A0A060WI83_ONCMY Loading...

Otolin-1

Collagen-like protein, which provides an organic scaffold for otoliths onto the sensory epithelium of the inner ear. Acts as a scaffold for biomineralization by sequestering calcium.

AlphaFold DB , UniProt , Accession A0A060WI83, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522131, Length 661 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low57Low232 Ų232125.5 Ų125.5100%1.14366%0.655SS**  0122.80-81.8-177.6161.600107.6
2D52.6Low56.8Low118 Ų118124.1 Ų124.163%0.63165%0.648SS**  trans-73.2140.6-167.8-141.9-34.6000111.4R4 V5 T6D2-R4 PolarHBondContact O-N 3.48Å; D2-V5 HydrophobicContact CB-CG2 4.27Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.39Å; D2-T6 PolarHBondContact O-N 3.01Å
3L52.1Low57.5Low141 Ų141121.1 Ų121.174%0.73864%0.638SS**Hα-helixtrans-58.7-24.6-172.9-138.685.2000112.2T6 S7L3-T6 VanDerWaalsContact C-OG1 3.25Å; L3-T6 VanDerWaalsContact CA-OG1 3.31Å; L3-T6 WeakPolarHBondContact CA-OG1 3.4Å; L3-T6 PolarHBondContact O-OG1 3.43Å; L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 VanDerWaalsContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 3.1Å
4R51.4Low57.8Low206 Ų206116.6 Ų116.678%0.77763%0.627SS**Hα-helixtrans-72.4-32177.1-61.2-167.8-178.5-153.91.4113.1D2 S7 V8D2-R4 PolarHBondContact O-N 3.48Å; R4-S7 PolarHBondContact O-N 3.49Å; R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.44Å; R4-V8 VanDerWaalsContact O-N 3.15Å
5V57Low57.3Low94 Ų94115.9 Ų115.957%0.5762%0.622SS**Hα-helixtrans-71.4-39175.9-178.20000110D2 S7 V8 L9D2-V5 HydrophobicContact CB-CG2 4.27Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.39Å; V5-S7 PolarHBondContact O-N 3.3Å; V5-V8 PolarHBondContact O-N 3.47Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.03Å
6T62.5Low57Low67 Ų67112.9 Ų112.941%0.41162%0.619SS.*Hα-helixtrans-65.2-35.8173.530.70000112.9D2 L3 L10D2-T6 PolarHBondContact O-N 3.01Å; L3-T6 VanDerWaalsContact C-OG1 3.25Å; L3-T6 VanDerWaalsContact CA-OG1 3.31Å; L3-T6 WeakPolarHBondContact CA-OG1 3.4Å; L3-T6 PolarHBondContact O-OG1 3.43Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.49Å
7S56.1Low57Low76 Ų76113 Ų11353%0.53162%0.623SS.*Hα-helixtrans-71-36.7176.7-65.40000113.2L3 R4 V5 L10 L11L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 VanDerWaalsContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 3.1Å; R4-S7 PolarHBondContact O-N 3.49Å; V5-S7 PolarHBondContact O-N 3.3Å; S7-L10 PolarHBondContact O-N 3.44Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.86Å
8V64.9Low56.5Low89 Ų89110.9 Ų110.954%0.53962%0.623SS.*Hα-helixtrans-70.5-38.2175175.40000110.8R4 V5 L11 L12R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.44Å; R4-V8 VanDerWaalsContact O-N 3.15Å; V5-V8 PolarHBondContact O-N 3.47Å; V8-L11 PolarHBondContact O-N 3.4Å; V8-L12 HydrophobicContact CG1-CD1 4.13Å; V8-L12 WeakPolarHBondContact O-CB 3.35Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.09Å
9L60.4Low56.3Low111 Ų111110.3 Ų110.358%0.58162%0.623SS**Hα-helixtrans-64.7-41.9174-159.879.6000111.6V5 L11 L12 V13V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.03Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-V13 WeakPolarHBondContact O-CB 3.47Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.5Å
10L63.4Low55.8Low126 Ų126110.2 Ų110.266%0.6663%0.626SS**Hα-helixtrans-65.3-36.2174.9-108.7136.7000112.6T6 S7 A14T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.49Å; S7-L10 PolarHBondContact O-N 3.44Å; L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.96Å
11L61.3Low55.3Low120 Ų120113.3 Ų113.363%0.62864%0.636SS**Hα-helixtrans-68.8-39.8176.4-154.187.7000111.6S7 V8 L9 A14 L15S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.86Å; V8-L11 PolarHBondContact O-N 3.4Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L11-A14 PolarHBondContact O-N 3.48Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.45Å
12L54.6Low55.4Low109 Ų109112.6 Ų112.657%0.57162%0.62SS**Hα-helixtrans-68.6-38.1175.6-77.7167.8000112.4V8 L9 L15 A16V8-L12 HydrophobicContact CG1-CD1 4.13Å; V8-L12 WeakPolarHBondContact O-CB 3.35Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.19Å
13V65.6Low54.9Low85 Ų85116.7 Ų116.752%0.51563%0.628SS.*Hα-helixtrans-69-39.2174.6172.60000110.9L9 A16 V17L9-V13 WeakPolarHBondContact O-CB 3.47Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.5Å; V13-A16 PolarHBondContact O-N 3.17Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 3.14Å; V13-V17 VanDerWaalsContact O-N 3.11Å
14A61.5Low54.1Low59 Ų59120.8 Ų120.849%0.48864%0.635SS.*Hα-helixtrans-65.6-37.717500000112.5L10 L11 V17 A18L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.96Å; L11-A14 PolarHBondContact O-N 3.48Å; A14-V17 PolarHBondContact O-N 3.22Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.22Å; A14-A18 VanDerWaalsContact O-N 3.13Å
15L50.6Low53.3Low105 Ų105120 Ų12055%0.5564%0.641SS.*Hα-helixtrans-67.3-36.7174.1-80.2161.3000112.4L11 L12 V17 A18 T19L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-A18 PolarHBondContact O-N 3.16Å; L15-T19 PolarHBondContact O-OG1 3.36Å
16A52.3Low52.1Low69 Ų69121.7 Ų121.757%0.5765%0.65SS**Hα-helixtrans-68-31.8175.700000113.1L12 V13L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.19Å; V13-A16 PolarHBondContact O-N 3.17Å
17V57.6Low50.6Low114 Ų114127 Ų12769%0.69167%0.671SS**Hα-helixtrans-78.6-26.3176.3176.20000112V13 A14 L15V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 3.14Å; V13-V17 VanDerWaalsContact O-N 3.11Å; A14-V17 PolarHBondContact O-N 3.22Å; L15-V17 VanDerWaalsContact C-N 3.34Å
18A48Very low49.5Very low75 Ų75132.7 Ų132.762%0.6269%0.686SS**Hα-helixtrans-80.6-12.4-178.700000114.6A14 L15A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.22Å; A14-A18 VanDerWaalsContact O-N 3.13Å; L15-A18 PolarHBondContact O-N 3.16Å
19T52.3Low48Very low100 Ų100134.9 Ų134.961%0.61370%0.699SS**  trans-132.973.6177.558.90000112.3L15 E21L15-T19 PolarHBondContact O-OG1 3.36Å; T19-E21 VanDerWaalsContact C-N 3.27Å; T19-E21 PolarHBondContact O-N 3.42Å
20P45.7Very low46.8Very low108 Ų108134 Ų13470%0.70171%0.708SS**THydrogen-bonded Turntrans-75.9-6.5-17928.7-32.7000114.8
21E45.3Very low45.5Very low175 Ų175138.1 Ų138.182%0.81872%0.721SS**THydrogen-bonded Turntrans-109.626.2-168.2-79.5-69.316500115.4T19T19-E21 VanDerWaalsContact C-N 3.27Å; T19-E21 PolarHBondContact O-N 3.42Å
22R47.8Very low44.1Very low218 Ų218141.6 Ų141.682%0.82373%0.733SS**SBendtrans-130.9-1.8177.5-99-165.7-176.2-168.11.8119.9
23Y43.4Very low43.3Very low204 Ų204145.1 Ų145.180%0.875%0.747SS**SBendtrans-147111.9170.4-77.3-83.2000108.7
24Y35.3Very low41.6Very low226 Ų226149.7 Ų149.789%0.88676%0.763SS**  trans152.195.5146.7-77.2-60.9000110.5
25H32.6Very low40.4Very low191 Ų191155 Ų15588%0.88478%0.777SS**  trans-133.896.5150.1-107.5-18.6000109.4
26V33.2Very low39.3Very low128 Ų128160.5 Ų160.578%0.77679%0.792SS**  trans-134.5107.6158.2-179.30000106.8
27Q30.6Very low38.7Very low179 Ų179162.4 Ų162.484%0.83680%0.799SS**  trans-75.4121.1167.4-88.7-177.1-18.800109.1
28K33.7Very low37.8Very low196 Ų196163.2 Ų163.285%0.85280%0.804SS**  trans-109.1122.3156.9-83.6-175175.6179.50108.1
29V32.8Very low37Very low134 Ų134168.7 Ų168.781%0.81281%0.814SS**  trans-106.9122.1163.7179.30000108
30A36.2Very low36.5Very low94 Ų94168.9 Ų168.978%0.77782%0.819SS**  trans-68.9144.6178.600000112
31K34.5Very low35.8Very low212 Ų212172.5 Ų172.592%0.92283%0.826SS**  trans-103.7111.4164.6-88.1-174.3174.4179.70109.9
32Q33.4Very low35.7Very low192 Ų192170.4 Ų170.490%0.89783%0.825SS**  trans-73.9141.6157.9-84.5174.7-24.700109.9
33Q37.7Very low35.1Very low183 Ų183168.2 Ų168.286%0.85583%0.825SS**  trans-70.4132.9168.2-75.5172.2-22.300110.8
34Q29.6Very low35.1Very low182 Ų182164.7 Ų164.785%0.8582%0.824SS**  trans-141.9133.6146.1-77.6-144.5-19.500110.5
35H35.9Very low35.4Very low170 Ų170160 Ų16079%0.78782%0.819SS**  trans-72.7149.5171.8-83.654.6000111.4
36Y27.2Very low35.9Very low221 Ų221156.2 Ų156.287%0.86781%0.814SS**  trans-172.5163.8143.1-95.8-57.4000110.3
37P40.2Very low36.6Very low109 Ų109153.5 Ų153.571%0.70881%0.812SS**  trans-113.2171.8-138.821.23.5000114.6
38T38.1Very low37.6Very low130 Ų130154 Ų15480%0.79881%0.814SS**  trans-40.2131.9169.835.10000116.7
39K31.1Very low38.5Very low191 Ų191150.9 Ų150.983%0.8381%0.814SS**  171.1129.2115.4-94.4179.9-177.1-178.90114
40S42.1Very low39.7Very low104 Ų104147.8 Ų147.873%0.72781%0.809SS**  trans35.4116.6144.662.10000122.2
41H32.1Very low40.9Very low183 Ų183151.5 Ų151.585%0.84781%0.814SS**  -161.1130119-134.334000111.1
42V42.9Very low42.4Very low132 Ų132147.3 Ų147.380%0.881%0.808SS**  trans-83.7121.8173.7172.10000107.3
43Q34.5Very low43.9Very low172 Ų172141.7 Ų141.780%0.80480%0.802SS**  trans-134.9106.1166.4-159.9159.123.700109.2V45Q43-V45 PolarHBondContact O-N 2.69Å
44T43.2Very low44.8Very low129 Ų129138.2 Ų138.279%0.79180%0.798SS**  trans-74.4116.1177.3-40.20000108.8
45V41.1Very low46.8Very low129 Ų129135.5 Ų135.578%0.78280%0.796SS**  trans-126.4110.9164.3-174.90000107.5Q43 G47Q43-V45 PolarHBondContact O-N 2.69Å; V45-G47 PolarHBondContact O-N 3.23Å
46S44.1Very low48Very low111 Ų111130.9 Ų130.978%0.77680%0.795SS**  trans-69.611517354.60000109.7
47G48.2Very low49.7Very low71 Ų71129.3 Ų129.373%0.73280%0.795SS**PPolyproline II helixtrans-77.9132.6166.600000110.4V45V45-G47 PolarHBondContact O-N 3.23Å
48E50.7Low51.2Low189 Ų189130.1 Ų130.188%0.88380%0.801SS**PPolyproline II helixtrans-62.4138.7172.8-72.8-174.814300110.8G50E48-G50 PolarHBondContact O-N 3.21Å
49P52.5Low52.3Low130 Ų130127 Ų12784%0.84479%0.794SS**PPolyproline II helixtrans-62.4130.1175.9-2132.3000111.8
50G58.6Low53.8Low69 Ų69124.3 Ų124.371%0.71180%0.796SS**PPolyproline II helixtrans-62.6148174.500000112.8E48E48-G50 PolarHBondContact O-N 3.21Å
51I60.8Low55.2Low172 Ų172128.2 Ų128.288%0.88281%0.805SS**PPolyproline II helixtrans-55.3128.3179.4-7.1173.9000110.4G53I51-G53 PolarHBondContact O-N 3.45Å
52P66.6Low56.4Low124 Ų124122 Ų12281%0.80579%0.791SS**PPolyproline II helixtrans-59.1133.6176.7-24.934.1000112
53G63.7Low57.1Low74 Ų74121.6 Ų121.676%0.76379%0.791SS**PPolyproline II helixtrans-63.1145.1177.600000112.7I51I51-G53 PolarHBondContact O-N 3.45Å
54S57.8Low59Low111 Ų111119.6 Ų119.678%0.77679%0.793SS**PPolyproline II helixtrans-59.7141.1178.350.50000111.6G56S54-G56 PolarHBondContact O-N 3.17Å
55P71.4Confident59.6Low125 Ų125116.5 Ų116.581%0.81279%0.787SS**PPolyproline II helixtrans-54.7135.7176-2433.3000111.7
56G60.4Low60.3Low73 Ų73116.2 Ų116.275%0.75379%0.787SS**PPolyproline II helixtrans-63.6145178.100000112.2S54S54-G56 PolarHBondContact O-N 3.17Å
57E63Low61.3Low187 Ų187116.9 Ų116.987%0.87479%0.789SS**PPolyproline II helixtrans-60.5140.9179.2-69.1-165.6153.200111.6G59E57-G59 PolarHBondContact O-N 3.38Å
58P71.3Confident61.7Low127 Ų127116.8 Ų116.883%0.82579%0.788SS**PPolyproline II helixtrans-57.1131.5174.7-2333.1000111.3
59G61.1Low61.9Low64 Ų64115.8 Ų115.866%0.6679%0.789SS**PPolyproline II helixtrans-59.5151.1177.700000112.4E57E57-G59 PolarHBondContact O-N 3.38Å
60P62.7Low61.9Low134 Ų134117.2 Ų117.287%0.8779%0.789SS**PPolyproline II helixtrans-61.5139.9-177.824.9-33.2000111.4G62P60-G62 PolarHBondContact O-N 2.98Å
61M71.8Confident61.3Low186 Ų186117.7 Ų117.792%0.91679%0.794SS**PPolyproline II helixtrans-59.8129.4178.1-174.8171.463.100110.5
62G58.7Low60.8Low54 Ų54115.7 Ų115.756%0.55779%0.79SS**PPolyproline II helixtrans-61.1152.9179.100000112.8P60P60-G62 PolarHBondContact O-N 2.98Å
63P57.8Low59.9Low123 Ų123113.1 Ų113.180%0.79979%0.786SS**PPolyproline II helixtrans-64146.6-177.825.5-32.7000111.8
64P74.1Confident59.1Low129 Ų129117.8 Ų117.884%0.83879%0.787SS**PPolyproline II helixtrans-58.5139.2175.8-21.932.2000111.9
65G56.1Low59.3Low64 Ų64118.5 Ų118.566%0.6679%0.789SS**PPolyproline II helixtrans-62.4153.5176.900000112.8
66P54.6Low58.4Low123 Ų123116.1 Ų116.180%0.79979%0.787SS**PPolyproline II helixtrans-63.6146.2-178.525.8-32.9000111.5G68P66-G68 PolarHBondContact O-N 3.13Å
67P66.1Low57.8Low126 Ų126122.1 Ų122.182%0.81880%0.796SS**PPolyproline II helixtrans-59.8133.9176-2031000111.3
68G56Low57.7Low68 Ų68122.6 Ų122.670%0.70180%0.798SS**PPolyproline II helixtrans-65.1139.6177.300000112.4P66 N70P66-G68 PolarHBondContact O-N 3.13Å; G68-N70 PolarHBondContact O-N 3.46Å
69N54.8Low56.9Low168 Ų168119.2 Ų119.290%0.89879%0.786SS**PPolyproline II helixtrans-67.9127.8177.1-84-16.4000111.3G71N69-G71 PolarHBondContact O-N 3.11Å
70N51.9Low56.7Low160 Ų160122 Ų12286%0.85679%0.793SS**PPolyproline II helixtrans-69.4118.3174.6-68.1-21.3000110.4G68G68-N70 PolarHBondContact O-N 3.46Å
71G47.6Very low56.9Low79 Ų79121.8 Ų121.881%0.81479%0.791SS**PPolyproline II helixtrans-70.2129.7171.900000111.8N69 G73N69-G71 PolarHBondContact O-N 3.11Å; G71-G73 PolarHBondContact O-N 3.29Å
72V50.4Low56.1Low131 Ų131116.3 Ų116.379%0.79478%0.783SS**  trans-81.5111.4172.4-177.80000108.5
73G46.5Very low55.7Low70 Ų70118.3 Ų118.372%0.72279%0.794SS**PPolyproline II helixtrans-82.8127172.700000111.4G71G71-G73 PolarHBondContact O-N 3.29Å
74H46.9Very low56Low172 Ų172118.6 Ų118.680%0.79680%0.796SS**PPolyproline II helixtrans-76.2136.5169.6-67.2-71.5000110.4G76H74-G76 PolarHBondContact O-N 3.44Å
75P62.2Low55.2Low125 Ų125115.6 Ų115.681%0.81279%0.788SS**PPolyproline II helixtrans-60.8133.9174.4-20.531.3000111.5
76G53.4Low55.1Low75 Ų75118.9 Ų118.977%0.77380%0.798SS**PPolyproline II helixtrans-63146.5176.900000112.3H74 Q78H74-G76 PolarHBondContact O-N 3.44Å; G76-Q78 PolarHBondContact O-N 3.22Å
77Q47.7Very low54.8Low199 Ų199117.6 Ų117.693%0.9380%0.798SS**PPolyproline II helixtrans-58.4134.1178.3-71.4-175.1-2.400111.2G79Q77-G79 PolarHBondContact O-N 2.76Å
78Q60.3Low53.8Low197 Ų197115.1 Ų115.192%0.92180%0.795SS**PPolyproline II helixtrans-64.3127.7179.6-167.4172.217.100110.3G76G76-Q78 PolarHBondContact O-N 3.22Å
79G55.1Low53.3Low56 Ų56123.4 Ų123.458%0.57781%0.807SS**PPolyproline II helixtrans-64.7150.7178.200000112.4Q77Q77-G79 PolarHBondContact O-N 2.76Å
80P55.6Low52.9Low123 Ų123121.2 Ų121.280%0.79981%0.805SS**PPolyproline II helixtrans-63.8146.2-177.925.2-32.2000111.5
81P67.3Low52.4Low129 Ų129118.8 Ų118.884%0.83881%0.807SS**PPolyproline II helixtrans-57.8137.4179-23.232.9000112.5
82G56.1Low52.2Low72 Ų72120.3 Ų120.374%0.74281%0.812SS**PPolyproline II helixtrans-63.9145.317700000112.7
83A49.7Very low51.7Low96 Ų96117.7 Ų117.779%0.79381%0.811SS**PPolyproline II helixtrans-60.1139-178.500000111.8G85A83-G85 PolarHBondContact O-N 3.41Å
84P63.4Low51.2Low128 Ų128124.1 Ų124.183%0.83182%0.819SS**PPolyproline II helixtrans-58.6133.2175.6-22.332.4000111.9
85G58.5Low51Low66 Ų66122.4 Ų122.468%0.6882%0.824SS**PPolyproline II helixtrans-66.7150.7177.500000112.6A83A83-G85 PolarHBondContact O-N 3.41Å
86P53.9Low50.2Low134 Ų134120 Ų12087%0.8782%0.822SS**PPolyproline II helixtrans-66.7143.8-17725.8-32000112.2G88P86-G88 PolarHBondContact O-N 3.1Å
87A47Very low49.6Very low95 Ų95122 Ų12279%0.78582%0.823SS**PPolyproline II helixtrans-61.6128.6179.500000111.7
88G45Very low50Low74 Ų74119 Ų11976%0.76382%0.821SS**PPolyproline II helixtrans-73.2130.3-178.700000112.8P86P86-G88 PolarHBondContact O-N 3.1Å
89Y46.4Very low49.1Very low242 Ų242113.3 Ų113.395%0.94982%0.816SS**PPolyproline II helixtrans-78.6126167.7-84.4-93.2000110.1
90S46.6Very low49Very low123 Ų123114 Ų11486%0.8682%0.823SS**PPolyproline II helixtrans-94.9124.5178.930.70000111.5
91A41Very low49Very low108 Ų108114.7 Ų114.789%0.89383%0.827SS**  trans-140.6136.7160.800000109.6
92A42.7Very low48Very low112 Ų112112.2 Ų112.293%0.92683%0.825SS**  trans-99151.7-160.200000114.9
93G40Very low47.6Very low75 Ų75118.3 Ų118.377%0.77383%0.832SS**  trans145.7126.3158.400000111.9
94K35.8Very low47.9Very low205 Ų205120 Ų12089%0.89183%0.834SS**  cis-146.3146.913.9-65.4176.4176.5-178.40110.1
95P43.9Very low47.2Very low137 Ų137117.4 Ų117.489%0.8983%0.831SS**  trans-83.3152.5162.72.715.9000110.4
96G44.8Very low46.7Very low75 Ų75119.8 Ų119.877%0.77384%0.837SS**  cis166.1146.8-0.400000106.8
97S40.8Very low46.6Very low115 Ų115121 Ų12180%0.80484%0.836SS**PPolyproline II helixtrans-101126.2172.1540000110.6
98P54.9Low46.5Very low136 Ų136119.9 Ų119.988%0.88383%0.834SS**PPolyproline II helixtrans-63.2144.6179.6-22.933.5000114.1
99G42.8Very low46.6Very low79 Ų79125 Ų12581%0.81484%0.84SS**PPolyproline II helixtrans-86.8160.9-158.900000117.6
100G52Low47.2Very low71 Ų71119.5 Ų119.573%0.73283%0.834SS**PPolyproline II helixtrans-83.4145.416800000112.1
101P55.8Low47.3Very low136 Ų136117.2 Ų117.288%0.88383%0.83SS**PPolyproline II helixtrans-60139.2178.3-22.132.8000113.5
102G46.3Very low47.7Very low77 Ų77120.6 Ų120.679%0.79483%0.827SS**PPolyproline II helixtrans-69.9138.8-166.300000115.6
103K48.8Very low48.2Very low201 Ų201124.8 Ų124.887%0.87483%0.825SS**PPolyproline II helixtrans-82.2135.5160.1-70.9-175178.2-175.90109G105K103-G105 PolarHBondContact O-N 3.21Å
104P55.2Low48.6Very low130 Ų130124.4 Ų124.484%0.84482%0.821SS**PPolyproline II helixtrans-51.5133.2176.3-26.133.7000111.7S106P104-S106 PolarHBondContact O-N 3.29Å
105G48.8Very low49.2Very low74 Ų74122.5 Ų122.576%0.76382%0.815SS**PPolyproline II helixtrans-60122.6-177.300000111.9K103K103-G105 PolarHBondContact O-N 3.21Å
106S47.8Very low49.6Very low117 Ų117122.7 Ų122.782%0.81881%0.814SS**PPolyproline II helixtrans-63.1129.3165500000109.5P104 G108P104-S106 PolarHBondContact O-N 3.29Å; S106-G108 PolarHBondContact O-N 2.92Å
107N52.1Low49.8Very low159 Ų159122.2 Ų122.285%0.8581%0.809SS**  trans-45.5134.7173.5-74.3-11000111.2M109N107-M109 PolarHBondContact O-N 2.91Å
108G44.1Very low50.5Low72 Ų72121.1 Ų121.174%0.74281%0.807SS**PPolyproline II helixtrans-54.6135.1176.100000111.3S106S106-G108 PolarHBondContact O-N 2.92Å
109M47.3Very low50.9Low180 Ų180120.7 Ų120.789%0.88780%0.804SS**PPolyproline II helixtrans-55.7133.3174.2-71.1174.763.900109.6N107 G111N107-M109 PolarHBondContact O-N 2.91Å; M109-G111 PolarHBondContact O-N 2.82Å
110P60.6Low51.3Low127 Ų127120.3 Ų120.383%0.82580%0.8SS**PPolyproline II helixtrans-53.2133.9170.9-23.733000110.2
111G47.4Very low51.2Low75 Ų75121.9 Ų121.977%0.77381%0.806SS**PPolyproline II helixtrans-54142.9177.600000111.8M109 K113M109-G111 PolarHBondContact O-N 2.82Å; G111-K113 PolarHBondContact O-N 2.83Å
112E49.9Very low51.2Low179 Ų179123.8 Ų123.884%0.83681%0.805SS**PPolyproline II helixtrans-49.2125.2178.1-74.6-173.113900110.8G114E112-G114 PolarHBondContact O-N 2.75Å
113K52.1Low51.9Low200 Ų200122.7 Ų122.787%0.8779%0.794SS**PPolyproline II helixtrans-62121.1171.1-152.5179.4-159.4-179.80107.2G111 H115G111-K113 PolarHBondContact O-N 2.83Å; K113-H115 PolarHBondContact O-N 2.78Å
114G49.3Very low52.1Low67 Ų67119.4 Ų119.469%0.69179%0.793SS**PPolyproline II helixtrans-48.2134.2178.100000111.1E112 T116E112-G114 PolarHBondContact O-N 2.75Å; G114-T116 PolarHBondContact O-N 3.28Å
115H48.1Very low52.5Low165 Ų165124.1 Ų124.176%0.76479%0.794SS**PPolyproline II helixtrans-56128.1-178.9-49.4-21.1000109.1K113 G117K113-H115 PolarHBondContact O-N 2.78Å; H115-G117 PolarHBondContact O-N 3.3Å
116T52.5Low52.8Low142 Ų142123.6 Ų123.687%0.87179%0.788SS**PPolyproline II helixtrans-55.3125.7171.4-280000107.7G114 A118G114-T116 PolarHBondContact O-N 3.28Å; T116-A118 PolarHBondContact O-N 3.13Å
117G49.3Very low53Low65 Ų65123.3 Ų123.367%0.6779%0.786SS**PPolyproline II helixtrans-52140176.800000110.6H115H115-G117 PolarHBondContact O-N 3.3Å
118A54.7Low53.6Low91 Ų91121.1 Ų121.175%0.75278%0.781SS**PPolyproline II helixtrans-49.6136.5177.100000109.9T116 G120T116-A118 PolarHBondContact O-N 3.13Å; A118-G120 PolarHBondContact O-N 3.49Å
119P62.9Low54.2Low127 Ų127121.1 Ų121.183%0.82578%0.781SS**PPolyproline II helixtrans-50.4127.8171.9-24.132.7000109.2A121P119-A121 PolarHBondContact O-N 3.35Å
120G51.7Low54.5Low72 Ų72118.2 Ų118.274%0.74278%0.779SS**PPolyproline II helixtrans-52.7139175.700000109.8A118 M122A118-G120 PolarHBondContact O-N 3.49Å; G120-M122 PolarHBondContact O-N 3.42Å
121A50.5Low54.3Low103 Ų103116.9 Ų116.985%0.85178%0.778SS**PPolyproline II helixtrans-49.8119.2-179.200000109.8P119 G123P119-A121 PolarHBondContact O-N 3.35Å; A121-G123 PolarHBondContact O-N 3.45Å
122M56.5Low54.5Low177 Ų177116.6 Ų116.687%0.87278%0.775SS**PPolyproline II helixtrans-55.1121.5172.7179.3168.854.400107.9G120G120-M122 PolarHBondContact O-N 3.42Å
123G60Low54.2Low53 Ų53113.5 Ų113.555%0.54677%0.774SS.*PPolyproline II helixtrans-54.1147.1176.400000110.6A121 R125A121-G123 PolarHBondContact O-N 3.45Å; G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.08Å
124P52.5Low54.5Low132 Ų132110.1 Ų110.186%0.85777%0.772SS**PPolyproline II helixtrans-56.2121.3-175.922.8-31.9000109.5G126P124-G126 PolarHBondContact O-N 2.87Å
125R63.4Low54.6Low229 Ų229110 Ų11086%0.86477%0.771SS**PPolyproline II helixtrans-56.8123.3173-174.2177.1-172.1168.12.5107.8G123 S127G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.08Å; R125-S127 PolarHBondContact O-N 3.36Å
126G55.1Low54.6Low63 Ų63108.7 Ų108.765%0.64978%0.777SS**PPolyproline II helixtrans-51.1134172.600000110.2P124P124-G126 PolarHBondContact O-N 2.87Å
127S53Low54.3Low111 Ų111106.5 Ų106.578%0.77677%0.773SS**PPolyproline II helixtrans-52.5126.9179.447.40000109.9R125 G129R125-S127 PolarHBondContact O-N 3.36Å; S127-G129 PolarHBondContact O-N 3.07Å
128P65.5Low53.9Low113 Ų113107.1 Ų107.173%0.73478%0.78SS**PPolyproline II helixtrans-54.3135.4172-23.833.4000110.2
129G55.9Low53.3Low73 Ų73113.3 Ų113.375%0.75379%0.785SS**PPolyproline II helixtrans-54.6142.5174.900000111.1S127 A131S127-G129 PolarHBondContact O-N 3.07Å; G129-A131 PolarHBondContact O-N 3.14Å
130S52.6Low52.4Low119 Ų119112.3 Ų112.383%0.83278%0.781SS**PPolyproline II helixtrans-52.7125.9179.3490000110.9G132S130-G132 PolarHBondContact O-N 2.86Å
131A57.8Low51.9Low98 Ų98114.7 Ų114.781%0.8179%0.786SS**PPolyproline II helixtrans-59130176.200000110.4G129G129-A131 PolarHBondContact O-N 3.14Å
132G51.3Low51.6Low69 Ų69115 Ų11571%0.71179%0.789SS**PPolyproline II helixtrans-59.3139.117400000111S130S130-G132 PolarHBondContact O-N 2.86Å
133S43.1Very low51.1Low115 Ų115110 Ų11080%0.80478%0.783SS**PPolyproline II helixtrans-57.3126.3178.348.80000111G135S133-G135 PolarHBondContact O-N 3.37Å
134P58.9Low50.3Low129 Ų129117.4 Ų117.484%0.83880%0.8SS**PPolyproline II helixtrans-60.1133.3178.3-23.633.3000112.4
135G50.8Low50.4Low65 Ų65117.2 Ų117.267%0.6780%0.799SS**PPolyproline II helixtrans-67.9155.7171.900000112.3S133S133-G135 PolarHBondContact O-N 3.37Å
136P49.4Very low49.8Very low136 Ų136109 Ų10988%0.88379%0.785SS**PPolyproline II helixtrans-67.3143.6-173.326.7-31.9000112.4
137A45.8Very low49.6Very low97 Ų97112.5 Ų112.580%0.80280%0.796SS**PPolyproline II helixtrans-63.9129.5-17000000114.1
138G40Very low49.4Very low78 Ų78116.3 Ų116.380%0.80480%0.802SS**PPolyproline II helixtrans-99.2123.1163.700000110.9
139Y43.3Very low48.8Very low220 Ų220114.3 Ų114.386%0.86380%0.802SS**PPolyproline II helixtrans-71.2137.3170.1-78.7-95.5000110.8
140S42.7Very low48.5Very low107 Ų107118.9 Ų118.975%0.74881%0.808SS**  164.7120.5124.5-68.30000114.5
141S40.9Very low49Very low121 Ų121119.2 Ų119.285%0.84681%0.807SS**  trans59.7120.1145.142.30000122.6
142A45.8Very low48.8Very low110 Ų110118.1 Ų118.191%0.90981%0.806SS**PPolyproline II helixtrans-74.6128.2-179.700000114.6
143G45.2Very low49.1Very low72 Ų72118.6 Ų118.674%0.74281%0.81SS**PPolyproline II helixtrans-101.6134.4161.400000110.7
144K44.3Very low49.8Very low209 Ų209122.2 Ų122.291%0.90982%0.817SS**PPolyproline II helixtrans-65133.8-178.6-67-173.7178.6-1730111.3
145P52.9Low49.9Very low127 Ų127118.7 Ų118.783%0.82581%0.805SS**PPolyproline II helixtrans-67.1133.8176-20.132.1000112.7
146G50.8Low50.3Low56 Ų56122.1 Ų122.158%0.57782%0.815SS**PPolyproline II helixtrans-70.9156.2170.900000112.5H148G146-H148 PolarHBondContact O-N 3.04Å
147P51.8Low50.8Low137 Ų137126.8 Ų126.889%0.8982%0.815SS**PPolyproline II helixtrans-64.7133-17725.8-32.2000111.4
148H49.8Very low51.3Low191 Ų191125.2 Ų125.288%0.88481%0.808SS**PPolyproline II helixtrans-62.3132.7176.3-90.150.9000111.3G146G146-H148 PolarHBondContact O-N 3.04Å
149G51Low51.9Low72 Ų72130.9 Ų130.974%0.74281%0.814SS**PPolyproline II helixtrans-67.2145.8171.100000112.1
150L51.4Low52.6Low169 Ų169125.4 Ų125.489%0.88581%0.807SS**PPolyproline II helixtrans-60.1137.9-177.9-70.3164.2000111.8G152L150-G152 PolarHBondContact O-N 3.02Å
151P62.5Low53Low125 Ų125124 Ų12481%0.81281%0.81SS**PPolyproline II helixtrans-59.3127.9174-21.732.2000111.8
152G52.8Low53.4Low75 Ų75126.9 Ų126.977%0.77382%0.815SS**PPolyproline II helixtrans-62.3139.1174.800000112L150L150-G152 PolarHBondContact O-N 3.02Å
153G57.3Low54Low79 Ų79131.1 Ų131.181%0.81481%0.813SS**PPolyproline II helixtrans-58.5138.8-174.700000114.1G155G153-G155 PolarHBondContact O-N 2.98Å
154M57.5Low54Low191 Ų191131 Ų13194%0.94181%0.811SS**PPolyproline II helixtrans-61.3123.6176.2-173.3169.262.700110.6
155G62.4Low54Low56 Ų56129.7 Ų129.758%0.57781%0.808SS**PPolyproline II helixtrans-62.5154.5178.900000113.1G153 R157G153-G155 PolarHBondContact O-N 2.98Å; G155-R157 PolarHBondContact O-N 2.91Å
156P57.8Low54.3Low137 Ų137129.8 Ų129.889%0.8981%0.808SS**PPolyproline II helixtrans-63.9133.3-174.325.5-32.8000111.7G158P156-G158 PolarHBondContact O-N 3.34Å
157R61.8Low54Low234 Ų234130.5 Ų130.588%0.88382%0.815SS**PPolyproline II helixtrans-60.8124.7176.9-178.6177.3179.3165-0.1110.1G155G155-R157 PolarHBondContact O-N 2.91Å
158G56.1Low53.9Low63 Ų63132 Ų13265%0.64981%0.814SS**PPolyproline II helixtrans-58.9142177.100000112.9P156P156-G158 PolarHBondContact O-N 3.34Å
159E51.7Low54Low198 Ų198128.6 Ų128.693%0.92581%0.809SS**PPolyproline II helixtrans-61138.4-178.9-70-175.7151.600112
160S57.7Low53.8Low105 Ų105128.8 Ų128.873%0.73481%0.812SS**PPolyproline II helixtrans-76126.8-178-56.90000110.4
161G51.3Low53.6Low77 Ų77129.4 Ų129.479%0.79482%0.815SS**PPolyproline II helixtrans-58.8143.9-179.100000113.8K163G161-K163 PolarHBondContact O-N 3.44Å
162L48.7Very low53Low182 Ų182132.6 Ų132.695%0.95382%0.819SS**PPolyproline II helixtrans-59.8129.1-178.3-66.6168.2000111.6G164L162-G164 PolarHBondContact O-N 2.79Å
163K59.3Low52.8Low199 Ų199132.4 Ų132.487%0.86582%0.817SS**PPolyproline II helixtrans-70.3123.4-179.4-163.3178.6-172.7-177.30110.3G161G161-K163 PolarHBondContact O-N 3.44Å
164G45.9Very low52.2Low68 Ų68138.2 Ų138.270%0.70182%0.823SS**PPolyproline II helixtrans-59.9146.5-178.800000114.1L162L162-G164 PolarHBondContact O-N 2.79Å
165H43.5Very low51.9Low182 Ų182138.7 Ų138.784%0.84382%0.82SS**PPolyproline II helixtrans-66.5142.4-177.6-53.5-55.5000112.4
166P58.4Low51.4Low129 Ų129139.5 Ų139.584%0.83883%0.828SS**PPolyproline II helixtrans-64.2138.2177.3-19.531.8000112.8
167G44.7Very low50.8Low71 Ų71142.2 Ų142.273%0.73283%0.829SS**PPolyproline II helixtrans-68.2148.9177.200000113.5
168I49.3Very low49.9Very low168 Ų168143 Ų14386%0.86283%0.832SS**PPolyproline II helixtrans-65.5131.1-177.6-49.5168.3000109.7
169P53.8Low49.5Very low120 Ų120143.6 Ų143.678%0.77984%0.838SS**PPolyproline II helixtrans-61.6139.1177.8-23.834000113.5
170G45.4Very low48.9Very low77 Ų77141 Ų14179%0.79484%0.835SS**PPolyproline II helixtrans-70.7143.7179.500000113.7
171L47.8Very low48.2Very low182 Ų182139.4 Ų139.495%0.95384%0.835SS**PPolyproline II helixtrans-64.6134.9179.2-73.6163.7000111.9
172Q50Low47.9Very low191 Ų191143.3 Ų143.389%0.89384%0.837SS**PPolyproline II helixtrans-67.8129.6-179.8-170.6173.314.600111.4
173G48.7Very low47.8Very low72 Ų72140.6 Ų140.674%0.74283%0.83SS**PPolyproline II helixtrans-66.4137.1-179.400000113.3
174Q45.3Very low47.2Very low200 Ų200135 Ų13594%0.93583%0.828SS**PPolyproline II helixtrans-71.1132176.5-74.6-176.1-4.700111.5
175K50.2Low47.2Very low202 Ų202136.4 Ų136.488%0.87883%0.833SS**PPolyproline II helixtrans-69133.9176.1-178.7-177.8178.7-174.20110.4
176G51.5Low47.6Very low72 Ų72133.9 Ų133.974%0.74283%0.833SS**PPolyproline II helixtrans-72.214718000000114.4
177E45.5Very low47.1Very low195 Ų195131.3 Ų131.391%0.91183%0.83SS**  trans-115.5143.3170.6-71.5-170.4154.100111.4
178R43.8Very low47.2Very low250 Ų250133 Ų13394%0.94384%0.837SS**  trans-79.2151.8-173.9-78.7179.2-71.4-143.6-3.5112.2
179G46.5Very low47.1Very low75 Ų75132.7 Ų132.777%0.77384%0.837SS**  trans-82.6177.2-167.300000118.3
180V39Very low46.7Very low144 Ų144130.3 Ų130.387%0.87384%0.835SS**  trans-147.4131.6163.9177.90000106.9
181G43.6Very low46.7Very low72 Ų72136.3 Ų136.374%0.74284%0.842SS**  trans-82.2153179.200000113.6
182I45.6Very low47.1Very low159 Ų159134.5 Ų134.582%0.81584%0.838SS**  trans-134.7130169.7-52.3178.9000108.6
183P46.9Very low47.3Very low125 Ų125128 Ų12881%0.81282%0.823SS**PPolyproline II helixtrans-62.6161.8-177.8-24.134.3000116.7
184G45.6Very low47.9Very low80 Ų80131.1 Ų131.183%0.82583%0.83SS**PPolyproline II helixtrans-71157.3-165.900000118
185A47.1Very low48.3Very low98 Ų98130.4 Ų130.481%0.8183%0.829SS**PPolyproline II helixtrans-93.6133.6176.100000111.6
186P51.2Low48.5Very low129 Ų129123.6 Ų123.684%0.83882%0.816SS**PPolyproline II helixtrans-61152.1177.3-23.833.7000114.9
187G47.5Very low48.8Very low75 Ų75126.6 Ų126.677%0.77382%0.822SS**PPolyproline II helixtrans-66.8148.5-17500000115.3
188A46.8Very low49.3Very low106 Ų106123.2 Ų123.288%0.87682%0.82SS**PPolyproline II helixtrans-82.5125.5172.900000110.8
189N48.3Very low49.3Very low162 Ų162115 Ų11587%0.86681%0.813SS**PPolyproline II helixtrans-62.5149.5175.8-87.1-16.6000112.8
190G45.4Very low49.4Very low71 Ų71120.5 Ų120.573%0.73282%0.821SS**PPolyproline II helixtrans-64.8151.4-171.900000115.6V192G190-V192 PolarHBondContact O-N 2.97Å
191Q44.8Very low50.1Low203 Ų203119.9 Ų119.995%0.94982%0.82SS**PPolyproline II helixtrans-74.8122.8169.2-71.9-175.5-36.300109.9
192V55.4Low50.4Low143 Ų143120 Ų12087%0.86782%0.821SS**PPolyproline II helixtrans-64.8133.2173.4174.80000109.6G190G190-V192 PolarHBondContact O-N 2.97Å
193G55.4Low50.4Low56 Ų56121.6 Ų121.658%0.57783%0.825SS**PPolyproline II helixtrans-67.3152.3-17800000113.6M195G193-M195 PolarHBondContact O-N 2.79Å
194P60.4Low50.4Low137 Ų137121.8 Ų121.889%0.8983%0.826SS**PPolyproline II helixtrans-66.7130.2177.325.9-31.7000111.7
195M54.6Low50.4Low184 Ų184121.3 Ų121.391%0.90682%0.822SS**PPolyproline II helixtrans-52.6132175.9179.3167.454.800112.5G193G193-M195 PolarHBondContact O-N 2.79Å
196G53.4Low50.2Low60 Ų60124.3 Ų124.362%0.61983%0.829SS**PPolyproline II helixtrans-69.1149.3-179.500000113.2
197P58.6Low49.6Very low134 Ų134121.2 Ų121.287%0.8782%0.821SS**PPolyproline II helixtrans-74.2129.4174.827.6-30.6000111.6
198S54.5Low49.2Very low125 Ų125127.3 Ų127.387%0.87483%0.826SS**PPolyproline II helixtrans-64.7144.2170-88.70000112.2
199G44.1Very low49.2Very low76 Ų76128.1 Ų128.178%0.78483%0.826SS**PPolyproline II helixtrans-72.3154.9-173.800000115.6
200M49.8Very low49.1Very low191 Ų191124.1 Ų124.194%0.94182%0.823SS**PPolyproline II helixtrans-97.8134.3166.3-76.5-175.5139.900110.4
201P53.9Low49Very low132 Ų132125.7 Ų125.786%0.85783%0.828SS**PPolyproline II helixtrans-68.4147.2174.7-16.830.3000113.1
202G48.8Very low49.3Very low74 Ų74123 Ų12376%0.76383%0.826SS**PPolyproline II helixtrans-84.5166.7-171.800000116.7
203Q45.2Very low48.8Very low193 Ų193119 Ų11990%0.90281%0.814SS**  trans-138.2151.8159.7-88.4-171.4-12.300111.6
204P47.3Very low48.5Very low128 Ų128127 Ų12783%0.83183%0.828SS**  trans-99.8138.4-153.70.222.2000116
205G46.7Very low48.6Very low71 Ų71126.3 Ų126.373%0.73282%0.824SS**  trans27.1127142.400000124
206V42.2Very low48.3Very low160 Ų160121 Ų12197%0.9782%0.816SS**  trans-167.4133132.4-179.80000105.9
207G39.5Very low48.2Very low64 Ų64126.6 Ų126.666%0.6683%0.826SS**  cis-177.3154.9-300000110.8
208K38.6Very low48.4Very low204 Ų204126.1 Ų126.189%0.88782%0.823SS**  trans71.499.4148.6-61.1-173-178.51800121.3
209S46.2Very low48.3Very low123 Ų123123.5 Ų123.586%0.8682%0.816SS**  67.7119.7121.458.60000121.6
210G46.5Very low48.5Very low78 Ų78129.3 Ų129.380%0.80482%0.82SS**  trans-158.7138.5152.700000109.2
211A42.6Very low48.6Very low103 Ų103125.9 Ų125.985%0.85182%0.815SS**PPolyproline II helixtrans-63.4152.1-156.100000117.5G213A211-G213 PolarHBondContact O-N 2.86Å
212T51.3Low48.6Very low146 Ų146123 Ų12390%0.89681%0.808SS**PPolyproline II helixtrans-47.3119.2176.2-42.50000113.7
213G45.5Very low48.5Very low61 Ų61125.7 Ų125.763%0.62981%0.811SS**PPolyproline II helixtrans-94.3146.5167.200000111.9A211A211-G213 PolarHBondContact O-N 2.86Å
214Y48.5Very low49.4Very low222 Ų222122.4 Ų122.487%0.87181%0.806SS**  trans-42.2153.7-169-60.5-89.8000118.5G216Y214-G216 PolarHBondContact O-N 2.85Å
215P62.1Low49.7Very low124 Ų124119.4 Ų119.481%0.80580%0.799SS**PPolyproline II helixtrans-54.3134.5171-2030.7000111.6
216G48.4Very low50Low71 Ų71127.9 Ų127.973%0.73281%0.808SS**PPolyproline II helixtrans-59.4139.2176.600000112Y214Y214-G216 PolarHBondContact O-N 2.85Å
217E51.2Low50.9Low178 Ų178128 Ų12883%0.83280%0.803SS**PPolyproline II helixtrans-51.8132.3175.4-70.9-178.2141.600110.9G219E217-G219 PolarHBondContact O-N 2.93Å
218P64.1Low51.6Low124 Ų124128.2 Ų128.281%0.80581%0.806SS**PPolyproline II helixtrans-53131.9167.1-25.234.2000110.5K220P218-K220 PolarHBondContact O-N 3.39Å
219G51.8Low52.2Low71 Ų71123 Ų12373%0.73280%0.801SS**PPolyproline II helixtrans-52.3132.2-177.400000112.3E217 S221E217-G219 PolarHBondContact O-N 2.93Å; G219-S221 PolarHBondContact O-N 3.46Å; G219-S221 VanDerWaalsContact O-N 3.1Å
220K47.6Very low53Low198 Ų198123.4 Ų123.486%0.86180%0.8SS**PPolyproline II helixtrans-54.3116.6175.7-64.7177.8-178.8178.90109.1P218 G222P218-K220 PolarHBondContact O-N 3.39Å; K220-G222 PolarHBondContact O-N 2.83Å
221S53.7Low53.5Low119 Ų119123 Ų12383%0.83280%0.797SS**PPolyproline II helixtrans-56.8135.8170.3-59.90000109.5G219G219-S221 PolarHBondContact O-N 3.46Å; G219-S221 VanDerWaalsContact O-N 3.1Å
222G52Low53.9Low70 Ų70123.2 Ų123.272%0.72280%0.798SS**PPolyproline II helixtrans-54.9140.217800000111.1K220 P224K220-G222 PolarHBondContact O-N 2.83Å; G222-P224 WeakPolarHBondContact O-CD 3.23Å
223T47.3Very low54Low132 Ų132125.2 Ų125.281%0.8180%0.8SS**PPolyproline II helixtrans-57126.6171.848.30000109.1G225T223-G225 PolarHBondContact O-N 3.45Å
224P64.3Low54.3Low123 Ų123125.3 Ų125.380%0.79980%0.8SS**PPolyproline II helixtrans-51.1138.1167.4-2635000110.1G222G222-P224 WeakPolarHBondContact O-CD 3.23Å
225G53.5Low54.3Low66 Ų66123.8 Ų123.868%0.6880%0.801SS**PPolyproline II helixtrans-54143-178.100000111.7T223 D227T223-G225 PolarHBondContact O-N 3.45Å; G225-D227 PolarHBondContact O-N 3.13Å; G225-D227 VanDerWaalsContact O-N 3.17Å
226R53.4Low54.3Low249 Ų249124 Ų12494%0.9480%0.802SS**PPolyproline II helixtrans-51.9120.8171.8-107.9178.5159.6178.9-5.5109.2G228R226-G228 PolarHBondContact O-N 3.11Å
227D60.2Low54.4Low162 Ų162123.6 Ų123.687%0.86680%0.799SS**PPolyproline II helixtrans-55131.6166.7-69-35.7000109.2G225G225-D227 PolarHBondContact O-N 3.13Å; G225-D227 VanDerWaalsContact O-N 3.17Å
228G54.2Low54.4Low69 Ų69121.5 Ų121.571%0.71180%0.801SS**PPolyproline II helixtrans-61.6142.7-179.400000111.5R226R226-G228 PolarHBondContact O-N 3.11Å
229A52Low54.1Low95 Ų95125.3 Ų125.379%0.78580%0.804SS**PPolyproline II helixtrans-53.8134.2174.600000110.5G231A229-G231 PolarHBondContact O-N 2.64Å
230P63.5Low53.6Low130 Ų130124.7 Ų124.784%0.84480%0.799SS**PPolyproline II helixtrans-55.6125.9173-2433.1000110.3
231G57.3Low53.4Low71 Ų71124.6 Ų124.673%0.73280%0.801SS**PPolyproline II helixtrans-59.6146.3178.500000111.9A229 M233A229-G231 PolarHBondContact O-N 2.64Å; G231-M233 PolarHBondContact O-N 3.18Å
232A50.3Low53.2Low107 Ų107126.6 Ų126.688%0.88480%0.802SS**PPolyproline II helixtrans-54.3123.7178.100000110.9G234A232-G234 PolarHBondContact O-N 3.49Å
233M52.4Low52.5Low188 Ų188126.7 Ų126.793%0.92680%0.803SS**PPolyproline II helixtrans-60.7121.5175-171.7178.8-70.500109.2G231G231-M233 PolarHBondContact O-N 3.18Å
234G52.4Low52.2Low62 Ų62128.5 Ų128.564%0.63981%0.808SS**PPolyproline II helixtrans-61.2144.2-179.600000112.2A232A232-G234 PolarHBondContact O-N 3.49Å
235Q47.6Very low51.2Low190 Ų190128.8 Ų128.889%0.88881%0.81SS**PPolyproline II helixtrans-57.1132.8175.5-67.5-175.20.700110.5G237Q235-G237 PolarHBondContact O-N 2.95Å
236P63.4Low50.4Low128 Ų128129.3 Ų129.383%0.83182%0.815SS**PPolyproline II helixtrans-56.1126.8172.1-24.433.7000110.9
237G49.9Very low50Low64 Ų64124.9 Ų124.966%0.6682%0.815SS**PPolyproline II helixtrans-61.9148.9-179.900000112.4Q235 K239Q235-G237 PolarHBondContact O-N 2.95Å; G237-K239 PolarHBondContact O-N 3.39Å
238P51Low49Very low133 Ų133120.6 Ų120.686%0.86481%0.809SS**PPolyproline II helixtrans-60.2128.217824.5-32.1000110.2G240P238-G240 PolarHBondContact O-N 3.1Å
239K57.2Low48.5Very low204 Ų204122 Ų12289%0.88781%0.814SS**PPolyproline II helixtrans-58.1128177.5-166.3175.3-177.71790109.6G237G237-K239 PolarHBondContact O-N 3.39Å
240G41.9Very low48.2Very low59 Ų59123.7 Ų123.761%0.60882%0.817SS**PPolyproline II helixtrans-60.3147.8-17600000113.9P238 N242P238-G240 PolarHBondContact O-N 3.1Å; G240-N242 PolarHBondContact O-N 2.86Å
241H43.9Very low47.1Very low196 Ų196121 Ų12191%0.90781%0.813SS**PPolyproline II helixtrans-69.2122.7175.2-66.176.9000109.8
242N48.8Very low46.6Very low160 Ų160128.2 Ų128.286%0.85682%0.824SS**PPolyproline II helixtrans-76.5127.4166.1-82.114.1000109.1G240G240-N242 PolarHBondContact O-N 2.86Å
243G38.1Very low46.4Very low72 Ų72128.9 Ų128.974%0.74282%0.823SS**PPolyproline II helixtrans-73151-18000000113.9
244N41.2Very low46.2Very low170 Ų170123.5 Ų123.591%0.90982%0.815SS**PPolyproline II helixtrans-70.8142.1177.4-66.5-32.6000112.8
245P43.1Very low46Very low130 Ų130130.5 Ų130.584%0.84483%0.831SS**  trans-137.4145130.629.4-13.2000110.3
246G37.1Very low45.9Very low76 Ų76129.2 Ų129.278%0.78483%0.83SS**  cis-177.7162.85.600000106.1
247V44.8Very low45.3Very low157 Ų157126.2 Ų126.295%0.95282%0.823SS**  trans-66.2143-160.9-178.50000115.3
248G39Very low44.9Very low72 Ų72128.6 Ų128.674%0.74283%0.83SS**  trans-176.794.2159.600000113.2
249A43.5Very low45.2Very low99 Ų99128.2 Ų128.282%0.81883%0.827SS**  trans-78.3140.4175.300000111.6
250P44.7Very low44.8Very low130 Ų130121.9 Ų121.984%0.84482%0.819SS**  -151.1146.4113.128.4-7.7000117.1
251G41.6Very low45Very low74 Ų74127.4 Ų127.476%0.76383%0.832SS**  trans100.8109.4145.500000118.5S253G251-S253 PolarHBondContact O-N 2.85Å
252K46.6Very low45.9Very low222 Ų222123.8 Ų123.897%0.96583%0.826SS**  trans-76.8114.7168.6-67-179.3178.2-177.10110.2
253S45.9Very low46Very low121 Ų121119.6 Ų119.685%0.84682%0.82SS**  trans-100.6140.5167.3-59.80000110.1G251G251-S253 PolarHBondContact O-N 2.85Å
254G48.4Very low46.7Very low75 Ų75123.8 Ų123.877%0.77383%0.825SS**  trans-63158-160.900000117N256G254-N256 PolarHBondContact O-N 2.85Å; G254-N256 VanDerWaalsContact O-N 3.12Å
255E48.7Very low47.5Very low209 Ų209124.5 Ų124.598%0.97783%0.826SS**  trans-56.1110.2176.7-73.317814500111.1
256N45.8Very low48.2Very low162 Ų162120.9 Ų120.987%0.86681%0.812SS**PPolyproline II helixtrans-94.6133.4167.5-143.89.8000108.1G254G254-N256 PolarHBondContact O-N 2.85Å; G254-N256 VanDerWaalsContact O-N 3.12Å
257G49.1Very low49.2Very low65 Ų65123.6 Ų123.667%0.6782%0.816SS**PPolyproline II helixtrans-55.2146.2-172.600000113.8P259G257-P259 WeakPolarHBondContact O-CD 3.37Å
258S41.5Very low50Low115 Ų115125.7 Ų125.780%0.80481%0.812SS**PPolyproline II helixtrans-51.4122.8178.5510000111.8G260S258-G260 PolarHBondContact O-N 3.18Å
259P57.3Low50.8Low124 Ų124124.8 Ų124.881%0.80580%0.802SS**PPolyproline II helixtrans-59.7135.6169.7-21.933000110.6G257G257-P259 WeakPolarHBondContact O-CD 3.37Å
260G50.8Low51.4Low71 Ų71126.3 Ų126.373%0.73280%0.804SS**PPolyproline II helixtrans-57.4140.2177.400000111.9S258S258-G260 PolarHBondContact O-N 3.18Å
261M45.3Very low52.2Low176 Ų176128.8 Ų128.887%0.86780%0.804SS**PPolyproline II helixtrans-52.6128.7175.8-87.3167.557.700110.5G263M261-G263 PolarHBondContact O-N 3.21Å
262P62.2Low52.7Low120 Ų120128.2 Ų128.278%0.77980%0.799SS**PPolyproline II helixtrans-57.2130.6169.7-21.431.9000109.8
263G52.3Low52.8Low71 Ų71126.7 Ų126.773%0.73280%0.795SS**PPolyproline II helixtrans-57144175.800000111.4M261 M265M261-G263 PolarHBondContact O-N 3.21Å; G263-M265 PolarHBondContact O-N 3.43Å; G263-M265 VanDerWaalsContact O-N 3.12Å
264N51.9Low53.7Low161 Ų161125.5 Ų125.586%0.86179%0.792SS**PPolyproline II helixtrans-51.8120.2179.5-71.6-17000110.3G266N264-G266 PolarHBondContact O-N 2.86Å
265M58.6Low53.8Low185 Ų185125.5 Ų125.591%0.91179%0.792SS**PPolyproline II helixtrans-56.9124.2173.3-176.4168.75900108.9G263G263-M265 PolarHBondContact O-N 3.43Å; G263-M265 VanDerWaalsContact O-N 3.12Å
266G57.8Low54Low54 Ų54124.3 Ų124.356%0.55779%0.786SS**PPolyproline II helixtrans-55.8148.3177.700000111.2N264 K268N264-G266 PolarHBondContact O-N 2.86Å; G266-K268 PolarHBondContact O-N 3.47Å
267P57.2Low55Low133 Ų133122.4 Ų122.486%0.86478%0.783SS**PPolyproline II helixtrans-54.9126.9-179.123-32.2000109.6G269P267-G269 PolarHBondContact O-N 2.9Å; P267-G269 VanDerWaalsContact O-N 3.16Å
268K61.4Low55.1Low200 Ų200122.8 Ų122.887%0.8779%0.786SS**PPolyproline II helixtrans-53.1122.4173.5-175178.4179.6-1780107.7G266G266-K268 PolarHBondContact O-N 3.47Å
269G55.8Low55.6Low53 Ų53121.7 Ų121.755%0.54679%0.785SS.*PPolyproline II helixtrans-52.3145.117900000111P267 Q271P267-G269 PolarHBondContact O-N 2.9Å; P267-G269 VanDerWaalsContact O-N 3.16Å; G269-Q271 PolarHBondContact O-N 3.41Å
270P55.7Low56.1Low131 Ų131121.9 Ų121.985%0.85179%0.786SS**PPolyproline II helixtrans-54.5131.7-179.322.7-31.9000109.4G272P270-G272 PolarHBondContact O-N 2.82Å
271Q62.8Low56Low182 Ų182121.9 Ų121.985%0.8579%0.786SS**PPolyproline II helixtrans-57.2121.2174.6-179.9174.4-34.500108.1G269 H273G269-Q271 PolarHBondContact O-N 3.41Å; Q271-H273 PolarHBondContact O-N 2.79Å
272G50.7Low56.2Low63 Ų63121.2 Ų121.265%0.64978%0.784SS**PPolyproline II helixtrans-53.5137.7178.400000110.8P270 A274P270-G272 PolarHBondContact O-N 2.82Å; G272-A274 PolarHBondContact O-N 2.77Å
273H50.6Low55.6Low190 Ų190120.9 Ų120.988%0.8878%0.782SS**PPolyproline II helixtrans-53.1134178-66.5-76.9000110.3Q271 G275Q271-H273 PolarHBondContact O-N 2.79Å; H273-G275 PolarHBondContact O-N 3.46Å
274A63.4Low55.1Low96 Ų96121.3 Ų121.379%0.79379%0.786SS**PPolyproline II helixtrans-57.6130.7170.400000108.9G272 Q276G272-A274 PolarHBondContact O-N 2.77Å; A274-Q276 PolarHBondContact O-N 3.44Å
275G50.3Low54.9Low74 Ų74120.2 Ų120.276%0.76379%0.785SS**PPolyproline II helixtrans-55.6130.6178.200000110.5H273H273-G275 PolarHBondContact O-N 3.46Å
276Q53.2Low54.1Low184 Ų184114.7 Ų114.786%0.8678%0.775SS**PPolyproline II helixtrans-59.5138.2175.7-74.4-173.1-14.900109.9A274 G278A274-Q276 PolarHBondContact O-N 3.44Å; Q276-G278 PolarHBondContact O-N 3.29Å
277P67.9Low53.4Low123 Ų123121.2 Ų121.280%0.79979%0.788SS**PPolyproline II helixtrans-54.3131.7166.9-22.532.8000109.8A279P277-A279 PolarHBondContact O-N 3.32Å
278G50.8Low53.2Low72 Ų72121.1 Ų121.174%0.74279%0.787SS**PPolyproline II helixtrans-55.7139.5179.200000111.6Q276Q276-G278 PolarHBondContact O-N 3.29Å
279A50.9Low52.4Low93 Ų93115 Ų11577%0.76978%0.781SS**PPolyproline II helixtrans-54.3140.4178.200000111.2P277 G281P277-A279 PolarHBondContact O-N 3.32Å; A279-G281 PolarHBondContact O-N 3.36Å
280P68.4Low52Low127 Ų127117.4 Ų117.483%0.82580%0.796SS**PPolyproline II helixtrans-54.4131.8170.9-23.232.7000110.6I282P280-I282 PolarHBondContact O-N 3.18Å
281G48.2Very low51.8Low71 Ų71119 Ų11973%0.73280%0.797SS**PPolyproline II helixtrans-56.8135.5179.100000111.9A279A279-G281 PolarHBondContact O-N 3.36Å
282I50.1Low51Low163 Ų163113.9 Ų113.984%0.83679%0.793SS**PPolyproline II helixtrans-59.1128.8177.5-36.9168.3000108.6P280 G284P280-I282 PolarHBondContact O-N 3.18Å; I282-G284 PolarHBondContact O-N 3.5Å
283P50.6Low51Low113 Ų113119.2 Ų119.273%0.73480%0.804SS**PPolyproline II helixtrans-58.6120171.5-23.733.7000110.5V285P283-V285 PolarHBondContact O-N 2.76Å; P283-V285 VanDerWaalsContact O-N 3.14Å
284G41.7Very low51.3Low79 Ų79116 Ų11681%0.81480%0.8SS**  trans-63.7111.9-179.400000111.8I282 G286I282-G284 PolarHBondContact O-N 3.5Å; G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 3.12Å; G284-G286 VanDerWaalsContact O-N 3.09Å
285V46.8Very low50.7Low139 Ų139115.1 Ų115.184%0.84280%0.8SS**  trans-79.483.9164.9-1760000107.8P283 K287P283-V285 PolarHBondContact O-N 2.76Å; P283-V285 VanDerWaalsContact O-N 3.14Å; V285-K287 PolarHBondContact O-N 3.47Å
286G41.7Very low50.6Low68 Ų68119.6 Ų119.670%0.70181%0.806SS**  trans-76.4111.616900000110.3G284G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 3.12Å; G284-G286 VanDerWaalsContact O-N 3.09Å
287K43.8Very low50.4Low192 Ų192122.6 Ų122.684%0.83581%0.81SS**PPolyproline II helixtrans-69.3132.4162.7-69.1-178.8178.4-178.70108.6V285 G289V285-K287 PolarHBondContact O-N 3.47Å; K287-G289 PolarHBondContact O-N 2.79Å
288P52.1Low49.4Very low130 Ų130120 Ų12084%0.84481%0.806SS**PPolyproline II helixtrans-57.2133.1170.7-23.433.4000111
289G45.2Very low49Very low72 Ų72122.1 Ų122.174%0.74281%0.809SS**PPolyproline II helixtrans-64.4144.4-175.900000113.4K287K287-G289 PolarHBondContact O-N 2.79Å
290A46.4Very low48.9Very low103 Ų103123.7 Ų123.785%0.85181%0.811SS**PPolyproline II helixtrans-65.5139.7171.100000111G292A290-G292 PolarHBondContact O-N 3.28Å
291N51.5Low47.8Very low164 Ų164121.4 Ų121.488%0.87781%0.811SS**PPolyproline II helixtrans-56134.2174.4-83.6-1.3000111.2
292G47.7Very low47.5Very low75 Ų75125 Ų12577%0.77382%0.819SS**PPolyproline II helixtrans-64.8140.4178.400000113A290A290-G292 PolarHBondContact O-N 3.28Å
293M48.9Very low46.9Very low176 Ų176123.1 Ų123.187%0.86782%0.82SS**PPolyproline II helixtrans-66.1141.1171.9-77.1177.761.100111.2
294P57.2Low46.7Very low122 Ų122121.3 Ų121.379%0.79282%0.822SS**PPolyproline II helixtrans-60.9136.1169.8-19.331.5000111.4
295G50.9Low46.6Very low78 Ų78124.3 Ų124.380%0.80483%0.825SS**PPolyproline II helixtrans-68.6142.4-174.900000114.4
296D49Very low46.2Very low167 Ų167125 Ų12589%0.89383%0.83SS**PPolyproline II helixtrans-68.3139.1176.4-73.7-43000112.4
297R49.3Very low46.4Very low247 Ų247124.8 Ų124.893%0.93283%0.827SS**PPolyproline II helixtrans-65.5129.2-177.7-176.5-178.7-120.9163.1-2.2111.1
298G46Very low46Very low70 Ų70125 Ų12572%0.72283%0.831SS**PPolyproline II helixtrans-60.8142.1179.300000114
299S42.8Very low45.4Very low116 Ų116129 Ų12981%0.81184%0.835SS**PPolyproline II helixtrans-76.7140.9174.344.10000111.7
300P48.7Very low45.3Very low125 Ų125128.7 Ų128.781%0.81283%0.833SS**PPolyproline II helixtrans-69.3145.9-179.1-18.431.8000113.8
301G46.2Very low45.2Very low80 Ų80132.9 Ų132.983%0.82584%0.835SS**PPolyproline II helixtrans-71.8153.6-178.600000114.6
302T40Very low44.5Very low145 Ų145131.2 Ų131.289%0.8983%0.833SS**  trans-116.1140.5172.547.10000111.6
303S39Very low44.3Very low124 Ų124130.7 Ų130.787%0.86783%0.827SS**  trans-71.5156.6-168.8-560000114.8
304G45.7Very low44.3Very low75 Ų75128.2 Ų128.277%0.77382%0.824SS**  trans-80.4171.4-169.900000117.1
305T40.3Very low43.6Very low143 Ų143129.5 Ų129.588%0.87783%0.83SS**  trans-131.2114.7169.847.40000110.7
306T37.1Very low43.2Very low153 Ų153129 Ų12994%0.93983%0.825SS**  trans-65145.9156.2-46.60000108.5
307G46.7Very low42.7Very low63 Ų63132.1 Ų132.165%0.64983%0.826SS**  cis163143.9-2.400000107.1
308Q36.1Very low42.4Very low197 Ų197127.2 Ų127.292%0.92182%0.824SS**  trans-151.3116.6158.7-76.7-155.618.800112.2
309K38.7Very low42.4Very low213 Ų213127.2 Ų127.293%0.92682%0.823SS**  trans28.7131.4138.2-143.4179.2-171.3-173.20118.4
310G43.8Very low42.3Very low67 Ų67126.9 Ų126.969%0.69183%0.827SS**  cis144102.79.500000109.3
311E43.1Very low42.1Very low190 Ų190127.7 Ų127.789%0.88883%0.831SS**  trans100.4144.1131.5-85.5-169.8167.700115.4
312P37.8Very low42.1Very low130 Ų130126.8 Ų126.884%0.84482%0.821SS**  cis-127.4151.748.91411.1000117.3
313G42.9Very low42.3Very low63 Ų63125.1 Ų125.165%0.64982%0.822SS**  trans-95.6-160.2172.300000114
314P49.3Very low42.6Very low124 Ų124125.9 Ų125.981%0.80582%0.821SS**  -124.1155.1-64.636.1-25.3000111.9
315T41.9Very low42.6Very low149 Ų149125.3 Ų125.391%0.91482%0.815SS**  trans-109.9124.5157.2-54.40000108.3
316G42.6Very low42.8Very low67 Ų67127.1 Ų127.169%0.69182%0.819SS**  trans-66.8155-159.700000117.4
317Y39.6Very low43.1Very low233 Ų233128.3 Ų128.391%0.91482%0.816SS**  trans-74.7141.5-177.2-68.4-91000113.9
318T41.9Very low43.5Very low145 Ų145127.9 Ų127.989%0.8981%0.811SS**  trans-115.8128.9150.200000108.3
319G45.5Very low44.4Very low69 Ų69124.7 Ų124.771%0.71181%0.808SS**PPolyproline II helixtrans-66.4142-163.100000115.6T321G319-T321 PolarHBondContact O-N 2.94Å
320A41.5Very low45.1Very low109 Ų109118.9 Ų118.990%0.90180%0.8SS**PPolyproline II helixtrans-72.7116.7170.300000110.3
321T44.2Very low45.6Very low143 Ų143118.6 Ų118.688%0.87780%0.797SS**PPolyproline II helixtrans-85.3149.1167.5-550000108.9G319G319-T321 PolarHBondContact O-N 2.94Å
322G46.9Very low46Very low60 Ų60116 Ų11662%0.61980%0.796SS**PPolyproline II helixtrans-54.1158.8-157.800000118T324G322-T324 PolarHBondContact O-N 2.93Å
323A44.1Very low46.7Very low111 Ų111118.5 Ų118.592%0.91780%0.797SS**  trans-57105.9179.400000111.7
324T45.5Very low47.1Very low139 Ų139118.4 Ų118.485%0.85380%0.796SS**  trans-61.9133.3166.7-49.50000109.1G322G322-T324 PolarHBondContact O-N 2.93Å
325G45.3Very low47Very low63 Ų63117.4 Ų117.465%0.64980%0.798SS**  trans-52.3148.8-178.900000113.2M327G325-M327 PolarHBondContact O-N 2.88Å
326L43.7Very low47.5Very low182 Ų182121.4 Ų121.495%0.95380%0.796SS**  trans-51.1113.5179.7-70.3169.8000110.6G328L326-G328 PolarHBondContact O-N 2.99Å
327M43.2Very low47.7Very low177 Ų177121.3 Ų121.387%0.87280%0.796SS**PPolyproline II helixtrans-60.7130.6169.2-174.9168.164.800108.4G325G325-M327 PolarHBondContact O-N 2.88Å
328G54.9Low47.9Very low54 Ų54120.2 Ų120.256%0.55780%0.796SS**PPolyproline II helixtrans-53.6149.5174.100000110.9L326 A330L326-G328 PolarHBondContact O-N 2.99Å; G328-A330 PolarHBondContact O-N 2.81Å
329P56.2Low48.4Very low131 Ų131122.4 Ų122.485%0.85180%0.796SS**PPolyproline II helixtrans-53.9133.5-177.322-32000110.3G331P329-G331 PolarHBondContact O-N 2.91Å
330A53.1Low48.6Very low91 Ų91122.2 Ų122.275%0.75279%0.794SS**PPolyproline II helixtrans-54.2136.4175.100000109.6G328G328-A330 PolarHBondContact O-N 2.81Å
331G54.4Low49Very low61 Ų61125.9 Ų125.963%0.62979%0.792SS**PPolyproline II helixtrans-53.4146.2170.300000110.1P329 Q333P329-G331 PolarHBondContact O-N 2.91Å; G331-Q333 PolarHBondContact O-N 3.48Å; G331-Q333 VanDerWaalsContact O-N 3.16Å
332P51.9Low49.6Very low134 Ų134125.1 Ų125.187%0.8779%0.79SS**PPolyproline II helixtrans-53.6126.1-17521.2-31.9000110.1G334P332-G334 PolarHBondContact O-N 2.76Å
333Q52.5Low49.9Very low184 Ų184125.8 Ų125.886%0.8680%0.797SS**PPolyproline II helixtrans-54.2123.9174.3-176.5176-54.200108.5G331 A335G331-Q333 PolarHBondContact O-N 3.48Å; G331-Q333 VanDerWaalsContact O-N 3.16Å; Q333-A335 PolarHBondContact O-N 2.88Å
334G50.7Low50Low61 Ų61127.7 Ų127.763%0.62980%0.797SS**PPolyproline II helixtrans-52.1137.4175.700000110.5P332 R336P332-G334 PolarHBondContact O-N 2.76Å; G334-R336 PolarHBondContact O-N 3.33Å
335A47.1Very low50.2Low103 Ų103130.2 Ų130.285%0.85180%0.799SS**PPolyproline II helixtrans-50.9127.7-179.400000110.4Q333 G337Q333-A335 PolarHBondContact O-N 2.88Å; A335-G337 PolarHBondContact O-N 3.2Å
336R51.6Low50.5Low232 Ų232130.4 Ų130.488%0.87580%0.801SS**PPolyproline II helixtrans-56.5122.3172.1-170.5178.6-167.6177.12.9107.6G334 F338G334-R336 PolarHBondContact O-N 3.33Å; R336-F338 PolarHBondContact O-N 3.32Å
337G48.6Very low50.4Low66 Ų66127.4 Ų127.468%0.6880%0.795SS**PPolyproline II helixtrans-53.8137.6176.800000110.9A335 Q339A335-G337 PolarHBondContact O-N 3.2Å; G337-Q339 PolarHBondContact O-N 2.8Å
338F43.9Very low50.6Low209 Ų209128.7 Ų128.792%0.91780%0.796SS**PPolyproline II helixtrans-55.2134.1176.6-70.9-85.9000110.4R336 G340R336-F338 PolarHBondContact O-N 3.32Å; F338-G340 PolarHBondContact O-N 2.82Å
339Q50.7Low50.4Low192 Ų192129.3 Ų129.390%0.89780%0.802SS**PPolyproline II helixtrans-61.1124.5169.3-178.3174.3-7.200108.1G337G337-Q339 PolarHBondContact O-N 2.8Å
340G51.3Low49.8Very low64 Ų64130.9 Ų130.966%0.6680%0.803SS**PPolyproline II helixtrans-59.7137.317800000111.2F338F338-G340 PolarHBondContact O-N 2.82Å
341E49.9Very low49.4Very low187 Ų187133.3 Ų133.387%0.87481%0.808SS**PPolyproline II helixtrans-55.2139.5171.8-78.8-178.7125.600110.6G343E341-G343 PolarHBondContact O-N 2.85Å
342P56.7Low48.9Very low126 Ų126133.8 Ų133.882%0.81881%0.813SS**PPolyproline II helixtrans-55.8129.3169-22.833.3000110.5V344P342-V344 PolarHBondContact O-N 2.99Å
343G51.8Low48.4Very low75 Ų75136.2 Ų136.277%0.77382%0.815SS**PPolyproline II helixtrans-58.2135.5179.100000112E341 Q345E341-G343 PolarHBondContact O-N 2.85Å; G343-Q345 PolarHBondContact O-N 3.45Å
344V46Very low47.8Very low151 Ų151135.9 Ų135.992%0.91582%0.818SS**PPolyproline II helixtrans-54126171-98.50000110.5P342 G346P342-V344 PolarHBondContact O-N 2.99Å; V344-G346 PolarHBondContact O-N 3.47Å
345Q50Low47.5Very low192 Ų192136.2 Ų136.290%0.89782%0.821SS**PPolyproline II helixtrans-56.7120.1174.9-179.9176-11.600110G343G343-Q345 PolarHBondContact O-N 3.45Å
346G51.2Low47.2Very low66 Ų66135.8 Ų135.868%0.6882%0.818SS**PPolyproline II helixtrans-61.1139.417800000112.1V344 K348V344-G346 PolarHBondContact O-N 3.47Å; G346-K348 PolarHBondContact O-N 2.82Å
347S42.8Very low47Very low120 Ų120131.2 Ų131.284%0.83982%0.818SS**PPolyproline II helixtrans-59.1133.3171.441.90000110.6G349S347-G349 PolarHBondContact O-N 2.84Å
348K47.5Very low46.8Very low204 Ų204131.8 Ų131.889%0.88782%0.824SS**PPolyproline II helixtrans-54.1121.3175.4-176.1179.4-178.8-179.10109.6G346G346-K348 PolarHBondContact O-N 2.82Å
349G51.4Low46.7Very low66 Ų66127 Ų12768%0.6882%0.824SS**PPolyproline II helixtrans-66.7139.8176.300000112.1S347S347-G349 PolarHBondContact O-N 2.84Å
350D42.3Very low46.2Very low164 Ų164128 Ų12888%0.87783%0.825SS**PPolyproline II helixtrans-62.7142.4173.1-70-47.7000111.6G352D350-G352 PolarHBondContact O-N 3.24Å
351V44.4Very low46.1Very low143 Ų143128.3 Ų128.387%0.86783%0.828SS**  trans-65113.8-177.2174.70000110.2
352G45.7Very low45.4Very low70 Ų70126.6 Ų126.672%0.72283%0.83SS**PPolyproline II helixtrans-75134.7168.900000112.1D350D350-G352 PolarHBondContact O-N 3.24Å
353M39.4Very low44.5Very low186 Ų186130.8 Ų130.892%0.91684%0.836SS**PPolyproline II helixtrans-62.6144.2-179.5-72.8173.353.700113.7G355M353-G355 PolarHBondContact O-N 2.83Å
354L40.4Very low44.5Very low177 Ų177130 Ų13093%0.92783%0.827SS**PPolyproline II helixtrans-58.4120.6178.6-176.368.7000113
355G45.8Very low44Very low67 Ų67131.3 Ų131.369%0.69183%0.829SS**PPolyproline II helixtrans-92.3141.6169.900000112.6M353M353-G355 PolarHBondContact O-N 2.83Å
356A39.9Very low43.5Very low95 Ų95131 Ų13179%0.78583%0.828SS**PPolyproline II helixtrans-67.1154.3-170.900000115.2
357P46.5Very low43.1Very low135 Ų135131 Ų13188%0.87783%0.828SS**PPolyproline II helixtrans-64.5138.5-178.2-18.531.2000113.9
358G46.1Very low42.9Very low78 Ų78134.7 Ų134.780%0.80483%0.832SS**PPolyproline II helixtrans-76.6148-179.800000114.8
359A41.1Very low42.5Very low110 Ų110133.7 Ų133.791%0.90983%0.83SS**PPolyproline II helixtrans-74.4140.6173.200000112
360K39.9Very low42Very low213 Ų213134.3 Ų134.393%0.92684%0.836SS**PPolyproline II helixtrans-77.7147-172.9-168.3174.9-176.6178.40111.7
361G48.3Very low42Very low70 Ų70137.4 Ų137.472%0.72284%0.837SS**  trans-82.2-173.4-160.100000118
362T35.7Very low42Very low151 Ų151135.3 Ų135.393%0.92684%0.835SS**  trans-126.8130.6155.8470000109.9
363K39.2Very low42.3Very low214 Ų214135.7 Ų135.793%0.9384%0.839SS**  trans-90.3147.1173.7170.2-173-178179.10106.4
364G50.4Low42.5Very low58 Ų58136.8 Ų136.860%0.59884%0.839SS**  cis169167.71.700000105.5
365D36.8Very low42.8Very low179 Ų179132.9 Ų132.996%0.95783%0.832SS**  trans-160.4157150.3-92.9-25.6000110.2
366Q38.3Very low43.1Very low186 Ų186133 Ų13387%0.86983%0.834SS**  trans-102.6132.8-133.1175.5-179.4-38.300115.4
367G43.8Very low43.3Very low66 Ų66136.6 Ų136.668%0.6884%0.837SS**  trans32.5117144.200000122.7
368H37.7Very low44.1Very low197 Ų197135.6 Ų135.691%0.91283%0.831SS**  trans-119.4143.1145.4-72.7-66.1000111.6
369Q40.6Very low44.7Very low183 Ų183135.5 Ų135.586%0.85583%0.83SS**PPolyproline II helixtrans-47.1141.3-167.3-158.1170.3-18.900116.3
370G40.9Very low45Very low79 Ų79135.4 Ų135.481%0.81483%0.829SS**PPolyproline II helixtrans-72.2137.7-175.800000114.5
371Y42Very low45.9Very low229 Ų229130 Ų13090%0.89882%0.824SS**PPolyproline II helixtrans-101.2129.7165.5-72.9-81.4000109.8
372A44.5Very low46.4Very low98 Ų98129.6 Ų129.681%0.8182%0.82SS**PPolyproline II helixtrans-58140.9177.300000112.1K374A372-K374 PolarHBondContact O-N 3.48Å
373G51.3Low47.4Very low79 Ų79128.3 Ų128.381%0.81482%0.815SS**PPolyproline II helixtrans-60.1131.9178.100000112
374K42.7Very low48.6Very low209 Ų209124.3 Ų124.391%0.90981%0.81SS**PPolyproline II helixtrans-68.2128.6173.9-67.1-172.1177.6-171.50109.9A372A372-K374 PolarHBondContact O-N 3.48Å
375A46.6Very low49Very low95 Ų95124.9 Ų124.979%0.78582%0.816SS**PPolyproline II helixtrans-60.9146.5171.400000111.5
376G53.5Low49.7Very low70 Ų70121.6 Ų121.672%0.72281%0.814SS**PPolyproline II helixtrans-59.9144.9175.300000112.1P378G376-P378 VanDerWaalsContact O-CD 3.31Å; G376-P378 WeakPolarHBondContact O-CD 3.46Å
377I43.9Very low50.5Low169 Ų169119.2 Ų119.287%0.86781%0.812SS**PPolyproline II helixtrans-73.7119.4-176.9-44170.3000108.6
378P61.8Low50.9Low114 Ų114118.9 Ų118.974%0.7481%0.808SS**PPolyproline II helixtrans-65.5144.3170.9-20.434.1000111.5G376G376-P378 VanDerWaalsContact O-CD 3.31Å; G376-P378 WeakPolarHBondContact O-CD 3.46Å
379G58.8Low51.4Low76 Ų76114.7 Ų114.778%0.78481%0.808SS**PPolyproline II helixtrans-59.8148.6177.600000112.9A381G379-A381 PolarHBondContact O-N 3.44Å
380A49.1Very low51.9Low108 Ų108112 Ų11289%0.89380%0.804SS**PPolyproline II helixtrans-59128.418000000111.7
381A58Low52.2Low99 Ų99111.4 Ų111.482%0.81880%0.799SS**PPolyproline II helixtrans-66.1138.3172.500000110.6G379G379-A381 PolarHBondContact O-N 3.44Å
382G58Low52.4Low62 Ų62110 Ų11064%0.63980%0.8SS**PPolyproline II helixtrans-63.8149.6173.800000111.9
383P58.3Low52.5Low125 Ų125114.8 Ų114.881%0.81281%0.805SS**PPolyproline II helixtrans-63.3137.117924.7-32000111.3
384P64.7Low52Low129 Ų129114.3 Ų114.384%0.83880%0.801SS**PPolyproline II helixtrans-58.2140.6173.6-23.933.5000112.4
385G57.4Low52.1Low70 Ų70112.7 Ų112.772%0.72280%0.802SS**PPolyproline II helixtrans-63.9146.5174.800000112.5T387G385-T387 PolarHBondContact O-N 3.16Å
386A50.9Low51.9Low110 Ų110118.5 Ų118.591%0.90981%0.809SS**PPolyproline II helixtrans-64121.3178.400000111.3G388A386-G388 PolarHBondContact O-N 2.98Å
387T55.1Low51.6Low137 Ų137118.8 Ų118.884%0.8481%0.812SS**PPolyproline II helixtrans-62.1127.6176.3-47.60000111G385G385-T387 PolarHBondContact O-N 3.16Å
388G52.8Low51.3Low58 Ų58115.9 Ų115.960%0.59881%0.814SS**PPolyproline II helixtrans-65.3140.4174.400000112.4A386 T390A386-G388 PolarHBondContact O-N 2.98Å; G388-T390 PolarHBondContact O-N 3.43Å; G388-T390 VanDerWaalsContact O-N 3.13Å
389A47.8Very low50.5Low110 Ų110120 Ų12091%0.90982%0.823SS**  trans-61.611517500000110.1
390T51.5Low49.9Very low126 Ų126119 Ų11977%0.77381%0.813SS**  trans-75.4128.9176.5-58.10000109.2G388G388-T390 PolarHBondContact O-N 3.43Å; G388-T390 VanDerWaalsContact O-N 3.13Å
391G46.8Very low49.3Very low67 Ų67123.7 Ų123.769%0.69182%0.816SS**  trans-64.4141176.900000112.3Q393G391-Q393 PolarHBondContact O-N 3.15Å
392H47.5Very low48.5Very low200 Ų200123.8 Ų123.893%0.92682%0.817SS**  trans-68.9114.3175.9-68.1-66000110.7
393Q45.5Very low48.1Very low197 Ų197124.7 Ų124.792%0.92183%0.826SS**PPolyproline II helixtrans-76136.4169.3-170.4173.2-9.800109.8G391G391-Q393 PolarHBondContact O-N 3.15Å
394G41.8Very low47.1Very low70 Ų70124.2 Ų124.272%0.72283%0.826SS**PPolyproline II helixtrans-79.2165.6-155.900000118.3
395N44.9Very low46.2Very low175 Ų175123.9 Ų123.994%0.93682%0.824SS**PPolyproline II helixtrans-85.9127.1166.9-73-30.8000110.2
396K42.8Very low46Very low216 Ų216124.3 Ų124.394%0.93983%0.828SS**PPolyproline II helixtrans-90.1116.7177-174.4179.9-176.1179.70110.8
397G47Very low45.4Very low76 Ų76128.1 Ų128.178%0.78483%0.827SS**  trans95.7105.7136.800000119.6
398A36.8Very low45.1Very low108 Ų108127 Ų12789%0.89382%0.822SS**  trans-139.3130.5136.900000108.8
399Q44.6Very low44.9Very low201 Ų201127.6 Ų127.694%0.93983%0.828SS**  trans-88.2127.6-174174.3-179.7-45.200111.4
400G47.1Very low44.6Very low56 Ų56128.3 Ų128.358%0.57783%0.826SS**  trans85.5125.1145.900000118.4
401H37.3Very low44.1Very low205 Ų205130.2 Ų130.295%0.94983%0.832SS**  -163.9153.5129.3-82.9-50.3000110.4
402A39.3Very low44.2Very low102 Ų102130.5 Ų130.584%0.84383%0.834SS**  trans-67.6158.7-160.700000116.4
403G51.5Low43.9Very low80 Ų80129.7 Ų129.783%0.82584%0.836SS**  trans-74.4165.8-175.200000115.9
404S35.7Very low44.1Very low116 Ų116125 Ų12581%0.81183%0.831SS**  trans-158.4165.1167.872.20000108.3
405P45.9Very low44.4Very low122 Ų122125.5 Ų125.579%0.79284%0.836SS**  -100.5155.1-99.1-7.929.4000114
406G53.7Low44.6Very low78 Ų78122.2 Ų122.280%0.80483%0.833SS**  trans-71.3147.9171.400000112.8
407Q39.3Very low45Very low190 Ų190122 Ų12289%0.88883%0.832SS**  trans-138.1153.1171.7-110.2-160.64.200110.5
408P48.4Very low45.1Very low114 Ų114121.2 Ų121.274%0.7482%0.824SS**  -104.3154.1-102.1-1030.1000114.4
409G49Very low45.4Very low70 Ų70125 Ų12572%0.72282%0.823SS**PPolyproline II helixtrans-73.1146.2167.600000112.1N411G409-N411 PolarHBondContact O-N 3.26Å
410S41.5Very low46Very low126 Ų126121.8 Ų121.888%0.88182%0.82SS**PPolyproline II helixtrans-77.1119.716241.90000109.3
411N40.9Very low46.1Very low166 Ų166122.6 Ų122.689%0.88883%0.828SS**PPolyproline II helixtrans-59.4141.2175.5-82.1-13.7000112G409G409-N411 PolarHBondContact O-N 3.26Å
412G47.5Very low46.6Very low72 Ų72119.2 Ų119.274%0.74282%0.822SS**  trans-79.4175.3172.900000113.8
413L41.7Very low47.6Very low184 Ų184120.5 Ų120.596%0.96382%0.822SS**PPolyproline II helixtrans-95.1135.3161.4-73.9173.3000110
414A50.2Low47.8Very low99 Ų99120.5 Ų120.582%0.81882%0.822SS**PPolyproline II helixtrans-65146.7-175.200000113.1
415G46.7Very low49.1Very low79 Ų79118 Ų11881%0.81481%0.814SS**PPolyproline II helixtrans-72.6145.6176.400000113.3
416A49.9Very low49.9Very low107 Ų107118.5 Ų118.588%0.88482%0.817SS**PPolyproline II helixtrans-87.3126.3160.100000109.4
417K50.4Low50.2Low210 Ų210118.4 Ų118.491%0.91382%0.817SS**PPolyproline II helixtrans-81116.3177.5-175.5179.4-177.4179.50110.5
418G49.9Very low51Low60 Ų60118.8 Ų118.862%0.61982%0.815SS**  trans52.4127.5142.500000122.7
419H42.9Very low51.7Low189 Ų189119.4 Ų119.488%0.87582%0.819SS**  trans-129.1125.2146.4-53.8-50.8000109.7
420P56.4Low52.2Low133 Ų133119.8 Ų119.886%0.86482%0.823SS**  trans-74.3128169.1-13.828.8000112.7
421G49.6Very low52.9Low72 Ų72123 Ų12374%0.74283%0.825SS**  trans64.8124.813900000122.1
422T49Very low53.5Low135 Ų135120.9 Ų120.983%0.82882%0.823SS**  trans-134.8129.5134.749.10000109.7G424T422-G424 PolarHBondContact O-N 2.77Å
423P60.2Low53.8Low129 Ų129121.2 Ų121.284%0.83883%0.826SS**PPolyproline II helixtrans-62.5128.1170.1-21.633.1000110.8G425P423-G425 PolarHBondContact O-N 3.36Å
424G55.4Low54.5Low80 Ų80120 Ų12083%0.82582%0.819SS**PPolyproline II helixtrans-69.9125.1170.500000110.5T422T422-G424 PolarHBondContact O-N 2.77Å
425G63.3Low55Low64 Ų64121.1 Ų121.166%0.6682%0.817SS**PPolyproline II helixtrans-66.4168.3-179.400000114.4P423 G427P423-G425 PolarHBondContact O-N 3.36Å; G425-G427 PolarHBondContact O-N 2.89Å
426P61.9Low55.4Low131 Ų131121.1 Ų121.185%0.85182%0.817SS**PPolyproline II helixtrans-58.9132.8-175.3-20.931.7000112.7K428P426-K428 PolarHBondContact O-N 3.28Å
427G59.3Low55.5Low77 Ų77122.7 Ų122.779%0.79482%0.816SS**PPolyproline II helixtrans-64.4130.717200000111.1G425G425-G427 PolarHBondContact O-N 2.89Å
428K57.2Low56.1Low197 Ų197123.9 Ų123.986%0.85782%0.815SS**PPolyproline II helixtrans-65.9142.4177.3-58.6-177.8-179.3-174.20110.2P426 G430P426-K428 PolarHBondContact O-N 3.28Å; K428-G430 PolarHBondContact O-N 2.94Å
429P62.8Low56.5Low128 Ų128123.7 Ų123.783%0.83181%0.813SS**PPolyproline II helixtrans-56132.5172.3-22.432.6000110.9
430G59.1Low57Low78 Ų78120.9 Ų120.980%0.80481%0.811SS**PPolyproline II helixtrans-71.3133.1174.200000111.3K428K428-G430 PolarHBondContact O-N 2.94Å
431E57.3Low57.4Low194 Ų194121 Ų12191%0.90781%0.809SS**PPolyproline II helixtrans-64.5145.6173.7-75.9177.7143.700112.1G433E431-G433 PolarHBondContact O-N 3.14Å
432S53.1Low57.9Low121 Ų121120 Ų12085%0.84680%0.8SS**PPolyproline II helixtrans-60.5127.7176.5-580000112.1
433G53.4Low58Low78 Ų78119.9 Ų119.980%0.80480%0.801SS**PPolyproline II helixtrans-74.4140174.800000113.6E431E431-G433 PolarHBondContact O-N 3.14Å
434I56.4Low58.1Low160 Ų160119.5 Ų119.582%0.82180%0.801SS**PPolyproline II helixtrans-74.3144.7-172-37.2166.1000111G436I434-G436 PolarHBondContact O-N 2.85Å
435P61Low58.3Low121 Ų121118.7 Ų118.779%0.78679%0.793SS**PPolyproline II helixtrans-56.5132.1174.9-25.234000112.9
436G55.3Low57.8Low79 Ų79121.8 Ų121.881%0.81480%0.802SS**PPolyproline II helixtrans-64.9133.8179.800000112.8I434I434-G436 PolarHBondContact O-N 2.85Å
437T52.4Low57.7Low141 Ų141120.3 Ų120.387%0.86580%0.8SS**PPolyproline II helixtrans-69.1141.9174.146.20000111.3G439T437-G439 PolarHBondContact O-N 2.91Å
438R62.3Low57.6Low235 Ų235120.1 Ų120.189%0.88780%0.798SS**PPolyproline II helixtrans-52.8125175.6-177.1176.9-179.3176.91110.4
439G59.1Low57.3Low55 Ų55120 Ų12057%0.56780%0.801SS**PPolyproline II helixtrans-59.3147.9177.700000112.6T437T437-G439 PolarHBondContact O-N 2.91Å
440P51.6Low57Low131 Ų131118.6 Ų118.685%0.85180%0.8SS**PPolyproline II helixtrans-62.4142.9-179.326.4-33.5000111.2G442P440-G442 PolarHBondContact O-N 3.28Å
441V66.1Low56.7Low134 Ų134118.3 Ų118.381%0.81280%0.796SS**PPolyproline II helixtrans-57.5126.4172.9177.10000108.5
442G58.7Low56.3Low53 Ų53117.5 Ų117.555%0.54680%0.798SS.*PPolyproline II helixtrans-58.7144.7177.900000111.3P440 S444P440-G442 PolarHBondContact O-N 3.28Å; G442-S444 PolarHBondContact O-N 3.48Å
443P52.8Low56.4Low131 Ų131123.2 Ų123.285%0.85180%0.8SS**PPolyproline II helixtrans-59.8134.8-177.824.9-33000110.4G445P443-G445 PolarHBondContact O-N 3.38Å
444S62.4Low56.5Low121 Ų121122.7 Ų122.785%0.84680%0.795SS**PPolyproline II helixtrans-52.8129.3171.7-58.10000109.6G442G442-S444 PolarHBondContact O-N 3.48Å
445G58.9Low56.1Low63 Ų63124.2 Ų124.265%0.64980%0.798SS**PPolyproline II helixtrans-55.9147.3178.200000111.4P443 A447P443-G445 PolarHBondContact O-N 3.38Å; G445-A447 PolarHBondContact O-N 3.17Å
446P52Low55.8Low130 Ų130123.1 Ų123.184%0.84480%0.8SS**PPolyproline II helixtrans-57.6132.8-179.123.6-32.2000110G448P446-G448 PolarHBondContact O-N 3.34Å
447A60Low55.6Low99 Ų99122.8 Ų122.882%0.81880%0.796SS**PPolyproline II helixtrans-55.6128.5174.700000109.4G445 Q449G445-A447 PolarHBondContact O-N 3.17Å; A447-Q449 PolarHBondContact O-N 3.33Å
448G57.3Low55.4Low73 Ų73124.1 Ų124.175%0.75380%0.797SS**PPolyproline II helixtrans-55.3140.3177.500000110.8P446 A450P446-G448 PolarHBondContact O-N 3.34Å; G448-A450 PolarHBondContact O-N 3.05Å
449Q50.5Low55.4Low196 Ų196118.8 Ų118.892%0.91679%0.793SS**PPolyproline II helixtrans-53.2130.7177.4-83.3-178-13.300110.3A447 G451A447-Q449 PolarHBondContact O-N 3.33Å; Q449-G451 PolarHBondContact O-N 3.11Å
450A56.8Low55Low98 Ų98119.6 Ų119.681%0.8180%0.801SS**PPolyproline II helixtrans-56.8123.9173.400000109.2G448 L452G448-A450 PolarHBondContact O-N 3.05Å; A450-L452 PolarHBondContact O-N 2.85Å
451G53.7Low55.1Low71 Ų71117.9 Ų117.973%0.73280%0.798SS**PPolyproline II helixtrans-55.9136.9178.700000111Q449 R453Q449-G451 PolarHBondContact O-N 3.11Å; G451-R453 PolarHBondContact O-N 3.12Å; G451-R453 VanDerWaalsContact O-N 3.12Å
452L47.9Very low54.8Low178 Ų178117.8 Ų117.893%0.93280%0.8SS**PPolyproline II helixtrans-55.5119.3176.8-70.9167.8000109.4A450 G454A450-L452 PolarHBondContact O-N 2.85Å; L452-G454 PolarHBondContact O-N 3.49Å
453R55.9Low54.5Low240 Ų240118.3 Ų118.391%0.90681%0.805SS**PPolyproline II helixtrans-58.7119.4176.5-167.2178.2-168173.73.6108.2G451 H455G451-R453 PolarHBondContact O-N 3.12Å; G451-R453 VanDerWaalsContact O-N 3.12Å; R453-H455 PolarHBondContact O-N 3.45Å
454G54.4Low54.2Low67 Ų67118.5 Ų118.569%0.69181%0.807SS**PPolyproline II helixtrans-53.6138.4178.300000111.4L452 A456L452-G454 PolarHBondContact O-N 3.49Å; G454-A456 PolarHBondContact O-N 3.34Å
455H49Very low53.3Low192 Ų192117.9 Ų117.989%0.88981%0.809SS**PPolyproline II helixtrans-54.6135.2178.2-63.4-71.5000110.7R453 G457R453-H455 PolarHBondContact O-N 3.45Å; H455-G457 PolarHBondContact O-N 2.81Å
456A54.7Low52.6Low99 Ų99118 Ų11882%0.81881%0.81SS**PPolyproline II helixtrans-58.8129.8175.800000109.9G454 L458G454-A456 PolarHBondContact O-N 3.34Å; A456-L458 PolarHBondContact O-N 2.93Å
457G50.2Low52.1Low71 Ų71121.6 Ų121.673%0.73282%0.816SS**PPolyproline II helixtrans-59136.7175.900000110.9H455H455-G457 PolarHBondContact O-N 2.81Å
458L49.6Very low51.5Low170 Ų170126 Ų12689%0.8982%0.822SS**PPolyproline II helixtrans-57.5134.9177-70.7166.1000110.2A456 G460A456-L458 PolarHBondContact O-N 2.93Å; L458-G460 PolarHBondContact O-N 3.29Å
459P61.5Low50.7Low123 Ų123127.4 Ų127.480%0.79983%0.826SS**PPolyproline II helixtrans-56.6133.8175.8-2433.2000111.6
460G51.6Low50.8Low71 Ų71128.6 Ų128.673%0.73283%0.828SS**PPolyproline II helixtrans-61.5142.9176.700000112L458L458-G460 PolarHBondContact O-N 3.29Å
461A52.2Low50.3Low96 Ų96127.3 Ų127.379%0.79382%0.824SS**PPolyproline II helixtrans-57.5139.1179.900000111.5G463A461-G463 PolarHBondContact O-N 3.09Å
462P61.1Low49.7Very low131 Ų131133.1 Ų133.185%0.85184%0.835SS**PPolyproline II helixtrans-56.7128.6177-24.233.3000112
463G51.1Low49.8Very low64 Ų64130.5 Ų130.566%0.6683%0.831SS**PPolyproline II helixtrans-69.7150.1176.500000112.4A461A461-G463 PolarHBondContact O-N 3.09Å
464P47.9Very low49.8Very low135 Ų135122 Ų12288%0.87782%0.818SS**PPolyproline II helixtrans-66.6142.7-179.226.5-32000111.9G466P464-G466 PolarHBondContact O-N 2.93Å
465A42.4Very low49.8Very low108 Ų108124.9 Ų124.989%0.89383%0.825SS**PPolyproline II helixtrans-74.8119.2-174.200000113.3
466G45.7Very low50.6Low66 Ų66124.2 Ų124.268%0.6882%0.824SS**  trans82.6122.5134.100000119.6P464P464-G466 PolarHBondContact O-N 2.93Å
467Q40.7Very low50.9Low206 Ų206122 Ų12296%0.96381%0.811SS**  -168.3145.8121.7-101.7168.426.900112.1
468M47.3Very low51.1Low192 Ų192124.5 Ų124.595%0.94681%0.814SS**  trans-62137.7-166-73.3160.957.500115.9
469A41.3Very low52Low101 Ų101122.1 Ų122.184%0.83581%0.809SS**  trans-166.8134.8130.500000110.3
470K51.2Low51.9Low222 Ų222119.7 Ų119.797%0.96581%0.806SS**  trans-75.8119.3-179.1-168.2-179.3-171.7-179.20109.4
471G45.9Very low51.9Low70 Ų70120.8 Ų120.872%0.72281%0.808SS**  trans155.4115.4163.600000116.8
472M41.4Very low52.6Low194 Ų194122.1 Ų122.196%0.95681%0.809SS**  trans72.7109.7165.5-62-176.6153.800118G474M472-G474 PolarHBondContact O-N 2.89Å
473S50.8Low52.6Low122 Ų122119.3 Ų119.385%0.85380%0.803SS**  trans-58.2115.316349.10000109.5
474G55.4Low52.8Low61 Ų61121.8 Ų121.863%0.62981%0.811SS**PPolyproline II helixtrans-60149.1172.300000110.9M472 M476M472-G474 PolarHBondContact O-N 2.89Å; G474-M476 PolarHBondContact O-N 2.92Å
475P55.2Low53.6Low129 Ų129124.8 Ų124.884%0.83881%0.805SS**PPolyproline II helixtrans-56.7134.6-178.923.7-32.6000110.3G477P475-G477 PolarHBondContact O-N 2.82Å
476M65Low54.8Low178 Ų178122.5 Ų122.588%0.87779%0.791SS**PPolyproline II helixtrans-49.3122.6174-178.4168.860.800109G474G474-M476 PolarHBondContact O-N 2.92Å
477G60.6Low55.5Low53 Ų53127 Ų12755%0.54680%0.8SS.*PPolyproline II helixtrans-56.5145.5177.600000110.6P475P475-G477 PolarHBondContact O-N 2.82Å
478P55.1Low56.9Low122 Ų122122.7 Ų122.779%0.79278%0.783SS**PPolyproline II helixtrans-55.5139.5-177.822.4-31.8000110.1G480P478-G480 PolarHBondContact O-N 3.26Å
479P68.1Low57.5Low121 Ų121116.7 Ų116.779%0.78677%0.771SS**PPolyproline II helixtrans-48.8133.3174.6-26.533.6000110.4A481P479-A481 PolarHBondContact O-N 3.32Å
480G60.4Low58.4Low71 Ų71119.4 Ų119.473%0.73277%0.771SS**PPolyproline II helixtrans-53.2137.2176.900000110.5P478P478-G480 PolarHBondContact O-N 3.26Å
481A51.1Low59.3Low94 Ų94114.9 Ų114.978%0.77776%0.764SS**PPolyproline II helixtrans-50.2131.1-177.800000110.4P479 G483P479-A481 PolarHBondContact O-N 3.32Å; A481-G483 PolarHBondContact O-N 3.36Å
482P65.9Low60.2Low124 Ų124114.8 Ų114.881%0.80576%0.764SS**PPolyproline II helixtrans-51.3132.2174.5-25.633.5000110S484P482-S484 PolarHBondContact O-N 2.96Å
483G62.7Low61.2Low72 Ų72110.4 Ų110.474%0.74276%0.758SS**PPolyproline II helixtrans-53.5141.6175.800000110.4A481 R485A481-G483 PolarHBondContact O-N 3.36Å; G483-R485 PolarHBondContact O-N 2.88Å
484S54.5Low61.9Low116 Ų116113.3 Ų113.381%0.81176%0.76SS**PPolyproline II helixtrans-48.9127.317951.90000110.4P482 G486P482-S484 PolarHBondContact O-N 2.96Å; S484-G486 PolarHBondContact O-N 2.97Å; S484-G486 VanDerWaalsContact O-N 3.14Å
485R65.1Low62.1Low199 Ų199112.7 Ų112.775%0.75176%0.755SS**PPolyproline II helixtrans-51.4121.6173.9-179.2174172.5165-4.7108.1G483 D488G483-R485 PolarHBondContact O-N 2.88Å; R485-D488 IonicContact CZ-OD1 3.5Å; R485-D488 IonicContact NE-OD1 3.26Å; R485-D488 PolarHBondContact NE-OD1 2.98Å; R485-D488 IonicContact NH2-OD1 2.88Å; R485-D488 PolarHBondContact NH2-OD1 3.49Å; R485-D488 IonicContact NH2-OD2 3.55Å
486G66.5Low62.6Low59 Ų59112.3 Ų112.361%0.60875%0.752SS**PPolyproline II helixtrans-56.4143.2175.300000109.7S484 D488S484-G486 PolarHBondContact O-N 2.97Å; S484-G486 VanDerWaalsContact O-N 3.14Å; G486-D488 PolarHBondContact O-N 3.33Å
487N60.7Low62.8Low162 Ų162109.9 Ų109.987%0.86675%0.749SS**PPolyproline II helixtrans-50.1126.3179.2-64.5-20.8000109.6G489N487-G489 PolarHBondContact O-N 3.02Å
488D70.1Confident62.6Low115 Ų115110.2 Ų110.262%0.61575%0.753SS**PPolyproline II helixtrans-56.1131.1175.1-64.7-42.6000107.8R485 G486R485-D488 IonicContact CZ-OD1 3.5Å; R485-D488 IonicContact NE-OD1 3.26Å; R485-D488 PolarHBondContact NE-OD1 2.98Å; R485-D488 IonicContact NH2-OD1 2.88Å; R485-D488 PolarHBondContact NH2-OD1 3.49Å; R485-D488 IonicContact NH2-OD2 3.55Å; G486-D488 PolarHBondContact O-N 3.33Å
489G60.5Low63.2Low66 Ų66110 Ų11068%0.6875%0.752SS**PPolyproline II helixtrans-58.6144.5178.600000110.3N487N487-G489 PolarHBondContact O-N 3.02Å
490N60.9Low63.1Low158 Ų158110.4 Ų110.485%0.84575%0.754SS**PPolyproline II helixtrans-48.2131.5175.4-71.2-28.4000109.7G492N490-G492 PolarHBondContact O-N 2.79Å
491P69Low62.6Low126 Ų126109.9 Ų109.982%0.81875%0.749SS**PPolyproline II helixtrans-49.7131.6174.9-26.733.9000109.6
492G65Low63.2Low69 Ų69111.1 Ų111.171%0.71175%0.749SS**PPolyproline II helixtrans-53.7149.4174.700000110.1N490 M494N490-G492 PolarHBondContact O-N 2.79Å; G492-M494 PolarHBondContact O-N 3.09Å
493A61.7Low62.9Low102 Ų102111.2 Ų111.284%0.84375%0.75SS**PPolyproline II helixtrans-49.9132.5176.200000109.9G495A493-G495 PolarHBondContact O-N 3.31Å; A493-G495 VanDerWaalsContact O-N 3.12Å
494M65.8Low61.9Low182 Ų182111.3 Ų111.390%0.89775%0.75SS**PPolyproline II helixtrans-52.6122.3177.3-175.2166.962.500108.3G492G492-M494 PolarHBondContact O-N 3.09Å
495G60.8Low61.5Low49 Ų49114.1 Ų114.151%0.50575%0.751SS.*PPolyproline II helixtrans-56.1151177.200000110.2A493A493-G495 PolarHBondContact O-N 3.31Å; A493-G495 VanDerWaalsContact O-N 3.12Å
496P65Low60.7Low121 Ų121111.9 Ų111.979%0.78675%0.751SS**PPolyproline II helixtrans-53.9142.3173.623.7-32.4000109.4G498P496-G498 PolarHBondContact O-N 2.88Å
497P70.3Confident59.2Low126 Ų126114 Ų11482%0.81875%0.752SS**PPolyproline II helixtrans-48130.3173-26.433.7000109.6
498G55.6Low58.3Low61 Ų61114 Ų11463%0.62974%0.741SS**PPolyproline II helixtrans-54.5146.2176.100000109.8P496P496-G498 PolarHBondContact O-N 2.88Å
499P67.1Low56.7Low118 Ų118116.9 Ų116.977%0.76675%0.75SS**PPolyproline II helixtrans-53.2144.5171.524.3-32.6000109G501P499-G501 PolarHBondContact O-N 2.91Å
500P67Low55.6Low129 Ų129122 Ų12284%0.83876%0.756SS**  trans-45.9127.7173.7-27.334000109.6
501G49.9Very low54.6Low60 Ų60122.9 Ų122.962%0.61976%0.755SS**PPolyproline II helixtrans-55.3147.5177.800000109.9P499P499-G501 PolarHBondContact O-N 2.91Å
502P63.7Low53.2Low120 Ų120127.2 Ų127.278%0.77976%0.761SS**PPolyproline II helixtrans-53.4145.1170.424.5-32.3000109G504P502-G504 PolarHBondContact O-N 3.47Å
503P58.3Low52Low125 Ų125129.3 Ų129.381%0.81277%0.765SS**PPolyproline II helixtrans-46.4127.6173.2-25.532.9000109.5E505P503-E505 PolarHBondContact O-N 2.86Å
504G41.9Very low50.6Low74 Ų74132.9 Ų132.976%0.76377%0.766SS**  trans-56.2113.8-176.400000110.3P502 M506P502-G504 PolarHBondContact O-N 3.47Å; G504-M506 PolarHBondContact O-N 2.92Å
505E46.1Very low49.5Very low175 Ų175130.3 Ų130.382%0.81876%0.763SS**  trans-73.6117.6171-161.9172.8-16500107.3P503 V507P503-E505 PolarHBondContact O-N 2.86Å; E505-V507 VanDerWaalsContact C-N 3.27Å; E505-V507 PolarHBondContact O-N 3.45Å
506M49Very low48.3Very low153 Ų153136 Ų13675%0.75478%0.78SS**  trans-6988.3173.6-73171.5-83.800108.5G504 Y508G504-M506 PolarHBondContact O-N 2.92Å; M506-Y508 PolarHBondContact O-N 2.9Å
507V35.6Very low47Very low103 Ų103139.5 Ų139.562%0.62478%0.783SS**  trans-72.999172.6-177.40000107.9E505 H509E505-V507 VanDerWaalsContact C-N 3.27Å; E505-V507 PolarHBondContact O-N 3.45Å; V507-H509 PolarHBondContact O-N 3.49Å; V507-H509 VanDerWaalsContact O-N 3.14Å
508Y41.2Very low45.6Very low162 Ų162138.3 Ų138.364%0.63578%0.777SS**  trans-65.1109.2162.7-70.5-87.2000108.1M506 H510M506-Y508 PolarHBondContact O-N 2.9Å; Y508-H510 VanDerWaalsContact C-N 3.28Å; Y508-H510 PolarHBondContact O-N 3.34Å
509H35.5Very low44.7Very low175 Ų175144.2 Ų144.281%0.8179%0.788SS**  trans-63.393.8163.4-84.2-67.3000108.5V507 E511V507-H509 PolarHBondContact O-N 3.49Å; V507-H509 VanDerWaalsContact O-N 3.14Å; H509-E511 VanDerWaalsContact C-N 3.33Å; H509-E511 PolarHBondContact O-N 3.38Å
510H37.6Very low43.6Very low174 Ų174148 Ų14881%0.80680%0.796SS**  trans-67.898.1159.4-88.762.2000107.1Y508 K512Y508-H510 VanDerWaalsContact C-N 3.28Å; Y508-H510 PolarHBondContact O-N 3.34Å; H510-K512 PolarHBondContact O-N 3.1Å
511E40.4Very low42.1Very low177 Ų177148.4 Ų148.483%0.82779%0.79SS**  trans-57.1130.4166.2-79.1-166.7140.200109.6H509 S513H509-E511 VanDerWaalsContact C-N 3.33Å; H509-E511 PolarHBondContact O-N 3.38Å; E511-S513 PolarHBondContact O-N 3.37Å
512K39.8Very low41.7Very low217 Ų217154.4 Ų154.494%0.94380%0.804SS**  trans-58.4105.7169.2-77174.2175.3174.30109.2H510H510-K512 PolarHBondContact O-N 3.1Å
513S38.8Very low40.6Very low113 Ų113155.7 Ų155.779%0.7980%0.801SS**  trans-113.3138.3157.752.60000109.8E511E511-S513 PolarHBondContact O-N 3.37Å
514M33.9Very low39.9Very low177 Ų177154.9 Ų154.987%0.87280%0.796SS**  trans-60.1156.2-174.9-79.7-175-107.800113.2I516M514-I516 PolarHBondContact O-N 3.31Å
515P41.5Very low39.9Very low127 Ų127160.4 Ų160.483%0.82580%0.801SS**  trans-79.3118.2-171.131.6-31.4000111
516I35.5Very low39.9Very low168 Ų168160.6 Ų160.686%0.86280%0.802SS**  trans-107.8129158.8-59.6179.6000107.8M514 S518M514-I516 PolarHBondContact O-N 3.31Å; I516-S518 PolarHBondContact O-N 3.39Å
517K37.4Very low39.8Very low195 Ų195159.9 Ų159.985%0.84880%0.799SS**  trans-56.3122.7-168.1-69.9171173.6176.50113.6
518S42.6Very low40.7Very low101 Ų101164.1 Ų164.171%0.70681%0.814SS**  trans22.6100.3136.861.10000118.3I516I516-S518 PolarHBondContact O-N 3.39Å
519H34.8Very low41.7Very low185 Ų185164.2 Ų164.286%0.85682%0.818SS**  -140.3126.4126.7-10941.5000108.5I521H519-I521 PolarHBondContact O-N 3.47Å; H519-I521 VanDerWaalsContact O-N 3.1Å
520E43.9Very low43.4Very low199 Ų199159.2 Ų159.293%0.9381%0.807SS**  trans-54.9109.7177.7-73.4169.3131.100110.3
521I37.4Very low45.5Very low137 Ų137154 Ų15470%0.70379%0.789SS**  trans-110102.5150.3-61.1176.7000104.5H519 M523H519-I521 PolarHBondContact O-N 3.47Å; H519-I521 VanDerWaalsContact O-N 3.1Å; I521-M523 HydrophobicContact CG2-CG 4.23Å; I521-M523 PolarHBondContact O-N 2.92Å
522M40Very low47.9Very low186 Ų186150.1 Ų150.192%0.91677%0.772SS**  trans-64.288.7171.6-153163.681.800107.1
523M40.3Very low50.6Low146 Ų146140 Ų14072%0.71973%0.728SS**  trans-71127.7172.7-64.8-147.3-177.100107.9I521 H525I521-M523 HydrophobicContact CG2-CG 4.23Å; I521-M523 PolarHBondContact O-N 2.92Å; M523-H525 PolarHBondContact O-N 3.03Å
524P43.7Very low53.4Low108 Ų108135.7 Ų135.770%0.70170%0.699SS**  trans-58.8141176-17.128.6000109.8E526P524-E526 PolarHBondContact O-N 2.87Å
525H42.8Very low56.5Low191 Ų191127.5 Ų127.588%0.88466%0.659SS**SBendtrans-64.929171.4-95.1-10.6000114.1M523 M527M523-H525 PolarHBondContact O-N 3.03Å; H525-M527 PolarHBondContact O-N 2.8Å
526E46.2Very low59.2Low178 Ų178122.8 Ų122.883%0.83263%0.629SS**  trans-74.981.7153.9-84-172.3152.300106.9P524 M528P524-E526 PolarHBondContact O-N 2.87Å; E526-M528 PolarHBondContact O-N 2.81Å
527M46.4Very low62.2Low139 Ų139114.8 Ų114.869%0.68559%0.588SS**  trans-41.3124171.9-59.7178.388.700108.8H525 K529H525-M527 PolarHBondContact O-N 2.8Å; M527-K529 PolarHBondContact O-N 3.35Å
528M54.3Low65.1Low192 Ų192105.8 Ų105.895%0.94655%0.549SS*.  trans-52.191.6168-79.4177.2170.100108.3E526 A530E526-M528 PolarHBondContact O-N 2.81Å; M528-A530 PolarHBondContact O-N 3.11Å; M528-A530 VanDerWaalsContact O-N 3.13Å
529K63.4Low67.8Low163 Ų163101.2 Ų101.271%0.70952%0.517SS*.PPolyproline II helixtrans-62.9119.3174.8-167.8175.6178.6-173.90104.9M527M527-K529 PolarHBondContact O-N 3.35Å
530A71Confident70.4Confident71 Ų7193.8 Ų93.859%0.58748%0.484SS*.PPolyproline II helixtrans-50.1134.2173.600000107.6M528 M532M528-A530 PolarHBondContact O-N 3.11Å; M528-A530 VanDerWaalsContact O-N 3.13Å; A530-M532 WeakPolarHBondContact O-CG 3.42Å; A530-M532 PolarHBondContact O-N 3.11Å
531P81.1Confident72.8Confident65 Ų6588.6 Ų88.642%0.42247%0.466SS..PPolyproline II helixtrans-57.6118.1179.624.3-32.5000107.6V574 L657P531-V574 HydrophobicContact CB-CG1 3.83Å; P531-V574 HydrophobicContact CB-CG2 4.22Å; P531-V574 HydrophobicContact CG-CG1 4.34Å; P531-L657 HydrophobicContact CB-CD2 4.45Å; P531-L657 WeakPolarHBondContact O-CD2 3.49Å
532M90.3Very high75.6Confident95 Ų9583.1 Ų83.147%0.46844%0.441SS..  trans-105.1144.8176.4-64.5-152.5-61.400108.2A530 E560A530-M532 WeakPolarHBondContact O-CG 3.42Å; A530-M532 PolarHBondContact O-N 3.11Å; M532-E560 WeakPolarHBondContact CB-OE1 3.42Å; M532-E560 WeakPolarHBondContact O-CG 3.41Å
533S97.5Very high78.3Confident3 Ų379.5 Ų79.52%0.02142%0.418CS..  trans-160.4103.1176.3176.90000105.8H562 Y578 F656 L657S533-H562 WeakPolarHBondContact CB-ND1 3.19Å; S533-H562 PolarHBondContact OG-ND1 3.19Å; S533-Y578 WeakPolarHBondContact CB-OH 3.22Å; S533-Y578 WeakPolarHBondContact OG-CE1 3.41Å; S533-Y578 PolarHBondContact OG-OH 2.83Å; S533-Y578 VanDerWaalsContact OG-OH 3.13Å; S533-F656 CarbonylContact O-C 3.51Å; S533-F656 VanDerWaalsContact O-CA 3.3Å; S533-F656 WeakPolarHBondContact O-CA 3.3Å; S533-L657 PolarHBondContact O-N 3.23Å
534A98.3Very high81Confident24 Ų2473 Ų7320%0.19839%0.387CS..EExtended strand (participates in β ladder)trans-149.3153177.800000111.5Y557 E560 G655 F656A534-Y557 HydrophobicContact CB-CD1 4.11Å; A534-Y557 HydrophobicContact CB-CE1 3.74Å; A534-Y557 WeakPolarHBondContact O-CD1 3.31Å; A534-Y557 VanDerWaalsContact O-CE1 3.23Å; A534-Y557 WeakPolarHBondContact O-CE1 2.94Å; A534-E560 PolarHBondContact N-OE2 3.27Å; A534-G655 CarbonylContact C-O 3.46Å; A534-G655 VanDerWaalsContact CA-O 3.22Å; A534-G655 WeakPolarHBondContact CA-O 3.46Å; A534-F656 HydrophobicContact CB-CB 3.62Å
535F98.8Very high83.5Confident5 Ų571.9 Ų71.92%0.02238%0.381CS..EExtended strand (participates in β ladder)trans-147.915617076-77.4000110.6Y557 Y563 F570 F580 F653 S654 G655F535-Y557 CarbonylContact C-O 3.46Å; F535-Y557 WeakPolarHBondContact CA-O 3.31Å; F535-Y563 HydrophobicContact CB-CG 4.26Å; F535-Y563 HydrophobicContact CD2-CD1 4.05Å; F535-Y563 AromaticContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CE2 4.14Å; F535-Y563 AromaticContact CD2-CG 3.45Å; F535-Y563 HydrophobicContact CD2-CG 3.45Å; F535-Y563 VanDerWaalsContact CD2-CG 3.45Å; F535-Y563 AromaticContact CE2-CD2 3.44Å; F535-Y563 HydrophobicContact CE2-CD2 3.44Å; F535-Y563 VanDerWaalsContact CE2-CD2 3.44Å; F535-Y563 AromaticContact CE2-CE2 3.8Å; F535-Y563 HydrophobicContact CE2-CE2 3.8Å; F535-Y563 AromaticContact CE2-CG 3.93Å; F535-Y563 HydrophobicContact CE2-CG 3.93Å; F535-Y563 VanDerWaalsContact CG-CB 3.49Å; F535-Y563 HydrophobicContact CG-CD2 4.12Å; F535-Y563 AromaticContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CZ-CD2 4.01Å; F535-F570 HydrophobicContact CD1-CB 4.43Å; F535-F570 AromaticContact CD1-CD2 3.41Å; F535-F570 HydrophobicContact CD1-CD2 3.41Å; F535-F570 VanDerWaalsContact CD1-CD2 3.41Å; F535-F570 AromaticContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CG 4.19Å; F535-F570 HydrophobicContact CE1-CB 3.8Å; F535-F570 AromaticContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CD2 3.45Å; F535-F570 VanDerWaalsContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CE2 4.22Å; F535-F570 AromaticContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CG-CD2 4.43Å; F535-F570 HydrophobicContact CZ-CB 4.1Å; F535-F570 HydrophobicContact CZ-CD2 4.5Å; F535-F580 HydrophobicContact CE1-CD1 4.21Å; F535-F580 AromaticContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CZ-CD1 4.3Å; F535-F580 HydrophobicContact CZ-CE1 4.22Å; F535-F653 AromaticContact CE2-CD1 3.63Å; F535-F653 HydrophobicContact CE2-CD1 3.63Å; F535-F653 AromaticContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CG 4.04Å; F535-F653 HydrophobicContact CE2-CZ 4.43Å; F535-F653 AromaticContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD2 4.41Å; F535-F653 AromaticContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE2 4.19Å; F535-F653 HydrophobicContact CZ-CG 4.23Å; F535-F653 AromaticContact CZ-CZ 3.74Å; F535-F653 HydrophobicContact CZ-CZ 3.74Å; F535-S654 VanDerWaalsContact O-CA 3.3Å; F535-S654 WeakPolarHBondContact O-CA 3.23Å; F535-G655 PolarHBondContact N-O 2.81Å; F535-G655 PolarHBondContact O-N 3.38Å
536S98.8Very high86.1Confident27 Ų2763.8 Ų63.819%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-148125.4167.6-170.80000107.8I556 Y557 S654S536-I556 WeakPolarHBondContact O-CA 3.32Å; S536-I556 WeakPolarHBondContact O-CB 3.47Å; S536-I556 PolarHBondContact O-N 3.46Å; S536-Y557 PolarHBondContact N-O 3.32Å; S536-Y557 PolarHBondContact O-N 3.16Å; S536-S654 WeakPolarHBondContact CB-OG 3.47Å; S536-S654 PolarHBondContact OG-OG 2.94Å
537A98.4Very high88.4Confident0 Ų057.7 Ų57.70%033%0.333CS..EExtended strand (participates in β ladder)trans-139153.6-174.600000110.6F552 Q554 I555 Y563 S652 F653A537-F552 HydrophobicContact CB-CB 3.57Å; A537-F552 WeakPolarHBondContact CB-O 3.4Å; A537-Q554 CarbonylContact C-O 3.55Å; A537-Q554 WeakPolarHBondContact CA-O 3.29Å; A537-I555 HydrophobicContact CB-CD1 3.8Å; A537-Y563 HydrophobicContact CB-CD1 4.19Å; A537-Y563 HydrophobicContact CB-CE1 3.65Å; A537-S652 VanDerWaalsContact O-CA 3.31Å; A537-S652 WeakPolarHBondContact O-CA 3.42Å; A537-F653 PolarHBondContact N-O 3.43Å; A537-F653 PolarHBondContact O-N 2.82Å
538V98.2Very high90.9Very high6 Ų653.3 Ų53.34%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-125.1145.7-177.3-102.70000110.8F552 N553 Q554 I556 H650 C651V538-F552 CarbonylContact O-C 3.46Å; V538-N553 PolarHBondContact O-N 3.04Å; V538-Q554 HydrophobicContact CB-CB 4.41Å; V538-Q554 HydrophobicContact CG2-CB 3.9Å; V538-Q554 HydrophobicContact CG2-CG 3.91Å; V538-Q554 VanDerWaalsContact CG2-O 3.23Å; V538-Q554 WeakPolarHBondContact CG2-O 3.43Å; V538-Q554 PolarHBondContact N-O 2.98Å; V538-Q554 WeakPolarHBondContact O-CB 3.3Å; V538-Q554 PolarHBondContact O-N 3.47Å; V538-I556 HydrophobicContact CG1-CD1 4.26Å; V538-I556 HydrophobicContact CG2-CD1 3.69Å; V538-I556 HydrophobicContact CG2-CG1 3.7Å; V538-H650 HydrophobicContact CG1-CB 3.71Å; V538-C651 CarbonylContact C-O 3.44Å; V538-C651 VanDerWaalsContact CA-O 3.28Å; V538-C651 WeakPolarHBondContact CA-O 3.27Å; V538-C651 WeakPolarHBondContact CG1-O 3.35Å
539L97.5Very high93Very high6 Ų645.7 Ų45.73%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-102.5134.5171.4179.973.4000107.6V541 P544 V550 P551 F552 A645 C651L539-V541 WeakPolarHBondContact CD2-O 3.2Å; L539-V541 WeakPolarHBondContact CG-O 3.43Å; L539-P544 HydrophobicContact CD2-CB 4.36Å; L539-P544 HydrophobicContact CD2-CG 4.19Å; L539-V550 HydrophobicContact CD1-CG1 4.3Å; L539-V550 HydrophobicContact CD2-CG1 3.78Å; L539-P551 WeakPolarHBondContact CD1-O 3.39Å; L539-F552 HydrophobicContact CB-CD1 3.64Å; L539-F552 HydrophobicContact CB-CE1 3.97Å; L539-F552 HydrophobicContact CB-CG 4.35Å; L539-A645 HydrophobicContact CD2-CB 4.31Å; L539-A645 HydrophobicContact CG-CB 4.17Å; L539-A645 WeakPolarHBondContact O-CB 3.39Å; L539-C651 HydrophobicContact CB-CB 4.09Å; L539-C651 HydrophobicContact CD2-CB 4.41Å; L539-C651 PolarHBondContact N-O 3.12Å
540T90.6Very high94.6Very high28 Ų2838.1 Ų38.117%0.17225%0.248CC..  trans-115.2-6.2178.452.80000113.5A645 A646T540-A645 CarbonylContact O-C 3.53Å; T540-A646 WeakPolarHBondContact O-CA 3.43Å; T540-A646 PolarHBondContact O-N 2.88Å
541V93.9Very high95.9Very high91 Ų9137.2 Ų37.255%0.55224%0.236SC*.SBendtrans-107.3119.2179.7-177.60000108.9L539L539-V541 WeakPolarHBondContact CD2-O 3.2Å; L539-V541 WeakPolarHBondContact CG-O 3.43Å
542A96.6Very high96.7Very high21 Ų2134.1 Ų34.117%0.17422%0.216CC..SBendtrans-64157.7173.900000112F644 A645A542-F644 HydrophobicContact CB-CD2 3.74Å; A542-F644 HydrophobicContact CB-CE2 4.2Å; A542-F644 HydrophobicContact CB-CG 4.41Å; A542-A645 WeakPolarHBondContact CB-O 3.49Å; A542-A645 PolarHBondContact N-O 3.36Å; A542-A645 VanDerWaalsContact N-O 3.12Å
543Y96.9Very high96.9Very high110 Ų11033.6 Ų33.643%0.43122%0.215SC..SBendtrans57.559.3172.6-46-62.4000112.4N587 N641 V643 F644Y543-N587 WeakPolarHBondContact CE1-O 3.39Å; Y543-N587 PolarHBondContact OH-O 3.18Å; Y543-N587 VanDerWaalsContact OH-O 3.11Å; Y543-N641 VanDerWaalsContact CD1-O 3.29Å; Y543-N641 WeakPolarHBondContact CD1-O 3.42Å; Y543-V643 PolarHBondContact N-O 3.22Å; Y543-F644 HydrophobicContact CE2-CD2 4.41Å
544P96.7Very high96.9Very high11 Ų1137.9 Ų37.97%0.07124%0.235CC..PPolyproline II helixtrans-61.4153.2176.130.8-35.6000110.4L539 A546 V550 V635 N641 V643L539-P544 HydrophobicContact CD2-CB 4.36Å; L539-P544 HydrophobicContact CD2-CG 4.19Å; P544-A546 PolarHBondContact O-N 2.87Å; P544-V550 HydrophobicContact CB-CG1 3.95Å; P544-V550 HydrophobicContact CB-CG2 4.08Å; P544-V550 HydrophobicContact CG-CG1 4.08Å; P544-V550 HydrophobicContact CG-CG2 3.94Å; P544-V635 HydrophobicContact CG-CG2 4.13Å; P544-N641 PolarHBondContact O-ND2 3.43Å; P544-N641 PolarHBondContact O-OD1 3.35Å; P544-V643 HydrophobicContact CG-CB 4.34Å; P544-V643 HydrophobicContact CG-CG1 4.3Å
545S96.3Very high96.9Very high83 Ų8340 Ų4058%0.5824%0.242SC*.PPolyproline II helixtrans-56.5129-179.5-53.70000112S548S545-S548 PolarHBondContact O-OG 3.48Å
546A96.5Very high96.9Very high22 Ų2245.1 Ų45.118%0.18227%0.269CS..THydrogen-bonded Turntrans-73157.9172.900000111.4P544 S548 V635 D637 E638P544-A546 PolarHBondContact O-N 2.87Å; A546-S548 PolarHBondContact O-N 2.94Å; A546-V635 WeakPolarHBondContact CA-O 3.25Å; A546-V635 HydrophobicContact CB-CB 4.38Å; A546-V635 HydrophobicContact CB-CG1 4.14Å; A546-D637 VanDerWaalsContact CB-C 3.48Å; A546-E638 HydrophobicContact CB-CB 4.49Å; A546-E638 HydrophobicContact CB-CG 3.8Å; A546-E638 WeakPolarHBondContact CB-OE1 3.18Å; A546-E638 PolarHBondContact N-OE1 3.44Å; A546-E638 VanDerWaalsContact N-OE1 3.09Å
547G96.1Very high96.8Very high50 Ų5048.4 Ų48.452%0.51528%0.278SS..THydrogen-bonded Turntrans79-2.3178.200000115Q634 V635G547-Q634 PolarHBondContact O-NE2 2.92Å; G547-V635 PolarHBondContact N-O 3.44Å
548S97.1Very high96.8Very high46 Ų4649.8 Ų49.832%0.32229%0.285SS..SBendtrans-132.5156.6177.956.60000112.4S545 A546 V550 Q634S545-S548 PolarHBondContact O-OG 3.48Å; A546-S548 PolarHBondContact O-N 2.94Å; S548-V550 PolarHBondContact O-N 3.44Å; S548-Q634 WeakPolarHBondContact O-CG 3.24Å
549P98.4Very high96.7Very high33 Ų3351.9 Ų51.921%0.21431%0.308CS..BIsolated β-bridgetrans-54137.6172.1-25.234000112.2P551 T567 I569 Y632 I633P549-P551 WeakPolarHBondContact O-CD 3.48Å; P549-T567 VanDerWaalsContact CB-O 3.31Å; P549-T567 WeakPolarHBondContact CB-O 3.47Å; P549-I569 HydrophobicContact CB-CG1 4.15Å; P549-I569 HydrophobicContact CG-CD1 4.19Å; P549-I569 HydrophobicContact CG-CG1 4.15Å; P549-Y632 HydrophobicContact CB-CD2 3.7Å; P549-Y632 HydrophobicContact CB-CE2 4.31Å; P549-Y632 HydrophobicContact CB-CG 4.01Å; P549-Y632 HydrophobicContact CG-CD2 3.66Å; P549-Y632 HydrophobicContact CG-CE2 3.78Å; P549-Y632 HydrophobicContact CG-CG 4.04Å; P549-I633 CarbonylContact C-O 3.49Å; P549-I633 WeakPolarHBondContact CA-O 3.48Å
550V98.3Very high96.6Very high4 Ų453.8 Ų53.82%0.02432%0.317CS..  trans-79.2119.7179177.20000109.5L539 P544 S548 F552 G568 I633 V635L539-V550 HydrophobicContact CD1-CG1 4.3Å; L539-V550 HydrophobicContact CD2-CG1 3.78Å; P544-V550 HydrophobicContact CB-CG1 3.95Å; P544-V550 HydrophobicContact CB-CG2 4.08Å; P544-V550 HydrophobicContact CG-CG1 4.08Å; P544-V550 HydrophobicContact CG-CG2 3.94Å; S548-V550 PolarHBondContact O-N 3.44Å; V550-F552 HydrophobicContact CB-CD2 4.43Å; V550-F552 HydrophobicContact CB-CE2 3.74Å; V550-F552 HydrophobicContact CB-CZ 4.16Å; V550-F552 HydrophobicContact CG1-CD2 4.15Å; V550-F552 HydrophobicContact CG1-CE1 4.38Å; V550-F552 HydrophobicContact CG1-CE2 3.62Å; V550-F552 HydrophobicContact CG1-CZ 3.72Å; V550-F552 WeakPolarHBondContact O-CD2 3.31Å; V550-F552 WeakPolarHBondContact O-CE2 3.26Å; V550-F552 PolarHBondContact O-N 3.05Å; V550-G568 WeakPolarHBondContact O-CA 3.45Å; V550-I633 PolarHBondContact N-O 3.4Å; V550-V635 HydrophobicContact CG2-CG2 4.34Å
551P97.5Very high96.9Very high52 Ų5260.2 Ų60.234%0.33835%0.345SS..  trans-83.994.2-179.132.6-33000111.1L539 P549 N553L539-P551 WeakPolarHBondContact CD1-O 3.39Å; P549-P551 WeakPolarHBondContact O-CD 3.48Å; P551-N553 VanDerWaalsContact C-N 3.3Å; P551-N553 PolarHBondContact O-N 3.01Å
552F98.1Very high97.1Very high0 Ų057.2 Ų57.20%033%0.325CS..  trans-73.288170.4-56.5-100.7000108.5A537 V538 L539 V550 Y563 M584 I633 C651 F653A537-F552 HydrophobicContact CB-CB 3.57Å; A537-F552 WeakPolarHBondContact CB-O 3.4Å; V538-F552 CarbonylContact O-C 3.46Å; L539-F552 HydrophobicContact CB-CD1 3.64Å; L539-F552 HydrophobicContact CB-CE1 3.97Å; L539-F552 HydrophobicContact CB-CG 4.35Å; V550-F552 HydrophobicContact CB-CD2 4.43Å; V550-F552 HydrophobicContact CB-CE2 3.74Å; V550-F552 HydrophobicContact CB-CZ 4.16Å; V550-F552 HydrophobicContact CG1-CD2 4.15Å; V550-F552 HydrophobicContact CG1-CE1 4.38Å; V550-F552 HydrophobicContact CG1-CE2 3.62Å; V550-F552 HydrophobicContact CG1-CZ 3.72Å; V550-F552 WeakPolarHBondContact O-CD2 3.31Å; V550-F552 WeakPolarHBondContact O-CE2 3.26Å; V550-F552 PolarHBondContact O-N 3.05Å; F552-Y563 VanDerWaalsContact CB-OH 3.27Å; F552-Y563 WeakPolarHBondContact CB-OH 3.31Å; F552-Y563 PolarHBondContact N-OH 2.9Å; F552-Y563 VanDerWaalsContact N-OH 3.11Å; F552-Y563 WeakPolarHBondContact O-CE1 3.44Å; F552-Y563 PolarHBondContact O-OH 2.75Å; F552-M584 HydrophobicContact CE1-CE 3.85Å; F552-M584 HydrophobicContact CE1-SD 4.07Å; F552-M584 HydrophobicContact CZ-CE 3.42Å; F552-M584 VanDerWaalsContact CZ-CE 3.42Å; F552-M584 HydrophobicContact CZ-SD 4.14Å; F552-I633 HydrophobicContact CE2-CB 4.07Å; F552-I633 HydrophobicContact CE2-CG1 4.35Å; F552-I633 HydrophobicContact CZ-CB 4.34Å; F552-C651 HydrophobicContact CE1-CB 4.38Å; F552-F653 HydrophobicContact CD1-CB 4.01Å; F552-F653 HydrophobicContact CD2-CB 3.78Å; F552-F653 HydrophobicContact CD2-CD1 4.15Å; F552-F653 HydrophobicContact CD2-CG 4.44Å; F552-F653 HydrophobicContact CE1-CB 3.93Å; F552-F653 HydrophobicContact CE2-CB 3.69Å; F552-F653 HydrophobicContact CE2-CD1 4.16Å; F552-F653 HydrophobicContact CE2-CG 4.26Å; F552-F653 HydrophobicContact CG-CB 3.97Å; F552-F653 HydrophobicContact CZ-CB 3.8Å
553N95.4Very high97.2Very high84 Ų8456.4 Ų56.445%0.44932%0.317SS..  trans-83.2-18.7-166.161.3-9.7000114.3V538 P551V538-N553 PolarHBondContact O-N 3.04Å; P551-N553 VanDerWaalsContact C-N 3.3Å; P551-N553 PolarHBondContact O-N 3.01Å
554Q96.7Very high97.3Very high92 Ų9254 Ų5443%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-91.6110178.2-176.5179.7-8.200110.1A537 V538A537-Q554 CarbonylContact C-O 3.55Å; A537-Q554 WeakPolarHBondContact CA-O 3.29Å; V538-Q554 HydrophobicContact CB-CB 4.41Å; V538-Q554 HydrophobicContact CG2-CB 3.9Å; V538-Q554 HydrophobicContact CG2-CG 3.91Å; V538-Q554 VanDerWaalsContact CG2-O 3.23Å; V538-Q554 WeakPolarHBondContact CG2-O 3.43Å; V538-Q554 PolarHBondContact N-O 2.98Å; V538-Q554 WeakPolarHBondContact O-CB 3.3Å; V538-Q554 PolarHBondContact O-N 3.47Å
555I98.2Very high97.3Very high69 Ų6955.2 Ų55.235%0.35432%0.32SS..EExtended strand (participates in β ladder)trans-86.6125.1-174.5-58.5-61.8000111.5A537 N558 Y563 P565A537-I555 HydrophobicContact CB-CD1 3.8Å; I555-N558 HydrophobicContact CG2-CB 3.57Å; I555-Y563 HydrophobicContact CD1-CD1 3.8Å; I555-Y563 HydrophobicContact CD1-CE1 3.91Å; I555-P565 HydrophobicContact CD1-CB 3.94Å; I555-P565 HydrophobicContact CD1-CG 3.6Å; I555-P565 HydrophobicContact CG1-CB 4.25Å; I555-P565 HydrophobicContact CG1-CG 3.8Å
556I97.9Very high97.4Very high113 Ų11359.6 Ų59.658%0.57933%0.331SS*.EExtended strand (participates in β ladder)trans-91-48.3169-60.4171.7000109.1S536 V538S536-I556 WeakPolarHBondContact O-CA 3.32Å; S536-I556 WeakPolarHBondContact O-CB 3.47Å; S536-I556 PolarHBondContact O-N 3.46Å; V538-I556 HydrophobicContact CG1-CD1 4.26Å; V538-I556 HydrophobicContact CG2-CD1 3.69Å; V538-I556 HydrophobicContact CG2-CG1 3.7Å
557Y98.3Very high97.4Very high95 Ų9561.5 Ų61.537%0.37334%0.341SS..EExtended strand (participates in β ladder)trans-145.1135.5176-177.7-89.9000109.9A534 F535 S536 E560A534-Y557 HydrophobicContact CB-CD1 4.11Å; A534-Y557 HydrophobicContact CB-CE1 3.74Å; A534-Y557 WeakPolarHBondContact O-CD1 3.31Å; A534-Y557 VanDerWaalsContact O-CE1 3.23Å; A534-Y557 WeakPolarHBondContact O-CE1 2.94Å; F535-Y557 CarbonylContact C-O 3.46Å; F535-Y557 WeakPolarHBondContact CA-O 3.31Å; S536-Y557 PolarHBondContact N-O 3.32Å; S536-Y557 PolarHBondContact O-N 3.16Å; Y557-E560 PolarHBondContact OH-OE1 3.18Å; Y557-E560 PolarHBondContact OH-OE2 3.42Å
558N97.8Very high97.5Very high29 Ų2959.1 Ų59.116%0.15532%0.316CS..  trans-161.552172.4-168.820.4000109.4I555 E560 Q561 H562 Y563I555-N558 HydrophobicContact CG2-CB 3.57Å; N558-E560 PolarHBondContact O-N 3.11Å; N558-Q561 PolarHBondContact O-N 3.08Å; N558-Q561 VanDerWaalsContact O-N 3.11Å; N558-Q561 WeakPolarHBondContact OD1-CA 3.34Å; N558-Q561 PolarHBondContact OD1-N 2.89Å; N558-H562 PolarHBondContact OD1-N 3.44Å; N558-Y563 PolarHBondContact ND2-O 3.13Å; N558-Y563 PolarHBondContact OD1-N 3.39Å
559G95.6Very high97.6Very high51 Ų5158.2 Ų58.253%0.52631%0.307SS..THydrogen-bonded Turntrans-58-36.5-168.500000113.4
560E95.8Very high97.6Very high46 Ų4656.6 Ų56.622%0.21530%0.297CS..THydrogen-bonded Turntrans-95.7-1.9-178.2-61.176-157.100113.6M532 A534 Y557 N558 H562M532-E560 WeakPolarHBondContact CB-OE1 3.42Å; M532-E560 WeakPolarHBondContact O-CG 3.41Å; A534-E560 PolarHBondContact N-OE2 3.27Å; Y557-E560 PolarHBondContact OH-OE1 3.18Å; Y557-E560 PolarHBondContact OH-OE2 3.42Å; N558-E560 PolarHBondContact O-N 3.11Å; E560-H562 PolarHBondContact O-CD2 3.44Å; E560-H562 PolarHBondContact O-N 3.23Å
561Q97.3Very high97.6Very high163 Ų16357.9 Ų57.976%0.76231%0.306SS*.  trans57.430.2178.8-53.5178.41800113.7N558 Y563N558-Q561 PolarHBondContact O-N 3.08Å; N558-Q561 VanDerWaalsContact O-N 3.11Å; N558-Q561 WeakPolarHBondContact OD1-CA 3.34Å; N558-Q561 PolarHBondContact OD1-N 2.89Å; Q561-Y563 VanDerWaalsContact C-N 3.33Å
562H98.2Very high97.7Very high28 Ų2855.4 Ų55.413%0.1329%0.29CS..  trans-81.1-16.5176.4-62.9168.3000112.6S533 N558 E560 F570 S571 Q573S533-H562 WeakPolarHBondContact CB-ND1 3.19Å; S533-H562 PolarHBondContact OG-ND1 3.19Å; N558-H562 PolarHBondContact OD1-N 3.44Å; E560-H562 PolarHBondContact O-CD2 3.44Å; E560-H562 PolarHBondContact O-N 3.23Å; H562-F570 HydrophobicContact CB-CD2 4.05Å; H562-F570 HydrophobicContact CB-CE2 3.6Å; H562-F570 HydrophobicContact CB-CZ 4.36Å; H562-F570 CarbonylContact O-C 3.6Å; H562-F570 WeakPolarHBondContact O-CA 3.34Å; H562-S571 PolarHBondContact O-N 3.44Å; H562-Q573 WeakPolarHBondContact CD2-CG 3.3Å; H562-Q573 WeakPolarHBondContact NE2-CB 3.38Å; H562-Q573 VanDerWaalsContact NE2-CG 3.35Å; H562-Q573 WeakPolarHBondContact NE2-CG 3.49Å
563Y98.8Very high97.6Very high3 Ų360.1 Ų60.11%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-98130.1169.5179-101.6000110.3F535 A537 F552 I555 N558 Q561 P565 G568 F570 F653F535-Y563 HydrophobicContact CB-CG 4.26Å; F535-Y563 HydrophobicContact CD2-CD1 4.05Å; F535-Y563 AromaticContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CE2 4.14Å; F535-Y563 AromaticContact CD2-CG 3.45Å; F535-Y563 HydrophobicContact CD2-CG 3.45Å; F535-Y563 VanDerWaalsContact CD2-CG 3.45Å; F535-Y563 AromaticContact CE2-CD2 3.44Å; F535-Y563 HydrophobicContact CE2-CD2 3.44Å; F535-Y563 VanDerWaalsContact CE2-CD2 3.44Å; F535-Y563 AromaticContact CE2-CE2 3.8Å; F535-Y563 HydrophobicContact CE2-CE2 3.8Å; F535-Y563 AromaticContact CE2-CG 3.93Å; F535-Y563 HydrophobicContact CE2-CG 3.93Å; F535-Y563 VanDerWaalsContact CG-CB 3.49Å; F535-Y563 HydrophobicContact CG-CD2 4.12Å; F535-Y563 AromaticContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CZ-CD2 4.01Å; A537-Y563 HydrophobicContact CB-CD1 4.19Å; A537-Y563 HydrophobicContact CB-CE1 3.65Å; F552-Y563 VanDerWaalsContact CB-OH 3.27Å; F552-Y563 WeakPolarHBondContact CB-OH 3.31Å; F552-Y563 PolarHBondContact N-OH 2.9Å; F552-Y563 VanDerWaalsContact N-OH 3.11Å; F552-Y563 WeakPolarHBondContact O-CE1 3.44Å; F552-Y563 PolarHBondContact O-OH 2.75Å; I555-Y563 HydrophobicContact CD1-CD1 3.8Å; I555-Y563 HydrophobicContact CD1-CE1 3.91Å; N558-Y563 PolarHBondContact ND2-O 3.13Å; N558-Y563 PolarHBondContact OD1-N 3.39Å; Q561-Y563 VanDerWaalsContact C-N 3.33Å; Y563-P565 HydrophobicContact CD1-CG 4.45Å; Y563-P565 HydrophobicContact CE1-CB 4.33Å; Y563-P565 WeakPolarHBondContact O-CD 3.1Å; Y563-G568 WeakPolarHBondContact CE2-O 3.28Å; Y563-G568 WeakPolarHBondContact OH-CA 3.38Å; Y563-F570 HydrophobicContact CD2-CB 4.26Å; Y563-F653 HydrophobicContact CE2-CD1 4.2Å; Y563-F653 HydrophobicContact CE2-CE1 4.42Å
564D98.4Very high97.7Very high59 Ų5957.5 Ų57.532%0.31630%0.299SS..EExtended strand (participates in β ladder)trans-98111.1174.3176.15.9000110.3Q566 T567 G568 I569D564-Q566 PolarHBondContact O-N 3.42Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.31Å; D564-Q566 PolarHBondContact OD1-N 3.36Å; D564-T567 VanDerWaalsContact CB-OG1 3.3Å; D564-T567 WeakPolarHBondContact CB-OG1 3.4Å; D564-T567 PolarHBondContact O-N 2.9Å; D564-T567 WeakPolarHBondContact OD2-CB 3.36Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.41Å; D564-T567 PolarHBondContact OD2-OG1 3.34Å; D564-G568 WeakPolarHBondContact O-CA 3.3Å; D564-G568 PolarHBondContact O-N 3.27Å; D564-I569 PolarHBondContact N-O 2.92Å; D564-I569 PolarHBondContact O-N 2.92Å
565P97.6Very high97.7Very high38 Ų3855.3 Ų55.325%0.24729%0.293CS..THydrogen-bonded Turntrans-68.4-20.2-178.4-1226.2000113.8I555 Y563I555-P565 HydrophobicContact CD1-CB 3.94Å; I555-P565 HydrophobicContact CD1-CG 3.6Å; I555-P565 HydrophobicContact CG1-CB 4.25Å; I555-P565 HydrophobicContact CG1-CG 3.8Å; Y563-P565 HydrophobicContact CD1-CG 4.45Å; Y563-P565 HydrophobicContact CE1-CB 4.33Å; Y563-P565 WeakPolarHBondContact O-CD 3.1Å
566Q96.8Very high97.7Very high175 Ų17552 Ų5282%0.81828%0.276SS*.THydrogen-bonded Turntrans-79-39.6179.9-63.3-167.8-13.400111.4D564D564-Q566 PolarHBondContact O-N 3.42Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.31Å; D564-Q566 PolarHBondContact OD1-N 3.36Å
567T97.6Very high97.7Very high62 Ų6249.3 Ų49.338%0.3826%0.262SS..THydrogen-bonded Turntrans-95-20-179.258.60000113P549 D564 I569P549-T567 VanDerWaalsContact CB-O 3.31Å; P549-T567 WeakPolarHBondContact CB-O 3.47Å; D564-T567 VanDerWaalsContact CB-OG1 3.3Å; D564-T567 WeakPolarHBondContact CB-OG1 3.4Å; D564-T567 PolarHBondContact O-N 2.9Å; D564-T567 WeakPolarHBondContact OD2-CB 3.36Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.41Å; D564-T567 PolarHBondContact OD2-OG1 3.34Å; T567-I569 VanDerWaalsContact C-N 3.31Å
568G98.1Very high97.7Very high0 Ų044.8 Ų44.80%025%0.245CC..THydrogen-bonded Turntrans79.612.1-175.400000114.3V550 Y563 D564 Y632V550-G568 WeakPolarHBondContact O-CA 3.45Å; Y563-G568 WeakPolarHBondContact CE2-O 3.28Å; Y563-G568 WeakPolarHBondContact OH-CA 3.38Å; D564-G568 WeakPolarHBondContact O-CA 3.3Å; D564-G568 PolarHBondContact O-N 3.27Å; G568-Y632 WeakPolarHBondContact O-CB 3.22Å
569I98.8Very high97.7Very high26 Ų2646.9 Ų46.913%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-107.9128.9-169.5-59.1173.4000110.8P549 D564 T567 Q630 Y632P549-I569 HydrophobicContact CB-CG1 4.15Å; P549-I569 HydrophobicContact CG-CD1 4.19Å; P549-I569 HydrophobicContact CG-CG1 4.15Å; D564-I569 PolarHBondContact N-O 2.92Å; D564-I569 PolarHBondContact O-N 2.92Å; T567-I569 VanDerWaalsContact C-N 3.31Å; I569-Q630 HydrophobicContact CG2-CB 3.83Å; I569-Q630 HydrophobicContact CG2-CG 3.97Å; I569-Y632 HydrophobicContact CG1-CD1 4.16Å; I569-Y632 HydrophobicContact CG1-CG 4.32Å; I569-Y632 HydrophobicContact CG2-CD1 4.47Å
570F98.8Very high97.9Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-85127.7163.3173.1-93.7000109.9F535 H562 Y563 C572 Y578 F580 L625 Q630 V631F535-F570 HydrophobicContact CD1-CB 4.43Å; F535-F570 AromaticContact CD1-CD2 3.41Å; F535-F570 HydrophobicContact CD1-CD2 3.41Å; F535-F570 VanDerWaalsContact CD1-CD2 3.41Å; F535-F570 AromaticContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CG 4.19Å; F535-F570 HydrophobicContact CE1-CB 3.8Å; F535-F570 AromaticContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CD2 3.45Å; F535-F570 VanDerWaalsContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CE2 4.22Å; F535-F570 AromaticContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CG-CD2 4.43Å; F535-F570 HydrophobicContact CZ-CB 4.1Å; F535-F570 HydrophobicContact CZ-CD2 4.5Å; H562-F570 HydrophobicContact CB-CD2 4.05Å; H562-F570 HydrophobicContact CB-CE2 3.6Å; H562-F570 HydrophobicContact CB-CZ 4.36Å; H562-F570 CarbonylContact O-C 3.6Å; H562-F570 WeakPolarHBondContact O-CA 3.34Å; Y563-F570 HydrophobicContact CD2-CB 4.26Å; F570-C572 HydrophobicContact CE1-CB 4.1Å; F570-Y578 HydrophobicContact CE1-CD1 4.32Å; F570-Y578 HydrophobicContact CE1-CE1 4.1Å; F570-Y578 HydrophobicContact CE2-CE1 4.45Å; F570-Y578 HydrophobicContact CZ-CD1 4.03Å; F570-Y578 AromaticContact CZ-CE1 3.51Å; F570-Y578 HydrophobicContact CZ-CE1 3.51Å; F570-F580 HydrophobicContact CB-CE1 4.39Å; F570-F580 AromaticContact CD1-CE1 3.89Å; F570-F580 HydrophobicContact CD1-CE1 3.89Å; F570-F580 AromaticContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CE1-CE1 4.38Å; F570-F580 AromaticContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CG-CE1 4.09Å; F570-F580 HydrophobicContact CG-CZ 4.35Å; F570-L625 HydrophobicContact CD1-CD1 4.35Å; F570-L625 HydrophobicContact CE1-CD1 3.78Å; F570-Q630 CarbonylContact O-C 3.53Å; F570-Q630 VanDerWaalsContact O-CA 3.26Å; F570-Q630 WeakPolarHBondContact O-CA 3.39Å; F570-V631 HydrophobicContact CB-CB 4.48Å; F570-V631 WeakPolarHBondContact CB-O 3.42Å; F570-V631 HydrophobicContact CD1-CB 4.27Å; F570-V631 HydrophobicContact CD1-CG2 4.44Å; F570-V631 PolarHBondContact N-O 3.44Å; F570-V631 PolarHBondContact O-N 3.17Å
571S98.6Very high98Very high31 Ų3143 Ų4322%0.21722%0.221CC..EExtended strand (participates in β ladder)trans-113.5117.1175.6-64.30000110.5H562 Q573H562-S571 PolarHBondContact O-N 3.44Å; S571-Q573 PolarHBondContact O-N 3.35Å
572C98.3Very high98.1Very high0 Ų035.2 Ų35.20%018%0.184CC..  trans-66.2119.2-178.5-175.60000111.5F570 V574 L625 N626 H628 D629F570-C572 HydrophobicContact CE1-CB 4.1Å; C572-V574 PolarHBondContact SG-O 3.26Å; C572-L625 HydrophobicContact CB-CB 4.13Å; C572-L625 HydrophobicContact CB-CD1 4.09Å; C572-N626 VanDerWaalsContact CB-O 3.29Å; C572-N626 WeakPolarHBondContact CB-O 3.41Å; C572-N626 PolarHBondContact SG-O 3.36Å; C572-H628 WeakPolarHBondContact O-CA 3.43Å; C572-H628 PolarHBondContact O-N 3.3Å; C572-D629 HydrophobicContact CB-CB 4.27Å; C572-D629 VanDerWaalsContact CB-O 3.3Å; C572-D629 WeakPolarHBondContact CB-O 3.08Å; C572-D629 PolarHBondContact N-O 3.47Å
573Q97.1Very high98.1Very high99 Ų9937.6 Ų37.646%0.46320%0.195SC..SBendtrans-102.4-24.9171.4-57.1-59.4-29.400112.7H562 S571H562-Q573 WeakPolarHBondContact CD2-CG 3.3Å; H562-Q573 WeakPolarHBondContact NE2-CB 3.38Å; H562-Q573 VanDerWaalsContact NE2-CG 3.35Å; H562-Q573 WeakPolarHBondContact NE2-CG 3.49Å; S571-Q573 PolarHBondContact O-N 3.35Å
574V96.8Very high98.1Very high29 Ų2937.6 Ų37.618%0.17620%0.195CC..SBendtrans-115.2108.6179.7-177.70000108.5P531 C572 G576 Y578 L657P531-V574 HydrophobicContact CB-CG1 3.83Å; P531-V574 HydrophobicContact CB-CG2 4.22Å; P531-V574 HydrophobicContact CG-CG1 4.34Å; C572-V574 PolarHBondContact SG-O 3.26Å; V574-G576 PolarHBondContact O-N 3.12Å; V574-Y578 WeakPolarHBondContact O-CE2 3.39Å; V574-Y578 PolarHBondContact O-OH 2.93Å; V574-L657 HydrophobicContact CB-CD2 4.23Å; V574-L657 HydrophobicContact CG1-CD2 3.73Å
575P97.4Very high98.1Very high46 Ų4636.9 Ų36.930%0.29919%0.19SC..  trans-56.4138.4174.7-23.633000111.8L625 A627 S660 T661P575-L625 WeakPolarHBondContact CA-O 3.26Å; P575-A627 HydrophobicContact CG-CB 4.01Å; P575-S660 WeakPolarHBondContact O-CA 3.45Å; P575-T661 PolarHBondContact O-N 3.16Å; P575-T661 VanDerWaalsContact O-N 3.1Å; P575-T661 PolarHBondContact O-OG1 2.87Å
576G97.2Very high98.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans160.5-168.8178.700000114.7V574 Y578 M624 L625 A659V574-G576 PolarHBondContact O-N 3.12Å; G576-Y578 WeakPolarHBondContact O-CD2 3.35Å; G576-M624 VanDerWaalsContact C-SD 3.51Å; G576-L625 PolarHBondContact N-O 3.09Å; G576-L625 PolarHBondContact O-N 2.94Å; G576-A659 CarbonylContact C-O 3.52Å; G576-A659 VanDerWaalsContact CA-O 3.24Å; G576-A659 WeakPolarHBondContact CA-O 3.43Å
577L98.1Very high98.1Very high56 Ų5628.7 Ų28.729%0.29315%0.15SC..EExtended strand (participates in β ladder)trans-89.8120.7178.1-163.672.7000109.6V622 M624 I658 A659L577-V622 HydrophobicContact CD1-CG1 3.48Å; L577-V622 VanDerWaalsContact CD1-CG1 3.48Å; L577-V622 HydrophobicContact CD2-CG1 3.83Å; L577-V622 HydrophobicContact CG-CG1 3.46Å; L577-V622 VanDerWaalsContact CG-CG1 3.46Å; L577-M624 HydrophobicContact CB-CE 4.44Å; L577-M624 HydrophobicContact CD1-CE 3.97Å; L577-I658 HydrophobicContact CD2-CD1 4.27Å; L577-I658 HydrophobicContact CG-CD1 4.28Å; L577-I658 WeakPolarHBondContact O-CA 3.22Å; L577-I658 WeakPolarHBondContact O-CB 3.39Å; L577-I658 PolarHBondContact O-N 3.44Å; L577-A659 PolarHBondContact N-O 3.41Å; L577-A659 PolarHBondContact O-N 3.28Å
578Y98.6Very high98Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-114.8144.2-178.7-77.1-99.6000111.5S533 F570 V574 G576 F580 V622 L623 L625 F656 L657S533-Y578 WeakPolarHBondContact CB-OH 3.22Å; S533-Y578 WeakPolarHBondContact OG-CE1 3.41Å; S533-Y578 PolarHBondContact OG-OH 2.83Å; S533-Y578 VanDerWaalsContact OG-OH 3.13Å; F570-Y578 HydrophobicContact CE1-CD1 4.32Å; F570-Y578 HydrophobicContact CE1-CE1 4.1Å; F570-Y578 HydrophobicContact CE2-CE1 4.45Å; F570-Y578 HydrophobicContact CZ-CD1 4.03Å; F570-Y578 AromaticContact CZ-CE1 3.51Å; F570-Y578 HydrophobicContact CZ-CE1 3.51Å; V574-Y578 WeakPolarHBondContact O-CE2 3.39Å; V574-Y578 PolarHBondContact O-OH 2.93Å; G576-Y578 WeakPolarHBondContact O-CD2 3.35Å; Y578-F580 VanDerWaalsContact CB-CE2 3.45Å; Y578-F580 HydrophobicContact CD1-CZ 4.39Å; Y578-F580 HydrophobicContact CG-CE2 4.22Å; Y578-F580 HydrophobicContact CG-CZ 4.44Å; Y578-V622 CarbonylContact O-C 3Å; Y578-V622 VanDerWaalsContact O-CA 3.22Å; Y578-V622 WeakPolarHBondContact O-CA 3.21Å; Y578-L623 PolarHBondContact N-O 3.36Å; Y578-L623 PolarHBondContact O-N 3.24Å; Y578-L625 HydrophobicContact CD1-CD1 4.45Å; Y578-L625 HydrophobicContact CD2-CB 3.86Å; Y578-L625 HydrophobicContact CD2-CD1 3.65Å; Y578-L625 HydrophobicContact CD2-CG 3.78Å; Y578-L625 HydrophobicContact CE2-CB 4.07Å; Y578-L625 HydrophobicContact CE2-CD1 4.11Å; Y578-L625 HydrophobicContact CE2-CG 4.39Å; Y578-L625 HydrophobicContact CG-CD1 3.83Å; Y578-L625 HydrophobicContact CG-CG 4.28Å; Y578-F656 CarbonylContact C-O 3.38Å; Y578-F656 VanDerWaalsContact CA-O 3.31Å; Y578-F656 WeakPolarHBondContact CA-O 3.3Å; Y578-F656 VanDerWaalsContact CD1-C 3.49Å; Y578-L657 HydrophobicContact CD1-CB 4.16Å; Y578-L657 HydrophobicContact CD2-CD1 4.03Å; Y578-L657 HydrophobicContact CE1-CB 3.69Å; Y578-L657 HydrophobicContact CE1-CD1 4.25Å; Y578-L657 HydrophobicContact CE2-CD1 3.57Å
579Y98.8Very high97.9Very high73 Ų7329.5 Ų29.529%0.28617%0.167SC..EExtended strand (participates in β ladder)trans-99.8134.2164.5-179.4-102.6000109.3S620 V622 G655 F656Y579-S620 WeakPolarHBondContact OH-CB 3.4Å; Y579-S620 PolarHBondContact OH-OG 3.49Å; Y579-S620 VanDerWaalsContact OH-OG 3.11Å; Y579-V622 HydrophobicContact CD2-CG2 3.97Å; Y579-G655 CarbonylContact O-C 3.56Å; Y579-G655 WeakPolarHBondContact O-CA 3.45Å; Y579-F656 HydrophobicContact CD1-CD1 4.12Å; Y579-F656 AromaticContact CD1-CE1 3.35Å; Y579-F656 HydrophobicContact CD1-CE1 3.35Å; Y579-F656 AromaticContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CE1-CE1 4.19Å; Y579-F656 HydrophobicContact CG-CE1 4.02Å; Y579-F656 HydrophobicContact CG-CZ 4.03Å; Y579-F656 PolarHBondContact N-O 3.45Å; Y579-F656 PolarHBondContact O-N 3.42Å
580F98.9Very high97.8Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-122.6142.4171.2-68.7-88.5000109.8F535 F570 Y578 L595 S620 T621 L623 L625 V631 F653 S654F535-F580 HydrophobicContact CE1-CD1 4.21Å; F535-F580 AromaticContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CZ-CD1 4.3Å; F535-F580 HydrophobicContact CZ-CE1 4.22Å; F570-F580 HydrophobicContact CB-CE1 4.39Å; F570-F580 AromaticContact CD1-CE1 3.89Å; F570-F580 HydrophobicContact CD1-CE1 3.89Å; F570-F580 AromaticContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CE1-CE1 4.38Å; F570-F580 AromaticContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CG-CE1 4.09Å; F570-F580 HydrophobicContact CG-CZ 4.35Å; Y578-F580 VanDerWaalsContact CB-CE2 3.45Å; Y578-F580 HydrophobicContact CD1-CZ 4.39Å; Y578-F580 HydrophobicContact CG-CE2 4.22Å; Y578-F580 HydrophobicContact CG-CZ 4.44Å; F580-L595 HydrophobicContact CB-CD2 4.33Å; F580-S620 CarbonylContact O-C 3.52Å; F580-S620 WeakPolarHBondContact O-CA 3.5Å; F580-S620 VanDerWaalsContact O-CB 3.27Å; F580-S620 WeakPolarHBondContact O-CB 3.33Å; F580-T621 PolarHBondContact N-O 3.37Å; F580-T621 PolarHBondContact O-N 2.95Å; F580-L623 HydrophobicContact CD2-CD1 3.76Å; F580-L623 HydrophobicContact CD2-CG 4.25Å; F580-L623 HydrophobicContact CE2-CB 4.44Å; F580-L623 HydrophobicContact CE2-CD1 3.95Å; F580-L625 HydrophobicContact CE2-CD1 3.84Å; F580-L625 HydrophobicContact CZ-CD1 3.8Å; F580-V631 HydrophobicContact CD1-CG1 3.95Å; F580-V631 HydrophobicContact CD2-CG1 4.33Å; F580-V631 HydrophobicContact CE1-CB 3.93Å; F580-V631 HydrophobicContact CE1-CG1 3.74Å; F580-V631 HydrophobicContact CE1-CG2 4.41Å; F580-V631 HydrophobicContact CE2-CB 4.43Å; F580-V631 HydrophobicContact CE2-CG1 4.16Å; F580-V631 HydrophobicContact CE2-CG2 4.09Å; F580-V631 HydrophobicContact CG-CG1 4.24Å; F580-V631 HydrophobicContact CZ-CB 3.84Å; F580-V631 HydrophobicContact CZ-CG1 3.87Å; F580-V631 HydrophobicContact CZ-CG2 3.8Å; F580-F653 HydrophobicContact CB-CE2 4.3Å; F580-F653 AromaticContact CD1-CE2 3.86Å; F580-F653 HydrophobicContact CD1-CE2 3.86Å; F580-F653 AromaticContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CE1-CZ 4.34Å; F580-S654 WeakPolarHBondContact CA-O 3.12Å
581S98.8Very high97.8Very high15 Ų1530.9 Ų30.911%0.10518%0.175CC..EExtended strand (participates in β ladder)trans-145.6145.5173.9-179.20000111G619 F653 S654S581-G619 VanDerWaalsContact CA-O 3.3Å; S581-G619 WeakPolarHBondContact CA-O 3.36Å; S581-G619 PolarHBondContact OG-O 3.22Å; S581-F653 WeakPolarHBondContact O-CD2 3.31Å; S581-S654 PolarHBondContact N-O 3.37Å; S581-S654 PolarHBondContact O-N 3.4Å; S581-S654 VanDerWaalsContact O-O 3.12Å
582Y98.8Very high97.8Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-139.9151175.655.1-88.3000110.9M584 V593 L595 M603 S605 L617 S618 G619 I633 S652Y582-M584 HydrophobicContact CD2-CE 3.99Å; Y582-M584 HydrophobicContact CD2-CG 4.49Å; Y582-M584 HydrophobicContact CG-CE 4.19Å; Y582-V593 HydrophobicContact CD2-CG2 4.21Å; Y582-V593 HydrophobicContact CE2-CG2 3.58Å; Y582-L595 HydrophobicContact CE1-CB 4.19Å; Y582-M603 HydrophobicContact CE1-SD 4.32Å; Y582-S605 PolarHBondContact OH-OG 3.21Å; Y582-L617 HydrophobicContact CD2-CD1 4.49Å; Y582-L617 HydrophobicContact CE2-CD1 4.23Å; Y582-S618 VanDerWaalsContact O-CA 3.32Å; Y582-S618 WeakPolarHBondContact O-CA 3.09Å; Y582-G619 PolarHBondContact N-O 3.46Å; Y582-G619 PolarHBondContact O-N 3.14Å; Y582-I633 HydrophobicContact CD1-CD1 3.35Å; Y582-I633 HydrophobicContact CD1-CG1 4.4Å; Y582-I633 HydrophobicContact CD2-CD1 4.26Å; Y582-I633 HydrophobicContact CE1-CD1 3.68Å; Y582-I633 HydrophobicContact CG-CD1 3.65Å; Y582-I633 HydrophobicContact CG-CG1 4.37Å; Y582-S652 CarbonylContact C-O 3.57Å; Y582-S652 WeakPolarHBondContact CA-O 3.23Å; Y582-S652 WeakPolarHBondContact CB-O 3.41Å
583H98.6Very high97.8Very high77 Ų7731 Ų3136%0.35617%0.173SC..EExtended strand (participates in β ladder)trans-134.6120.2177.9-55.7-79.6000108.1S618 C651 S652H583-S618 PolarHBondContact ND1-OG 3.49Å; H583-C651 CarbonylContact O-C 3.59Å; H583-C651 VanDerWaalsContact O-CA 3.24Å; H583-C651 WeakPolarHBondContact O-CA 3.45Å; H583-S652 PolarHBondContact CD2-OG 3.42Å; H583-S652 PolarHBondContact N-O 3.47Å; H583-S652 PolarHBondContact O-N 3.23Å
584M98.3Very high97.8Very high3 Ų326.3 Ų26.32%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-117.9151.7175.8-45.9-5717400110.2F552 Y582 V593 Q616 L617 I633 V643 C651F552-M584 HydrophobicContact CE1-CE 3.85Å; F552-M584 HydrophobicContact CE1-SD 4.07Å; F552-M584 HydrophobicContact CZ-CE 3.42Å; F552-M584 VanDerWaalsContact CZ-CE 3.42Å; F552-M584 HydrophobicContact CZ-SD 4.14Å; Y582-M584 HydrophobicContact CD2-CE 3.99Å; Y582-M584 HydrophobicContact CD2-CG 4.49Å; Y582-M584 HydrophobicContact CG-CE 4.19Å; M584-V593 HydrophobicContact CG-CG1 4.25Å; M584-Q616 CarbonylContact O-C 3.59Å; M584-Q616 WeakPolarHBondContact O-CA 3.4Å; M584-Q616 PolarHBondContact O-NE2 3.23Å; M584-L617 HydrophobicContact CB-CD1 3.8Å; M584-L617 HydrophobicContact CB-CG 3.9Å; M584-L617 HydrophobicContact CG-CD1 3.78Å; M584-L617 HydrophobicContact CG-CG 4.43Å; M584-L617 PolarHBondContact N-O 3.41Å; M584-L617 PolarHBondContact O-N 3.33Å; M584-I633 HydrophobicContact CE-CB 4.47Å; M584-I633 HydrophobicContact CE-CG1 4.27Å; M584-I633 HydrophobicContact CE-CG2 3.86Å; M584-V643 HydrophobicContact CB-CG1 4.34Å; M584-V643 HydrophobicContact SD-CG1 4.45Å; M584-C651 VanDerWaalsContact CA-SG 3.58Å; M584-C651 HydrophobicContact SD-CB 3.67Å
585H98.1Very high97.9Very high45 Ų4524.9 Ų24.921%0.20814%0.143CC..EExtended strand (participates in β ladder)trans-100.1148.5166.9-68-79.5000110.3L614 D615 F644 V649 H650 C651H585-L614 HydrophobicContact CB-CD1 4.05Å; H585-D615 WeakPolarHBondContact CA-O 3.4Å; H585-F644 WeakPolarHBondContact CB-O 3.24Å; H585-F644 PolarHBondContact O-N 3.45Å; H585-V649 HydrophobicContact CB-CG1 3.86Å; H585-V649 WeakPolarHBondContact CD2-CG1 3.35Å; H585-V649 VanDerWaalsContact CG-CG1 3.45Å; H585-H650 PolarHBondContact CD2-O 3.21Å; H585-H650 PolarHBondContact NE2-O 3.46Å; H585-C651 PolarHBondContact N-SG 3.33Å
586V98Very high98Very high0 Ų023.9 Ų23.90%013%0.133CC..EExtended strand (participates in β ladder)trans-120.4117.8-169.9-174.60000109.3A591 D607 D615 L617 G642V586-A591 HydrophobicContact CB-CB 4.31Å; V586-A591 HydrophobicContact CG1-CB 3.74Å; V586-A591 HydrophobicContact CG2-CB 3.81Å; V586-D607 HydrophobicContact CG2-CB 3.99Å; V586-D615 HydrophobicContact CB-CB 4.16Å; V586-D615 PolarHBondContact N-O 3.47Å; V586-D615 PolarHBondContact O-N 3.39Å; V586-D615 VanDerWaalsContact O-N 3.08Å; V586-L617 HydrophobicContact CG2-CB 4.25Å; V586-L617 HydrophobicContact CG2-CD2 3.61Å; V586-L617 HydrophobicContact CG2-CG 3.98Å; V586-G642 WeakPolarHBondContact CA-O 3.39Å
587N97.1Very high98Very high40 Ų4026.1 Ų26.121%0.21414%0.143CC..EExtended strand (participates in β ladder)trans-155.1142.2-179.1-16410.2000112.6Y543 A589 Y609 L614 G642 F644Y543-N587 WeakPolarHBondContact CE1-O 3.39Å; Y543-N587 PolarHBondContact OH-O 3.18Å; Y543-N587 VanDerWaalsContact OH-O 3.11Å; N587-A589 PolarHBondContact O-N 3.25Å; N587-Y609 VanDerWaalsContact OD1-CE2 3.23Å; N587-Y609 WeakPolarHBondContact OD1-CE2 3.18Å; N587-Y609 PolarHBondContact OD1-OH 3.27Å; N587-L614 HydrophobicContact CB-CD1 3.79Å; N587-G642 PolarHBondContact N-O 3.18Å; N587-F644 HydrophobicContact CB-CB 3.56Å; N587-F644 HydrophobicContact CB-CD1 4.27Å; N587-F644 HydrophobicContact CB-CD2 4.04Å; N587-F644 HydrophobicContact CB-CG 3.69Å
588G94.9Very high98Very high45 Ų4527.4 Ų27.446%0.46415%0.15SC..EExtended strand (participates in β ladder)trans85.4-35.317400000114.4Y609G588-Y609 VanDerWaalsContact CA-CE1 3.47Å
589A95.6Very high98Very high34 Ų3429.5 Ų29.528%0.28117%0.171SC..EExtended strand (participates in β ladder)trans-149.2167.4174.800000110.3N587 Y609 G642N587-A589 PolarHBondContact O-N 3.25Å; A589-Y609 WeakPolarHBondContact O-CB 3.48Å; A589-G642 WeakPolarHBondContact O-CA 3.48Å
590N97.4Very high97.9Very high55 Ų5532.8 Ų32.829%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-60.9150170.7-60.7-14.5000109.4Y606 Y609 T640 G642N590-Y606 HydrophobicContact CB-CE2 3.95Å; N590-Y606 PolarHBondContact ND2-OH 3.17Å; N590-Y609 PolarHBondContact OD1-N 3.21Å; N590-T640 CarbonylContact O-C 3.56Å; N590-T640 VanDerWaalsContact O-CA 3.23Å; N590-T640 WeakPolarHBondContact O-CA 3.38Å; N590-G642 VanDerWaalsContact O-CA 3.32Å; N590-G642 WeakPolarHBondContact O-CA 3.44Å; N590-G642 PolarHBondContact O-N 3.49Å
591A98Very high97.9Very high0 Ų035.5 Ų35.50%021%0.207CC..EExtended strand (participates in β ladder)trans-116123.3-179.600000110.5V586 Y606 D607 L617 T640 V643V586-A591 HydrophobicContact CB-CB 4.31Å; V586-A591 HydrophobicContact CG1-CB 3.74Å; V586-A591 HydrophobicContact CG2-CB 3.81Å; A591-Y606 CarbonylContact O-C 3.57Å; A591-Y606 VanDerWaalsContact O-CA 3.3Å; A591-Y606 WeakPolarHBondContact O-CA 3.27Å; A591-Y606 WeakPolarHBondContact O-CD2 3.1Å; A591-D607 PolarHBondContact N-O 3.29Å; A591-D607 PolarHBondContact O-N 3.28Å; A591-L617 HydrophobicContact CB-CD2 3.52Å; A591-T640 CarbonylContact C-O 3.55Å; A591-T640 VanDerWaalsContact CA-O 3.28Å; A591-T640 WeakPolarHBondContact CA-O 3.3Å; A591-V643 HydrophobicContact CB-CG2 4.39Å
592L98.3Very high97.8Very high33 Ų3338.1 Ų38.117%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-115.6121.4164.9-177.263.8000108.4F604 Y606 P636 T640L592-F604 HydrophobicContact CD1-CB 4.38Å; L592-F604 HydrophobicContact CD1-CD1 4.25Å; L592-Y606 HydrophobicContact CB-CD2 4.14Å; L592-Y606 HydrophobicContact CD1-CD2 4.19Å; L592-P636 HydrophobicContact CD2-CB 4.34Å; L592-P636 HydrophobicContact CD2-CG 3.93Å; L592-P636 HydrophobicContact CG-CG 4.03Å; L592-P636 WeakPolarHBondContact O-CD 3.22Å; L592-T640 HydrophobicContact CB-CG2 4.37Å; L592-T640 VanDerWaalsContact CB-OG1 3.25Å; L592-T640 WeakPolarHBondContact CB-OG1 3.48Å; L592-T640 PolarHBondContact N-O 3.47Å
593V98.3Very high97.8Very high1 Ų140.3 Ų40.31%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-122.8146.5171.6-60.60000109.7Y582 M584 F604 S605 L617 I633 V635 V643Y582-V593 HydrophobicContact CD2-CG2 4.21Å; Y582-V593 HydrophobicContact CE2-CG2 3.58Å; M584-V593 HydrophobicContact CG-CG1 4.25Å; V593-F604 WeakPolarHBondContact O-CA 3.41Å; V593-S605 PolarHBondContact N-O 3.26Å; V593-S605 PolarHBondContact O-N 3.28Å; V593-L617 HydrophobicContact CG2-CD1 3.44Å; V593-L617 VanDerWaalsContact CG2-CD1 3.44Å; V593-I633 HydrophobicContact CB-CG2 4.2Å; V593-V635 HydrophobicContact CG1-CG2 4.3Å; V593-V643 HydrophobicContact CG1-CG2 3.58Å
594A98.4Very high97.8Very high0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-127.7139.4173.600000111.2Y596 P601 M603 F604 I633 Q634 P636A594-Y596 HydrophobicContact CB-CD2 4.11Å; A594-Y596 HydrophobicContact CB-CE2 3.53Å; A594-Y596 WeakPolarHBondContact O-CD2 3.44Å; A594-P601 HydrophobicContact CB-CB 4.3Å; A594-M603 CarbonylContact C-O 3.57Å; A594-M603 WeakPolarHBondContact CA-O 3.42Å; A594-F604 HydrophobicContact CB-CD1 3.64Å; A594-F604 HydrophobicContact CB-CE1 3.73Å; A594-F604 HydrophobicContact CB-CG 4.34Å; A594-I633 WeakPolarHBondContact O-CA 3.19Å; A594-Q634 PolarHBondContact N-O 3.47Å; A594-Q634 PolarHBondContact O-N 3.4Å; A594-P636 HydrophobicContact CB-CG 4.23Å
595L98.8Very high97.8Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-85.4128.6165.4-17574.4000108F580 Y582 I602 M603 T621 L623 V631 I633 F653F580-L595 HydrophobicContact CB-CD2 4.33Å; Y582-L595 HydrophobicContact CE1-CB 4.19Å; L595-I602 HydrophobicContact CB-CG1 4.27Å; L595-I602 HydrophobicContact CD2-CD1 3.67Å; L595-I602 HydrophobicContact CD2-CG1 4.22Å; L595-I602 HydrophobicContact CG-CD1 3.97Å; L595-I602 HydrophobicContact CG-CG1 4.16Å; L595-I602 WeakPolarHBondContact O-CG1 3.49Å; L595-I602 PolarHBondContact O-N 3.12Å; L595-M603 HydrophobicContact CB-CB 4.23Å; L595-M603 PolarHBondContact N-O 3.5Å; L595-M603 PolarHBondContact O-N 3.35Å; L595-T621 HydrophobicContact CD2-CG2 3.39Å; L595-L623 HydrophobicContact CD2-CD1 4.26Å; L595-V631 HydrophobicContact CD1-CG1 3.67Å; L595-V631 HydrophobicContact CG-CG1 4.18Å; L595-I633 HydrophobicContact CB-CD1 3.98Å; L595-I633 HydrophobicContact CD1-CD1 3.49Å; L595-I633 VanDerWaalsContact CD1-CD1 3.49Å; L595-I633 HydrophobicContact CD1-CG1 4.31Å; L595-I633 HydrophobicContact CG-CD1 4.35Å; L595-F653 HydrophobicContact CD1-CE2 3.8Å; L595-F653 HydrophobicContact CD1-CZ 3.83Å
596Y98.8Very high97.8Very high25 Ų2546 Ų4610%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-109.4145.1179.5-75.6-104.3000110.7A594 G599 E600 P601 V631 Y632 Q634A594-Y596 HydrophobicContact CB-CD2 4.11Å; A594-Y596 HydrophobicContact CB-CE2 3.53Å; A594-Y596 WeakPolarHBondContact O-CD2 3.44Å; Y596-G599 WeakPolarHBondContact CD1-O 3.33Å; Y596-E600 CarbonylContact C-O 3.48Å; Y596-E600 VanDerWaalsContact CA-O 3.29Å; Y596-E600 WeakPolarHBondContact CA-O 3.43Å; Y596-P601 HydrophobicContact CD1-CB 4.13Å; Y596-P601 HydrophobicContact CE1-CB 3.77Å; Y596-P601 HydrophobicContact CE1-CG 4.08Å; Y596-P601 HydrophobicContact CE2-CB 4.3Å; Y596-V631 VanDerWaalsContact O-CA 3.3Å; Y596-V631 WeakPolarHBondContact O-CA 3.34Å; Y596-V631 WeakPolarHBondContact O-CG1 3.29Å; Y596-Y632 VanDerWaalsContact CB-CE2 3.46Å; Y596-Y632 VanDerWaalsContact CB-CZ 3.42Å; Y596-Y632 HydrophobicContact CD1-CE2 4.22Å; Y596-Y632 HydrophobicContact CD2-CD2 4.31Å; Y596-Y632 AromaticContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CG-CD2 4.3Å; Y596-Y632 AromaticContact CG-CE2 3.59Å; Y596-Y632 HydrophobicContact CG-CE2 3.59Å; Y596-Y632 AromaticContact CG-CZ 3.8Å; Y596-Y632 PolarHBondContact N-O 3.08Å; Y596-Y632 PolarHBondContact O-N 3.43Å; Y596-Q634 HydrophobicContact CD2-CB 3.86Å; Y596-Q634 HydrophobicContact CE2-CB 3.63Å; Y596-Q634 HydrophobicContact CE2-CG 4.02Å
597K98.6Very high97.8Very high47 Ų4747.7 Ų47.720%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-123.1121.1164.6-180-178177.21780108.2G599 E600 I602 M624 L625 D629 Q630K597-G599 PolarHBondContact O-N 3.42Å; K597-G599 VanDerWaalsContact O-N 3.14Å; K597-E600 PolarHBondContact N-O 3.38Å; K597-E600 PolarHBondContact O-N 3.48Å; K597-I602 HydrophobicContact CB-CD1 4.07Å; K597-I602 HydrophobicContact CB-CG1 4.44Å; K597-I602 HydrophobicContact CB-CG2 3.97Å; K597-M624 PolarHBondContact NZ-O 3.4Å; K597-L625 HydrophobicContact CD-CD2 4.01Å; K597-L625 HydrophobicContact CG-CD2 4.48Å; K597-D629 VanDerWaalsContact CE-CG 3.47Å; K597-D629 WeakPolarHBondContact CE-OD2 3.37Å; K597-D629 IonicContact NZ-OD2 2.82Å; K597-D629 PolarHBondContact NZ-OD2 3.23Å; K597-Q630 CarbonylContact C-O 3.48Å; K597-Q630 WeakPolarHBondContact CA-O 3.32Å
598N98.1Very high97.8Very high83 Ų8351 Ų5144%0.44428%0.277SS..THydrogen-bonded Turntrans51.137.1177.4-60-20000114.2E600 D629 Q630N598-E600 VanDerWaalsContact C-N 3.33Å; N598-E600 PolarHBondContact O-N 3.36Å; N598-D629 PolarHBondContact ND2-OD1 3.12Å; N598-D629 VanDerWaalsContact OD1-CA 3.31Å; N598-D629 WeakPolarHBondContact OD1-CA 3.37Å; N598-Q630 PolarHBondContact N-O 3.47Å; N598-Q630 PolarHBondContact OD1-N 3.47Å
599G97.4Very high97.9Very high43 Ų4351.3 Ų51.344%0.44326%0.264SS..THydrogen-bonded Turntrans85.8-7.1-178.500000115.5Y596 K597 Y632Y596-G599 WeakPolarHBondContact CD1-O 3.33Å; K597-G599 PolarHBondContact O-N 3.42Å; K597-G599 VanDerWaalsContact O-N 3.14Å; G599-Y632 WeakPolarHBondContact CA-OH 3.32Å
600E98Very high97.9Very high142 Ų14254.2 Ų54.266%0.66428%0.275SS*.EExtended strand (participates in β ladder)trans-99.6130.3175.2-64.6-169161.800111.2Y596 K597 N598 I602Y596-E600 CarbonylContact C-O 3.48Å; Y596-E600 VanDerWaalsContact CA-O 3.29Å; Y596-E600 WeakPolarHBondContact CA-O 3.43Å; K597-E600 PolarHBondContact N-O 3.38Å; K597-E600 PolarHBondContact O-N 3.48Å; N598-E600 VanDerWaalsContact C-N 3.33Å; N598-E600 PolarHBondContact O-N 3.36Å; E600-I602 PolarHBondContact O-N 3.28Å
601P97.8Very high97.8Very high57 Ų5760.7 Ų60.737%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-72.2127.7174.829.5-32000109.9A594 Y596 F604A594-P601 HydrophobicContact CB-CB 4.3Å; Y596-P601 HydrophobicContact CD1-CB 4.13Å; Y596-P601 HydrophobicContact CE1-CB 3.77Å; Y596-P601 HydrophobicContact CE1-CG 4.08Å; Y596-P601 HydrophobicContact CE2-CB 4.3Å; P601-F604 HydrophobicContact CB-CE1 4.12Å; P601-F604 HydrophobicContact CB-CE2 3.88Å; P601-F604 HydrophobicContact CB-CZ 3.45Å; P601-F604 VanDerWaalsContact CB-CZ 3.45Å; P601-F604 HydrophobicContact CG-CE2 4.19Å; P601-F604 HydrophobicContact CG-CZ 3.67Å
602I97.7Very high97.5Very high70 Ų7063.7 Ų63.736%0.35933%0.331SS..EExtended strand (participates in β ladder)trans-112.6-19.7-175.851.7161.1000113.2L595 K597 E600 L623L595-I602 HydrophobicContact CB-CG1 4.27Å; L595-I602 HydrophobicContact CD2-CD1 3.67Å; L595-I602 HydrophobicContact CD2-CG1 4.22Å; L595-I602 HydrophobicContact CG-CD1 3.97Å; L595-I602 HydrophobicContact CG-CG1 4.16Å; L595-I602 WeakPolarHBondContact O-CG1 3.49Å; L595-I602 PolarHBondContact O-N 3.12Å; K597-I602 HydrophobicContact CB-CD1 4.07Å; K597-I602 HydrophobicContact CB-CG1 4.44Å; K597-I602 HydrophobicContact CB-CG2 3.97Å; E600-I602 PolarHBondContact O-N 3.28Å; I602-L623 HydrophobicContact CD1-CD1 3.31Å; I602-L623 HydrophobicContact CD1-CD2 3.52Å; I602-L623 HydrophobicContact CD1-CG 4.03Å
603M98.3Very high97.3Very high47 Ų4769.3 Ų69.323%0.23236%0.355CS..EExtended strand (participates in β ladder)trans-151.2133.1177.6173.5176.1-75.500109.2Y582 A594 L595 S620 T621Y582-M603 HydrophobicContact CE1-SD 4.32Å; A594-M603 CarbonylContact C-O 3.57Å; A594-M603 WeakPolarHBondContact CA-O 3.42Å; L595-M603 HydrophobicContact CB-CB 4.23Å; L595-M603 PolarHBondContact N-O 3.5Å; L595-M603 PolarHBondContact O-N 3.35Å; M603-S620 WeakPolarHBondContact CE-O 3.27Å; M603-T621 HydrophobicContact CE-CG2 4.36Å
604F98.2Very high97.2Very high116 Ų11673.3 Ų73.351%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-111.7138.5172.6-64.7-91.2000109.3L592 V593 A594 P601 P636L592-F604 HydrophobicContact CD1-CB 4.38Å; L592-F604 HydrophobicContact CD1-CD1 4.25Å; V593-F604 WeakPolarHBondContact O-CA 3.41Å; A594-F604 HydrophobicContact CB-CD1 3.64Å; A594-F604 HydrophobicContact CB-CE1 3.73Å; A594-F604 HydrophobicContact CB-CG 4.34Å; P601-F604 HydrophobicContact CB-CE1 4.12Å; P601-F604 HydrophobicContact CB-CE2 3.88Å; P601-F604 HydrophobicContact CB-CZ 3.45Å; P601-F604 VanDerWaalsContact CB-CZ 3.45Å; P601-F604 HydrophobicContact CG-CE2 4.19Å; P601-F604 HydrophobicContact CG-CZ 3.67Å; F604-P636 HydrophobicContact CE1-CG 4.48Å
605S98.4Very high97.2Very high20 Ų2076.7 Ų76.714%0.1439%0.393CS..EExtended strand (participates in β ladder)trans-126126.8168.7-73.60000108.3Y582 V593Y582-S605 PolarHBondContact OH-OG 3.21Å; V593-S605 PolarHBondContact N-O 3.26Å; V593-S605 PolarHBondContact O-N 3.28Å
606Y98.2Very high97.1Very high109 Ų10980.4 Ų80.443%0.42741%0.411SS..EExtended strand (participates in β ladder)trans-123.8142.1-179176.9-101.9000109.6N590 A591 L592 E608 T640N590-Y606 HydrophobicContact CB-CE2 3.95Å; N590-Y606 PolarHBondContact ND2-OH 3.17Å; A591-Y606 CarbonylContact O-C 3.57Å; A591-Y606 VanDerWaalsContact O-CA 3.3Å; A591-Y606 WeakPolarHBondContact O-CA 3.27Å; A591-Y606 WeakPolarHBondContact O-CD2 3.1Å; L592-Y606 HydrophobicContact CB-CD2 4.14Å; L592-Y606 HydrophobicContact CD1-CD2 4.19Å; Y606-E608 HydrophobicContact CD1-CG 4.41Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å; Y606-T640 HydrophobicContact CE2-CG2 4.4Å
607D98.1Very high97.1Very high34 Ų3479.7 Ų79.718%0.18241%0.409CS..EExtended strand (participates in β ladder)trans-147.3146.1174.4-163.22.7000110.8V586 A591 L617V586-D607 HydrophobicContact CG2-CB 3.99Å; A591-D607 PolarHBondContact N-O 3.29Å; A591-D607 PolarHBondContact O-N 3.28Å; D607-L617 HydrophobicContact CB-CB 3.77Å; D607-L617 HydrophobicContact CB-CD2 3.82Å; D607-L617 HydrophobicContact CB-CG 4.43Å
608E97.3Very high97Very high111 Ų11179.9 Ų79.952%0.51942%0.416SS..  trans-98.2130.2-174.1-65-169.5155.900110.7Y606 N610Y606-E608 HydrophobicContact CD1-CG 4.41Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å; E608-N610 PolarHBondContact O-N 3.29Å
609Y96.9Very high97Very high50 Ų5076.4 Ų76.420%0.19640%0.399CS..  trans-83.4115.1176.2170.4-117.5000111.2N587 G588 A589 N590 G612 F613N587-Y609 VanDerWaalsContact OD1-CE2 3.23Å; N587-Y609 WeakPolarHBondContact OD1-CE2 3.18Å; N587-Y609 PolarHBondContact OD1-OH 3.27Å; G588-Y609 VanDerWaalsContact CA-CE1 3.47Å; A589-Y609 WeakPolarHBondContact O-CB 3.48Å; N590-Y609 PolarHBondContact OD1-N 3.21Å; Y609-G612 PolarHBondContact OH-N 3.2Å; Y609-F613 WeakPolarHBondContact CD2-O 3.29Å; Y609-F613 WeakPolarHBondContact CE2-O 3.45Å
610N94.9Very high97.1Very high95 Ų9576.9 Ų76.951%0.50840%0.396SS..  trans-84.8117.6168.2-71.6-58.4000110.1E608 G612 F613E608-N610 PolarHBondContact O-N 3.29Å; N610-G612 PolarHBondContact O-N 2.88Å; N610-G612 VanDerWaalsContact O-N 3.09Å; N610-F613 HydrophobicContact CB-CB 4.31Å; N610-F613 HydrophobicContact CB-CD2 4.26Å; N610-F613 WeakPolarHBondContact O-CB 3.49Å; N610-F613 PolarHBondContact O-N 3.26Å
611K94.4Very high97.1Very high191 Ų19171.8 Ų71.883%0.8338%0.375SS*.THydrogen-bonded Turntrans-49.9118.5-174.2-172.6177.6-178.4176.70112.5
612G92.4Very high97.2Very high63 Ų6372.5 Ų72.565%0.64938%0.378SS*.THydrogen-bonded Turntrans91.1-0179.300000114.8Y609 N610Y609-G612 PolarHBondContact OH-N 3.2Å; N610-G612 PolarHBondContact O-N 2.88Å; N610-G612 VanDerWaalsContact O-N 3.09Å
613F95.4Very high97.2Very high152 Ų15270.2 Ų70.267%0.66737%0.366SS*.  trans-121.5122.7-179.5-61.3-85.7000110.3Y609 N610Y609-F613 WeakPolarHBondContact CD2-O 3.29Å; Y609-F613 WeakPolarHBondContact CE2-O 3.45Å; N610-F613 HydrophobicContact CB-CB 4.31Å; N610-F613 HydrophobicContact CB-CD2 4.26Å; N610-F613 WeakPolarHBondContact O-CB 3.49Å; N610-F613 PolarHBondContact O-N 3.26Å
614L95.6Very high97.2Very high85 Ų8572.7 Ų72.745%0.44538%0.378SS..  trans-74.2130.9170.4-176.872000108.7H585 N587 F644 V649H585-L614 HydrophobicContact CB-CD1 4.05Å; N587-L614 HydrophobicContact CB-CD1 3.79Å; L614-F644 HydrophobicContact CD1-CD1 3.95Å; L614-V649 HydrophobicContact CD2-CG1 4.34Å
615D97.8Very high97.2Very high70 Ų7067.1 Ų67.137%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-117.3178.9173.1-140.3-28000112.1H585 V586H585-D615 WeakPolarHBondContact CA-O 3.4Å; V586-D615 HydrophobicContact CB-CB 4.16Å; V586-D615 PolarHBondContact N-O 3.47Å; V586-D615 PolarHBondContact O-N 3.39Å; V586-D615 VanDerWaalsContact O-N 3.08Å
616Q97.6Very high97.1Very high79 Ų7971.1 Ų71.137%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-141.7117.3-174.5-162.9-68.5-70.100110.8M584 S618M584-Q616 CarbonylContact O-C 3.59Å; M584-Q616 WeakPolarHBondContact O-CA 3.4Å; M584-Q616 PolarHBondContact O-NE2 3.23Å; Q616-S618 VanDerWaalsContact CD-OG 3.24Å; Q616-S618 PolarHBondContact NE2-OG 3.45Å; Q616-S618 PolarHBondContact OE1-OG 3.12Å
617L97.2Very high97Very high9 Ų968 Ų685%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-106.9137.4173.372.284.3000111.6Y582 M584 V586 A591 V593 D607Y582-L617 HydrophobicContact CD2-CD1 4.49Å; Y582-L617 HydrophobicContact CE2-CD1 4.23Å; M584-L617 HydrophobicContact CB-CD1 3.8Å; M584-L617 HydrophobicContact CB-CG 3.9Å; M584-L617 HydrophobicContact CG-CD1 3.78Å; M584-L617 HydrophobicContact CG-CG 4.43Å; M584-L617 PolarHBondContact N-O 3.41Å; M584-L617 PolarHBondContact O-N 3.33Å; V586-L617 HydrophobicContact CG2-CB 4.25Å; V586-L617 HydrophobicContact CG2-CD2 3.61Å; V586-L617 HydrophobicContact CG2-CG 3.98Å; A591-L617 HydrophobicContact CB-CD2 3.52Å; V593-L617 HydrophobicContact CG2-CD1 3.44Å; V593-L617 VanDerWaalsContact CG2-CD1 3.44Å; D607-L617 HydrophobicContact CB-CB 3.77Å; D607-L617 HydrophobicContact CB-CD2 3.82Å; D607-L617 HydrophobicContact CB-CG 4.43Å
618S98.3Very high97Very high52 Ų5273 Ų7336%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-132.4148.5179.7-62.60000111Y582 H583 Q616Y582-S618 VanDerWaalsContact O-CA 3.32Å; Y582-S618 WeakPolarHBondContact O-CA 3.09Å; H583-S618 PolarHBondContact ND1-OG 3.49Å; Q616-S618 VanDerWaalsContact CD-OG 3.24Å; Q616-S618 PolarHBondContact NE2-OG 3.45Å; Q616-S618 PolarHBondContact OE1-OG 3.12Å
619G98.2Very high97Very high9 Ų968.4 Ų68.49%0.09337%0.372CS..EExtended strand (participates in β ladder)trans-142.4151.2172.600000110.8S581 Y582S581-G619 VanDerWaalsContact CA-O 3.3Å; S581-G619 WeakPolarHBondContact CA-O 3.36Å; S581-G619 PolarHBondContact OG-O 3.22Å; Y582-G619 PolarHBondContact N-O 3.46Å; Y582-G619 PolarHBondContact O-N 3.14Å
620S98.5Very high97.1Very high54 Ų5470 Ų7038%0.37838%0.381SS..EExtended strand (participates in β ladder)trans-153.8148.5171.371.10000111.7Y579 F580 M603Y579-S620 WeakPolarHBondContact OH-CB 3.4Å; Y579-S620 PolarHBondContact OH-OG 3.49Å; Y579-S620 VanDerWaalsContact OH-OG 3.11Å; F580-S620 CarbonylContact O-C 3.52Å; F580-S620 WeakPolarHBondContact O-CA 3.5Å; F580-S620 VanDerWaalsContact O-CB 3.27Å; F580-S620 WeakPolarHBondContact O-CB 3.33Å; M603-S620 WeakPolarHBondContact CE-O 3.27Å
621T98.5Very high97.3Very high35 Ų3565.4 Ų65.422%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-152.7162.1-179.7-167.70000111.7F580 L595 M603 L623F580-T621 PolarHBondContact N-O 3.37Å; F580-T621 PolarHBondContact O-N 2.95Å; L595-T621 HydrophobicContact CD2-CG2 3.39Å; M603-T621 HydrophobicContact CE-CG2 4.36Å; T621-L623 HydrophobicContact CG2-CD1 4.17Å; T621-L623 HydrophobicContact CG2-CD2 3.94Å; T621-L623 HydrophobicContact CG2-CG 3.88Å
622V98.4Very high97.5Very high72 Ų7257.5 Ų57.544%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-109.3128.7172.6178.20000108.7L577 Y578 Y579 I658L577-V622 HydrophobicContact CD1-CG1 3.48Å; L577-V622 VanDerWaalsContact CD1-CG1 3.48Å; L577-V622 HydrophobicContact CD2-CG1 3.83Å; L577-V622 HydrophobicContact CG-CG1 3.46Å; L577-V622 VanDerWaalsContact CG-CG1 3.46Å; Y578-V622 CarbonylContact O-C 3Å; Y578-V622 VanDerWaalsContact O-CA 3.22Å; Y578-V622 WeakPolarHBondContact O-CA 3.21Å; Y579-V622 HydrophobicContact CD2-CG2 3.97Å; V622-I658 HydrophobicContact CG1-CD1 3.98Å; V622-I658 HydrophobicContact CG2-CD1 4.14Å
623L97.9Very high97.8Very high22 Ų2254.5 Ų54.512%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-126.5135.3-177.3-57.1175.1000111Y578 F580 L595 I602 T621 L625 V631Y578-L623 PolarHBondContact N-O 3.36Å; Y578-L623 PolarHBondContact O-N 3.24Å; F580-L623 HydrophobicContact CD2-CD1 3.76Å; F580-L623 HydrophobicContact CD2-CG 4.25Å; F580-L623 HydrophobicContact CE2-CB 4.44Å; F580-L623 HydrophobicContact CE2-CD1 3.95Å; L595-L623 HydrophobicContact CD2-CD1 4.26Å; I602-L623 HydrophobicContact CD1-CD1 3.31Å; I602-L623 HydrophobicContact CD1-CD2 3.52Å; I602-L623 HydrophobicContact CD1-CG 4.03Å; T621-L623 HydrophobicContact CG2-CD1 4.17Å; T621-L623 HydrophobicContact CG2-CD2 3.94Å; T621-L623 HydrophobicContact CG2-CG 3.88Å; L623-L625 HydrophobicContact CB-CD2 3.91Å; L623-L625 HydrophobicContact CB-CG 4.34Å; L623-L625 HydrophobicContact CD1-CD2 4.45Å; L623-V631 HydrophobicContact CD1-CG1 4.42Å; L623-V631 HydrophobicContact CD1-CG2 4.39Å
624M98.1Very high98Very high98 Ų9848.3 Ų48.348%0.48326%0.264SS..EExtended strand (participates in β ladder)trans-80121.3161.9-171.363.473.500108.4G576 L577 K597 T661G576-M624 VanDerWaalsContact C-SD 3.51Å; L577-M624 HydrophobicContact CB-CE 4.44Å; L577-M624 HydrophobicContact CD1-CE 3.97Å; K597-M624 PolarHBondContact NZ-O 3.4Å; M624-T661 HydrophobicContact CE-CG2 4.07Å; M624-T661 HydrophobicContact SD-CG2 3.82Å
625L98.4Very high98.1Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-115.9135.2179.1-58.8-171.4000110.7F570 C572 P575 G576 Y578 F580 K597 L623 D629 V631F570-L625 HydrophobicContact CD1-CD1 4.35Å; F570-L625 HydrophobicContact CE1-CD1 3.78Å; C572-L625 HydrophobicContact CB-CB 4.13Å; C572-L625 HydrophobicContact CB-CD1 4.09Å; P575-L625 WeakPolarHBondContact CA-O 3.26Å; G576-L625 PolarHBondContact N-O 3.09Å; G576-L625 PolarHBondContact O-N 2.94Å; Y578-L625 HydrophobicContact CD1-CD1 4.45Å; Y578-L625 HydrophobicContact CD2-CB 3.86Å; Y578-L625 HydrophobicContact CD2-CD1 3.65Å; Y578-L625 HydrophobicContact CD2-CG 3.78Å; Y578-L625 HydrophobicContact CE2-CB 4.07Å; Y578-L625 HydrophobicContact CE2-CD1 4.11Å; Y578-L625 HydrophobicContact CE2-CG 4.39Å; Y578-L625 HydrophobicContact CG-CD1 3.83Å; Y578-L625 HydrophobicContact CG-CG 4.28Å; F580-L625 HydrophobicContact CE2-CD1 3.84Å; F580-L625 HydrophobicContact CZ-CD1 3.8Å; K597-L625 HydrophobicContact CD-CD2 4.01Å; K597-L625 HydrophobicContact CG-CD2 4.48Å; L623-L625 HydrophobicContact CB-CD2 3.91Å; L623-L625 HydrophobicContact CB-CG 4.34Å; L623-L625 HydrophobicContact CD1-CD2 4.45Å; L625-D629 WeakPolarHBondContact CA-OD2 3.43Å; L625-D629 HydrophobicContact CB-CB 4.21Å; L625-D629 HydrophobicContact CD2-CB 4.12Å; L625-V631 HydrophobicContact CD1-CG2 3.9Å; L625-V631 HydrophobicContact CD2-CG2 3.9Å
626N98.1Very high97.9Very high103 Ų10342.7 Ų42.755%0.55124%0.236SC*.  trans-86.5168.2165.5-64.3-43.5000110C572 H628 D629C572-N626 VanDerWaalsContact CB-O 3.29Å; C572-N626 WeakPolarHBondContact CB-O 3.41Å; C572-N626 PolarHBondContact SG-O 3.36Å; N626-H628 PolarHBondContact O-N 3.43Å; N626-D629 PolarHBondContact N-OD2 3.27Å; N626-D629 WeakPolarHBondContact O-CB 3.34Å; N626-D629 PolarHBondContact O-N 3.43Å
627A95.9Very high97.8Very high44 Ų4441.6 Ų41.636%0.36423%0.233SC..THydrogen-bonded Turntrans-56.8138.2170.500000109.9P575 D629P575-A627 HydrophobicContact CG-CB 4.01Å; A627-D629 PolarHBondContact O-N 3.17Å
628H96.8Very high97.6Very high138 Ų13847 Ų4764%0.63926%0.258SS*.THydrogen-bonded Turntrans69.51.9-177.9-45.2-63.6000116.4C572 N626 Q630C572-H628 WeakPolarHBondContact O-CA 3.43Å; C572-H628 PolarHBondContact O-N 3.3Å; N626-H628 PolarHBondContact O-N 3.43Å; H628-Q630 PolarHBondContact O-N 3.33Å
629D98.6Very high97.4Very high16 Ų1653 Ų539%0.08628%0.281CS..  trans-59.9135.8168.5-80.3-12.6000109.8C572 K597 N598 L625 N626 A627C572-D629 HydrophobicContact CB-CB 4.27Å; C572-D629 VanDerWaalsContact CB-O 3.3Å; C572-D629 WeakPolarHBondContact CB-O 3.08Å; C572-D629 PolarHBondContact N-O 3.47Å; K597-D629 VanDerWaalsContact CE-CG 3.47Å; K597-D629 WeakPolarHBondContact CE-OD2 3.37Å; K597-D629 IonicContact NZ-OD2 2.82Å; K597-D629 PolarHBondContact NZ-OD2 3.23Å; N598-D629 PolarHBondContact ND2-OD1 3.12Å; N598-D629 VanDerWaalsContact OD1-CA 3.31Å; N598-D629 WeakPolarHBondContact OD1-CA 3.37Å; L625-D629 WeakPolarHBondContact CA-OD2 3.43Å; L625-D629 HydrophobicContact CB-CB 4.21Å; L625-D629 HydrophobicContact CD2-CB 4.12Å; N626-D629 PolarHBondContact N-OD2 3.27Å; N626-D629 WeakPolarHBondContact O-CB 3.34Å; N626-D629 PolarHBondContact O-N 3.43Å; A627-D629 PolarHBondContact O-N 3.17Å
630Q98.8Very high97.2Very high82 Ų8253.8 Ų53.838%0.38328%0.283SS..EExtended strand (participates in β ladder)trans-107.6136.5-179.7-68.4-174.8-29.500110.9I569 F570 K597 N598 H628I569-Q630 HydrophobicContact CG2-CB 3.83Å; I569-Q630 HydrophobicContact CG2-CG 3.97Å; F570-Q630 CarbonylContact O-C 3.53Å; F570-Q630 VanDerWaalsContact O-CA 3.26Å; F570-Q630 WeakPolarHBondContact O-CA 3.39Å; K597-Q630 CarbonylContact C-O 3.48Å; K597-Q630 WeakPolarHBondContact CA-O 3.32Å; N598-Q630 PolarHBondContact N-O 3.47Å; N598-Q630 PolarHBondContact OD1-N 3.47Å; H628-Q630 PolarHBondContact O-N 3.33Å
631V98.9Very high97.1Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-132.7133.1179-175.10000110.1F570 F580 L595 Y596 L623 L625 F653F570-V631 HydrophobicContact CB-CB 4.48Å; F570-V631 WeakPolarHBondContact CB-O 3.42Å; F570-V631 HydrophobicContact CD1-CB 4.27Å; F570-V631 HydrophobicContact CD1-CG2 4.44Å; F570-V631 PolarHBondContact N-O 3.44Å; F570-V631 PolarHBondContact O-N 3.17Å; F580-V631 HydrophobicContact CD1-CG1 3.95Å; F580-V631 HydrophobicContact CD2-CG1 4.33Å; F580-V631 HydrophobicContact CE1-CB 3.93Å; F580-V631 HydrophobicContact CE1-CG1 3.74Å; F580-V631 HydrophobicContact CE1-CG2 4.41Å; F580-V631 HydrophobicContact CE2-CB 4.43Å; F580-V631 HydrophobicContact CE2-CG1 4.16Å; F580-V631 HydrophobicContact CE2-CG2 4.09Å; F580-V631 HydrophobicContact CG-CG1 4.24Å; F580-V631 HydrophobicContact CZ-CB 3.84Å; F580-V631 HydrophobicContact CZ-CG1 3.87Å; F580-V631 HydrophobicContact CZ-CG2 3.8Å; L595-V631 HydrophobicContact CD1-CG1 3.67Å; L595-V631 HydrophobicContact CG-CG1 4.18Å; Y596-V631 VanDerWaalsContact O-CA 3.3Å; Y596-V631 WeakPolarHBondContact O-CA 3.34Å; Y596-V631 WeakPolarHBondContact O-CG1 3.29Å; L623-V631 HydrophobicContact CD1-CG1 4.42Å; L623-V631 HydrophobicContact CD1-CG2 4.39Å; L625-V631 HydrophobicContact CD1-CG2 3.9Å; L625-V631 HydrophobicContact CD2-CG2 3.9Å; V631-F653 HydrophobicContact CG1-CZ 4.27Å
632Y98.9Very high97.1Very high24 Ų2450 Ų509%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-156.6163.8-179.658.1-91.1000111.9P549 G568 I569 Y596 G599 Q634P549-Y632 HydrophobicContact CB-CD2 3.7Å; P549-Y632 HydrophobicContact CB-CE2 4.31Å; P549-Y632 HydrophobicContact CB-CG 4.01Å; P549-Y632 HydrophobicContact CG-CD2 3.66Å; P549-Y632 HydrophobicContact CG-CE2 3.78Å; P549-Y632 HydrophobicContact CG-CG 4.04Å; G568-Y632 WeakPolarHBondContact O-CB 3.22Å; I569-Y632 HydrophobicContact CG1-CD1 4.16Å; I569-Y632 HydrophobicContact CG1-CG 4.32Å; I569-Y632 HydrophobicContact CG2-CD1 4.47Å; Y596-Y632 VanDerWaalsContact CB-CE2 3.46Å; Y596-Y632 VanDerWaalsContact CB-CZ 3.42Å; Y596-Y632 HydrophobicContact CD1-CE2 4.22Å; Y596-Y632 HydrophobicContact CD2-CD2 4.31Å; Y596-Y632 AromaticContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CG-CD2 4.3Å; Y596-Y632 AromaticContact CG-CE2 3.59Å; Y596-Y632 HydrophobicContact CG-CE2 3.59Å; Y596-Y632 AromaticContact CG-CZ 3.8Å; Y596-Y632 PolarHBondContact N-O 3.08Å; Y596-Y632 PolarHBondContact O-N 3.43Å; G599-Y632 WeakPolarHBondContact CA-OH 3.32Å; Y632-Q634 HydrophobicContact CD2-CB 4.17Å; Y632-Q634 HydrophobicContact CE2-CB 4.05Å
633I98.8Very high97Very high1 Ų146.7 Ų46.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-98.7140.9169.9-58.8-69.3000109P549 V550 F552 Y582 M584 V593 A594 L595 F653P549-I633 CarbonylContact C-O 3.49Å; P549-I633 WeakPolarHBondContact CA-O 3.48Å; V550-I633 PolarHBondContact N-O 3.4Å; F552-I633 HydrophobicContact CE2-CB 4.07Å; F552-I633 HydrophobicContact CE2-CG1 4.35Å; F552-I633 HydrophobicContact CZ-CB 4.34Å; Y582-I633 HydrophobicContact CD1-CD1 3.35Å; Y582-I633 HydrophobicContact CD1-CG1 4.4Å; Y582-I633 HydrophobicContact CD2-CD1 4.26Å; Y582-I633 HydrophobicContact CE1-CD1 3.68Å; Y582-I633 HydrophobicContact CG-CD1 3.65Å; Y582-I633 HydrophobicContact CG-CG1 4.37Å; M584-I633 HydrophobicContact CE-CB 4.47Å; M584-I633 HydrophobicContact CE-CG1 4.27Å; M584-I633 HydrophobicContact CE-CG2 3.86Å; V593-I633 HydrophobicContact CB-CG2 4.2Å; A594-I633 WeakPolarHBondContact O-CA 3.19Å; L595-I633 HydrophobicContact CB-CD1 3.98Å; L595-I633 HydrophobicContact CD1-CD1 3.49Å; L595-I633 VanDerWaalsContact CD1-CD1 3.49Å; L595-I633 HydrophobicContact CD1-CG1 4.31Å; L595-I633 HydrophobicContact CG-CD1 4.35Å; I633-F653 HydrophobicContact CD1-CD2 4.31Å; I633-F653 HydrophobicContact CD1-CE2 4.22Å; I633-F653 HydrophobicContact CG1-CB 4.48Å; I633-F653 HydrophobicContact CG1-CD1 4.1Å; I633-F653 HydrophobicContact CG1-CD2 3.83Å; I633-F653 HydrophobicContact CG1-CE1 4.26Å; I633-F653 HydrophobicContact CG1-CE2 4Å; I633-F653 HydrophobicContact CG1-CG 3.89Å; I633-F653 HydrophobicContact CG1-CZ 4.21Å
634Q98.4Very high97Very high21 Ų2147.9 Ų47.910%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-140.4145.9173.1163.1176.7-20.600110.2G547 S548 A594 Y596 Y632G547-Q634 PolarHBondContact O-NE2 2.92Å; S548-Q634 WeakPolarHBondContact O-CG 3.24Å; A594-Q634 PolarHBondContact N-O 3.47Å; A594-Q634 PolarHBondContact O-N 3.4Å; Y596-Q634 HydrophobicContact CD2-CB 3.86Å; Y596-Q634 HydrophobicContact CE2-CB 3.63Å; Y596-Q634 HydrophobicContact CE2-CG 4.02Å; Y632-Q634 HydrophobicContact CD2-CB 4.17Å; Y632-Q634 HydrophobicContact CE2-CB 4.05Å
635V97.9Very high97Very high0 Ų043.5 Ų43.50%022%0.221CC..  trans-84.6118.8165.2179.60000107.6P544 A546 G547 V550 V593 D637 N641 V643P544-V635 HydrophobicContact CG-CG2 4.13Å; A546-V635 WeakPolarHBondContact CA-O 3.25Å; A546-V635 HydrophobicContact CB-CB 4.38Å; A546-V635 HydrophobicContact CB-CG1 4.14Å; G547-V635 PolarHBondContact N-O 3.44Å; V550-V635 HydrophobicContact CG2-CG2 4.34Å; V593-V635 HydrophobicContact CG1-CG2 4.3Å; V635-D637 WeakPolarHBondContact CG1-O 3.34Å; V635-N641 HydrophobicContact CG1-CB 3.92Å; V635-V643 HydrophobicContact CG2-CG2 3.94Å
636P94.9Very high96.7Very high37 Ų3744.6 Ų44.624%0.2423%0.23CC..  trans-66.1-39.6-173.3-25.637.1000114.6L592 A594 F604L592-P636 HydrophobicContact CD2-CB 4.34Å; L592-P636 HydrophobicContact CD2-CG 3.93Å; L592-P636 HydrophobicContact CG-CG 4.03Å; L592-P636 WeakPolarHBondContact O-CD 3.22Å; A594-P636 HydrophobicContact CB-CG 4.23Å; F604-P636 HydrophobicContact CE1-CG 4.48Å
637D93.7Very high96.3Very high57 Ų5746.5 Ų46.531%0.30524%0.24SC..  trans-144.2158.1-175.462.482.4000112.4A546 V635 E639 T640A546-D637 VanDerWaalsContact CB-C 3.48Å; V635-D637 WeakPolarHBondContact CG1-O 3.34Å; D637-E639 VanDerWaalsContact C-N 3.34Å; D637-E639 WeakPolarHBondContact OD1-CB 3.17Å; D637-E639 PolarHBondContact OD1-N 3.45Å; D637-E639 VanDerWaalsContact OD1-N 3.16Å; D637-T640 PolarHBondContact OD1-N 3.46Å; D637-T640 PolarHBondContact OD1-OG1 3.3Å; D637-T640 PolarHBondContact OD2-OG1 3.4Å; D637-T640 VanDerWaalsContact OD2-OG1 3.05Å
638E93.9Very high96.1Very high123 Ų12350.9 Ų50.958%0.57526%0.258SS*.SBendtrans-73.8-22.5-179-73.1-64.6165.400113.4A546 T640 N641A546-E638 HydrophobicContact CB-CB 4.49Å; A546-E638 HydrophobicContact CB-CG 3.8Å; A546-E638 WeakPolarHBondContact CB-OE1 3.18Å; A546-E638 PolarHBondContact N-OE1 3.44Å; A546-E638 VanDerWaalsContact N-OE1 3.09Å; E638-T640 PolarHBondContact O-N 3.43Å; E638-N641 PolarHBondContact O-N 3.17Å; E638-N641 PolarHBondContact OE2-ND2 3.05Å
639E93.8Very high96Very high178 Ų17845.5 Ų45.583%0.83223%0.234SC*.THydrogen-bonded Turntrans-68.9-29.3-179-63.5-175.8177.300111.5D637D637-E639 VanDerWaalsContact C-N 3.34Å; D637-E639 WeakPolarHBondContact OD1-CB 3.17Å; D637-E639 PolarHBondContact OD1-N 3.45Å; D637-E639 VanDerWaalsContact OD1-N 3.16Å
640T94.5Very high95.8Very high24 Ų2448.6 Ų48.615%0.14725%0.248CC..THydrogen-bonded Turntrans-112.431.7179.359.60000112.8N590 A591 L592 Y606 D637 E638 G642N590-T640 CarbonylContact O-C 3.56Å; N590-T640 VanDerWaalsContact O-CA 3.23Å; N590-T640 WeakPolarHBondContact O-CA 3.38Å; A591-T640 CarbonylContact C-O 3.55Å; A591-T640 VanDerWaalsContact CA-O 3.28Å; A591-T640 WeakPolarHBondContact CA-O 3.3Å; L592-T640 HydrophobicContact CB-CG2 4.37Å; L592-T640 VanDerWaalsContact CB-OG1 3.25Å; L592-T640 WeakPolarHBondContact CB-OG1 3.48Å; L592-T640 PolarHBondContact N-O 3.47Å; Y606-T640 HydrophobicContact CE2-CG2 4.4Å; D637-T640 PolarHBondContact OD1-N 3.46Å; D637-T640 PolarHBondContact OD1-OG1 3.3Å; D637-T640 PolarHBondContact OD2-OG1 3.4Å; D637-T640 VanDerWaalsContact OD2-OG1 3.05Å; E638-T640 PolarHBondContact O-N 3.43Å; T640-G642 VanDerWaalsContact C-N 3.27Å; T640-G642 PolarHBondContact O-N 3.32Å
641N96.6Very high95.7Very high10 Ų1044.7 Ų44.75%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-88.347.3178.2-166.96.3000113.2Y543 P544 V635 E638 V643Y543-N641 VanDerWaalsContact CD1-O 3.29Å; Y543-N641 WeakPolarHBondContact CD1-O 3.42Å; P544-N641 PolarHBondContact O-ND2 3.43Å; P544-N641 PolarHBondContact O-OD1 3.35Å; V635-N641 HydrophobicContact CG1-CB 3.92Å; E638-N641 PolarHBondContact O-N 3.17Å; E638-N641 PolarHBondContact OE2-ND2 3.05Å; N641-V643 PolarHBondContact O-N 3.43Å; N641-V643 VanDerWaalsContact O-N 3.12Å
642G97.3Very high95.7Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-72.78.6178.700000116.1V586 N587 A589 N590 T640 F644V586-G642 WeakPolarHBondContact CA-O 3.39Å; N587-G642 PolarHBondContact N-O 3.18Å; A589-G642 WeakPolarHBondContact O-CA 3.48Å; N590-G642 VanDerWaalsContact O-CA 3.32Å; N590-G642 WeakPolarHBondContact O-CA 3.44Å; N590-G642 PolarHBondContact O-N 3.49Å; T640-G642 VanDerWaalsContact C-N 3.27Å; T640-G642 PolarHBondContact O-N 3.32Å; G642-F644 PolarHBondContact O-N 3.19Å
643V97.9Very high95.7Very high2 Ų244.6 Ų44.61%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-72113.4-173.3177.70000110.2Y543 P544 M584 A591 V593 V635 N641Y543-V643 PolarHBondContact N-O 3.22Å; P544-V643 HydrophobicContact CG-CB 4.34Å; P544-V643 HydrophobicContact CG-CG1 4.3Å; M584-V643 HydrophobicContact CB-CG1 4.34Å; M584-V643 HydrophobicContact SD-CG1 4.45Å; A591-V643 HydrophobicContact CB-CG2 4.39Å; V593-V643 HydrophobicContact CG1-CG2 3.58Å; V635-V643 HydrophobicContact CG2-CG2 3.94Å; N641-V643 PolarHBondContact O-N 3.43Å; N641-V643 VanDerWaalsContact O-N 3.12Å
644F97.8Very high95.7Very high48 Ų4846 Ų4621%0.21124%0.242CC..EExtended strand (participates in β ladder)trans-110.5128.8-175.6-179.2-97.5000111.7A542 Y543 H585 N587 L614 G642 A646 V649 C651A542-F644 HydrophobicContact CB-CD2 3.74Å; A542-F644 HydrophobicContact CB-CE2 4.2Å; A542-F644 HydrophobicContact CB-CG 4.41Å; Y543-F644 HydrophobicContact CE2-CD2 4.41Å; H585-F644 WeakPolarHBondContact CB-O 3.24Å; H585-F644 PolarHBondContact O-N 3.45Å; N587-F644 HydrophobicContact CB-CB 3.56Å; N587-F644 HydrophobicContact CB-CD1 4.27Å; N587-F644 HydrophobicContact CB-CD2 4.04Å; N587-F644 HydrophobicContact CB-CG 3.69Å; L614-F644 HydrophobicContact CD1-CD1 3.95Å; G642-F644 PolarHBondContact O-N 3.19Å; F644-A646 HydrophobicContact CE1-CB 4.37Å; F644-A646 HydrophobicContact CZ-CB 4.36Å; F644-V649 HydrophobicContact CD1-CG1 4.07Å; F644-V649 HydrophobicContact CE1-CB 4.26Å; F644-V649 HydrophobicContact CE1-CG1 4.22Å; F644-V649 HydrophobicContact CE1-CG2 4.4Å; F644-C651 PolarHBondContact O-SG 3.2Å
645A96.8Very high95.7Very high5 Ų545 Ų454%0.04124%0.238CC..  trans-139.9149.3175.200000110.8L539 T540 A542 V649 C651L539-A645 HydrophobicContact CD2-CB 4.31Å; L539-A645 HydrophobicContact CG-CB 4.17Å; L539-A645 WeakPolarHBondContact O-CB 3.39Å; T540-A645 CarbonylContact O-C 3.53Å; A542-A645 WeakPolarHBondContact CB-O 3.49Å; A542-A645 PolarHBondContact N-O 3.36Å; A542-A645 VanDerWaalsContact N-O 3.12Å; A645-V649 WeakPolarHBondContact CA-O 3.45Å; A645-C651 HydrophobicContact CB-CB 4.22Å
646A93.6Very high95.8Very high24 Ų2449.6 Ų49.620%0.19826%0.258CS..BIsolated β-bridgetrans-153.2173.7177.900000110.2T540 F644 N648 V649T540-A646 WeakPolarHBondContact O-CA 3.43Å; T540-A646 PolarHBondContact O-N 2.88Å; F644-A646 HydrophobicContact CE1-CB 4.37Å; F644-A646 HydrophobicContact CZ-CB 4.36Å; A646-N648 PolarHBondContact O-N 3.43Å; A646-V649 HydrophobicContact CB-CB 4.29Å; A646-V649 PolarHBondContact N-O 3.29Å; A646-V649 CarbonylContact O-C 3.53Å; A646-V649 PolarHBondContact O-N 3.37Å; A646-V649 VanDerWaalsContact O-N 3.11Å
647D89.6Confident95.9Very high142 Ų14249 Ų4976%0.75925%0.253SS*.THydrogen-bonded Turntrans-57.3-24.3178.4-67.3-23.6000113.9H650D647-H650 PolarHBondContact O-CE1 3.45Å
648N91.5Very high96.1Very high137 Ų13750.3 Ų50.373%0.73326%0.259SS*.THydrogen-bonded Turntrans-115.52.7179.567-31.7000114A646A646-N648 PolarHBondContact O-N 3.43Å
649V94.1Very high96.1Very high24 Ų2446.9 Ų46.915%0.14525%0.252CS..BIsolated β-bridgetrans-135.8103.6-178.7-179.70000107.7H585 L614 F644 A645 A646H585-V649 HydrophobicContact CB-CG1 3.86Å; H585-V649 WeakPolarHBondContact CD2-CG1 3.35Å; H585-V649 VanDerWaalsContact CG-CG1 3.45Å; L614-V649 HydrophobicContact CD2-CG1 4.34Å; F644-V649 HydrophobicContact CD1-CG1 4.07Å; F644-V649 HydrophobicContact CE1-CB 4.26Å; F644-V649 HydrophobicContact CE1-CG1 4.22Å; F644-V649 HydrophobicContact CE1-CG2 4.4Å; A645-V649 WeakPolarHBondContact CA-O 3.45Å; A646-V649 HydrophobicContact CB-CB 4.29Å; A646-V649 PolarHBondContact N-O 3.29Å; A646-V649 CarbonylContact O-C 3.53Å; A646-V649 PolarHBondContact O-N 3.37Å; A646-V649 VanDerWaalsContact O-N 3.11Å
650H93.6Very high96.1Very high82 Ų8241.4 Ų41.438%0.3823%0.233SC..  trans-101.9123.1-165.2-65.5-38.5000112.2V538 H585 D647V538-H650 HydrophobicContact CG1-CB 3.71Å; H585-H650 PolarHBondContact CD2-O 3.21Å; H585-H650 PolarHBondContact NE2-O 3.46Å; D647-H650 PolarHBondContact O-CE1 3.45Å
651C98.3Very high95.6Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-89.7128.2162.9-73.70000108.7V538 L539 F552 H583 M584 H585 F644 A645V538-C651 CarbonylContact C-O 3.44Å; V538-C651 VanDerWaalsContact CA-O 3.28Å; V538-C651 WeakPolarHBondContact CA-O 3.27Å; V538-C651 WeakPolarHBondContact CG1-O 3.35Å; L539-C651 HydrophobicContact CB-CB 4.09Å; L539-C651 HydrophobicContact CD2-CB 4.41Å; L539-C651 PolarHBondContact N-O 3.12Å; F552-C651 HydrophobicContact CE1-CB 4.38Å; H583-C651 CarbonylContact O-C 3.59Å; H583-C651 VanDerWaalsContact O-CA 3.24Å; H583-C651 WeakPolarHBondContact O-CA 3.45Å; M584-C651 VanDerWaalsContact CA-SG 3.58Å; M584-C651 HydrophobicContact SD-CB 3.67Å; H585-C651 PolarHBondContact N-SG 3.33Å; F644-C651 PolarHBondContact O-SG 3.2Å; A645-C651 HydrophobicContact CB-CB 4.22Å
652S98.5Very high95.5Very high21 Ų2148.9 Ų48.915%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-125.6151.1-173.962.50000112.9A537 Y582 H583A537-S652 VanDerWaalsContact O-CA 3.31Å; A537-S652 WeakPolarHBondContact O-CA 3.42Å; Y582-S652 CarbonylContact C-O 3.57Å; Y582-S652 WeakPolarHBondContact CA-O 3.23Å; Y582-S652 WeakPolarHBondContact CB-O 3.41Å; H583-S652 PolarHBondContact CD2-OG 3.42Å; H583-S652 PolarHBondContact N-O 3.47Å; H583-S652 PolarHBondContact O-N 3.23Å
653F98.8Very high95.4Very high0 Ų051.5 Ų51.50%029%0.293CS..EExtended strand (participates in β ladder)trans-137.2128.9171.4179-141.5000109.2F535 A537 F552 Y563 F580 S581 L595 V631 I633F535-F653 AromaticContact CE2-CD1 3.63Å; F535-F653 HydrophobicContact CE2-CD1 3.63Å; F535-F653 AromaticContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CG 4.04Å; F535-F653 HydrophobicContact CE2-CZ 4.43Å; F535-F653 AromaticContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD2 4.41Å; F535-F653 AromaticContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE2 4.19Å; F535-F653 HydrophobicContact CZ-CG 4.23Å; F535-F653 AromaticContact CZ-CZ 3.74Å; F535-F653 HydrophobicContact CZ-CZ 3.74Å; A537-F653 PolarHBondContact N-O 3.43Å; A537-F653 PolarHBondContact O-N 2.82Å; F552-F653 HydrophobicContact CD1-CB 4.01Å; F552-F653 HydrophobicContact CD2-CB 3.78Å; F552-F653 HydrophobicContact CD2-CD1 4.15Å; F552-F653 HydrophobicContact CD2-CG 4.44Å; F552-F653 HydrophobicContact CE1-CB 3.93Å; F552-F653 HydrophobicContact CE2-CB 3.69Å; F552-F653 HydrophobicContact CE2-CD1 4.16Å; F552-F653 HydrophobicContact CE2-CG 4.26Å; F552-F653 HydrophobicContact CG-CB 3.97Å; F552-F653 HydrophobicContact CZ-CB 3.8Å; Y563-F653 HydrophobicContact CE2-CD1 4.2Å; Y563-F653 HydrophobicContact CE2-CE1 4.42Å; F580-F653 HydrophobicContact CB-CE2 4.3Å; F580-F653 AromaticContact CD1-CE2 3.86Å; F580-F653 HydrophobicContact CD1-CE2 3.86Å; F580-F653 AromaticContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CE1-CZ 4.34Å; S581-F653 WeakPolarHBondContact O-CD2 3.31Å; L595-F653 HydrophobicContact CD1-CE2 3.8Å; L595-F653 HydrophobicContact CD1-CZ 3.83Å; V631-F653 HydrophobicContact CG1-CZ 4.27Å; I633-F653 HydrophobicContact CD1-CD2 4.31Å; I633-F653 HydrophobicContact CD1-CE2 4.22Å; I633-F653 HydrophobicContact CG1-CB 4.48Å; I633-F653 HydrophobicContact CG1-CD1 4.1Å; I633-F653 HydrophobicContact CG1-CD2 3.83Å; I633-F653 HydrophobicContact CG1-CE1 4.26Å; I633-F653 HydrophobicContact CG1-CE2 4Å; I633-F653 HydrophobicContact CG1-CG 3.89Å; I633-F653 HydrophobicContact CG1-CZ 4.21Å
654S98.9Very high95.3Very high30 Ų3054.2 Ų54.221%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-136.8151-176.3-54.40000110.7F535 S536 F580 S581F535-S654 VanDerWaalsContact O-CA 3.3Å; F535-S654 WeakPolarHBondContact O-CA 3.23Å; S536-S654 WeakPolarHBondContact CB-OG 3.47Å; S536-S654 PolarHBondContact OG-OG 2.94Å; F580-S654 WeakPolarHBondContact CA-O 3.12Å; S581-S654 PolarHBondContact N-O 3.37Å; S581-S654 PolarHBondContact O-N 3.4Å; S581-S654 VanDerWaalsContact O-O 3.12Å
655G98.7Very high95.1Very high1 Ų154.6 Ų54.61%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-157.8150.1170.800000112.4A534 F535 Y579A534-G655 CarbonylContact C-O 3.46Å; A534-G655 VanDerWaalsContact CA-O 3.22Å; A534-G655 WeakPolarHBondContact CA-O 3.46Å; F535-G655 PolarHBondContact N-O 2.81Å; F535-G655 PolarHBondContact O-N 3.38Å; Y579-G655 CarbonylContact O-C 3.56Å; Y579-G655 WeakPolarHBondContact O-CA 3.45Å
656F98.6Very high95Very high97 Ų9757.7 Ų57.743%0.42533%0.331SS..EExtended strand (participates in β ladder)trans-151.1151178.364.5-93.6000112.9S533 A534 Y578 Y579 I658S533-F656 CarbonylContact O-C 3.51Å; S533-F656 VanDerWaalsContact O-CA 3.3Å; S533-F656 WeakPolarHBondContact O-CA 3.3Å; A534-F656 HydrophobicContact CB-CB 3.62Å; Y578-F656 CarbonylContact C-O 3.38Å; Y578-F656 VanDerWaalsContact CA-O 3.31Å; Y578-F656 WeakPolarHBondContact CA-O 3.3Å; Y578-F656 VanDerWaalsContact CD1-C 3.49Å; Y579-F656 HydrophobicContact CD1-CD1 4.12Å; Y579-F656 AromaticContact CD1-CE1 3.35Å; Y579-F656 HydrophobicContact CD1-CE1 3.35Å; Y579-F656 AromaticContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CE1-CE1 4.19Å; Y579-F656 HydrophobicContact CG-CE1 4.02Å; Y579-F656 HydrophobicContact CG-CZ 4.03Å; Y579-F656 PolarHBondContact N-O 3.45Å; Y579-F656 PolarHBondContact O-N 3.42Å; F656-I658 HydrophobicContact CD2-CG1 4.37Å; F656-I658 HydrophobicContact CE2-CG1 3.91Å; F656-I658 PolarHBondContact O-N 3.42Å
657L98.3Very high95.1Very high25 Ų2559.9 Ų59.913%0.13134%0.34CS..EExtended strand (participates in β ladder)trans-70.6122.2172.7178.868.2000110.2P531 S533 V574 Y578 A659P531-L657 HydrophobicContact CB-CD2 4.45Å; P531-L657 WeakPolarHBondContact O-CD2 3.49Å; S533-L657 PolarHBondContact O-N 3.23Å; V574-L657 HydrophobicContact CB-CD2 4.23Å; V574-L657 HydrophobicContact CG1-CD2 3.73Å; Y578-L657 HydrophobicContact CD1-CB 4.16Å; Y578-L657 HydrophobicContact CD2-CD1 4.03Å; Y578-L657 HydrophobicContact CE1-CB 3.69Å; Y578-L657 HydrophobicContact CE1-CD1 4.25Å; Y578-L657 HydrophobicContact CE2-CD1 3.57Å; L657-A659 WeakPolarHBondContact CD1-O 3.28Å
658I97.2Very high95.5Very high84 Ų8454.1 Ų54.143%0.43131%0.31SS..EExtended strand (participates in β ladder)trans-83.8-48.4172.1-60.5161.1000110L577 V622 F656L577-I658 HydrophobicContact CD2-CD1 4.27Å; L577-I658 HydrophobicContact CG-CD1 4.28Å; L577-I658 WeakPolarHBondContact O-CA 3.22Å; L577-I658 WeakPolarHBondContact O-CB 3.39Å; L577-I658 PolarHBondContact O-N 3.44Å; V622-I658 HydrophobicContact CG1-CD1 3.98Å; V622-I658 HydrophobicContact CG2-CD1 4.14Å; F656-I658 HydrophobicContact CD2-CG1 4.37Å; F656-I658 HydrophobicContact CE2-CG1 3.91Å; F656-I658 PolarHBondContact O-N 3.42Å
659A94.6Very high95.8Very high51 Ų5147.7 Ų47.742%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-153.1127.8-176.600000110.7G576 L577 L657G576-A659 CarbonylContact C-O 3.52Å; G576-A659 VanDerWaalsContact CA-O 3.24Å; G576-A659 WeakPolarHBondContact CA-O 3.43Å; L577-A659 PolarHBondContact N-O 3.41Å; L577-A659 PolarHBondContact O-N 3.28Å; L657-A659 WeakPolarHBondContact CD1-O 3.28Å
660S92.3Very high96Very high63 Ų6349.7 Ų49.744%0.44129%0.289SS..EExtended strand (participates in β ladder)trans-75.7144.9172.555.70000111.3P575P575-S660 WeakPolarHBondContact O-CA 3.45Å
661T84.3Confident96.2Very high142 Ų14246.7 Ų46.787%0.87128%0.281SS*.  trans-103.30177.250.40000113.6P575 M624P575-T661 PolarHBondContact O-N 3.16Å; P575-T661 VanDerWaalsContact O-N 3.1Å; P575-T661 PolarHBondContact O-OG1 2.87Å; M624-T661 HydrophobicContact CE-CG2 4.07Å; M624-T661 HydrophobicContact SD-CG2 3.82Å

Retrieved 661 of 661 residues in 168.7 ms (Link to these results)