L134-Y173 VanDerWaalsContact O-CA 3.28Å; L134-Y173 WeakPolarHBondContact O-CA 3.21Å; L134-A174 PolarHBondContact N-O 2.98Å; L134-A174 PolarHBondContact O-N 3.37Å
135M94.9Very high94.7Very high33 Ų3351.1 Ų51.116%0.16327%0.269CS..EExtended strand (participates in β ladder)trans-123.3141.6176-55.8-179-66.300109.4D122 R157 A172 Y173D122-M135 VanDerWaalsContact CA-CE 3.44Å; D122-M135 HydrophobicContact CB-CE 3.55Å; M135-R157 PolarHBondContact O-NH1 3.43Å; M135-A172 CarbonylContact C-O 3.48Å; M135-A172 WeakPolarHBondContact CA-O 3.27Å; M135-Y173 HydrophobicContact CG-CD1 3.69Å; M135-Y173 HydrophobicContact CG-CE1 3.69Å; M135-Y173 HydrophobicContact SD-CD1 4.36Å; M135-Y173 HydrophobicContact SD-CE1 3.79Å
136F95.4Very high94.8Very high17 Ų1751.5 Ų51.58%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-131.8116.8176.9-57-91.2000109.3L134 W141 R157 L160 L164 R171 A172L134-F136 HydrophobicContact CB-CE2 3.87Å; L134-F136 HydrophobicContact CB-CZ 4.24Å; L134-F136 HydrophobicContact CD1-CZ 4.38Å; F136-W141 HydrophobicContact CD2-CZ2 4.16Å; F136-W141 HydrophobicContact CE2-CH2 4.1Å; F136-W141 HydrophobicContact CE2-CZ2 4Å; F136-R157 HydrophobicContact CE1-CB 4.08Å; F136-R157 HydrophobicContact CE1-CG 4.07Å; F136-R157 HydrophobicContact CZ-CB 4.37Å; F136-R157 HydrophobicContact CZ-CG 4.11Å; F136-L160 HydrophobicContact CE2-CD1 4.34Å; F136-L160 HydrophobicContact CZ-CB 4.03Å; F136-L160 HydrophobicContact CZ-CD1 3.92Å; F136-L164 HydrophobicContact CB-CD1 3.93Å; F136-L164 HydrophobicContact CD1-CD1 3.48Å; F136-L164 VanDerWaalsContact CD1-CD1 3.48Å; F136-L164 HydrophobicContact CD2-CD1 3.87Å; F136-L164 HydrophobicContact CE1-CD1 3.84Å; F136-L164 HydrophobicContact CE2-CD1 4.21Å; F136-L164 HydrophobicContact CG-CD1 3.48Å; F136-L164 VanDerWaalsContact CG-CD1 3.48Å; F136-L164 HydrophobicContact CZ-CD1 4.19Å; F136-R171 WeakPolarHBondContact O-CA 2.82Å; F136-R171 WeakPolarHBondContact O-CG 3.34Å; F136-A172 HydrophobicContact CB-CB 4.29Å; F136-A172 PolarHBondContact N-O 3.02Å; F136-A172 PolarHBondContact O-N 3.03Å
137D95.2Very high94.8Very high83 Ų8356.2 Ų56.244%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-76.3148.7-179.7-64.7-23.1000111.7S139 R171D137-S139 PolarHBondContact O-N 2.79Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 PolarHBondContact O-OG 3.35Å; D137-R171 IonicContact OD1-CZ 3.78Å; D137-R171 IonicContact OD1-NE 2.71Å; D137-R171 PolarHBondContact OD1-NE 3.4Å; D137-R171 IonicContact OD1-NH2 3.11Å; D137-R171 PolarHBondContact OD1-NH2 2.7Å; D137-R171 IonicContact OD2-NH2 3.04Å
138D95.5Very high95Very high70 Ų7056.7 Ų56.737%0.37430%0.297SS..EExtended strand (participates in β ladder)trans49.239.2179.8-63.3-47.8000113S106 K166 R167 K168 G169 L170S106-D138 VanDerWaalsContact CB-OD1 3.32Å; S106-D138 WeakPolarHBondContact CB-OD1 3.48Å; S106-D138 PolarHBondContact OG-OD1 2.85Å; D138-K166 WeakPolarHBondContact O-CA 3.15Å; D138-R167 CarbonylContact C-O 2.98Å; D138-R167 WeakPolarHBondContact CA-O 3.44Å; D138-R167 CarbonylContact O-C 3.33Å; D138-R167 PolarHBondContact O-N 2.83Å; D138-K168 WeakPolarHBondContact OD1-CA 3.46Å; D138-G169 PolarHBondContact OD1-N 2.89Å; D138-L170 WeakPolarHBondContact CA-O 3.43Å; D138-L170 PolarHBondContact N-O 2.92Å
139S96.2Very high95.1Very high3 Ų355.1 Ų55.12%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-142.1148.6-172.7-55.10000110.7D137 K165 R167 L170 R171 A172D137-S139 PolarHBondContact O-N 2.79Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 PolarHBondContact O-OG 3.35Å; S139-K165 CarbonylContact C-O 3.45Å; S139-K165 VanDerWaalsContact CA-O 3.28Å; S139-K165 WeakPolarHBondContact CA-O 3.38Å; S139-R167 PolarHBondContact N-O 3.4Å; S139-L170 PolarHBondContact N-O 3.33Å; S139-L170 CarbonylContact O-C 3.53Å; S139-R171 CarbonylContact O-C 3.52Å; S139-A172 WeakPolarHBondContact O-CB 3.4Å; S139-A172 PolarHBondContact O-N 2.9Å
140E96.8Very high95.1Very high65 Ų6553.9 Ų53.930%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-131.7143.6177.8-173.8-175.7-168.800108.8K165 R167 L170E140-K165 PolarHBondContact N-O 2.78Å; E140-K165 PolarHBondContact O-N 3.12Å; E140-R167 HydrophobicContact CB-CB 4.2Å; E140-R167 HydrophobicContact CB-CG 3.98Å; E140-R167 WeakPolarHBondContact OE2-CG 3.25Å; E140-R167 IonicContact OE2-NE 2.65Å; E140-L170 HydrophobicContact CB-CD2 4.08Å; E140-L170 HydrophobicContact CG-CD2 3.89Å
141W97.1Very high95.3Very high11 Ų1155.8 Ų55.84%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-64.2134.1171-68.9110000111.8F136 C145 L160 K163 L164 A172 Y173 A174 W179 S181F136-W141 HydrophobicContact CD2-CZ2 4.16Å; F136-W141 HydrophobicContact CE2-CH2 4.1Å; F136-W141 HydrophobicContact CE2-CZ2 4Å; W141-C145 HydrophobicContact CB-CB 4.46Å; W141-C145 HydrophobicContact CE3-CB 4.4Å; W141-C145 VanDerWaalsContact CE3-SG 3.57Å; W141-L160 HydrophobicContact CH2-CB 4.16Å; W141-L160 HydrophobicContact CH2-CD2 4.11Å; W141-L160 HydrophobicContact CZ3-CD2 4.46Å; W141-K163 HydrophobicContact CE3-CB 4.49Å; W141-K163 HydrophobicContact CZ3-CB 4.47Å; W141-L164 HydrophobicContact CD2-CD2 3.8Å; W141-L164 HydrophobicContact CE3-CD2 3.65Å; W141-L164 HydrophobicContact CE3-CG 4.15Å; W141-L164 HydrophobicContact CG-CD2 4.46Å; W141-L164 HydrophobicContact CH2-CD1 4.44Å; W141-L164 HydrophobicContact CH2-CD2 3.91Å; W141-L164 HydrophobicContact CH2-CG 4.14Å; W141-L164 HydrophobicContact CZ2-CD2 4.02Å; W141-L164 HydrophobicContact CZ3-CD2 3.73Å; W141-L164 HydrophobicContact CZ3-CG 3.85Å; W141-A172 HydrophobicContact CD2-CB 4.43Å; W141-A172 HydrophobicContact CG-CB 4.32Å; W141-A172 HydrophobicContact CZ2-CB 4.46Å; W141-Y173 PolarHBondContact NE1-O 2.89Å; W141-A174 HydrophobicContact CH2-CB 4.03Å; W141-A174 HydrophobicContact CZ2-CB 3.26Å; W141-W179 AromaticContact CD1-CD1 3.8Å; W141-W179 HydrophobicContact CD2-CB 4.38Å; W141-W179 HydrophobicContact CG-CB 4.28Å; W141-W179 AromaticContact CG-CD1 3.75Å; W141-W179 HydrophobicContact CG-CG 4.35Å; W141-S181 PolarHBondContact N-OG 3.11Å; W141-S181 VanDerWaalsContact N-OG 3.13Å
142D96.3Very high95.4Very high30 Ų3058 Ų5816%0.1629%0.289CS..  trans-63.4143.1171.2-170.4-89.6000111S144 C145 K163 K165D142-S144 PolarHBondContact O-N 3.13Å; D142-S144 VanDerWaalsContact O-N 3.13Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 WeakPolarHBondContact OD1-CB 3.21Å; D142-S144 PolarHBondContact OD1-N 3.47Å; D142-S144 PolarHBondContact OD1-OG 3.31Å; D142-C145 WeakPolarHBondContact O-CB 3.4Å; D142-C145 PolarHBondContact O-N 3.3Å; D142-K163 WeakPolarHBondContact CB-O 3.43Å; D142-K163 PolarHBondContact N-O 2.93Å; D142-K165 HydrophobicContact CB-CD 4.42Å; D142-K165 WeakPolarHBondContact OD2-CD 3.4Å; D142-K165 WeakPolarHBondContact OD2-CE 3.41Å; D142-K165 IonicContact OD2-NZ 3.33Å; D142-K165 PolarHBondContact OD2-NZ 2.9Å
143P94.1Very high95.5Very high117 Ų11752.9 Ų52.976%0.7627%0.272SS*.THydrogen-bonded Turntrans-59.5-22.3175.9-25.635.4000114.6C145P143-C145 PolarHBondContact O-N 3.44Å
144S94.3Very high95.5Very high61 Ų6153 Ų5343%0.42727%0.272SS..THydrogen-bonded Turntrans-83.16.6173.174.40000113.8D142 K163D142-S144 PolarHBondContact O-N 3.13Å; D142-S144 VanDerWaalsContact O-N 3.13Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 WeakPolarHBondContact OD1-CB 3.21Å; D142-S144 PolarHBondContact OD1-N 3.47Å; D142-S144 PolarHBondContact OD1-OG 3.31Å; S144-K163 PolarHBondContact O-NZ 3.49Å; S144-K163 PolarHBondContact OG-NZ 2.96Å
145C95Very high95.5Very high8 Ų856.4 Ų56.45%0.05430%0.295CS..  trans-72.9126.5172.7-163.80000109.1W141 D142 P143 L150 K163 W179W141-C145 HydrophobicContact CB-CB 4.46Å; W141-C145 HydrophobicContact CE3-CB 4.4Å; W141-C145 VanDerWaalsContact CE3-SG 3.57Å; D142-C145 WeakPolarHBondContact O-CB 3.4Å; D142-C145 PolarHBondContact O-N 3.3Å; P143-C145 PolarHBondContact O-N 3.44Å; C145-L150 WeakPolarHBondContact SG-CD1 3.28Å; C145-K163 HydrophobicContact CB-CB 4.47Å; C145-W179 WeakPolarHBondContact O-CZ2 3.34Å
146D94.9Very high95.5Very high79 Ų7957.7 Ų57.742%0.42230%0.303SS..  trans-125.8167.1-176.26815000111.9L148 F149 L150D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.89Å; D146-L148 PolarHBondContact OD1-N 2.9Å; D146-F149 PolarHBondContact O-N 3.41Å; D146-F149 WeakPolarHBondContact OD1-CB 3.27Å; D146-F149 PolarHBondContact OD1-N 2.65Å; D146-L150 WeakPolarHBondContact O-CD1 3.33Å; D146-L150 PolarHBondContact O-N 2.96Å
147Y94.1Very high95.5Very high101 Ų10162.2 Ų62.240%0.39632%0.319SS..Hα-helixtrans-58.8-39.4-178.9169.5-102.6000113L150 R151 C177Y147-L150 PolarHBondContact O-N 2.93Å; Y147-R151 WeakPolarHBondContact O-CB 3.09Å; Y147-R151 PolarHBondContact O-N 3.13Å; Y147-R151 PolarHBondContact OH-NH1 3.01Å; Y147-C177 HydrophobicContact CE2-CB 4.21Å
148L96.1Very high95.5Very high106 Ų10665.1 Ų65.156%0.55533%0.33SS*.Hα-helixtrans-66.4-39.6-178-69.9175.5000111.7D146 R151 N152D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.89Å; D146-L148 PolarHBondContact OD1-N 2.9Å; L148-R151 PolarHBondContact O-N 3.46Å; L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 VanDerWaalsContact O-CG 3.24Å; L148-N152 PolarHBondContact O-N 3.23Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 3.21Å
149F96.3Very high95.5Very high31 Ų3167 Ų6714%0.13634%0.335CS..Hα-helixtrans-59.1-48.9175.7177.7-98.7000111.1D146 N152 N153 K159 L160 K163D146-F149 PolarHBondContact O-N 3.41Å; D146-F149 WeakPolarHBondContact OD1-CB 3.27Å; D146-F149 PolarHBondContact OD1-N 2.65Å; F149-N152 PolarHBondContact O-N 3.18Å; F149-N153 VanDerWaalsContact CD2-ND2 3.34Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.22Å; F149-N153 VanDerWaalsContact O-CB 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.37Å; F149-N153 PolarHBondContact O-N 3.26Å; F149-N153 PolarHBondContact O-ND2 3.38Å; F149-K159 WeakPolarHBondContact CZ-O 3.46Å; F149-L160 HydrophobicContact CD1-CD2 4.3Å; F149-L160 HydrophobicContact CE1-CD2 3.69Å; F149-L160 HydrophobicContact CZ-CD2 4.39Å; F149-K163 HydrophobicContact CD1-CB 4.17Å; F149-K163 HydrophobicContact CD1-CG 3.85Å; F149-K163 HydrophobicContact CD2-CG 4.04Å; F149-K163 HydrophobicContact CE1-CB 3.58Å; F149-K163 HydrophobicContact CE1-CG 3.5Å; F149-K163 HydrophobicContact CE2-CG 3.71Å; F149-K163 HydrophobicContact CG-CG 4.1Å; F149-K163 HydrophobicContact CZ-CB 3.82Å; F149-K163 HydrophobicContact CZ-CG 3.42Å; F149-K163 VanDerWaalsContact CZ-CG 3.42Å
150L96Very high95.5Very high0 Ų066.8 Ų66.80%033%0.334CS..Hα-helixtrans-66.3-41.2179-76.8100.3000112.8C145 D146 Y147 N152 N153 V154 A174 C175 W179C145-L150 WeakPolarHBondContact SG-CD1 3.28Å; D146-L150 WeakPolarHBondContact O-CD1 3.33Å; D146-L150 PolarHBondContact O-N 2.96Å; Y147-L150 PolarHBondContact O-N 2.93Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 2.91Å; L150-N153 PolarHBondContact O-N 3.05Å; L150-V154 HydrophobicContact CB-CG2 4.27Å; L150-V154 HydrophobicContact CD2-CG2 4.39Å; L150-V154 WeakPolarHBondContact O-CB 3.45Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.08Å; L150-A174 HydrophobicContact CD2-CB 3.54Å; L150-C175 VanDerWaalsContact CD2-O 3.25Å; L150-C175 WeakPolarHBondContact CD2-O 3.41Å; L150-W179 HydrophobicContact CD1-CB 4.38Å; L150-W179 HydrophobicContact CD1-CD2 3.83Å; L150-W179 HydrophobicContact CD1-CE3 3.54Å; L150-W179 HydrophobicContact CD1-CG 4.22Å; L150-W179 HydrophobicContact CD1-CZ3 4.11Å; L150-W179 HydrophobicContact CD2-CB 3.68Å; L150-W179 HydrophobicContact CD2-CE3 4.21Å; L150-W179 HydrophobicContact CD2-CG 4.36Å; L150-W179 HydrophobicContact CG-CE3 4.44Å
151R95.8Very high95.4Very high131 Ų13169 Ų6949%0.49434%0.344SS..Hα-helixtrans-58.2-40.1178.6-175.7177.7-179.589.62.7112Y147 L148 Q176Y147-R151 WeakPolarHBondContact O-CB 3.09Å; Y147-R151 PolarHBondContact O-N 3.13Å; Y147-R151 PolarHBondContact OH-NH1 3.01Å; L148-R151 PolarHBondContact O-N 3.46Å; R151-Q176 PolarHBondContact N-O 3.12Å
152N96.3Very high95.4Very high119 Ų11972.6 Ų72.664%0.63638%0.376SS*.Hα-helixtrans-85.3-25.3-176.1-65.5-16.4000113.3L148 F149 L150L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 VanDerWaalsContact O-CG 3.24Å; L148-N152 PolarHBondContact O-N 3.23Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 3.21Å; F149-N152 PolarHBondContact O-N 3.18Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 2.91Å
153N96.1Very high95.3Very high31 Ų3173.9 Ų73.917%0.16638%0.38CS..Hα-helixtrans-111.3-18.2-170.4-64.3-75.4000114.5F149 L150 D156 K159 L160F149-N153 VanDerWaalsContact CD2-ND2 3.34Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.22Å; F149-N153 VanDerWaalsContact O-CB 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.37Å; F149-N153 PolarHBondContact O-N 3.26Å; F149-N153 PolarHBondContact O-ND2 3.38Å; L150-N153 PolarHBondContact O-N 3.05Å; N153-D156 WeakPolarHBondContact O-CA 3.34Å; N153-D156 VanDerWaalsContact O-CB 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.05Å; N153-D156 PolarHBondContact O-N 3.1Å; N153-K159 HydrophobicContact CB-CB 3.97Å; N153-K159 WeakPolarHBondContact OD1-CB 3.36Å; N153-K159 VanDerWaalsContact OD1-CD 3.22Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; N153-L160 HydrophobicContact CB-CD2 3.97Å; N153-L160 HydrophobicContact CB-CG 4.38Å
154V94.3Very high95.4Very high5 Ų569.6 Ų69.63%0.0335%0.35CS..THydrogen-bonded Turntrans-77.5130.2172.7174.30000109.1L134 L150 L160 Q176L134-V154 HydrophobicContact CD1-CG1 4.34Å; L150-V154 HydrophobicContact CB-CG2 4.27Å; L150-V154 HydrophobicContact CD2-CG2 4.39Å; L150-V154 WeakPolarHBondContact O-CB 3.45Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.08Å; V154-L160 HydrophobicContact CG2-CD1 3.84Å; V154-L160 HydrophobicContact CG2-CD2 3.94Å; V154-L160 HydrophobicContact CG2-CG 4.47Å; V154-Q176 HydrophobicContact CB-CB 4.46Å; V154-Q176 HydrophobicContact CB-CG 3.61Å; V154-Q176 HydrophobicContact CG1-CG 3.76Å; V154-Q176 PolarHBondContact O-NE2 2.87Å
155P94.6Very high95.5Very high83 Ų8371 Ų7154%0.53935%0.349SS..THydrogen-bonded Turncis-100.11417.438.5-36.8000116.7L134 R157L134-P155 HydrophobicContact CD1-CB 4.46Å; P155-R157 PolarHBondContact O-N 3.42Å
156D95.9Very high95.6Very high60 Ų6078.8 Ų78.832%0.32138%0.382SS..  trans-68.799.9-178.5-172.5-24.8000111.9N153 H158 K159 L160N153-D156 WeakPolarHBondContact O-CA 3.34Å; N153-D156 VanDerWaalsContact O-CB 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.05Å; N153-D156 PolarHBondContact O-N 3.1Å; D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 3.32Å; D156-H158 WeakPolarHBondContact OD1-CB 3.37Å; D156-H158 PolarHBondContact OD1-N 3.07Å; D156-K159 HydrophobicContact CB-CB 4.26Å; D156-K159 HydrophobicContact CB-CD 4.11Å; D156-K159 HydrophobicContact CB-CG 4.29Å; D156-K159 PolarHBondContact O-N 3.42Å; D156-K159 PolarHBondContact OD1-N 3.38Å; D156-K159 VanDerWaalsContact OD1-N 3.15Å; D156-K159 WeakPolarHBondContact OD2-CD 2.94Å; D156-K159 WeakPolarHBondContact OD2-CE 3.26Å; D156-K159 WeakPolarHBondContact OD2-CG 3.37Å; D156-K159 IonicContact OD2-NZ 3.89Å; D156-L160 VanDerWaalsContact O-CG 3.23Å; D156-L160 WeakPolarHBondContact O-CG 3.04Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.16Å
157R94.8Very high95.6Very high112 Ų11281.7 Ų81.742%0.42339%0.387SS..Hα-helixtrans-60.9-32.6179.8-70.6178.3174.3-92.35.6113.1L134 M135 F136 P155 Q161L134-R157 HydrophobicContact CD1-CG 4.15Å; M135-R157 PolarHBondContact O-NH1 3.43Å; F136-R157 HydrophobicContact CE1-CB 4.08Å; F136-R157 HydrophobicContact CE1-CG 4.07Å; F136-R157 HydrophobicContact CZ-CB 4.37Å; F136-R157 HydrophobicContact CZ-CG 4.11Å; P155-R157 PolarHBondContact O-N 3.42Å; R157-Q161 WeakPolarHBondContact O-CG 3.4Å; R157-Q161 PolarHBondContact O-N 3.3Å
158H95.4Very high95.6Very high145 Ų14586.2 Ų86.267%0.67141%0.409SS*.Hα-helixtrans-70.5-45.7-177.2-177.7-91.3000110.2D156 L160 Q161D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 3.32Å; D156-H158 WeakPolarHBondContact OD1-CB 3.37Å; D156-H158 PolarHBondContact OD1-N 3.07Å; H158-L160 VanDerWaalsContact C-N 3.31Å; H158-L160 PolarHBondContact O-N 3.43Å; H158-Q161 WeakPolarHBondContact O-CB 3.45Å; H158-Q161 PolarHBondContact O-N 3.33Å
159K96.1Very high95.4Very high108 Ų10882.1 Ų82.147%0.4739%0.392SS..Hα-helixtrans-62.4-38.8175.6-68178.4-171.9170.60112.3F149 N153 D156 Q161 A162F149-K159 WeakPolarHBondContact CZ-O 3.46Å; N153-K159 HydrophobicContact CB-CB 3.97Å; N153-K159 WeakPolarHBondContact OD1-CB 3.36Å; N153-K159 VanDerWaalsContact OD1-CD 3.22Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; D156-K159 HydrophobicContact CB-CB 4.26Å; D156-K159 HydrophobicContact CB-CD 4.11Å; D156-K159 HydrophobicContact CB-CG 4.29Å; D156-K159 PolarHBondContact O-N 3.42Å; D156-K159 PolarHBondContact OD1-N 3.38Å; D156-K159 VanDerWaalsContact OD1-N 3.15Å; D156-K159 WeakPolarHBondContact OD2-CD 2.94Å; D156-K159 WeakPolarHBondContact OD2-CE 3.26Å; D156-K159 WeakPolarHBondContact OD2-CG 3.37Å; D156-K159 IonicContact OD2-NZ 3.89Å; K159-Q161 VanDerWaalsContact C-N 3.25Å; K159-Q161 PolarHBondContact O-N 3.49Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.64Å
160L95.8Very high95.4Very high0 Ų082.5 Ų82.50%040%0.395CS..Hα-helixtrans-64.2-26.6178.4-68.9170.1000113.7L134 F136 W141 F149 N153 V154 D156 H158 A162 K163L134-L160 HydrophobicContact CD1-CD1 3.57Å; F136-L160 HydrophobicContact CE2-CD1 4.34Å; F136-L160 HydrophobicContact CZ-CB 4.03Å; F136-L160 HydrophobicContact CZ-CD1 3.92Å; W141-L160 HydrophobicContact CH2-CB 4.16Å; W141-L160 HydrophobicContact CH2-CD2 4.11Å; W141-L160 HydrophobicContact CZ3-CD2 4.46Å; F149-L160 HydrophobicContact CD1-CD2 4.3Å; F149-L160 HydrophobicContact CE1-CD2 3.69Å; F149-L160 HydrophobicContact CZ-CD2 4.39Å; N153-L160 HydrophobicContact CB-CD2 3.97Å; N153-L160 HydrophobicContact CB-CG 4.38Å; V154-L160 HydrophobicContact CG2-CD1 3.84Å; V154-L160 HydrophobicContact CG2-CD2 3.94Å; V154-L160 HydrophobicContact CG2-CG 4.47Å; D156-L160 VanDerWaalsContact O-CG 3.23Å; D156-L160 WeakPolarHBondContact O-CG 3.04Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.16Å; H158-L160 VanDerWaalsContact C-N 3.31Å; H158-L160 PolarHBondContact O-N 3.43Å; L160-A162 PolarHBondContact O-N 2.99Å; L160-K163 PolarHBondContact O-N 2.81Å; L160-K163 VanDerWaalsContact O-N 3.17Å
161Q95Very high95.4Very high112 Ų11282.6 Ų82.652%0.52340%0.395SS..G310 helixtrans-61.4-24.3176.8-73.7173.217.300113.3R157 H158 K159 K163 L164R157-Q161 WeakPolarHBondContact O-CG 3.4Å; R157-Q161 PolarHBondContact O-N 3.3Å; H158-Q161 WeakPolarHBondContact O-CB 3.45Å; H158-Q161 PolarHBondContact O-N 3.33Å; K159-Q161 VanDerWaalsContact C-N 3.25Å; K159-Q161 PolarHBondContact O-N 3.49Å; Q161-K163 PolarHBondContact O-N 3.13Å; Q161-K163 VanDerWaalsContact O-N 3.14Å; Q161-L164 HydrophobicContact CG-CD1 4.43Å; Q161-L164 PolarHBondContact O-N 3.33Å; Q161-L164 VanDerWaalsContact O-N 3.15Å
162A95.8Very high95.4Very high86 Ų8676.3 Ų76.371%0.71137%0.372SS*.G310 helixtrans-60-24.4176.900000113.5K159 L160K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.64Å; L160-A162 PolarHBondContact O-N 2.99Å
163K95.8Very high95.4Very high57 Ų5770.7 Ų70.725%0.24834%0.341CS..G310 helixtrans-11416.1180-67.8-75.8-176155.50113W141 D142 S144 C145 F149 L160 Q161W141-K163 HydrophobicContact CE3-CB 4.49Å; W141-K163 HydrophobicContact CZ3-CB 4.47Å; D142-K163 WeakPolarHBondContact CB-O 3.43Å; D142-K163 PolarHBondContact N-O 2.93Å; S144-K163 PolarHBondContact O-NZ 3.49Å; S144-K163 PolarHBondContact OG-NZ 2.96Å; C145-K163 HydrophobicContact CB-CB 4.47Å; F149-K163 HydrophobicContact CD1-CB 4.17Å; F149-K163 HydrophobicContact CD1-CG 3.85Å; F149-K163 HydrophobicContact CD2-CG 4.04Å; F149-K163 HydrophobicContact CE1-CB 3.58Å; F149-K163 HydrophobicContact CE1-CG 3.5Å; F149-K163 HydrophobicContact CE2-CG 3.71Å; F149-K163 HydrophobicContact CG-CG 4.1Å; F149-K163 HydrophobicContact CZ-CB 3.82Å; F149-K163 HydrophobicContact CZ-CG 3.42Å; F149-K163 VanDerWaalsContact CZ-CG 3.42Å; L160-K163 PolarHBondContact O-N 2.81Å; L160-K163 VanDerWaalsContact O-N 3.17Å; Q161-K163 PolarHBondContact O-N 3.13Å; Q161-K163 VanDerWaalsContact O-N 3.14Å
164L96.3Very high95.5Very high26 Ų2669.2 Ų69.214%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-103.8129.9175.6-74171.2000111F136 W141 Q161 A172F136-L164 HydrophobicContact CB-CD1 3.93Å; F136-L164 HydrophobicContact CD1-CD1 3.48Å; F136-L164 VanDerWaalsContact CD1-CD1 3.48Å; F136-L164 HydrophobicContact CD2-CD1 3.87Å; F136-L164 HydrophobicContact CE1-CD1 3.84Å; F136-L164 HydrophobicContact CE2-CD1 4.21Å; F136-L164 HydrophobicContact CG-CD1 3.48Å; F136-L164 VanDerWaalsContact CG-CD1 3.48Å; F136-L164 HydrophobicContact CZ-CD1 4.19Å; W141-L164 HydrophobicContact CD2-CD2 3.8Å; W141-L164 HydrophobicContact CE3-CD2 3.65Å; W141-L164 HydrophobicContact CE3-CG 4.15Å; W141-L164 HydrophobicContact CG-CD2 4.46Å; W141-L164 HydrophobicContact CH2-CD1 4.44Å; W141-L164 HydrophobicContact CH2-CD2 3.91Å; W141-L164 HydrophobicContact CH2-CG 4.14Å; W141-L164 HydrophobicContact CZ2-CD2 4.02Å; W141-L164 HydrophobicContact CZ3-CD2 3.73Å; W141-L164 HydrophobicContact CZ3-CG 3.85Å; Q161-L164 HydrophobicContact CG-CD1 4.43Å; Q161-L164 PolarHBondContact O-N 3.33Å; Q161-L164 VanDerWaalsContact O-N 3.15Å; L164-A172 HydrophobicContact CD2-CB 3.56Å
165K96.3Very high95.5Very high91 Ų9169 Ų6940%0.39633%0.332SS..EExtended strand (participates in β ladder)trans-98.2133.3171.7-79.4172.9158.7155.10110S139 E140 D142 R167S139-K165 CarbonylContact C-O 3.45Å; S139-K165 VanDerWaalsContact CA-O 3.28Å; S139-K165 WeakPolarHBondContact CA-O 3.38Å; E140-K165 PolarHBondContact N-O 2.78Å; E140-K165 PolarHBondContact O-N 3.12Å; D142-K165 HydrophobicContact CB-CD 4.42Å; D142-K165 WeakPolarHBondContact OD2-CD 3.4Å; D142-K165 WeakPolarHBondContact OD2-CE 3.41Å; D142-K165 IonicContact OD2-NZ 3.33Å; D142-K165 PolarHBondContact OD2-NZ 2.9Å; K165-R167 PolarHBondContact O-N 3.42Å
166K95.8Very high95.6Very high171 Ų17167 Ų6774%0.74332%0.316SS*.EExtended strand (participates in β ladder)trans-70.9119.7175.6-67.2-63.3-175.7-176.10110.7D138D138-K166 WeakPolarHBondContact O-CA 3.15Å
167R95.3Very high95.5Very high140 Ų14065.8 Ų65.853%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-146108.3-179.5-71.8-61.7-166.1-159.12110.1D138 S139 E140 K165 L170D138-R167 CarbonylContact C-O 2.98Å; D138-R167 WeakPolarHBondContact CA-O 3.44Å; D138-R167 CarbonylContact O-C 3.33Å; D138-R167 PolarHBondContact O-N 2.83Å; S139-R167 PolarHBondContact N-O 3.4Å; E140-R167 HydrophobicContact CB-CB 4.2Å; E140-R167 HydrophobicContact CB-CG 3.98Å; E140-R167 WeakPolarHBondContact OE2-CG 3.25Å; E140-R167 IonicContact OE2-NE 2.65Å; K165-R167 PolarHBondContact O-N 3.42Å; R167-L170 HydrophobicContact CB-CB 4.21Å; R167-L170 HydrophobicContact CB-CD1 4.21Å; R167-L170 PolarHBondContact O-N 2.99Å
168K94.4Very high95.5Very high197 Ų19762.2 Ų62.286%0.85730%0.301SS*.EExtended strand (participates in β ladder)trans-61.1137.9179.3-64.6-174.5179.2-1780110.9D138 L170D138-K168 WeakPolarHBondContact OD1-CA 3.46Å; K168-L170 PolarHBondContact O-N 3.38Å
169G92.7Very high95.5Very high19 Ų1959.2 Ų59.220%0.19628%0.284CS..EExtended strand (participates in β ladder)trans83.7-11.2179.600000114.7G105 S106 D138G105-G169 WeakPolarHBondContact CA-O 2.99Å; S106-G169 PolarHBondContact N-O 3.35Å; S106-G169 WeakPolarHBondContact OG-CA 3.39Å; S106-G169 PolarHBondContact OG-N 2.85Å; S106-G169 VanDerWaalsContact OG-N 3.08Å; D138-G169 PolarHBondContact OD1-N 2.89Å
170L95Very high95.5Very high39 Ų3956.1 Ų56.120%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-98.3152.6174-81.785.7000111.2S106 D138 S139 E140 R167 K168S106-L170 PolarHBondContact OG-O 2.98Å; D138-L170 WeakPolarHBondContact CA-O 3.43Å; D138-L170 PolarHBondContact N-O 2.92Å; S139-L170 PolarHBondContact N-O 3.33Å; S139-L170 CarbonylContact O-C 3.53Å; E140-L170 HydrophobicContact CB-CD2 4.08Å; E140-L170 HydrophobicContact CG-CD2 3.89Å; R167-L170 HydrophobicContact CB-CB 4.21Å; R167-L170 HydrophobicContact CB-CD1 4.21Å; R167-L170 PolarHBondContact O-N 2.99Å; K168-L170 PolarHBondContact O-N 3.38Å
171R95.9Very high95.4Very high2 Ų257.7 Ų57.71%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-129.8129.1171.1-178.9172.8-74.6144-2.4109.8G104 G105 V108 N110 F136 D137 S139 Y173 S181 S182G104-R171 WeakPolarHBondContact O-CB 3.25Å; G104-R171 WeakPolarHBondContact O-CD 3.4Å; G105-R171 PolarHBondContact O-NH1 3.02Å; V108-R171 PolarHBondContact O-NH1 3.46Å; V108-R171 VanDerWaalsContact O-NH1 3.13Å; N110-R171 PolarHBondContact ND2-NH1 2.77Å; N110-R171 PolarHBondContact ND2-NH2 3.45Å; N110-R171 PolarHBondContact OD1-NH1 2.77Å; N110-R171 PolarHBondContact OD1-NH2 3.4Å; F136-R171 WeakPolarHBondContact O-CA 2.82Å; F136-R171 WeakPolarHBondContact O-CG 3.34Å; D137-R171 IonicContact OD1-CZ 3.78Å; D137-R171 IonicContact OD1-NE 2.71Å; D137-R171 PolarHBondContact OD1-NE 3.4Å; D137-R171 IonicContact OD1-NH2 3.11Å; D137-R171 PolarHBondContact OD1-NH2 2.7Å; D137-R171 IonicContact OD2-NH2 3.04Å; S139-R171 CarbonylContact O-C 3.52Å; R171-Y173 HydrophobicContact CB-CE2 3.88Å; R171-Y173 WeakPolarHBondContact CD-OH 3.37Å; R171-Y173 HydrophobicContact CG-CD2 4.16Å; R171-Y173 HydrophobicContact CG-CE1 4.37Å; R171-Y173 HydrophobicContact CG-CE2 3.59Å; R171-Y173 WeakPolarHBondContact O-CD2 3.26Å; R171-S181 WeakPolarHBondContact O-CA 3.42Å; R171-S182 PolarHBondContact N-O 2.77Å; R171-S182 PolarHBondContact O-N 3.33Å
172A96.6Very high95.4Very high0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-93.6133.5174.400000109.6M135 F136 S139 W141 L164M135-A172 CarbonylContact C-O 3.48Å; M135-A172 WeakPolarHBondContact CA-O 3.27Å; F136-A172 HydrophobicContact CB-CB 4.29Å; F136-A172 PolarHBondContact N-O 3.02Å; F136-A172 PolarHBondContact O-N 3.03Å; S139-A172 WeakPolarHBondContact O-CB 3.4Å; S139-A172 PolarHBondContact O-N 2.9Å; W141-A172 HydrophobicContact CD2-CB 4.43Å; W141-A172 HydrophobicContact CG-CB 4.32Å; W141-A172 HydrophobicContact CZ2-CB 4.46Å; L164-A172 HydrophobicContact CD2-CB 3.56Å
173Y96.3Very high95.3Very high0 Ų051.9 Ų51.90%025%0.248CC..EExtended strand (participates in β ladder)trans-121140.8179-63.5-96.2000109.3I103 G104 V133 L134 M135 W141 R171 W179 F180 W196I103-Y173 HydrophobicContact CB-CE2 4.45Å; I103-Y173 HydrophobicContact CG2-CE1 4.34Å; G104-Y173 PolarHBondContact N-OH 3.26Å; G104-Y173 WeakPolarHBondContact O-CE2 3.3Å; G104-Y173 PolarHBondContact O-OH 3.22Å; V133-Y173 HydrophobicContact CG1-CD1 4.24Å; L134-Y173 CarbonylContact O-C 3.58Å; L134-Y173 VanDerWaalsContact O-CA 3.28Å; L134-Y173 WeakPolarHBondContact O-CA 3.21Å; M135-Y173 HydrophobicContact CG-CD1 3.69Å; M135-Y173 HydrophobicContact CG-CE1 3.69Å; M135-Y173 HydrophobicContact SD-CD1 4.36Å; M135-Y173 HydrophobicContact SD-CE1 3.79Å; W141-Y173 PolarHBondContact NE1-O 2.89Å; R171-Y173 HydrophobicContact CB-CE2 3.88Å; R171-Y173 WeakPolarHBondContact CD-OH 3.37Å; R171-Y173 HydrophobicContact CG-CD2 4.16Å; R171-Y173 HydrophobicContact CG-CE1 4.37Å; R171-Y173 HydrophobicContact CG-CE2 3.59Å; R171-Y173 WeakPolarHBondContact O-CD2 3.26Å; Y173-W179 CarbonylContact O-C 3.56Å; Y173-W179 WeakPolarHBondContact O-CA 3.41Å; Y173-F180 HydrophobicContact CD2-CD1 4.49Å; Y173-F180 PolarHBondContact N-O 3.41Å; Y173-F180 PolarHBondContact O-N 3.25Å; Y173-W196 HydrophobicContact CD1-CZ3 4.29Å; Y173-W196 HydrophobicContact CG-CH2 4.37Å; Y173-W196 HydrophobicContact CG-CZ3 4.07Å
174A96.7Very high95.1Very high0 Ų056 Ų560%027%0.268CS..EExtended strand (participates in β ladder)trans-154.9148.4175.600000114V133 L134 W141 L150 N178 W179V133-A174 CarbonylContact C-O 3.48Å; V133-A174 WeakPolarHBondContact CA-O 3.32Å; L134-A174 PolarHBondContact N-O 2.98Å; L134-A174 PolarHBondContact O-N 3.37Å; W141-A174 HydrophobicContact CH2-CB 4.03Å; W141-A174 HydrophobicContact CZ2-CB 3.26Å; L150-A174 HydrophobicContact CD2-CB 3.54Å; A174-N178 WeakPolarHBondContact CA-O 3.44Å; A174-W179 HydrophobicContact CB-CB 4.27Å
175C95.8Very high94.9Very high0 Ų057.5 Ų57.50%028%0.278CS..EExtended strand (participates in β ladder)trans-126.7-177.2158.865.80000108.9C126 C129 V133 L150 C177 N178C126-C175 HydrophobicContact CB-CB 3.79Å; C129-C175 VanDerWaalsContact SG-SG 3.67Å; V133-C175 HydrophobicContact CG2-CB 4.46Å; L150-C175 VanDerWaalsContact CD2-O 3.25Å; L150-C175 WeakPolarHBondContact CD2-O 3.41Å; C175-C177 PolarHBondContact O-N 3.31Å; C175-C177 VanDerWaalsContact O-N 3.12Å; C175-C177 VanDerWaalsContact SG-SG 3.6Å; C175-N178 PolarHBondContact N-O 2.94Å; C175-N178 PolarHBondContact SG-N 3.49Å
176Q95.6Very high94.7Very high41 Ų4154.7 Ų54.719%0.19227%0.269CS..THydrogen-bonded Turntrans-59.8-26.2-178.4-87-169.31.100114.3C129 F131 R151 V154C129-Q176 HydrophobicContact CB-CB 4.06Å; F131-Q176 HydrophobicContact CD2-CB 4.03Å; F131-Q176 VanDerWaalsContact CD2-CD 3.44Å; F131-Q176 HydrophobicContact CD2-CG 3.73Å; F131-Q176 HydrophobicContact CE2-CG 3.96Å; F131-Q176 VanDerWaalsContact CE2-NE2 3.3Å; F131-Q176 HydrophobicContact CG-CG 4.18Å; R151-Q176 PolarHBondContact N-O 3.12Å; V154-Q176 HydrophobicContact CB-CB 4.46Å; V154-Q176 HydrophobicContact CB-CG 3.61Å; V154-Q176 HydrophobicContact CG1-CG 3.76Å; V154-Q176 PolarHBondContact O-NE2 2.87Å
177C94.3Very high94.4Very high36 Ų3647.2 Ų47.224%0.24324%0.237CC..THydrogen-bonded Turntrans-114.8-6.7-171.670.60000114.9C129 Y147 C175C129-C177 HydrophobicContact CB-CB 4.23Å; C129-C177 VanDerWaalsContact SG-SG 3.63Å; Y147-C177 HydrophobicContact CE2-CB 4.21Å; C175-C177 PolarHBondContact O-N 3.31Å; C175-C177 VanDerWaalsContact O-N 3.12Å; C175-C177 VanDerWaalsContact SG-SG 3.6Å
178N94.9Very high94.2Very high36 Ų3641.3 Ų41.319%0.19322%0.216CC..EExtended strand (participates in β ladder)trans-156.4150.5-177.4-153.5-10.2000111.4A174 C175 Q193A174-N178 WeakPolarHBondContact CA-O 3.44Å; C175-N178 PolarHBondContact N-O 2.94Å; C175-N178 PolarHBondContact SG-N 3.49Å; N178-Q193 PolarHBondContact ND2-O 2.97Å
179W95.4Very high93.9Very high83 Ų8340.6 Ų40.631%0.31421%0.208SC..EExtended strand (participates in β ladder)trans-140.3150.7178.266.2100.5000111W141 C145 L150 Y173 A174W141-W179 AromaticContact CD1-CD1 3.8Å; W141-W179 HydrophobicContact CD2-CB 4.38Å; W141-W179 HydrophobicContact CG-CB 4.28Å; W141-W179 AromaticContact CG-CD1 3.75Å; W141-W179 HydrophobicContact CG-CG 4.35Å; C145-W179 WeakPolarHBondContact O-CZ2 3.34Å; L150-W179 HydrophobicContact CD1-CB 4.38Å; L150-W179 HydrophobicContact CD1-CD2 3.83Å; L150-W179 HydrophobicContact CD1-CE3 3.54Å; L150-W179 HydrophobicContact CD1-CG 4.22Å; L150-W179 HydrophobicContact CD1-CZ3 4.11Å; L150-W179 HydrophobicContact CD2-CB 3.68Å; L150-W179 HydrophobicContact CD2-CE3 4.21Å; L150-W179 HydrophobicContact CD2-CG 4.36Å; L150-W179 HydrophobicContact CG-CE3 4.44Å; Y173-W179 CarbonylContact O-C 3.56Å; Y173-W179 WeakPolarHBondContact O-CA 3.41Å; A174-W179 HydrophobicContact CB-CB 4.27Å
180F95Very high93.8Very high43 Ų4345 Ų4519%0.18923%0.226CC..EExtended strand (participates in β ladder)trans-154.2146.5-177.1-176.3-114.2000111I103 Y173 L194 W196I103-F180 HydrophobicContact CD1-CD1 3.79Å; I103-F180 HydrophobicContact CD1-CE1 3.55Å; I103-F180 HydrophobicContact CG1-CE1 4.5Å; Y173-F180 HydrophobicContact CD2-CD1 4.49Å; Y173-F180 PolarHBondContact N-O 3.41Å; Y173-F180 PolarHBondContact O-N 3.25Å; F180-L194 HydrophobicContact CB-CD1 3.95Å; F180-L194 HydrophobicContact CB-CD2 3.84Å; F180-L194 HydrophobicContact CD1-CD1 3.68Å; F180-L194 HydrophobicContact CD2-CD1 4.16Å; F180-L194 HydrophobicContact CE1-CD1 4.17Å; F180-L194 HydrophobicContact CG-CD1 3.66Å; F180-L194 HydrophobicContact CG-CD2 4.29Å; F180-W196 HydrophobicContact CB-CH2 3.94Å; F180-W196 HydrophobicContact CB-CZ3 4.5Å
181S95.5Very high93.6Very high32 Ų3245.2 Ų45.222%0.22423%0.227CC..EExtended strand (participates in β ladder)trans-123.9134.1172.9-55.40000108.8W141 R171W141-S181 PolarHBondContact N-OG 3.11Å; W141-S181 VanDerWaalsContact N-OG 3.13Å; R171-S181 WeakPolarHBondContact O-CA 3.42Å
182S94.1Very high93.2Very high12 Ų1250 Ų508%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-134.9143.1176.5-156.30000111G105 R171 E184G105-S182 WeakPolarHBondContact CA-O 3.37Å; G105-S182 PolarHBondContact N-O 3.17Å; R171-S182 PolarHBondContact N-O 2.77Å; R171-S182 PolarHBondContact O-N 3.33Å; S182-E184 PolarHBondContact OG-O 2.93Å
183S94Very high92.8Very high65 Ų6554.7 Ų54.746%0.45528%0.28SS..SBendtrans-96.7-45.4164.550.50000110.8G105G105-S183 VanDerWaalsContact CA-O 3.28Å; G105-S183 WeakPolarHBondContact CA-O 3.04Å; G105-S183 PolarHBondContact N-O 2.92Å; G105-S183 VanDerWaalsContact N-O 3.08Å
184E91.8Very high92.5Very high143 Ų14354.9 Ų54.967%0.66828%0.281SS*.SBendtrans-86.9157.3-175.9-66.2-177.4-171.700112.8G104 S182 T186G104-E184 WeakPolarHBondContact CA-O 3.35Å; S182-E184 PolarHBondContact OG-O 2.93Å; E184-T186 PolarHBondContact O-N 3.49Å
185T91.2Very high92.3Very high57 Ų5762.5 Ų62.535%0.3531%0.31SS..  trans-80.5116.8174.5-49.50000109.8F102 I103 V108F102-T185 HydrophobicContact CB-CG2 3.88Å; F102-T185 HydrophobicContact CD1-CG2 4.15Å; F102-T185 HydrophobicContact CG-CG2 4.16Å; I103-T185 CarbonylContact O-C 3.36Å; I103-T185 WeakPolarHBondContact O-CA 3.49Å; V108-T185 HydrophobicContact CG1-CG2 4.46Å; V108-T185 WeakPolarHBondContact CG2-OG1 3.11Å
186T91.6Very high92.2Very high32 Ų3263.1 Ų63.120%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-125.2140.5-177.9-56.40000109.9F102 I103 E184 N190 Q191F102-T186 WeakPolarHBondContact CA-O 3.49Å; I103-T186 PolarHBondContact N-O 2.87Å; I103-T186 PolarHBondContact O-N 3.29Å; I103-T186 VanDerWaalsContact O-O 3.13Å; E184-T186 PolarHBondContact O-N 3.49Å; T186-N190 HydrophobicContact CG2-CB 4.09Å; T186-Q191 HydrophobicContact CG2-CG 4.3Å
187D90.4Very high92Very high15 Ų1563.5 Ų63.58%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-69.5131.3171.4-165.6-45000109.3F102 R189 N190F102-D187 HydrophobicContact CD1-CB 4.06Å; F102-D187 HydrophobicContact CE1-CB 3.96Å; D187-R189 VanDerWaalsContact CG-NE 3.34Å; D187-R189 PolarHBondContact O-N 3.04Å; D187-R189 VanDerWaalsContact O-N 3.13Å; D187-R189 VanDerWaalsContact OD1-CB 3.3Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.1Å; D187-R189 PolarHBondContact OD1-N 3.08Å; D187-R189 IonicContact OD1-NE 2.84Å; D187-R189 PolarHBondContact OD1-NE 3.35Å; D187-R189 VanDerWaalsContact OD1-NE 3.11Å; D187-R189 IonicContact OD2-CZ 2.99Å; D187-R189 IonicContact OD2-NE 2.73Å; D187-R189 PolarHBondContact OD2-NE 3.49Å; D187-R189 IonicContact OD2-NH2 3.11Å; D187-R189 PolarHBondContact OD2-NH2 2.99Å; D187-N190 WeakPolarHBondContact O-CB 3.42Å; D187-N190 PolarHBondContact O-N 3.29Å
188L90.8Very high91.6Very high15 Ų1562.6 Ų62.68%0.07931%0.308CS..G310 helixtrans-59.8-25.4179.9-170.962000112.2V101 I103 L124 N190 Q191 L194 W196V101-L188 HydrophobicContact CB-CB 4.17Å; V101-L188 HydrophobicContact CB-CD2 4.26Å; V101-L188 HydrophobicContact CG1-CB 4.31Å; V101-L188 HydrophobicContact CG1-CD2 3.86Å; V101-L188 WeakPolarHBondContact O-CB 3.28Å; V101-L188 PolarHBondContact O-N 2.82Å; I103-L188 HydrophobicContact CD1-CD1 4.15Å; I103-L188 HydrophobicContact CG2-CD1 4.19Å; L124-L188 HydrophobicContact CD2-CD2 4.26Å; L188-N190 PolarHBondContact O-N 3.17Å; L188-Q191 CarbonylContact O-C 3.55Å; L188-Q191 PolarHBondContact O-N 3.2Å; L188-L194 HydrophobicContact CD1-CB 3.92Å; L188-L194 HydrophobicContact CD1-CD1 4.4Å; L188-W196 HydrophobicContact CD1-CB 4.42Å; L188-W196 HydrophobicContact CD1-CE3 4.33Å; L188-W196 HydrophobicContact CD2-CB 4.03Å; L188-W196 WeakPolarHBondContact CD2-O 3.49Å
189R88.2Confident90.4Very high183 Ų18363.8 Ų63.869%0.69131%0.312SS*.G310 helixtrans-60.4-25.5173.3-65.5179.1-69.2166.61.9113.3D187 Q191D187-R189 VanDerWaalsContact CG-NE 3.34Å; D187-R189 PolarHBondContact O-N 3.04Å; D187-R189 VanDerWaalsContact O-N 3.13Å; D187-R189 VanDerWaalsContact OD1-CB 3.3Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.1Å; D187-R189 PolarHBondContact OD1-N 3.08Å; D187-R189 IonicContact OD1-NE 2.84Å; D187-R189 PolarHBondContact OD1-NE 3.35Å; D187-R189 VanDerWaalsContact OD1-NE 3.11Å; D187-R189 IonicContact OD2-CZ 2.99Å; D187-R189 IonicContact OD2-NE 2.73Å; D187-R189 PolarHBondContact OD2-NE 3.49Å; D187-R189 IonicContact OD2-NH2 3.11Å; D187-R189 PolarHBondContact OD2-NH2 2.99Å; R189-Q191 PolarHBondContact O-N 3.18Å
190N90.5Very high88.5Confident110 Ų11065.1 Ų65.159%0.58832%0.321SS*.G310 helixtrans-82.7-3.3177-59.8-15.2000112.5T186 D187 L188 P192T186-N190 HydrophobicContact CG2-CB 4.09Å; D187-N190 WeakPolarHBondContact O-CB 3.42Å; D187-N190 PolarHBondContact O-N 3.29Å; L188-N190 PolarHBondContact O-N 3.17Å; N190-P192 VanDerWaalsContact C-CD 3.48Å
191Q90.5Very high86.1Confident45 Ų4570.5 Ų70.521%0.2135%0.35CS..  trans-127.765.8-178.2-60.2-64.6-21.700110.3I103 T186 L188 R189 Q193 L194I103-Q191 HydrophobicContact CD1-CG 4.37Å; T186-Q191 HydrophobicContact CG2-CG 4.3Å; L188-Q191 CarbonylContact O-C 3.55Å; L188-Q191 PolarHBondContact O-N 3.2Å; R189-Q191 PolarHBondContact O-N 3.18Å; Q191-Q193 VanDerWaalsContact CA-OE1 3.31Å; Q191-Q193 PolarHBondContact O-N 3.46Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q191-L194 HydrophobicContact CB-CB 4.31Å; Q191-L194 HydrophobicContact CB-CD1 3.74Å; Q191-L194 HydrophobicContact CB-CG 4Å; Q191-L194 HydrophobicContact CG-CD1 4.25Å; Q191-L194 WeakPolarHBondContact O-CB 3.39Å; Q191-L194 PolarHBondContact O-N 3.22Å
192P87.2Confident83.3Confident102 Ų10278.9 Ų78.966%0.66238%0.383SS*.THydrogen-bonded Turntrans-63.2-20.2-173.727.2-36000113.9N190 L194N190-P192 VanDerWaalsContact C-CD 3.48Å; P192-L194 VanDerWaalsContact C-N 3.26Å; P192-L194 PolarHBondContact O-N 3.34Å
193Q90.1Very high80.4Confident98 Ų9880.7 Ų80.746%0.45840%0.395SS..THydrogen-bonded Turntrans-68-28.8173.177.1-77.815.900112.4N178 Q191 R195N178-Q193 PolarHBondContact ND2-O 2.97Å; Q191-Q193 VanDerWaalsContact CA-OE1 3.31Å; Q191-Q193 PolarHBondContact O-N 3.46Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.34Å
194L89.6Confident77.6Confident5 Ų582.2 Ų82.23%0.02640%0.403CS..SBendtrans-81.681.1171.2-52.4179000106.5I103 F180 L188 Q191 P192 W196I103-L194 HydrophobicContact CD1-CD1 3.65Å; F180-L194 HydrophobicContact CB-CD1 3.95Å; F180-L194 HydrophobicContact CB-CD2 3.84Å; F180-L194 HydrophobicContact CD1-CD1 3.68Å; F180-L194 HydrophobicContact CD2-CD1 4.16Å; F180-L194 HydrophobicContact CE1-CD1 4.17Å; F180-L194 HydrophobicContact CG-CD1 3.66Å; F180-L194 HydrophobicContact CG-CD2 4.29Å; L188-L194 HydrophobicContact CD1-CB 3.92Å; L188-L194 HydrophobicContact CD1-CD1 4.4Å; Q191-L194 HydrophobicContact CB-CB 4.31Å; Q191-L194 HydrophobicContact CB-CD1 3.74Å; Q191-L194 HydrophobicContact CB-CG 4Å; Q191-L194 HydrophobicContact CG-CD1 4.25Å; Q191-L194 WeakPolarHBondContact O-CB 3.39Å; Q191-L194 PolarHBondContact O-N 3.22Å; P192-L194 VanDerWaalsContact C-N 3.26Å; P192-L194 PolarHBondContact O-N 3.34Å; L194-W196 HydrophobicContact CB-CD2 3.98Å; L194-W196 HydrophobicContact CB-CE3 4.06Å; L194-W196 HydrophobicContact CB-CG 4.36Å; L194-W196 HydrophobicContact CB-CZ3 4.43Å; L194-W196 HydrophobicContact CD1-CE3 4.33Å; L194-W196 HydrophobicContact CD1-CH2 4.35Å; L194-W196 HydrophobicContact CD1-CZ3 4Å; L194-W196 HydrophobicContact CD2-CH2 3.95Å; L194-W196 HydrophobicContact CD2-CZ2 3.96Å; L194-W196 HydrophobicContact CD2-CZ3 4.35Å; L194-W196 HydrophobicContact CG-CZ3 4.49Å; L194-W196 PolarHBondContact O-N 3.34Å
195R92.3Very high74.8Confident159 Ų15980.3 Ų80.360%0.640%0.404SS*.  trans-68.857.1176.1-62.3179.5-175.9176.62.5110.6C126 N127 S128 Q193C126-R195 CarbonylContact C-O 3.59Å; N127-R195 HydrophobicContact CB-CB 4.37Å; N127-R195 WeakPolarHBondContact CB-O 3.35Å; N127-R195 PolarHBondContact N-O 3.44Å; N127-R195 PolarHBondContact OD1-O 3.32Å; S128-R195 VanDerWaalsContact OG-CD 3.32Å; S128-R195 WeakPolarHBondContact OG-CD 3.36Å; Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.34Å
196W93.4Very high72.4Confident13 Ų1384.3 Ų84.35%0.04943%0.428CS..EExtended strand (participates in β ladder)trans-107.5146.4-177-59-15.9000108.9L124 R125 V133 Y173 F180 L188 L194L124-W196 HydrophobicContact CD1-CE3 4.42Å; R125-W196 CarbonylContact O-C 3.58Å; R125-W196 VanDerWaalsContact O-CA 3.27Å; R125-W196 WeakPolarHBondContact O-CA 3.33Å; V133-W196 HydrophobicContact CG1-CD2 4.16Å; V133-W196 HydrophobicContact CG1-CE3 4.03Å; V133-W196 HydrophobicContact CG1-CH2 3.98Å; V133-W196 HydrophobicContact CG1-CZ2 4.08Å; V133-W196 HydrophobicContact CG1-CZ3 3.94Å; V133-W196 HydrophobicContact CG2-CB 4.27Å; V133-W196 HydrophobicContact CG2-CD2 3.65Å; V133-W196 HydrophobicContact CG2-CE3 4.22Å; V133-W196 HydrophobicContact CG2-CG 3.66Å; Y173-W196 HydrophobicContact CD1-CZ3 4.29Å; Y173-W196 HydrophobicContact CG-CH2 4.37Å; Y173-W196 HydrophobicContact CG-CZ3 4.07Å; F180-W196 HydrophobicContact CB-CH2 3.94Å; F180-W196 HydrophobicContact CB-CZ3 4.5Å; L188-W196 HydrophobicContact CD1-CB 4.42Å; L188-W196 HydrophobicContact CD1-CE3 4.33Å; L188-W196 HydrophobicContact CD2-CB 4.03Å; L188-W196 WeakPolarHBondContact CD2-O 3.49Å; L194-W196 HydrophobicContact CB-CD2 3.98Å; L194-W196 HydrophobicContact CB-CE3 4.06Å; L194-W196 HydrophobicContact CB-CG 4.36Å; L194-W196 HydrophobicContact CB-CZ3 4.43Å; L194-W196 HydrophobicContact CD1-CE3 4.33Å; L194-W196 HydrophobicContact CD1-CH2 4.35Å; L194-W196 HydrophobicContact CD1-CZ3 4Å; L194-W196 HydrophobicContact CD2-CH2 3.95Å; L194-W196 HydrophobicContact CD2-CZ2 3.96Å; L194-W196 HydrophobicContact CD2-CZ3 4.35Å; L194-W196 HydrophobicContact CG-CZ3 4.49Å; L194-W196 PolarHBondContact O-N 3.34Å
197N90.6Very high69.9Low49 Ų4987.3 Ų87.326%0.26245%0.45SS..EExtended strand (participates in β ladder)trans-134.7173.8177.871.434.8000109.5L124 R125 N127L124-N197 CarbonylContact C-O 3.5Å; L124-N197 VanDerWaalsContact CA-O 3.22Å; L124-N197 WeakPolarHBondContact CA-O 3.22Å; R125-N197 PolarHBondContact N-O 3.1Å; R125-N197 PolarHBondContact O-N 2.86Å; R125-N197 PolarHBondContact O-OD1 2.92Å; N127-N197 WeakPolarHBondContact OD1-CB 3.4Å; N127-N197 PolarHBondContact OD1-ND2 2.98Å
198I86.6Confident67.6Low18 Ų1890.3 Ų90.39%0.09247%0.472CS..EExtended strand (participates in β ladder)trans-81.8131.3168.4-57.2153.4000107.5K97 C98 V101 Q123 F200K97-I198 HydrophobicContact CB-CD1 4.36Å; C98-I198 HydrophobicContact CB-CD1 3.65Å; C98-I198 HydrophobicContact CB-CG1 4.22Å; C98-I198 WeakPolarHBondContact O-CD1 3.05Å; V101-I198 HydrophobicContact CG1-CG1 4.27Å; V101-I198 HydrophobicContact CG2-CD1 3.53Å; V101-I198 HydrophobicContact CG2-CG1 3.83Å; Q123-I198 HydrophobicContact CB-CG2 4.33Å; Q123-I198 CarbonylContact O-C 3.52Å; Q123-I198 WeakPolarHBondContact O-CA 3.23Å; I198-F200 WeakPolarHBondContact O-CD2 3.32Å; I198-F200 PolarHBondContact O-N 3.43Å
199H69.3Low65.4Low60 Ų6097.1 Ų97.128%0.27851%0.508SS..  trans-60.2109.7174-174.6-128.2000110.2Q123 R125 L201Q123-H199 PolarHBondContact O-N 2.78Å; R125-H199 HydrophobicContact CB-CB 4.14Å; R125-H199 WeakPolarHBondContact CD-CD2 3.27Å; R125-H199 PolarHBondContact NH1-CD2 2.99Å; R125-H199 PolarHBondContact NH1-NE2 2.68Å; H199-L201 PolarHBondContact O-N 3.43Å
200F56.4Low63Low112 Ų11296.4 Ų96.449%0.49151%0.512SS..  trans-77.5114.3175.2-68.6-77.3000110.2I198 C203I198-F200 WeakPolarHBondContact O-CD2 3.32Å; I198-F200 PolarHBondContact O-N 3.43Å; F200-C203 HydrophobicContact CD1-CB 3.23Å; F200-C203 HydrophobicContact CE1-CB 3.21Å; F200-C203 HydrophobicContact CG-CB 4.4Å; F200-C203 HydrophobicContact CZ-CB 4.37Å
201L44.4Very low60.6Low156 Ų15693.4 Ų93.482%0.81750%0.5SS*.SBendtrans-89.295.6138.6-68.3175.5000105.5H199H199-L201 PolarHBondContact O-N 3.43Å
202F35.4Very low58.2Low208 Ų20899 Ų9991%0.91253%0.525SS*.  trans53.798176.5-98.8-102.5000116.8
203C35Very low56Low49 Ų49103.3 Ų103.333%0.33153%0.53SS..  trans-119.6121.2148.2-168.20000107.2K97 F200K97-C203 PolarHBondContact NZ-SG 3.25Å; K97-C203 VanDerWaalsContact NZ-SG 3.4Å; F200-C203 HydrophobicContact CD1-CB 3.23Å; F200-C203 HydrophobicContact CE1-CB 3.21Å; F200-C203 HydrophobicContact CG-CB 4.4Å; F200-C203 HydrophobicContact CZ-CB 4.37Å
204P33.4Very low53.7Low97 Ų97102.6 Ų102.663%0.6354%0.536SS*.  trans-61.6154.8171.826.7-31.6000109.8
205P32.8Very low51.6Low104 Ų104111.1 Ų111.168%0.67557%0.568SS**  trans-59.1153.3-17421.8-31.4000112.6S207P205-S207 PolarHBondContact O-N 2.76Å
206V42.3Very low49.4Very low141 Ų141110.4 Ų110.486%0.85557%0.569SS**SBendtrans-69.541.8176.9141.50000112.3S208V206-S208 VanDerWaalsContact C-N 3.33Å
207S38.5Very low47.2Very low95 Ų95113 Ų11366%0.66459%0.589SS**  trans-89.72.6165.746.80000112.9P205P205-S207 PolarHBondContact O-N 2.76Å
208S41.5Very low45Very low78 Ų78119.8 Ų119.855%0.54561%0.611SS.*THydrogen-bonded Turntrans-102.742.4-178.3-176.60000113.9V206 S211V206-S208 VanDerWaalsContact C-N 3.33Å; S208-S211 WeakPolarHBondContact OG-CB 3.22Å
209L45.1Very low43.2Very low157 Ų157123.6 Ų123.682%0.82264%0.635SS**THydrogen-bonded Turntrans-90.7-8.5157.2-111.2137.7000112.7
210E37.8Very low42.2Very low169 Ų169126.5 Ų126.579%0.7965%0.65SS**SBendtrans-91.7-7167.7-75.2-175.6112.900114H212 Y213E210-H212 PolarHBondContact O-N 3.02Å; E210-Y213 PolarHBondContact O-N 3.3Å
211S40.2Very low41.8Very low47 Ų47129.5 Ų129.533%0.32966%0.658SS.*Hα-helixtrans-819.5178.4-143.60000114.2S208 Y213S208-S211 WeakPolarHBondContact OG-CB 3.22Å; S211-Y213 VanDerWaalsContact C-N 3.28Å
212H40.4Very low41.9Very low161 Ų161128.4 Ų128.475%0.74565%0.652SS**Hα-helixtrans-79.8-10.5163.5-108.9-97.6000113E210E210-H212 PolarHBondContact O-N 3.02Å
213Y41.7Very low42.3Very low194 Ų194124.1 Ų124.176%0.76164%0.638SS**Hα-helixtrans-92.4-27.9174.8-159.2-100.7000113.4E210 S211E210-Y213 PolarHBondContact O-N 3.3Å; S211-Y213 VanDerWaalsContact C-N 3.28Å
214S41.5Very low42.9Very low83 Ų83130.1 Ų130.158%0.5866%0.658SS**Hα-helixtrans-95.7-8.4-174.9-158.60000115.6
215R45.8Very low43.6Very low184 Ų184136.7 Ų136.769%0.69467%0.671SS**SBendtrans-78.6-17.8171.3-76.3-178.7177.4-179.3-0.7113.7S217 V219R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 3.35Å; R215-V219 PolarHBondContact O-N 3.08Å
216K45.5Very low44Very low144 Ų144135.8 Ų135.863%0.62667%0.667SS**Hα-helixtrans-64.5-28.9173.4-70.6-174.7178.6-179.70112.3M220K216-M220 VanDerWaalsContact O-CB 3.22Å; K216-M220 WeakPolarHBondContact O-CB 3.31Å; K216-M220 VanDerWaalsContact O-CG 3.27Å; K216-M220 WeakPolarHBondContact O-CG 3.19Å; K216-M220 PolarHBondContact O-N 3.02Å
217S46.2Very low44.4Very low66 Ų66140.2 Ų140.246%0.46267%0.668SS.*Hα-helixtrans-79.7-18.3-176.5-71.30000115.4R215 R221R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 3.35Å; S217-R221 PolarHBondContact O-NE 3.49Å; S217-R221 VanDerWaalsContact O-NE 3.08Å
218R45.8Very low45Very low193 Ų193147.5 Ų147.573%0.72868%0.681SS**Hα-helixtrans-91.4-36.6174.1-124.8179.2-164-177.95.3112R221 L222R218-R221 PolarHBondContact O-N 3.37Å; R218-L222 PolarHBondContact O-N 3.12Å
219V48.4Very low45.1Very low98 Ų98146.9 Ų146.959%0.59469%0.687SS**Hα-helixtrans-70.9-37.4174.9-179.10000111.3R215 R221 L222 L223R215-V219 PolarHBondContact O-N 3.08Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.18Å; V219-L222 PolarHBondContact O-N 3.21Å; V219-L223 PolarHBondContact O-N 2.87Å
220M47.3Very low45.3Very low120 Ų120150.3 Ų150.359%0.59169%0.689SS**Hα-helixtrans-67.4-22.9172.3-78.9-78-100.500113.8K216 K224K216-M220 VanDerWaalsContact O-CB 3.22Å; K216-M220 WeakPolarHBondContact O-CB 3.31Å; K216-M220 VanDerWaalsContact O-CG 3.27Å; K216-M220 WeakPolarHBondContact O-CG 3.19Å; K216-M220 PolarHBondContact O-N 3.02Å; M220-K224 PolarHBondContact O-N 3.18Å
221R48.5Very low46Very low176 Ų176152 Ų15266%0.66469%0.694SS**Hα-helixtrans-79.2-29.7174-98.3-177.7-83.8171.6-13.6112.9S217 R218 V219S217-R221 PolarHBondContact O-NE 3.49Å; S217-R221 VanDerWaalsContact O-NE 3.08Å; R218-R221 PolarHBondContact O-N 3.37Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.18Å
222L45.8Very low46.6Very low133 Ų133155.2 Ų155.270%0.69671%0.711SS**Hα-helixtrans-80.9-29.3172.7-77.2161.2000112.3R218 V219 R225R218-L222 PolarHBondContact O-N 3.12Å; V219-L222 PolarHBondContact O-N 3.21Å; L222-R225 PolarHBondContact O-N 3.28Å
223L45.7Very low47.3Very low117 Ų117152.3 Ų152.361%0.61371%0.705SS**Hα-helixtrans-76.4-21.3175.7-144.674.4000113.8V219 R225V219-L223 PolarHBondContact O-N 2.87Å; L223-R225 VanDerWaalsContact C-N 3.31Å
224K47.2Very low47.9Very low175 Ų175146.6 Ų146.676%0.76170%0.698SS**THydrogen-bonded Turntrans-77-12.1172.5-87.7-178.2176.7179.80114.3M220M220-K224 PolarHBondContact O-N 3.18Å
225R47.2Very low48.4Very low235 Ų235145.7 Ų145.789%0.88770%0.696SS**THydrogen-bonded Turntrans-97.6-3.8178.7-121.1173.3176.2177.9-2.4114.3L222 L223L222-R225 PolarHBondContact O-N 3.28Å; L223-R225 VanDerWaalsContact C-N 3.31Å
226S41.5Very low48.8Very low86 Ų86141.4 Ų141.460%0.60169%0.69SS**  trans-108.143.9175.4-166.20000112.4R228S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.41Å
227R50.1Low49.2Very low234 Ų234139.9 Ų139.988%0.88369%0.686SS**  trans-90.861159.7-98.7-172.6172.6-179-2109.4
228R52.4Low49.6Very low248 Ų248143.7 Ų143.794%0.93670%0.697SS**SBendtrans-167.283.3162.3-106.2176.3-159.4-177.45.1107.5S226S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.41Å
229G42Very low50.1Low64 Ų64144.2 Ų144.266%0.6670%0.699SS**SBendtrans154.785.9173.300000115.3
230R50.3Low50.3Low230 Ų230143.4 Ų143.487%0.86870%0.697SS**  trans40.3106.7147-65.2178.5-164.8177.95119.7T232R230-T232 PolarHBondContact O-N 3.43Å
231K52Low50.9Low205 Ų205144.1 Ų144.189%0.89170%0.7SS**SBend46.956.3124-57.1-174.4-179.8-176.50118.6
232T52.7Low51.4Low114 Ų114139 Ų13970%0.69970%0.696SS**  trans-142.58.7156.247.60000113.5R230R230-T232 PolarHBondContact O-N 3.43Å
233T56.1Low51.9Low99 Ų99141.9 Ų141.961%0.60770%0.697SS**Hα-helixtrans-81.9-17.6-169.450.10000115.3M237T233-M237 PolarHBondContact O-N 3.01Å
234A54.1Low52.3Low74 Ų74139 Ų13961%0.61269%0.69SS**Hα-helixtrans-72.6-47.3-175.300000112.6V236 M237 E238A234-V236 VanDerWaalsContact C-N 3.27Å; A234-V236 PolarHBondContact O-N 3.02Å; A234-M237 PolarHBondContact O-N 3.29Å; A234-E238 PolarHBondContact O-N 3.17Å
235A52.3Low52.9Low65 Ų65132.7 Ų132.754%0.53768%0.675SS.*Hα-helixtrans-66.7-28.5-179.900000113.2R239A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.46Å
236V53.6Low53.3Low94 Ų94125.3 Ų125.357%0.5766%0.659SS**Hα-helixtrans-76.4-38.7176.2-178.60000110.8A234 C240A234-V236 VanDerWaalsContact C-N 3.27Å; A234-V236 PolarHBondContact O-N 3.02Å; V236-C240 WeakPolarHBondContact O-CB 3.37Å; V236-C240 PolarHBondContact O-N 3.21Å; V236-C240 PolarHBondContact O-SG 2.73Å
237M54.8Low53.7Low112 Ų112124.3 Ų124.355%0.55265%0.651SS**Hα-helixtrans-65.8-41.9174.2-80.4-170.6-161.800112.5T233 A234 C240 M241T233-M237 PolarHBondContact O-N 3.01Å; A234-M237 PolarHBondContact O-N 3.29Å; M237-C240 PolarHBondContact O-N 3.09Å; M237-M241 WeakPolarHBondContact O-CG 3.4Å; M237-M241 PolarHBondContact O-N 3.3Å
238E54Low53.7Low145 Ų145118.9 Ų118.968%0.67864%0.636SS**Hα-helixtrans-62.1-44.6176.9-92.8-156.1144.300112.2A234 C240 M241 A242A234-E238 PolarHBondContact O-N 3.17Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.27Å; E238-M241 PolarHBondContact O-N 2.59Å; E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 3.13Å
239R55.6Low53.8Low205 Ų205113.2 Ų113.277%0.77462%0.62SS**Hα-helixtrans-65-33.7177.1-72.1175.781.9176.15.9112.2A235 W243A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.46Å; R239-W243 WeakPolarHBondContact O-CB 3.2Å; R239-W243 PolarHBondContact O-N 2.83Å; R239-W243 VanDerWaalsContact O-N 3.08Å
240C52.5Low54.2Low81 Ų81112.7 Ų112.755%0.54761%0.606SS.*Hα-helixtrans-69.1-39.5173.3-79.90000112.8V236 M237 E238 A244V236-C240 WeakPolarHBondContact O-CB 3.37Å; V236-C240 PolarHBondContact O-N 3.21Å; V236-C240 PolarHBondContact O-SG 2.73Å; M237-C240 PolarHBondContact O-N 3.09Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.27Å; C240-A244 WeakPolarHBondContact O-CB 3.38Å; C240-A244 PolarHBondContact O-N 2.93Å
241M60.6Low54.5Low135 Ų135105.8 Ų105.867%0.66559%0.589SS**Hα-helixtrans-71.3-38177.4-70.7-159.2-74.200112.1M237 E238 A244 G245M237-M241 WeakPolarHBondContact O-CG 3.4Å; M237-M241 PolarHBondContact O-N 3.3Å; E238-M241 PolarHBondContact O-N 2.59Å; M241-A244 PolarHBondContact O-N 3.41Å; M241-G245 PolarHBondContact O-N 3.23Å
242A59.2Low54.6Low69 Ų69101.1 Ų101.157%0.5757%0.571SS**Hα-helixtrans-62.8-42173.800000112.1E238 G245 S246E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 3.13Å; A242-G245 PolarHBondContact O-N 3.49Å; A242-S246 PolarHBondContact O-N 3.12Å; A242-S246 VanDerWaalsContact O-N 3.1Å
243W55.9Low54.8Low193 Ų193102.2 Ų102.273%0.73157%0.568SS**Hα-helixtrans-66.3-38176-170.676.9000112.3R239 S246 C247R239-W243 WeakPolarHBondContact O-CB 3.2Å; R239-W243 PolarHBondContact O-N 2.83Å; R239-W243 VanDerWaalsContact O-N 3.08Å; W243-S246 PolarHBondContact O-N 2.96Å; W243-C247 WeakPolarHBondContact O-CB 3.4Å; W243-C247 PolarHBondContact O-N 2.76Å; W243-C247 VanDerWaalsContact O-N 3.08Å
244A53.4Low54.8Low57 Ų57104.7 Ų104.747%0.47157%0.57SS.*Hα-helixtrans-65.2-40.617600000112.5C240 M241 C247 H248C240-A244 WeakPolarHBondContact O-CB 3.38Å; C240-A244 PolarHBondContact O-N 2.93Å; M241-A244 PolarHBondContact O-N 3.41Å; A244-C247 PolarHBondContact O-N 3.05Å; A244-H248 PolarHBondContact O-N 3.4Å
245G60Low54.9Low42 Ų42104.8 Ų104.843%0.43356%0.563SS.*Hα-helixtrans-63.6-45.6175.600000112.7M241 A242 C247 H248 Q249M241-G245 PolarHBondContact O-N 3.23Å; A242-G245 PolarHBondContact O-N 3.49Å; G245-C247 VanDerWaalsContact C-N 3.28Å; G245-C247 PolarHBondContact O-N 2.79Å; G245-H248 PolarHBondContact O-N 2.96Å; G245-Q249 PolarHBondContact O-N 3.4Å; G245-Q249 VanDerWaalsContact O-N 3.17Å
246S55.8Low55Low80 Ų80108.4 Ų108.456%0.55957%0.569SS**Hα-helixtrans-65.2-32.8179.7-162.40000112.7A242 W243 S250A242-S246 PolarHBondContact O-N 3.12Å; A242-S246 VanDerWaalsContact O-N 3.1Å; W243-S246 PolarHBondContact O-N 2.96Å; S246-S250 PolarHBondContact O-N 3.44Å
247C49.9Very low55Low64 Ų64106 Ų10643%0.43256%0.564SS.*Hα-helixtrans-72.8-33.2176.7-152.60000112.5W243 A244 G245 V251W243-C247 WeakPolarHBondContact O-CB 3.4Å; W243-C247 PolarHBondContact O-N 2.76Å; W243-C247 VanDerWaalsContact O-N 3.08Å; A244-C247 PolarHBondContact O-N 3.05Å; G245-C247 VanDerWaalsContact C-N 3.28Å; G245-C247 PolarHBondContact O-N 2.79Å; C247-V251 VanDerWaalsContact O-CG2 3.31Å; C247-V251 WeakPolarHBondContact O-CG2 3.33Å; C247-V251 PolarHBondContact O-N 3.46Å
248H49.8Very low54.9Low120 Ų120108.5 Ų108.556%0.55657%0.574SS**Hα-helixtrans-68.4-39.3175.5-169.3-97000111.7A244 G245 V251 Q252A244-H248 PolarHBondContact O-N 3.4Å; G245-H248 PolarHBondContact O-N 2.96Å; H248-V251 PolarHBondContact O-N 3.33Å; H248-Q252 PolarHBondContact O-N 2.93Å; H248-Q252 VanDerWaalsContact O-N 3.12Å
249Q54.3Low54.8Low129 Ų129108.9 Ų108.960%0.60358%0.576SS**Hα-helixtrans-68.1-41.1-179.7-146.3158.617.500112G245 V251 Q252 E253G245-Q249 PolarHBondContact O-N 3.4Å; G245-Q249 VanDerWaalsContact O-N 3.17Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 3.41Å; Q249-Q252 PolarHBondContact O-N 3.13Å; Q249-E253 PolarHBondContact O-N 3.23Å; Q249-E253 VanDerWaalsContact O-N 3.1Å
250S51.5Low54.7Low53 Ų53103.2 Ų103.237%0.37157%0.573SS.*Hα-helixtrans-67.6-25.8176.6-168.40000113.6S246 K254S246-S250 PolarHBondContact O-N 3.44Å; S250-K254 WeakPolarHBondContact O-CG 3.41Å
251V55.7Low54.7Low86 Ų86106.8 Ų106.852%0.52159%0.585SS.*Hα-helixtrans-76.6-39.1173.3172.50000110.7C247 H248 Q249 K254 T255C247-V251 VanDerWaalsContact O-CG2 3.31Å; C247-V251 WeakPolarHBondContact O-CG2 3.33Å; C247-V251 PolarHBondContact O-N 3.46Å; H248-V251 PolarHBondContact O-N 3.33Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 3.41Å; V251-K254 PolarHBondContact O-N 3.19Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.39Å
252Q55.4Low53.9Low107 Ų107112.3 Ų112.350%0.561%0.61SS.*Hα-helixtrans-65.6-40.3177-76.7-175.5-55.700113H248 Q249 K254 T255 Q256H248-Q252 PolarHBondContact O-N 2.93Å; H248-Q252 VanDerWaalsContact O-N 3.12Å; Q249-Q252 PolarHBondContact O-N 3.13Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 PolarHBondContact O-N 3.14Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-Q256 PolarHBondContact O-N 3.14Å
253E56.2Low53.7Low136 Ų136114.5 Ų114.564%0.63661%0.612SS**Hα-helixtrans-64.1-36.3177-76.4179137.400112.7Q249 G257Q249-E253 PolarHBondContact O-N 3.23Å; Q249-E253 VanDerWaalsContact O-N 3.1Å; E253-G257 PolarHBondContact O-N 3.02Å
254K56.7Low53.6Low151 Ų151110.3 Ų110.366%0.65761%0.605SS**Hα-helixtrans-70.2-34.7176.9-75.2178.7-178.8178.90112.6S250 V251 Q252 Q258S250-K254 WeakPolarHBondContact O-CG 3.41Å; V251-K254 PolarHBondContact O-N 3.19Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 PolarHBondContact O-N 3.14Å; K254-Q258 PolarHBondContact O-N 3.4Å
255T55.6Low53.6Low76 Ų76113.3 Ų113.347%0.46661%0.613SS.*Hα-helixtrans-73.8-35.4177.9-45.10000111.6V251 Q252V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.39Å; Q252-T255 PolarHBondContact O-N 3.26Å
256Q54.1Low53.2Low141 Ų141117.5 Ų117.566%0.65962%0.623SS**Hα-helixtrans-72.8-36.1174.5-78.1-178.3-21.300113Q252 Q258 Q259Q252-Q256 PolarHBondContact O-N 3.14Å; Q256-Q258 PolarHBondContact O-N 3.38Å; Q256-Q259 PolarHBondContact O-N 2.99Å
257G53.5Low53Low45 Ų45119.8 Ų119.846%0.46463%0.627SS.*Hα-helixtrans-64.6-24.2176.100000114.4E253E253-G257 PolarHBondContact O-N 3.02Å
258Q52.6Low53.3Low163 Ų163123.5 Ų123.576%0.76264%0.64SS**Hα-helixtrans-82.3-18.6175.2-77.7-169.3-39.800114K254 Q256K254-Q258 PolarHBondContact O-N 3.4Å; Q256-Q258 PolarHBondContact O-N 3.38Å
259Q53.2Low53.5Low154 Ų154123.8 Ų123.872%0.7265%0.646SS**Hα-helixtrans-89.8-9.6177.7-76.8-177.2-25.300113.8Q256Q256-Q259 PolarHBondContact O-N 2.99Å
260A52.1Low53.4Low85 Ų85123.4 Ų123.470%0.70265%0.65SS**SBendtrans-94.57.3-179.600000114.5
261L52.8Low53.6Low156 Ų156129.3 Ų129.382%0.81767%0.673SS**  trans-121.821.4-178.1-95.9160.2000113.2
262Q45.2Very low53.4Low251 Ų251133.2 Ų133.2100%1.17369%0.687SS**  trans-114.60165.7-90.4-178.2-16.400110.5

Retrieved 262 of 262 residues in 127.6 ms (Link to these results)