A0A061IAJ1_CRIGR Loading...

Protein phosphatase 1 regulatory subunit 3G isoform X2

AlphaFold DB , UniProt , Accession A0A061IAJ1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ppp1r3g, Length 347 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
1M40.8Very low38.7Very low244 Ų244155.3 Ų155.3100%1.20281%0.811SS**  0112.10-88.2175160.900106.8
2E37.3Very low38.3Very low196 Ų196158.8 Ų158.892%0.91682%0.82SS**  trans-146.6146.8154.5-76.8-146.110100107.3
3P53.4Low38.3Very low113 Ų113153.5 Ų153.573%0.73481%0.814SS**  trans-101.7159.9-17238.5-34.6000114.7
4S39.3Very low38.7Very low111 Ų111151.9 Ų151.978%0.77682%0.817SS**  trans0.9153.1138.3-57.60000120
5R37.8Very low38.3Very low202 Ų202149.2 Ų149.276%0.76281%0.814SS**  cis150.3125.4-6.3166.9-164.4-175-1664.4106.4
6E39.9Very low38.1Very low188 Ų188147.6 Ų147.688%0.87982%0.817SS**  trans-136138.6162.6-57-174.712800106.1
7Q38.9Very low38.1Very low144 Ų144146.7 Ų146.767%0.67382%0.817SS**  cis67.213238-62.5-163.6-96.700113.1
8L35.8Very low38.5Very low125 Ų125145.6 Ų145.665%0.65482%0.818SS**  cis-150.5-179.8-15.8-89.2170000106
9Q33.7Very low38.3Very low159 Ų159143.8 Ų143.874%0.74382%0.815SS**  cis-145169.96.9-117.9125.8-36.600106.2
10S34.7Very low38Very low100 Ų100140.3 Ų140.370%0.69981%0.812SS**  cis83.685.620.7-43.10000116.6
11S34.3Very low38Very low126 Ų126140.9 Ų140.988%0.88181%0.813SS**  trans-147.1156.4166.9-76.20000111.9
12E34.3Very low38.2Very low197 Ų197134.8 Ų134.892%0.92179%0.791SS**  trans-104.5173.8-164.6-71.7167.254.100115.7
13A37.2Very low38.6Very low90 Ų90131.3 Ų131.374%0.74479%0.786SS**  trans-82.6177.2172.600000112.5
14P44.4Very low38Very low132 Ų132131.9 Ų131.986%0.85779%0.789SS**  -140.7174.6110.138.7-26.9000114.9
15S33.5Very low37.7Very low111 Ų111131.6 Ų131.678%0.77679%0.794SS**  trans-93.7160.3-175.653.60000114.5
16S33.9Very low37.4Very low123 Ų123131.3 Ų131.386%0.8680%0.801SS**  trans-168.5144.3143.8-81.60000111.9
17T38.3Very low36.9Very low133 Ų133126 Ų12682%0.81680%0.797SS**  trans-93.6173.5164.346.20000110.6
18P46.1Very low36.4Very low127 Ų127127.2 Ų127.283%0.82581%0.807SS**  -137168.2113.438.2-28.9000114.4
19S34.3Very low36Very low111 Ų111127 Ų12778%0.77682%0.816SS**  trans-94.5168173.2-167.30000111.8
20G31.9Very low36.1Very low73 Ų73125.4 Ų125.475%0.75382%0.817SS**  trans-171.4102.2171.300000113.9
21D37.7Very low36Very low154 Ų154126.4 Ų126.482%0.82482%0.821SS**PPolyproline II helixtrans-85.9148.4173.7-64.1-66.2000112.8
22P45.1Very low35.8Very low115 Ų115129 Ų12975%0.74782%0.819SS**PPolyproline II helixtrans-100.3154158.235.5-29.1000113
23P46.7Very low35.5Very low123 Ų123123.1 Ų123.180%0.79981%0.811SS**PPolyproline II helixtrans-81.7171.7-173.134.6-37.6000114.6
24P39.4Very low35Very low125 Ų125127.2 Ų127.281%0.81282%0.82SS**PPolyproline II helixtrans-84.2162-160.634.1-37.7000115.3
25A33.5Very low34.3Very low105 Ų105126.7 Ų126.787%0.86882%0.818SS**PPolyproline II helixtrans-93128.4169.500000111.6
26E32.5Very low34Very low197 Ų197129 Ų12992%0.92182%0.82SS**PPolyproline II helixtrans-92.5171.3166.1-61.1-172.7110.700110.9
27G28.6Very low33.7Very low76 Ų76131.7 Ų131.778%0.78482%0.82SS**  trans106.675.2154.200000116.9
28L28.4Very low33.1Very low170 Ų170129.1 Ų129.189%0.8982%0.82SS**  trans-32.4143.4154.5-63.1156.9000114.5
29S28.6Very low32.1Very low120 Ų120126.7 Ų126.784%0.83982%0.818SS**  -169.8135.5117.5-81.80000113.3
30V34.9Very low31.9Very low126 Ų126128.4 Ų128.476%0.76482%0.823SS**  trans-120.6147.2168.1169.60000107.2E32V30-E32 HydrophobicContact CG1-CG 4.49Å
31P33.6Very low31.7Very low120 Ų120131.8 Ų131.878%0.77983%0.83SS**  trans-122.6120138.834-25.4000108.4
32E29.4Very low31.2Very low181 Ų181132.6 Ų132.685%0.84683%0.829SS**  47.2116.465.5-69-148115.800112.7V30V30-E32 HydrophobicContact CG1-CG 4.49Å
33G27.3Very low30.4Very low74 Ų74132.3 Ų132.376%0.76383%0.825SS**  trans-92.4172.8-175.700000113.4
34L28Very low30.1Very low176 Ų176131.9 Ų131.992%0.92182%0.822SS**  trans-126.1118.5170.2-68.9174000110
35C27.9Very low29.8Very low121 Ų121132.3 Ų132.382%0.81882%0.816SS**  trans-77.8141.3153.4-600000108.5
36L28.9Very low29.9Very low158 Ų158133.4 Ų133.483%0.82781%0.814SS**  171146.1128-94.2166.5000112
37Q27.2Very low29.8Very low181 Ų181130.8 Ų130.885%0.84681%0.807SS**  trans63145169.1-62.61734.200116
38G26.3Very low29.8Very low79 Ų79131.4 Ų131.481%0.81480%0.804SS**  cis110.479.44.900000111.3
39G25.2Very low29.8Very low76 Ų76132.8 Ų132.878%0.78481%0.806SS**  trans-148.6100.9-177.500000112.2
40T28.4Very low29.8Very low146 Ų146135.2 Ų135.290%0.89681%0.809SS**  trans-84.3129.5167.748.20000110.4
41T29Very low29.5Very low145 Ų145139 Ų13989%0.8982%0.818SS**  trans-135.6145.1167.2-47.10000109.4
42Q27.1Very low29.2Very low171 Ų171137.1 Ų137.180%0.79982%0.82SS**  trans-144.4162.4-165.6-150.2-173.61600111.1
43T28.4Very low29.3Very low109 Ų109139.3 Ų139.367%0.66982%0.821SS**  trans61.6167.9167.165.50000117.5
44P38.8Very low29.9Very low113 Ų113141 Ų14173%0.73482%0.818SS**  cis-108.8158.7-10.612.112.8000113
45I33.3Very low29.9Very low134 Ų134138.9 Ų138.969%0.68781%0.807SS**  69.1119.457.8-64.8174.4000111.1
46P37.2Very low29.9Very low128 Ų128136.8 Ų136.883%0.83179%0.794SS**  -144.6168.878.340.8-22.5000120
47D28.8Very low30Very low143 Ų143137.2 Ų137.277%0.76579%0.792SS**  trans-61161.9-168.9-72-98.6000123.2
48A29.3Very low30.1Very low88 Ų88136.2 Ų136.273%0.72779%0.785SS**  trans67.5124.8135.500000122.9
49Q28.6Very low30.3Very low200 Ų200138.9 Ų138.994%0.93578%0.776SS**  -147.8146.8108.8-109.8-179.715.900112.2
50L28.8Very low30.5Very low170 Ų170144 Ų14489%0.8978%0.779SS**  trans-125.9108.8-176.5-86.8170000111.4
51Q29.1Very low30.5Very low206 Ų206141.5 Ų141.596%0.96377%0.774SS**  trans-154.2137.3157.6-62.1-169.61.300108.1
52G26.3Very low30.4Very low80 Ų80139.5 Ų139.583%0.82577%0.772SS**  cis-168.8144.8-11.400000110.4
53R30.9Very low30.6Very low227 Ų227138.3 Ų138.386%0.85777%0.77SS**  trans-94.2160173.8-141.3-170.9177-1750.8108.9
54P40.4Very low30.9Very low109 Ų109139.2 Ų139.271%0.70878%0.778SS**  -154.915282.538.7-19.4000118.1
55L27.4Very low30.6Very low132 Ų132141.3 Ų141.369%0.69178%0.778SS**  trans58.7158.4141.1-62.7170.4000119.9
56S28.4Very low30.5Very low77 Ų77144 Ų14454%0.53879%0.788SS.*  cis-142.5145.821.5-122.40000112.2
57Q31.7Very low30.4Very low167 Ų167147 Ų14778%0.7879%0.791SS**  64140.2105.3-65.1171.5-16.900115.1
58K28Very low30.7Very low160 Ų160149.2 Ų149.270%0.69680%0.796SS**  cis-159-171.12-143.1-179.6158.2-149.20106.3
59E30.7Very low30.9Very low136 Ų136153.5 Ų153.564%0.63681%0.806SS**  cis-159.8119.70.3-168.3155.7-170.400106.4
60E30Very low31Very low182 Ų182153.2 Ų153.285%0.8581%0.805SS**  56.2103.194.7-159.7179.6145.900118.1
61A28Very low31.3Very low95 Ų95151.9 Ų151.979%0.78579%0.794SS**  trans-170.7113.8151.600000107.6
62A28.2Very low31.4Very low102 Ų102153.6 Ų153.684%0.84379%0.793SS**  79.5114.476.700000114.2
63L30.7Very low32Very low146 Ų146159.8 Ų159.876%0.76479%0.792SS**  trans-82.1166.3174.1-64.5169.7000111.3
64P34.5Very low32.7Very low128 Ų128160.4 Ų160.483%0.83179%0.794SS**  -138.6152.392.738.2-26.8000115.3
65E32.3Very low32.7Very low157 Ų157161.2 Ų161.273%0.73480%0.799SS**  trans-91.6120.3164.9-62.41668400110.5
66Q31.8Very low33.5Very low191 Ų191167.1 Ų167.189%0.89381%0.813SS**  trans-174.9172.4152.2-109148.883.100112.6
67E35.2Very low34Very low192 Ų192168.1 Ų168.190%0.89783%0.825SS**SBendtrans72.255.7170-55.8-161.9101.400120.2
68E33.8Very low34.8Very low189 Ų189170.8 Ų170.888%0.88383%0.828SS**SBendtrans-150.329.2148.7-137.1-171.3136.100117.3
69L34.8Very low35.3Very low178 Ų178168.9 Ų168.993%0.93284%0.835SS**SBendtrans-13745.2177.7-77.2179.8000115.2
70Q31.1Very low36.1Very low194 Ų194170.7 Ų170.791%0.90784%0.841SS**  trans-144.271.6171-73.6-162.264.600115.1
71E34.2Very low37.4Very low141 Ų141167.7 Ų167.766%0.65984%0.84SS**  trans-164.5112.4134.2-117.8-175.5170.700114R73E71-R73 IonicContact OE1-CZ 3.97Å; E71-R73 IonicContact OE1-NH2 3.21Å; E71-R73 PolarHBondContact OE1-NH2 3.01Å
72Y31.5Very low38.5Very low243 Ų243169.9 Ų169.995%0.95384%0.838SS**  trans-164.9134.8135.7-93.4-62.3000108.5
73R38.2Very low39.8Very low210 Ų210168.4 Ų168.479%0.79282%0.82SS**PPolyproline II helixtrans-93.4144-165.3-67.1-179.5-172.6149.113.2113.8E71E71-R73 IonicContact OE1-CZ 3.97Å; E71-R73 IonicContact OE1-NH2 3.21Å; E71-R73 PolarHBondContact OE1-NH2 3.01Å
74R45.6Very low41.1Very low240 Ų240167 Ų16791%0.90683%0.829SS**PPolyproline II helixtrans-62.1147.9175.8-59.3172.3177.7159.9-3113.3
75P40.6Very low42.4Very low126 Ų126164.4 Ų164.482%0.81881%0.808SS**PPolyproline II helixtrans-91.5155.9136.8-15.732.4000112.1
76R43.8Very low43.7Very low256 Ų256160.1 Ų160.197%0.96679%0.794SS**PPolyproline II helixtrans-85.1125.6175.2-84.6174161.9157.5-7.1111.5
77A40.1Very low45.4Very low98 Ų98157.4 Ų157.481%0.8178%0.784SS**  trans-113.8150.4154.300000109.4S79A77-S79 PolarHBondContact O-N 3.45Å
78R47.3Very low46.7Very low223 Ų223152.6 Ų152.684%0.84276%0.764SS**  trans-83.2110.3176.9-71-176.1-179.51780.1109.9F80R78-F80 HydrophobicContact CB-CE2 4.44Å; R78-F80 PolarHBondContact O-N 2.89Å
79S39.2Very low48.1Very low120 Ų120149.4 Ų149.484%0.83975%0.749SS**  trans-71.5109.2167.339.70000110.4A77A77-S79 PolarHBondContact O-N 3.45Å
80F48.5Very low49.5Very low173 Ų173143.3 Ų143.376%0.75973%0.725SS**  trans-85.8114.6159.3-74.7-88.2000107.8R78 L82R78-F80 HydrophobicContact CB-CE2 4.44Å; R78-F80 PolarHBondContact O-N 2.89Å; F80-L82 PolarHBondContact O-N 3.16Å
81S56.3Low51.1Low119 Ų119136.4 Ų136.483%0.83270%0.701SS**PPolyproline II helixtrans-69.8122.4169.733.40000109.7
82L50.4Low52.7Low142 Ų142136.3 Ų136.374%0.74370%0.698SS**PPolyproline II helixtrans-73.8152.2169.4-63.7177.4000110F80F80-L82 PolarHBondContact O-N 3.16Å
83P56.8Low54.3Low70 Ų70129.7 Ų129.746%0.45568%0.679SS.*PPolyproline II helixtrans-57.9154168.8-22.133.9000111.6D85P83-D85 PolarHBondContact O-N 3.49Å; P83-D85 VanDerWaalsContact O-N 3.14Å
84A57.8Low55.6Low116 Ų116125 Ų12596%0.95967%0.669SS**SBendtrans-61.2-23.9-175.800000114.6
85D61.3Low56.7Low74 Ų74119.6 Ų119.640%0.39665%0.654SS.*  trans-144.891.6171.5-167.5-27.3000110.9P83 I87 L88P83-D85 PolarHBondContact O-N 3.49Å; P83-D85 VanDerWaalsContact O-N 3.14Å; D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 2.78Å; D85-I87 PolarHBondContact OD1-N 3.45Å; D85-I87 VanDerWaalsContact OD1-N 3.12Å; D85-L88 HydrophobicContact CB-CB 4.4Å; D85-L88 PolarHBondContact OD1-N 2.77Å
86P60.6Low57.7Low67 Ų67120.7 Ų120.744%0.43565%0.648SS.*Hα-helixtrans-74-21.5-179.230.2-33.7000112.5A90P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.1Å
87I66.2Low58.3Low134 Ų134117.3 Ų117.369%0.68764%0.636SS**Hα-helixtrans-76.6-48.4-175.7-57.4178.6000109.4D85 Q89 A90 A91D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 2.78Å; D85-I87 PolarHBondContact OD1-N 3.45Å; D85-I87 VanDerWaalsContact OD1-N 3.12Å; I87-Q89 PolarHBondContact O-N 3.11Å; I87-A90 PolarHBondContact O-N 3.1Å; I87-A91 WeakPolarHBondContact O-CB 3.36Å; I87-A91 PolarHBondContact O-N 3.26Å
88L61.8Low59.1Low92 Ų92119.7 Ų119.748%0.48263%0.63SS.*Hα-helixtrans-61.6-33.4175.3-112.6172.1000112.3D85 K92D85-L88 HydrophobicContact CB-CB 4.4Å; D85-L88 PolarHBondContact OD1-N 2.77Å; L88-K92 WeakPolarHBondContact O-CG 3.48Å; L88-K92 PolarHBondContact O-N 3.11Å
89Q64Low59.4Low121 Ų121116.5 Ų116.557%0.56563%0.629SS**Hα-helixtrans-72.8-38.4177.6-160.7170.411.100112.1I87 L93I87-Q89 PolarHBondContact O-N 3.11Å; Q89-L93 PolarHBondContact O-N 3.15Å
90A63.7Low60Low51 Ų51115 Ų11542%0.42162%0.623SS.*Hα-helixtrans-66.2-43.3172.500000112.3P86 I87 K92 L93 L94P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.1Å; I87-A90 PolarHBondContact O-N 3.1Å; A90-K92 PolarHBondContact O-N 3.25Å; A90-L93 PolarHBondContact O-N 2.93Å; A90-L93 VanDerWaalsContact O-N 3.17Å; A90-L94 PolarHBondContact O-N 2.76Å
91A66Low59.9Low49 Ų49109.3 Ų109.341%0.40561%0.614SS.*Hα-helixtrans-58.4-47.4178.300000112.2I87 L93 L94 Q95I87-A91 WeakPolarHBondContact O-CB 3.36Å; I87-A91 PolarHBondContact O-N 3.26Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 2.81Å; A91-L94 PolarHBondContact O-N 3.14Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.76Å
92K67Low59.2Low138 Ų138112.6 Ų112.660%0.662%0.616SS**Hα-helixtrans-59.6-38.4175.8-74.3172.7179.61740112.6L88 A90 Q96L88-K92 WeakPolarHBondContact O-CG 3.48Å; L88-K92 PolarHBondContact O-N 3.11Å; A90-K92 PolarHBondContact O-N 3.25Å; K92-Q96 WeakPolarHBondContact O-CB 3.41Å; K92-Q96 PolarHBondContact O-N 2.71Å
93L64.9Low58.9Low105 Ų105111.9 Ų111.955%0.5562%0.62SS.*Hα-helixtrans-71.1-35.8179.5-161151.7000111.9Q89 A90 A91 R97Q89-L93 PolarHBondContact O-N 3.15Å; A90-L93 PolarHBondContact O-N 2.93Å; A90-L93 VanDerWaalsContact O-N 3.17Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 2.81Å; L93-R97 WeakPolarHBondContact O-CG 3.32Å; L93-R97 PolarHBondContact O-N 2.82Å
94L66Low57.9Low111 Ų111112.2 Ų112.258%0.58164%0.636SS**Hα-helixtrans-67.3-46.9172.2-70.5170.2000112A90 A91 Q96 R97 Q98A90-L94 PolarHBondContact O-N 2.76Å; A91-L94 PolarHBondContact O-N 3.14Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.73Å; L94-R97 WeakPolarHBondContact O-CB 3.39Å; L94-R97 PolarHBondContact O-N 2.94Å; L94-Q98 PolarHBondContact O-N 3.33Å; L94-Q98 VanDerWaalsContact O-N 3.11Å
95Q67.9Low57.1Low127 Ų127111.3 Ų111.359%0.59363%0.629SS**Hα-helixtrans-61.7-40.8179.8-165.9174.721.300112.1A91 R97 Q98 L99A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.76Å; Q95-R97 PolarHBondContact O-N 2.84Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q95-L99 PolarHBondContact O-N 2.73Å
96Q61.8Low56Low149 Ų149117.2 Ų117.270%0.69665%0.654SS**Hα-helixtrans-64.6-23.4174.7-170.5172.688.500113.1K92 L94K92-Q96 WeakPolarHBondContact O-CB 3.41Å; K92-Q96 PolarHBondContact O-N 2.71Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.73Å
97R56.7Low54.9Low185 Ų185118 Ų11870%0.69867%0.673SS**Hα-helixtrans-84.8-28174.2-71.1-173.470143.24.2113.8L93 L94 Q95 A100L93-R97 WeakPolarHBondContact O-CG 3.32Å; L93-R97 PolarHBondContact O-N 2.82Å; L94-R97 WeakPolarHBondContact O-CB 3.39Å; L94-R97 PolarHBondContact O-N 2.94Å; Q95-R97 PolarHBondContact O-N 2.84Å; R97-A100 PolarHBondContact O-N 2.86Å
98Q57.3Low53.5Low147 Ų147115.1 Ų115.169%0.68768%0.677SS**Hα-helixtrans-66.4-40.1173-68.8176.7-3.800111.3L94 Q95 A100 G101L94-Q98 PolarHBondContact O-N 3.33Å; L94-Q98 VanDerWaalsContact O-N 3.11Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q98-A100 PolarHBondContact O-N 2.83Å; Q98-A100 VanDerWaalsContact O-N 3.12Å; Q98-G101 PolarHBondContact O-N 3.02Å
99L52.5Low52.5Low157 Ų157119.6 Ų119.682%0.82270%0.695SS**THydrogen-bonded Turntrans-61-15.5171.7-81.6161.7000114.5Q95Q95-L99 PolarHBondContact O-N 2.73Å
100A51.6Low52.2Low87 Ų87119.3 Ų119.372%0.71970%0.704SS**THydrogen-bonded Turntrans-107.311.6-177.800000113.6R97 Q98R97-A100 PolarHBondContact O-N 2.86Å; Q98-A100 PolarHBondContact O-N 2.83Å; Q98-A100 VanDerWaalsContact O-N 3.12Å
101G47.5Very low50.9Low54 Ų54121.8 Ų121.856%0.55773%0.725SS**  trans-156.781.3-172.500000115.5Q98Q98-G101 PolarHBondContact O-N 3.02Å
102Q41.2Very low50.1Low188 Ų188130.3 Ų130.388%0.87975%0.747SS**  trans-112.3140.2147.5-65-171.9500107.6
103P45.2Very low49.3Very low127 Ų127130.1 Ų130.183%0.82575%0.752SS**  -143.8167.194.240.4-28000114.6
104G34.2Very low48.3Very low77 Ų77130.3 Ų130.379%0.79476%0.761SS**  trans72.4120.8135.600000118.8
105A42.1Very low47.6Very low98 Ų98130.2 Ų130.281%0.8177%0.768SS**  trans-83.8-173.316100000111.3
106E38.5Very low46.8Very low198 Ų198128.3 Ų128.393%0.92577%0.774SS**  trans74.3152.6-177.4-52.5-87.86800113.9
107G36.2Very low46.5Very low82 Ų82130.5 Ų130.585%0.84578%0.781SS**  trans-152.2-179-173.400000113.8
108G36.4Very low46.2Very low74 Ų74127.5 Ų127.576%0.76379%0.788SS**  trans139120.6175.300000114.1
109E40.8Very low46.4Very low186 Ų186129.8 Ų129.887%0.86980%0.795SS**  trans62.6149.8161.9-71.2-69.287.200121.1
110P58Low46.8Very low116 Ų116132.2 Ų132.275%0.75380%0.799SS**  trans-99.1118.8-174.136.2-31.5000113.9
111A36.6Very low47.4Very low103 Ų103138.2 Ų138.285%0.85180%0.803SS**  trans-105.7137.2171.500000113
112R49.4Very low48.1Very low228 Ų228141.2 Ų141.286%0.8681%0.81SS**  trans-73.1161.3161.3-54.6178.4-179.1166.9-0.3108.6
113D50Low49.2Very low134 Ų134137.8 Ų137.872%0.71779%0.794SS**  cis-163.3177.322-139.6-39.1000112.6
114C45.2Very low50Low109 Ų109140.5 Ų140.574%0.73679%0.794SS**  trans69.4147.2153-810000121.7
115C49.8Very low51.3Low108 Ų108138.4 Ų138.473%0.7377%0.769SS**  cis-162.6167.4-18.4-1490000114.9K117C115-K117 PolarHBondContact O-N 3.49Å
116A51.8Low52Low88 Ų88137 Ų13773%0.72775%0.748SS**SBendtrans63.3-12.1145.200000123.5
117K55.5Low53Low194 Ų194133.7 Ų133.784%0.84375%0.746SS**  trans-129.965.4174-70.7-174.7-177.4174.60112.9C115 K119C115-K117 PolarHBondContact O-N 3.49Å; K117-K119 PolarHBondContact O-N 2.82Å
118C50Low54.4Low123 Ų123136.4 Ų136.483%0.83174%0.741SS**  trans-60.995.2-175.8-56.60000112.9K120C118-K120 PolarHBondContact O-N 2.97Å
119K61.1Low55.7Low195 Ų195133.9 Ų133.985%0.84872%0.715SS**  trans-56.7121.8161.3-68.3179.4179.7176.70107.7K117 R121K117-K119 PolarHBondContact O-N 2.82Å; K119-R121 PolarHBondContact O-N 2.57Å
120K61.8Low57.1Low208 Ų208130 Ų13090%0.90470%0.7SS**  trans-55.7108.4-178.2-66-179179.8-179.40109.9C118C118-K120 PolarHBondContact O-N 2.97Å
121R64.8Low57.5Low212 Ų212129.3 Ų129.380%0.870%0.698SS**  trans-93128.6169.4-76.5-177.961.5-176.3-4108.5K119K119-R121 PolarHBondContact O-N 2.57Å
122V61.3Low59Low117 Ų117131.5 Ų131.571%0.70969%0.694SS**  trans-121.2125.6168.4179.80000105.8F124V122-F124 HydrophobicContact CG1-CD2 3.6Å; V122-F124 HydrophobicContact CG1-CE2 3.55Å
123Q63.7Low59.9Low116 Ų116123.7 Ų123.754%0.54268%0.678SS.*  trans-139.4114.9178.6-179.2170.2-8.500107.2G129Q123-G129 PolarHBondContact NE2-O 2.78Å
124F61.8Low61.1Low184 Ų184123.1 Ų123.181%0.80769%0.685SS**  trans-141.3130.8174.6-65.7-64.7000107V122V122-F124 HydrophobicContact CG1-CD2 3.6Å; V122-F124 HydrophobicContact CG1-CE2 3.55Å
125A61.7Low62.7Low34 Ų34123.1 Ų123.128%0.28168%0.681SS.*SBendtrans-155.8-50.3167.500000108.2L130 L132A125-L130 WeakPolarHBondContact CB-O 3.47Å; A125-L132 HydrophobicContact CB-CG 4.39Å; A125-L132 VanDerWaalsContact O-CD2 3.29Å; A125-L132 WeakPolarHBondContact O-CD2 3.46Å; A125-L132 WeakPolarHBondContact O-CG 3.21Å
126D57.7Low64.1Low69 Ų69122.8 Ų122.837%0.36967%0.667SS.*SBendtrans-130.4-167.2152.269.9-4.8000110.1L128 G129 L130D126-L128 PolarHBondContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-C 3.31Å; D126-L128 WeakPolarHBondContact OD1-CA 3.4Å; D126-L128 PolarHBondContact OD1-N 3.04Å; D126-G129 PolarHBondContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 2.88Å; D126-L130 PolarHBondContact OD1-N 2.88Å
127S59.5Low65.4Low127 Ų127126 Ų12689%0.88867%0.667SS**THydrogen-bonded Turntrans-72.8-6.1175.547.20000114.6
128L65.3Low66.6Low139 Ų139124.3 Ų124.373%0.72866%0.66SS**THydrogen-bonded Turntrans-108.5-10.1175.4-57.6178.2000112.2D126 L130D126-L128 PolarHBondContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-C 3.31Å; D126-L128 WeakPolarHBondContact OD1-CA 3.4Å; D126-L128 PolarHBondContact OD1-N 3.04Å; L128-L130 HydrophobicContact CB-CD1 4.2Å; L128-L130 HydrophobicContact CB-CG 4.09Å; L128-L130 HydrophobicContact CD1-CD1 4.35Å
129G64.3Low68.1Low21 Ų21121.7 Ų121.722%0.21664%0.643CS.*  trans87.319.5179.500000115.2Q123 D126Q123-G129 PolarHBondContact NE2-O 2.78Å; D126-G129 PolarHBondContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 2.88Å
130L69.8Low68.9Low106 Ų106121 Ų12156%0.55565%0.649SS**  trans-89.2144-173.7-58176.4000113.3A125 D126 L128 L132A125-L130 WeakPolarHBondContact CB-O 3.47Å; D126-L130 PolarHBondContact OD1-N 2.88Å; L128-L130 HydrophobicContact CB-CD1 4.2Å; L128-L130 HydrophobicContact CB-CG 4.09Å; L128-L130 HydrophobicContact CD1-CD1 4.35Å; L130-L132 PolarHBondContact O-N 2.87Å
131S66.4Low69.9Low101 Ų101116.8 Ų116.871%0.70665%0.645SS**  trans-59.3126.8-177.2-174.10000113A133S131-A133 PolarHBondContact O-N 3.48Å; S131-A133 PolarHBondContact OG-O 2.83Å
132L68.4Low70.7Confident149 Ų149110.1 Ų110.178%0.7862%0.623SS**SBendtrans-64.7-15.9177.4-76.9170.2000114.6A125 L130A125-L132 HydrophobicContact CB-CG 4.39Å; A125-L132 VanDerWaalsContact O-CD2 3.29Å; A125-L132 WeakPolarHBondContact O-CD2 3.46Å; A125-L132 WeakPolarHBondContact O-CG 3.21Å; L130-L132 PolarHBondContact O-N 2.87Å
133A67.8Low71.5Confident64 Ų64112.2 Ų112.253%0.52963%0.625SS.*  trans-140145.3178.300000111.2S131S131-A133 PolarHBondContact O-N 3.48Å; S131-A133 PolarHBondContact OG-O 2.83Å
134S76.2Confident72.2Confident122 Ų122111.5 Ų111.585%0.85363%0.631SS**  trans-107.7122.1164.8-175.60000108.2
135V78.6Confident72.9Confident108 Ų108110 Ų11066%0.65563%0.626SS**  trans-109.695.8179.8-177.30000108.4
136K78Confident73.8Confident101 Ų101111.5 Ų111.544%0.43963%0.632SS.*  trans-81.3124.1166.4-176.9172.9179-1690109F138 E142K136-F138 HydrophobicContact CB-CE2 4.28Å; K136-F138 HydrophobicContact CD-CD1 4.3Å; K136-F138 HydrophobicContact CD-CE1 3.78Å; K136-F138 HydrophobicContact CD-CE2 4.22Å; K136-F138 HydrophobicContact CD-CZ 3.74Å; K136-F138 HydrophobicContact CG-CD2 4.4Å; K136-F138 HydrophobicContact CG-CE1 4.44Å; K136-F138 HydrophobicContact CG-CE2 4.11Å; K136-F138 HydrophobicContact CG-CZ 4.14Å; K136-E142 WeakPolarHBondContact CE-OE1 3.23Å; K136-E142 WeakPolarHBondContact CE-OE2 3.39Å; K136-E142 IonicContact NZ-OE1 3.2Å; K136-E142 PolarHBondContact NZ-OE1 3.41Å; K136-E142 IonicContact NZ-OE2 2.71Å; K136-E142 PolarHBondContact NZ-OE2 3.47Å
137H79.4Confident75.1Confident157 Ų157112 Ų11273%0.72764%0.639SS**  trans-87.2139.6163-61.181.2000108
138F81.3Confident76Confident157 Ų157110.7 Ų110.769%0.68963%0.627SS**  trans-109.4156.4172.2-61.9-95.5000108.4K136K136-F138 HydrophobicContact CB-CE2 4.28Å; K136-F138 HydrophobicContact CD-CD1 4.3Å; K136-F138 HydrophobicContact CD-CE1 3.78Å; K136-F138 HydrophobicContact CD-CE2 4.22Å; K136-F138 HydrophobicContact CD-CZ 3.74Å; K136-F138 HydrophobicContact CG-CD2 4.4Å; K136-F138 HydrophobicContact CG-CE1 4.44Å; K136-F138 HydrophobicContact CG-CE2 4.11Å; K136-F138 HydrophobicContact CG-CZ 4.14Å
139S80.9Confident76.5Confident69 Ų69107.8 Ų107.848%0.48362%0.623SS.*  trans-131.3155.9169.265.20000109.8S141 E142S139-S141 PolarHBondContact O-N 2.87Å; S139-E142 PolarHBondContact O-N 3.26Å
140D78.4Confident77Confident180 Ų180110.1 Ų110.196%0.96363%0.633SS**THydrogen-bonded Turntrans-66.7-3.1179.4-48.8-52.5000113.1
141S82.4Confident77.4Confident119 Ų119107.9 Ų107.983%0.83262%0.622SS**THydrogen-bonded Turntrans-103.5-3.3173.9-43.50000113.5S139S139-S141 PolarHBondContact O-N 2.87Å
142E82.7Confident77.8Confident72 Ų72106.7 Ų106.734%0.33661%0.613SS.*SBendtrans-91.6108.5176.7-166.5-167.4173.900110.3K136 S139K136-E142 WeakPolarHBondContact CE-OE1 3.23Å; K136-E142 WeakPolarHBondContact CE-OE2 3.39Å; K136-E142 IonicContact NZ-OE1 3.2Å; K136-E142 PolarHBondContact NZ-OE1 3.41Å; K136-E142 IonicContact NZ-OE2 2.71Å; K136-E142 PolarHBondContact NZ-OE2 3.47Å; S139-E142 PolarHBondContact O-N 3.26Å
143E77.3Confident77.9Confident162 Ų162108.3 Ų108.376%0.75761%0.609SS**  trans-64.5127.1178.5-165.6174.6-164.300110.9Q145E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 PolarHBondContact O-NE2 3.27Å
144P77.9Confident78.1Confident101 Ų101110.9 Ų110.966%0.65661%0.613SS**  trans-63.8120.5-168.223.2-34.1000111.8V146P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 2.9Å
145Q77.9Confident77.9Confident152 Ų152114.3 Ų114.371%0.7161%0.607SS**  trans-72.879.3-180-61.3-58.4-67.900111.3E143 P147E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 PolarHBondContact O-NE2 3.27Å; Q145-P147 WeakPolarHBondContact O-CD 3.5Å
146V79.9Confident77.3Confident65 Ų65111.3 Ų111.339%0.39459%0.591SS.*  trans-63.7121.3178.8-1780000109.8P144 V150 L151P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 2.9Å; V146-V150 HydrophobicContact CG1-CB 3.77Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-L151 HydrophobicContact CB-CD2 4.18Å; V146-L151 HydrophobicContact CB-CG 4.29Å; V146-L151 HydrophobicContact CG1-CD2 3.77Å; V146-L151 HydrophobicContact CG1-CG 3.84Å
147P84.4Confident76.3Confident79 Ų79112.4 Ų112.451%0.51360%0.596SS.*  trans-58.6136.8179.7-26.235.3000111.8Q145 A149 V150Q145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-A149 PolarHBondContact O-N 3.34Å; P147-V150 HydrophobicContact CB-CG2 4.44Å; P147-V150 WeakPolarHBondContact O-CB 3.17Å; P147-V150 PolarHBondContact O-N 3.1Å
148P78.3Confident75.1Confident101 Ų101111.3 Ų111.366%0.65660%0.603SS**Hα-helixtrans-53.7-31.7-174.9-3136.2000115V150 L151 S152P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 2.61Å; P148-L151 PolarHBondContact O-N 2.67Å; P148-S152 PolarHBondContact O-N 2.7Å; P148-S152 PolarHBondContact O-OG 2.79Å
149A76.5Confident74.1Confident77 Ų77107.2 Ų107.264%0.63659%0.588SS**Hα-helixtrans-59.6-33.7175.300000113.5P147 R153P147-A149 PolarHBondContact O-N 3.34Å; A149-R153 WeakPolarHBondContact O-CB 3.24Å; A149-R153 PolarHBondContact O-N 2.75Å
150V75.4Confident73.3Confident71 Ų71106.2 Ų106.243%0.4358%0.581SS.*Hα-helixtrans-71.8-44175.7-1780000110.1V146 P147 P148 S152 R153 L154V146-V150 HydrophobicContact CG1-CB 3.77Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; P147-V150 HydrophobicContact CB-CG2 4.44Å; P147-V150 WeakPolarHBondContact O-CB 3.17Å; P147-V150 PolarHBondContact O-N 3.1Å; P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 2.61Å; V150-S152 PolarHBondContact O-N 2.81Å; V150-R153 PolarHBondContact O-N 2.75Å; V150-L154 HydrophobicContact CG1-CD1 4.24Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.35Å
151L78.1Confident72.4Confident59 Ų59100.1 Ų100.131%0.30956%0.555SS.*Hα-helixtrans-63.7-39.1176.4-62178.4000112.1V146 P148 L154 R155V146-L151 HydrophobicContact CB-CD2 4.18Å; V146-L151 HydrophobicContact CB-CG 4.29Å; V146-L151 HydrophobicContact CG1-CD2 3.77Å; V146-L151 HydrophobicContact CG1-CG 3.84Å; P148-L151 PolarHBondContact O-N 2.67Å; L151-L154 PolarHBondContact O-N 3.02Å; L151-R155 WeakPolarHBondContact O-CB 3.19Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.21Å; L151-R155 PolarHBondContact O-N 3.17Å
152S74.6Confident71.4Confident75 Ų7599.7 Ų99.752%0.52454%0.54SS..Hα-helixtrans-64-41.4173.3-64.10000112P148 V150 R155 S156P148-S152 PolarHBondContact O-N 2.7Å; P148-S152 PolarHBondContact O-OG 2.79Å; V150-S152 PolarHBondContact O-N 2.81Å; S152-R155 CarbonylContact O-C 3.59Å; S152-R155 PolarHBondContact O-N 2.99Å; S152-S156 PolarHBondContact O-N 3.21Å
153R70.2Confident70.4Confident183 Ų18399.5 Ų99.569%0.69154%0.541SS*.Hα-helixtrans-69.8-30.5177.1-171176.9-179.21141.5113.2A149 V150 S156 F157A149-R153 WeakPolarHBondContact O-CB 3.24Å; A149-R153 PolarHBondContact O-N 2.75Å; V150-R153 PolarHBondContact O-N 2.75Å; R153-S156 PolarHBondContact O-OG 3.36Å; R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 WeakPolarHBondContact O-CE2 3.49Å
154L71.8Confident69.7Low119 Ų11997 Ų9762%0.62353%0.533SS*.Hα-helixtrans-70.7-36171.3-72.7168.4000111.6V150 L151 S156V150-L154 HydrophobicContact CG1-CD1 4.24Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.02Å; L154-S156 VanDerWaalsContact C-N 3.34Å
155R71.8Confident69Low194 Ų19498.8 Ų98.873%0.73253%0.53SS*.Hα-helixtrans-79.1-11.3177.6-70.6171-178.9143.41.2114.3L151 S152 F157L151-R155 WeakPolarHBondContact O-CB 3.19Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.21Å; L151-R155 PolarHBondContact O-N 3.17Å; S152-R155 CarbonylContact O-C 3.59Å; S152-R155 PolarHBondContact O-N 2.99Å; R155-F157 PolarHBondContact O-N 2.71Å
156S65.1Low68.2Low45 Ų4598.1 Ų98.132%0.31553%0.527SS..THydrogen-bonded Turntrans-88.826.8173.271.70000113.1S152 R153 L154 L159S152-S156 PolarHBondContact O-N 3.21Å; R153-S156 PolarHBondContact O-OG 3.36Å; L154-S156 VanDerWaalsContact C-N 3.34Å; S156-L159 VanDerWaalsContact O-CD2 3.28Å; S156-L159 WeakPolarHBondContact O-CD2 3.4Å; S156-L159 WeakPolarHBondContact O-CG 3.21Å; S156-L159 PolarHBondContact O-N 2.85Å
157F58.4Low67.2Low124 Ų12498.8 Ų98.854%0.54453%0.531SS..  trans-119.3134.8170.8-77.7-84.9000110.2R153 R155 L159R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 WeakPolarHBondContact O-CE2 3.49Å; R155-F157 PolarHBondContact O-N 2.71Å; F157-L159 HydrophobicContact CD1-CD1 4.36Å; F157-L159 HydrophobicContact CD1-CG 4.11Å; F157-L159 HydrophobicContact CE1-CD1 3.62Å; F157-L159 HydrophobicContact CE1-CG 3.84Å; F157-L159 HydrophobicContact CZ-CD1 3.89Å; F157-L159 HydrophobicContact CZ-CG 4.2Å
158P53.8Low66Low133 Ų13396.9 Ų96.986%0.86453%0.526SS*.SBendcis-66.2139.4-2.229.2-35.5000112.5
159L60.1Low65Low72 Ų7293.8 Ų93.838%0.37751%0.512SS..PPolyproline II helixtrans-65.9138.3177.1-76.7164.1000109.9S156 F157 D163S156-L159 VanDerWaalsContact O-CD2 3.28Å; S156-L159 WeakPolarHBondContact O-CD2 3.4Å; S156-L159 WeakPolarHBondContact O-CG 3.21Å; S156-L159 PolarHBondContact O-N 2.85Å; F157-L159 HydrophobicContact CD1-CD1 4.36Å; F157-L159 HydrophobicContact CD1-CG 4.11Å; F157-L159 HydrophobicContact CE1-CD1 3.62Å; F157-L159 HydrophobicContact CE1-CG 3.84Å; F157-L159 HydrophobicContact CZ-CD1 3.89Å; F157-L159 HydrophobicContact CZ-CG 4.2Å; L159-D163 HydrophobicContact CD2-CB 4.22Å
160S64.4Low64Low48 Ų4895.7 Ų95.734%0.33651%0.511SS..PPolyproline II helixtrans-69.7152.7173.2-173.20000111.3E162 D163 L164S160-E162 PolarHBondContact O-N 2.94Å; S160-E162 PolarHBondContact OG-N 2.83Å; S160-E162 PolarHBondContact OG-OE2 2.86Å; S160-D163 WeakPolarHBondContact CB-OD2 3.44Å; S160-D163 PolarHBondContact N-OD2 2.79Å; S160-D163 PolarHBondContact O-N 2.81Å; S160-D163 VanDerWaalsContact O-N 3.1Å; S160-L164 PolarHBondContact O-N 3.02Å; S160-L164 VanDerWaalsContact O-N 3.12Å
161A58.8Low62.9Low52 Ų5298.3 Ų98.343%0.4352%0.522SS..Hα-helixtrans-59-26.7168.900000111.6K165A161-K165 VanDerWaalsContact O-CD 3.26Å; A161-K165 WeakPolarHBondContact O-CD 3.48Å; A161-K165 VanDerWaalsContact O-CE 3.23Å; A161-K165 WeakPolarHBondContact O-CE 3.39Å; A161-K165 WeakPolarHBondContact O-CG 3.3Å; A161-K165 PolarHBondContact O-N 3.37Å
162E61.3Low61.6Low109 Ų10999.1 Ų99.151%0.50954%0.537SS..Hα-helixtrans-72.5-39.9175-77.348.9-109.700112S160 K165 Q166S160-E162 PolarHBondContact O-N 2.94Å; S160-E162 PolarHBondContact OG-N 2.83Å; S160-E162 PolarHBondContact OG-OE2 2.86Å; E162-K165 PolarHBondContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 3.2Å; E162-K165 PolarHBondContact OE1-NZ 3.01Å; E162-Q166 PolarHBondContact O-N 2.8Å
163D62.8Low60.4Low68 Ų68101.2 Ų101.236%0.36455%0.547SS..Hα-helixtrans-66.4-41.4177.2-57.5-42.5000110.7L159 S160 K165 Q166 V167L159-D163 HydrophobicContact CD2-CB 4.22Å; S160-D163 WeakPolarHBondContact CB-OD2 3.44Å; S160-D163 PolarHBondContact N-OD2 2.79Å; S160-D163 PolarHBondContact O-N 2.81Å; S160-D163 VanDerWaalsContact O-N 3.1Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.64Å; D163-Q166 PolarHBondContact O-N 2.85Å; D163-Q166 VanDerWaalsContact O-N 3.13Å; D163-V167 WeakPolarHBondContact O-CG2 3.25Å; D163-V167 PolarHBondContact O-N 3.45Å
164L62.2Low59.2Low111 Ų11195.7 Ų95.758%0.58154%0.54SS*.Hα-helixtrans-57.6-43.6173.7-88.4160.6000112.2S160 Q166 V167 G168S160-L164 PolarHBondContact O-N 3.02Å; S160-L164 VanDerWaalsContact O-N 3.12Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-V167 PolarHBondContact O-N 2.96Å; L164-G168 PolarHBondContact O-N 2.91Å
165K62.8Low58Low137 Ų13799 Ų9960%0.59655%0.55SS*.Hα-helixtrans-63.4-40.1174.8-66.7158.6-161.2168.60111.3A161 E162 D163 G168 G169A161-K165 VanDerWaalsContact O-CD 3.26Å; A161-K165 WeakPolarHBondContact O-CD 3.48Å; A161-K165 VanDerWaalsContact O-CE 3.23Å; A161-K165 WeakPolarHBondContact O-CE 3.39Å; A161-K165 WeakPolarHBondContact O-CG 3.3Å; A161-K165 PolarHBondContact O-N 3.37Å; E162-K165 PolarHBondContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 3.2Å; E162-K165 PolarHBondContact OE1-NZ 3.01Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.64Å; K165-G168 PolarHBondContact O-N 3.21Å; K165-G169 PolarHBondContact O-N 2.91Å
166Q60.7Low56.9Low139 Ų13995.2 Ų95.265%0.6555%0.547SS*.Hα-helixtrans-70.9-37.1179.6-166.1171.584.500112.7E162 D163 L164 G169 L170E162-Q166 PolarHBondContact O-N 2.8Å; D163-Q166 PolarHBondContact O-N 2.85Å; D163-Q166 VanDerWaalsContact O-N 3.13Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-G169 PolarHBondContact O-N 3.2Å; Q166-L170 WeakPolarHBondContact O-CG 3.25Å; Q166-L170 PolarHBondContact O-N 2.74Å
167V59.8Low56Low78 Ų7898.4 Ų98.447%0.47357%0.567SS.*Hα-helixtrans-61.9-43.1170.4170.60000110.9D163 L164 G169 L170 L171D163-V167 WeakPolarHBondContact O-CG2 3.25Å; D163-V167 PolarHBondContact O-N 3.45Å; L164-V167 PolarHBondContact O-N 2.96Å; V167-G169 VanDerWaalsContact C-N 3.29Å; V167-G169 PolarHBondContact O-N 3.16Å; V167-L170 PolarHBondContact O-N 2.92Å; V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.86Å
168G58.9Low55.5Low39 Ų3995.9 Ų95.940%0.40257%0.569SS.*Hα-helixtrans-57.5-40.8171.700000112.8L164 K165 L171 A172L164-G168 PolarHBondContact O-N 2.91Å; K165-G168 PolarHBondContact O-N 3.21Å; G168-L171 PolarHBondContact O-N 2.88Å; G168-A172 WeakPolarHBondContact O-CB 3.13Å; G168-A172 PolarHBondContact O-N 2.91Å
169G56.9Low55.3Low36 Ų3693.1 Ų93.137%0.37155%0.551SS.*Hα-helixtrans-62.7-44.5173.600000113.7K165 Q166 V167 A172 V173K165-G169 PolarHBondContact O-N 2.91Å; Q166-G169 PolarHBondContact O-N 3.2Å; V167-G169 VanDerWaalsContact C-N 3.29Å; V167-G169 PolarHBondContact O-N 3.16Å; G169-A172 PolarHBondContact O-N 3.29Å; G169-V173 WeakPolarHBondContact O-CG2 3.23Å; G169-V173 PolarHBondContact O-N 3.44Å
170L56Low54.9Low117 Ų11797.9 Ų97.961%0.61358%0.576SS**Hα-helixtrans-64.9-39.2177.4-70.8168.4000112.1Q166 V167 A172 V173 A174Q166-L170 WeakPolarHBondContact O-CG 3.25Å; Q166-L170 PolarHBondContact O-N 2.74Å; V167-L170 PolarHBondContact O-N 2.92Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-V173 PolarHBondContact O-N 2.78Å; L170-A174 PolarHBondContact O-N 3.39Å
171L52.3Low54.2Low126 Ų126107.2 Ų107.266%0.6660%0.604SS**Hα-helixtrans-65.3-35172.8-69.2168.1000112.1V167 G168 A174V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.86Å; G168-L171 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 3.48Å
172A51.8Low53.8Low76 Ų76106.4 Ų106.463%0.62860%0.598SS**Hα-helixtrans-72.4-26.8175.500000113.8G168 G169 L170 A174G168-A172 WeakPolarHBondContact O-CB 3.13Å; G168-A172 PolarHBondContact O-N 2.91Å; G169-A172 PolarHBondContact O-N 3.29Å; L170-A172 VanDerWaalsContact C-N 3.33Å; A172-A174 VanDerWaalsContact C-N 3.32Å
173V48.8Very low53.5Low120 Ų120104.4 Ų104.473%0.72759%0.594SS**Hα-helixtrans-73.1-25.6173.2171.10000111.7G169 L170 K175G169-V173 WeakPolarHBondContact O-CG2 3.23Å; G169-V173 PolarHBondContact O-N 3.44Å; L170-V173 PolarHBondContact O-N 2.78Å; V173-K175 PolarHBondContact O-N 2.94Å
174A45.8Very low53.6Low66 Ų66109.6 Ų109.655%0.54561%0.608SS.*  trans-72.862.6169.300000111.5L170 L171 A172 V176L170-A174 PolarHBondContact O-N 3.39Å; L171-A174 PolarHBondContact O-N 3.48Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 2.86Å
175K45.5Very low54.3Low190 Ų190105.2 Ų105.283%0.82659%0.588SS**  trans-73.565.8179.3-166.1179.4-177.9176.90111.5V173V173-K175 PolarHBondContact O-N 2.94Å
176V48.8Very low55.2Low113 Ų113101.4 Ų101.469%0.68557%0.573SS**  trans-54127.6163.5-176.50000107.2A174 A178A174-V176 PolarHBondContact O-N 2.86Å; V176-A178 PolarHBondContact O-N 3.32Å
177P45.7Very low56.5Low112 Ų11295 Ų9573%0.72754%0.543SS*.  trans-62.7114.617426.4-32.6000107.6P179P177-P179 WeakPolarHBondContact O-CD 3.17Å; P177-P179 VanDerWaalsContact O-N 3.15Å
178A49.3Very low57.8Low72 Ų7295 Ų9560%0.59553%0.534SS*.  trans-57.3122.2-178.700000109.2V176 L180V176-A178 PolarHBondContact O-N 3.32Å; A178-L180 PolarHBondContact O-N 2.94Å
179P47.9Very low59.4Low75 Ų7596.1 Ų96.149%0.48753%0.534SS..  trans-61.5109.6174.823.6-32.1000108.3P177 W181 A182P177-P179 WeakPolarHBondContact O-CD 3.17Å; P177-P179 VanDerWaalsContact O-N 3.15Å; P179-W181 PolarHBondContact O-N 2.97Å; P179-W181 VanDerWaalsContact O-N 3.09Å; P179-A182 HydrophobicContact CB-CB 4.24Å; P179-A182 HydrophobicContact CG-CB 3.77Å; P179-A182 PolarHBondContact O-N 2.94Å
180L52.4Low61.1Low172 Ų172100.7 Ų100.790%0.90154%0.544SS*.THydrogen-bonded Turntrans-63.1113.2172.2-61176.7000106.4A178A178-L180 PolarHBondContact O-N 2.94Å
181W49Very low62.9Low244 Ų24496.7 Ų96.792%0.92452%0.522SS*.THydrogen-bonded Turntrans78.545.9-173-144.4-67.8000116.7P179P179-W181 PolarHBondContact O-N 2.97Å; P179-W181 VanDerWaalsContact O-N 3.09Å
182A51.7Low64.7Low35 Ų3599.1 Ų99.129%0.28953%0.53SS..  trans-83.4123151.800000110.4P179 R184P179-A182 HydrophobicContact CB-CB 4.24Å; P179-A182 HydrophobicContact CG-CB 3.77Å; P179-A182 PolarHBondContact O-N 2.94Å; A182-R184 PolarHBondContact O-N 3.1Å
183P54Low66.5Low66 Ų6698.7 Ų98.743%0.42952%0.517SS..  trans-63.4104.4173.7-22.234.4000110.9A185 S343 T344P183-A185 PolarHBondContact O-N 2.79Å; P183-S343 WeakPolarHBondContact CA-OG 3.47Å; P183-T344 HydrophobicContact CB-CG2 4.38Å; P183-T344 HydrophobicContact CG-CG2 4.46Å
184R66.3Low68.3Low177 Ų17794.5 Ų94.567%0.66849%0.492SS*.  trans-73.3123.4-178.2-76.4-176.6165175.6-6.2110.3A182 Q186A182-R184 PolarHBondContact O-N 3.1Å; R184-Q186 PolarHBondContact O-N 2.66Å
185A75.8Confident70.3Confident19 Ų1993.8 Ų93.816%0.15749%0.491CS..EExtended strand (participates in β ladder)trans-66.6127.916800000109.6P183 P301 Y340 V341P183-A185 PolarHBondContact O-N 2.79Å; A185-P301 HydrophobicContact CB-CB 4.04Å; A185-P301 HydrophobicContact CB-CG 3.71Å; A185-Y340 HydrophobicContact CB-CD1 4.17Å; A185-V341 WeakPolarHBondContact CA-O 3.34Å
186Q82Confident72.3Confident57 Ų5791.6 Ų91.627%0.26649%0.488SS..EExtended strand (participates in β ladder)trans-111.9126177.1-176.9-177.917.500109R184 R188 V341R184-Q186 PolarHBondContact O-N 2.66Å; Q186-R188 HydrophobicContact CG-CG 4.08Å; Q186-R188 PolarHBondContact O-N 2.86Å; Q186-R188 VanDerWaalsContact OE1-CZ 3.31Å; Q186-V341 PolarHBondContact N-O 3.22Å; Q186-V341 PolarHBondContact O-N 3.27Å
187L87.1Confident74.2Confident5 Ų592.3 Ų92.33%0.02649%0.487CS..EExtended strand (participates in β ladder)trans-68.8128.8168.3-171.269.9000109.6C215 V223 L295 I314 L338 Y340L187-C215 HydrophobicContact CB-CB 4.2Å; L187-C215 HydrophobicContact CD2-CB 4.34Å; L187-C215 HydrophobicContact CG-CB 4.34Å; L187-C215 VanDerWaalsContact O-CB 3.26Å; L187-C215 WeakPolarHBondContact O-CB 3.33Å; L187-V223 HydrophobicContact CD2-CG2 3.5Å; L187-V223 VanDerWaalsContact CD2-CG2 3.5Å; L187-L295 HydrophobicContact CD2-CD1 3.48Å; L187-L295 VanDerWaalsContact CD2-CD1 3.48Å; L187-I314 HydrophobicContact CD1-CD1 3.81Å; L187-I314 HydrophobicContact CD2-CD1 4.13Å; L187-L338 HydrophobicContact CD1-CB 3.82Å; L187-L338 HydrophobicContact CD2-CB 4.5Å; L187-L338 HydrophobicContact CD2-CD1 4.08Å; L187-L338 HydrophobicContact CG-CB 4.14Å; L187-Y340 HydrophobicContact CB-CD1 4.06Å; L187-Y340 HydrophobicContact CB-CE1 3.84Å; L187-Y340 HydrophobicContact CD1-CD1 4.36Å; L187-Y340 HydrophobicContact CD1-CD2 4Å; L187-Y340 HydrophobicContact CD1-CE1 4.3Å; L187-Y340 HydrophobicContact CD1-CE2 3.93Å; L187-Y340 HydrophobicContact CD1-CG 4.21Å
188R88.8Confident76.3Confident77 Ų7789.3 Ų89.329%0.29147%0.471SS..EExtended strand (participates in β ladder)trans-134.2148.7-179.7-66.4-173.9177.8176.31.8111.3Q186 L338 R339 V341Q186-R188 HydrophobicContact CG-CG 4.08Å; Q186-R188 PolarHBondContact O-N 2.86Å; Q186-R188 VanDerWaalsContact OE1-CZ 3.31Å; R188-L338 WeakPolarHBondContact O-CA 3.37Å; R188-R339 PolarHBondContact N-O 3.04Å; R188-R339 PolarHBondContact O-N 3.19Å; R188-V341 HydrophobicContact CB-CG2 4.22Å; R188-V341 HydrophobicContact CG-CG2 4.34Å
189P92.3Very high78.3Confident63 Ų6386 Ų8641%0.40944%0.444SS..EExtended strand (participates in β ladder)trans-67.6137.4168.130-34.1000111F191 L338P189-F191 HydrophobicContact CB-CD1 4.07Å; P189-F191 HydrophobicContact CB-CE1 3.6Å; P189-F191 HydrophobicContact CB-CE2 4.1Å; P189-F191 HydrophobicContact CB-CZ 3.59Å; P189-L338 HydrophobicContact CB-CD2 4.01Å
190F92.5Very high80.3Confident132 Ų13285 Ų8558%0.57943%0.433SS*.  trans-116.441.3178.8-142.1-99.1000110.6T337F190-T337 HydrophobicContact CB-CG2 4.38Å; F190-T337 PolarHBondContact N-O 2.79Å
191F92.4Very high82.2Confident33 Ų3380.6 Ų80.615%0.14541%0.408CS..SBendtrans-147.2167.6176.955.2-94.1000109.4P189 L193 V213 Y336 T337 L338P189-F191 HydrophobicContact CB-CD1 4.07Å; P189-F191 HydrophobicContact CB-CE1 3.6Å; P189-F191 HydrophobicContact CB-CE2 4.1Å; P189-F191 HydrophobicContact CB-CZ 3.59Å; F191-L193 HydrophobicContact CD2-CG 4.36Å; F191-L193 HydrophobicContact CE2-CD2 3.92Å; F191-L193 HydrophobicContact CE2-CG 3.9Å; F191-V213 HydrophobicContact CE2-CG2 4.39Å; F191-V213 HydrophobicContact CZ-CB 4.3Å; F191-V213 HydrophobicContact CZ-CG2 3.98Å; F191-Y336 HydrophobicContact CD1-CD1 4.1Å; F191-Y336 AromaticContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CE1 4.05Å; F191-Y336 HydrophobicContact CE1-CD1 4.03Å; F191-Y336 HydrophobicContact CE1-CG 4.45Å; F191-Y336 AromaticContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CE1 4.12Å; F191-Y336 AromaticContact CG-CD1 3.89Å; F191-Y336 HydrophobicContact CG-CD1 3.89Å; F191-Y336 AromaticContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CG 4.4Å; F191-T337 VanDerWaalsContact CD1-N 3.27Å; F191-T337 WeakPolarHBondContact CD1-O 3.43Å; F191-T337 WeakPolarHBondContact CE1-O 3.48Å; F191-L338 HydrophobicContact CE1-CD2 3.78Å; F191-L338 HydrophobicContact CZ-CD2 4.33Å
192Q90.6Very high84.2Confident177 Ų17769.6 Ų69.683%0.82737%0.366SS*.PPolyproline II helixtrans-102.3135.8170.2-61.9179.58.500109
193L90.3Very high86.3Confident68 Ų6867.9 Ų67.936%0.35635%0.352SS..PPolyproline II helixtrans-79.3143.6169.2-74.6161.3000109F191 G195 L210 Y336F191-L193 HydrophobicContact CD2-CG 4.36Å; F191-L193 HydrophobicContact CE2-CD2 3.92Å; F191-L193 HydrophobicContact CE2-CG 3.9Å; L193-G195 PolarHBondContact O-N 2.95Å; L193-L210 HydrophobicContact CD2-CD2 4.31Å; L193-L210 HydrophobicContact CD2-CG 4.21Å; L193-Y336 HydrophobicContact CD2-CE1 4.48Å
194P87Confident88.1Confident31 Ų3167.1 Ų67.120%0.20134%0.34CS..PPolyproline II helixtrans-64.4133.9178.126.8-33.6000110.6A198 A199P194-A198 HydrophobicContact CB-CB 4.07Å; P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 3.89Å
195G87.6Confident89.3Confident51 Ų5166.4 Ų66.453%0.52634%0.338SS..PPolyproline II helixtrans-63.6155.1170.300000111.3L193 I197 A198 A199L193-G195 PolarHBondContact O-N 2.95Å; G195-I197 VanDerWaalsContact C-N 3.32Å; G195-I197 PolarHBondContact O-N 2.93Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CA 3.41Å; G195-A198 WeakPolarHBondContact O-CB 3.44Å; G195-A198 PolarHBondContact O-N 2.81Å; G195-A199 PolarHBondContact O-N 3.14Å
196L86.9Confident90.1Very high145 Ų14568.7 Ų68.776%0.75935%0.345SS*.Hα-helixtrans-41.9-49.7-166.2-62.1175.5000115.3A199 E200L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 2.86Å; L196-E200 PolarHBondContact O-N 2.93Å
197I88.6Confident90.8Very high128 Ų12869.2 Ų69.266%0.65635%0.345SS*.Hα-helixtrans-63.9-46.9179.8-57.9173.4000111.2G195 A199 E200 E201G195-I197 VanDerWaalsContact C-N 3.32Å; G195-I197 PolarHBondContact O-N 2.93Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 PolarHBondContact O-N 2.92Å; I197-E200 PolarHBondContact O-N 3.06Å; I197-E201 WeakPolarHBondContact O-CG 3.38Å; I197-E201 PolarHBondContact O-N 3.45Å
198A89.7Confident91.2Very high49 Ų4969 Ų6941%0.40534%0.343SS..Hα-helixtrans-65.7-34.117700000111.9P194 G195 E201 R202P194-A198 HydrophobicContact CB-CB 4.07Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CA 3.41Å; G195-A198 WeakPolarHBondContact O-CB 3.44Å; G195-A198 PolarHBondContact O-N 2.81Å; A198-E201 PolarHBondContact O-N 3.15Å; A198-R202 WeakPolarHBondContact O-CB 3.38Å; A198-R202 PolarHBondContact O-N 2.87Å
199A90.5Very high91.6Very high3 Ų365.3 Ų65.33%0.02533%0.329CS..Hα-helixtrans-66-43.3175.100000111.3P194 G195 L196 I197 R202 L203P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 3.89Å; G195-A199 PolarHBondContact O-N 3.14Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 2.86Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 PolarHBondContact O-N 2.92Å; A199-R202 PolarHBondContact O-N 2.92Å; A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.89Å
200E91.3Very high91.8Very high54 Ų5462.3 Ų62.325%0.25231%0.31SS..Hα-helixtrans-64.3-44.2173-76.1-169.1-146.700112.9L196 I197 R202 L203 R204 L265L196-E200 PolarHBondContact O-N 2.93Å; I197-E200 PolarHBondContact O-N 3.06Å; E200-R202 VanDerWaalsContact C-N 3.34Å; E200-L203 PolarHBondContact O-N 2.84Å; E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.89Å; E200-R204 IonicContact OE2-CZ 2.7Å; E200-R204 VanDerWaalsContact OE2-CZ 3.23Å; E200-R204 IonicContact OE2-NH1 3.23Å; E200-R204 PolarHBondContact OE2-NH1 2.72Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.04Å; E200-L265 HydrophobicContact CG-CD2 4.07Å
201E91.5Very high91.9Very high79 Ų7958 Ų5837%0.36929%0.292SS..Hα-helixtrans-61.6-43.9176.2-73.2-173.8-166.200111.5I197 A198 L203 R204 R205I197-E201 WeakPolarHBondContact O-CG 3.38Å; I197-E201 PolarHBondContact O-N 3.45Å; A198-E201 PolarHBondContact O-N 3.15Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-R204 PolarHBondContact O-N 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.33Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 IonicContact OE2-CZ 2.61Å; E201-R205 IonicContact OE2-NH1 3.18Å; E201-R205 PolarHBondContact OE2-NH1 2.97Å; E201-R205 IonicContact OE2-NH2 2.67Å; E201-R205 PolarHBondContact OE2-NH2 3.03Å
202R92.4Very high91.9Very high12 Ų1258.4 Ų58.45%0.04530%0.298CS..Hα-helixtrans-59.9-45.1175.4-177.1178.7-173106.325110.8A198 A199 E200 R205 H206 C209 D329 E332A198-R202 WeakPolarHBondContact O-CB 3.38Å; A198-R202 PolarHBondContact O-N 2.87Å; A199-R202 PolarHBondContact O-N 2.92Å; E200-R202 VanDerWaalsContact C-N 3.34Å; R202-R205 PolarHBondContact O-N 3.18Å; R202-H206 WeakPolarHBondContact O-CB 3.3Å; R202-H206 PolarHBondContact O-CD2 2.96Å; R202-H206 PolarHBondContact O-N 3.5Å; R202-C209 HydrophobicContact CG-CB 4.5Å; R202-D329 IonicContact CZ-OD1 2.72Å; R202-D329 IonicContact CZ-OD2 2.95Å; R202-D329 IonicContact NE-OD1 3.8Å; R202-D329 PolarHBondContact NE-OD1 3.47Å; R202-D329 IonicContact NE-OD2 3.88Å; R202-D329 PolarHBondContact NE-OD2 2.98Å; R202-D329 IonicContact NH2-OD1 3.69Å; R202-D329 PolarHBondContact NH2-OD1 3.48Å; R202-E332 IonicContact NH1-OE1 2.9Å; R202-E332 PolarHBondContact NH1-OE1 3.23Å
203L94.4Very high92.1Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-61-43.7175-176.956000112A199 E200 E201 R205 R207 C209 R228 I230 L265 T286A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.89Å; E200-L203 PolarHBondContact O-N 2.84Å; E201-L203 VanDerWaalsContact C-N 3.35Å; L203-R205 PolarHBondContact O-N 3.33Å; L203-R207 WeakPolarHBondContact O-CA 3.46Å; L203-R207 PolarHBondContact O-N 2.97Å; L203-C209 HydrophobicContact CB-CB 3.86Å; L203-C209 HydrophobicContact CD1-CB 4.2Å; L203-R228 HydrophobicContact CD1-CB 4.26Å; L203-R228 WeakPolarHBondContact CD1-O 3.35Å; L203-R228 HydrophobicContact CD2-CB 3.64Å; L203-I230 HydrophobicContact CD1-CG1 4.06Å; L203-I230 HydrophobicContact CG-CD1 4.37Å; L203-I230 HydrophobicContact CG-CG1 4.04Å; L203-I230 WeakPolarHBondContact O-CD1 3.48Å; L203-L265 HydrophobicContact CD2-CD1 4.42Å; L203-L265 HydrophobicContact CD2-CD2 4.4Å; L203-T286 HydrophobicContact CD2-CG2 3.83Å; L203-T286 HydrophobicContact CG-CG2 4.46Å
204R92.1Very high92.2Very high49 Ų4953.5 Ų53.519%0.18528%0.275CS..Hα-helixtrans-63.8-37.5175.2-70.9-176.5-172.396.31.8112.6E200 E201 R207 L265 P266 L284E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.89Å; E200-R204 IonicContact OE2-CZ 2.7Å; E200-R204 VanDerWaalsContact OE2-CZ 3.23Å; E200-R204 IonicContact OE2-NH1 3.23Å; E200-R204 PolarHBondContact OE2-NH1 2.72Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.04Å; E201-R204 PolarHBondContact O-N 3.28Å; R204-R207 PolarHBondContact O-NH1 2.9Å; R204-L265 HydrophobicContact CG-CD1 4.13Å; R204-P266 PolarHBondContact NH2-O 3.46Å; R204-L284 HydrophobicContact CG-CD1 4.43Å
205R92.1Very high92.3Very high162 Ų16253.2 Ų53.261%0.61127%0.273SS*.Hα-helixtrans-75.4-49.1178.3-71.5172-173.1125.813.6113.4E201 R202 L203E201-R205 WeakPolarHBondContact O-CB 3.33Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 IonicContact OE2-CZ 2.61Å; E201-R205 IonicContact OE2-NH1 3.18Å; E201-R205 PolarHBondContact OE2-NH1 2.97Å; E201-R205 IonicContact OE2-NH2 2.67Å; E201-R205 PolarHBondContact OE2-NH2 3.03Å; R202-R205 PolarHBondContact O-N 3.18Å; L203-R205 PolarHBondContact O-N 3.33Å
206H93.1Very high92Very high68 Ų6852.8 Ų52.832%0.31526%0.262SS..Hα-helixtrans-103.5-3.2-168.6-63.9-91.1000114R202 V208 Y327R202-H206 WeakPolarHBondContact O-CB 3.3Å; R202-H206 PolarHBondContact O-CD2 2.96Å; R202-H206 PolarHBondContact O-N 3.5Å; H206-V208 PolarHBondContact O-N 3.02Å; H206-Y327 VanDerWaalsContact O-CB 3.23Å; H206-Y327 WeakPolarHBondContact O-CB 3.37Å
207R95Very high91.2Very high67 Ų6750.8 Ų50.825%0.25325%0.249SC..SBendtrans61-4.8-177.8-45.6-50.9-177.3171.84.1115.9L203 R204 V229 I230 Y232 Y320 Y327L203-R207 WeakPolarHBondContact O-CA 3.46Å; L203-R207 PolarHBondContact O-N 2.97Å; R204-R207 PolarHBondContact O-NH1 2.9Å; R207-V229 CarbonylContact O-C 3.48Å; R207-V229 WeakPolarHBondContact O-CA 3.33Å; R207-V229 WeakPolarHBondContact O-CB 3.14Å; R207-I230 HydrophobicContact CB-CB 4.47Å; R207-I230 PolarHBondContact O-N 3.19Å; R207-Y232 WeakPolarHBondContact CD-OH 3.27Å; R207-Y232 HydrophobicContact CG-CE2 4.27Å; R207-Y232 PolarHBondContact NE-OH 2.72Å; R207-Y232 VanDerWaalsContact NE-OH 3.15Å; R207-Y232 PolarHBondContact NH1-OH 2.8Å; R207-Y320 HydrophobicContact CB-CD1 4.27Å; R207-Y327 HydrophobicContact CB-CD1 4.19Å; R207-Y327 HydrophobicContact CB-CD2 3.98Å; R207-Y327 HydrophobicContact CB-CE1 4.47Å; R207-Y327 HydrophobicContact CB-CE2 4.26Å; R207-Y327 HydrophobicContact CB-CG 3.94Å; R207-Y327 HydrophobicContact CG-CD1 3.86Å; R207-Y327 HydrophobicContact CG-CD2 4.2Å; R207-Y327 HydrophobicContact CG-CE1 3.72Å; R207-Y327 HydrophobicContact CG-CE2 4.05Å; R207-Y327 HydrophobicContact CG-CG 4.1Å
208V96.4Very high89.9Confident0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-139.5141.7171.850.60000109.2H206 R228 V229 F289 V318 D329H206-V208 PolarHBondContact O-N 3.02Å; V208-R228 WeakPolarHBondContact CA-O 3.31Å; V208-V229 HydrophobicContact CB-CG1 3.93Å; V208-V229 HydrophobicContact CG2-CG1 3.93Å; V208-F289 HydrophobicContact CG2-CE1 4.08Å; V208-F289 HydrophobicContact CG2-CZ 4.41Å; V208-V318 HydrophobicContact CG2-CB 4.14Å; V208-V318 HydrophobicContact CG2-CG1 3.77Å; V208-D329 HydrophobicContact CG1-CB 4.04Å; V208-D329 HydrophobicContact CG2-CB 4.26Å
209C96.4Very high88.5Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-145.4129.3173.6-174.10000110.6R202 L203 G227 R228 D329R202-C209 HydrophobicContact CG-CB 4.5Å; L203-C209 HydrophobicContact CB-CB 3.86Å; L203-C209 HydrophobicContact CD1-CB 4.2Å; C209-G227 CarbonylContact O-C 3.51Å; C209-G227 WeakPolarHBondContact O-CA 3.12Å; C209-R228 PolarHBondContact N-O 3.44Å; C209-R228 PolarHBondContact O-N 3.02Å; C209-D329 VanDerWaalsContact CA-OD2 3.3Å; C209-D329 WeakPolarHBondContact CA-OD2 3.43Å
210L96.8Very high87.2Confident0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-76.9140.5167.4-171.167.1000111L193 V213 F289 F291 F316 V318 D329 Y336L193-L210 HydrophobicContact CD2-CD2 4.31Å; L193-L210 HydrophobicContact CD2-CG 4.21Å; L210-V213 HydrophobicContact CD1-CG2 4.25Å; L210-V213 HydrophobicContact CD2-CG2 3.57Å; L210-V213 HydrophobicContact CG-CG2 4.08Å; L210-F289 HydrophobicContact CD1-CE2 4.49Å; L210-F289 HydrophobicContact CD1-CZ 4.39Å; L210-F291 HydrophobicContact CD1-CE1 3.7Å; L210-F291 HydrophobicContact CD1-CZ 4.1Å; L210-F316 HydrophobicContact CD2-CE2 3.69Å; L210-F316 HydrophobicContact CD2-CZ 3.95Å; L210-V318 HydrophobicContact CD1-CG2 4.34Å; L210-D329 PolarHBondContact N-OD2 3.36Å; L210-Y336 HydrophobicContact CB-CE1 4.43Å; L210-Y336 HydrophobicContact CB-CE2 3.93Å; L210-Y336 HydrophobicContact CD2-CD1 3.68Å; L210-Y336 HydrophobicContact CD2-CD2 3.65Å; L210-Y336 HydrophobicContact CD2-CE1 3.71Å; L210-Y336 HydrophobicContact CD2-CE2 3.66Å; L210-Y336 HydrophobicContact CD2-CG 3.65Å; L210-Y336 HydrophobicContact CG-CE2 4.48Å
211E94.6Very high86.2Confident42 Ų4251.5 Ų51.520%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-127.2-29-174.8-68.8172.2-164.700114.4S226 R228 R288E211-S226 PolarHBondContact N-O 3.2Å; E211-R228 WeakPolarHBondContact OE1-CB 3.23Å; E211-R228 WeakPolarHBondContact OE1-CG 3.21Å; E211-R228 IonicContact OE1-CZ 2.98Å; E211-R228 IonicContact OE1-NE 2.71Å; E211-R228 PolarHBondContact OE1-NE 3.04Å; E211-R228 IonicContact OE1-NH1 3.12Å; E211-R228 IonicContact OE1-NH2 2.71Å; E211-R228 PolarHBondContact OE1-NH2 2.81Å; E211-R228 IonicContact OE2-CZ 3.04Å; E211-R228 IonicContact OE2-NH2 3.56Å; E211-R288 IonicContact OE2-CZ 2.81Å; E211-R288 VanDerWaalsContact OE2-CZ 3.25Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 3.22Å; E211-R288 IonicContact OE2-NH2 2.83Å; E211-R288 PolarHBondContact OE2-NH2 3.07Å
212C93.3Very high85.9Confident42 Ų4251.6 Ų51.628%0.28427%0.266SS..EExtended strand (participates in β ladder)trans-148.6140.1-177.5-172.50000110.4G225 S226C212-G225 CarbonylContact O-C 3.52Å; C212-G225 WeakPolarHBondContact O-CA 3.43Å; C212-S226 PolarHBondContact N-O 3.37Å; C212-S226 PolarHBondContact O-N 2.98Å
213V95.1Very high85.9Confident19 Ų1951 Ų5112%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-138132.6174.3-177.50000107.9F191 L210 V223 T224 F316 L338F191-V213 HydrophobicContact CE2-CG2 4.39Å; F191-V213 HydrophobicContact CZ-CB 4.3Å; F191-V213 HydrophobicContact CZ-CG2 3.98Å; L210-V213 HydrophobicContact CD1-CG2 4.25Å; L210-V213 HydrophobicContact CD2-CG2 3.57Å; L210-V213 HydrophobicContact CG-CG2 4.08Å; V213-V223 HydrophobicContact CG1-CG1 3.89Å; V213-T224 WeakPolarHBondContact CA-O 3.45Å; V213-F316 HydrophobicContact CG1-CZ 4.3Å; V213-F316 HydrophobicContact CG2-CZ 3.95Å; V213-L338 HydrophobicContact CG1-CD2 4.36Å
214Q92.2Very high85.9Confident123 Ų12353.2 Ų53.258%0.57528%0.277SS*.EExtended strand (participates in β ladder)trans-126.3129.9-179.3-58.8-178.52.800108.7V223 T224Q214-V223 WeakPolarHBondContact O-CA 3.25Å; Q214-T224 PolarHBondContact N-O 3Å; Q214-T224 PolarHBondContact O-N 3.18Å
215C89.3Confident86.1Confident25 Ų2551.2 Ų51.217%0.16927%0.272CS..EExtended strand (participates in β ladder)trans-108.6114.9176.1-63.80000108.2L187L187-C215 HydrophobicContact CB-CB 4.2Å; L187-C215 HydrophobicContact CD2-CB 4.34Å; L187-C215 HydrophobicContact CG-CB 4.34Å; L187-C215 VanDerWaalsContact O-CB 3.26Å; L187-C215 WeakPolarHBondContact O-CB 3.33Å
216S80.5Confident86.3Confident42 Ų4244.6 Ų44.629%0.29425%0.25SS..PPolyproline II helixtrans-67169.1179.576.30000111.8S220 E222S216-S220 PolarHBondContact OG-O 3.12Å; S216-E222 PolarHBondContact N-O 3.04Å; S216-E222 PolarHBondContact OG-N 3.14Å; S216-E222 PolarHBondContact OG-O 2.95Å
217Q69Low86.4Confident102 Ų10241.4 Ų41.448%0.47724%0.235SC..PPolyproline II helixtrans-91.8150.4174.7-61.1-58.4-82.100111
218P63.4Low86.4Confident40 Ų4040 Ų4026%0.2623%0.23SC..SBendtrans-54.3147.9173.3-25.534.6000112.3
219P59.6Low86.3Confident114 Ų11440 Ų4074%0.7423%0.23SC*.SBendcis-86.2-32.723.131.5-35.9000115.6A221 Q300P219-A221 PolarHBondContact O-N 3.49Å; P219-Q300 PolarHBondContact O-NE2 2.95Å
220S62.3Low86.2Confident85 Ų8540 Ų4059%0.59423%0.23SC*.SBendtrans-91.580.6-178.851.60000110.5S216 E222S216-S220 PolarHBondContact OG-O 3.12Å; S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 VanDerWaalsContact O-N 3.13Å
221A70.7Confident85.9Confident10 Ų1041 Ų418%0.08324%0.237CC..  trans-64.3109.3173.400000109.8P219 L295 Q300P219-A221 PolarHBondContact O-N 3.49Å; A221-L295 HydrophobicContact CB-CD1 4.21Å; A221-L295 WeakPolarHBondContact O-CB 3.5Å; A221-Q300 HydrophobicContact CB-CG 4.49Å
222E84.9Confident85.6Confident82 Ų8240.8 Ų40.838%0.38323%0.234SC..EExtended strand (participates in β ladder)trans-128.3138.3-174.1-175.9179.5-169.700107.6S216 S220 T224 S292S216-E222 PolarHBondContact N-O 3.04Å; S216-E222 PolarHBondContact OG-N 3.14Å; S216-E222 PolarHBondContact OG-O 2.95Å; S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 VanDerWaalsContact O-N 3.13Å; E222-T224 HydrophobicContact CG-CG2 4.15Å; E222-S292 VanDerWaalsContact CD-OG 3.31Å; E222-S292 WeakPolarHBondContact CG-OG 3.12Å; E222-S292 WeakPolarHBondContact OE1-CB 3.43Å; E222-S292 PolarHBondContact OE1-OG 2.96Å
223V93.1Very high85.2Confident0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-111.7106.8176.9177.90000107.6L187 V213 Q214 S292 L293 L295 L338L187-V223 HydrophobicContact CD2-CG2 3.5Å; L187-V223 VanDerWaalsContact CD2-CG2 3.5Å; V213-V223 HydrophobicContact CG1-CG1 3.89Å; Q214-V223 WeakPolarHBondContact O-CA 3.25Å; V223-S292 CarbonylContact O-C 3.51Å; V223-S292 WeakPolarHBondContact O-CA 3.2Å; V223-L293 HydrophobicContact CB-CB 4.19Å; V223-L293 HydrophobicContact CB-CD1 4.41Å; V223-L293 HydrophobicContact CB-CG 4.41Å; V223-L293 HydrophobicContact CG1-CD1 4.25Å; V223-L293 PolarHBondContact N-O 3.12Å; V223-L293 PolarHBondContact O-N 3.21Å; V223-L295 HydrophobicContact CG2-CD1 3.99Å; V223-L295 HydrophobicContact CG2-CD2 4.35Å; V223-L295 HydrophobicContact CG2-CG 4.38Å; V223-L338 HydrophobicContact CB-CD1 4.2Å; V223-L338 HydrophobicContact CG1-CD1 3.69Å; V223-L338 HydrophobicContact CG2-CD1 3.47Å; V223-L338 VanDerWaalsContact CG2-CD1 3.47Å
224T95.1Very high84.9Confident46 Ų4644.6 Ų44.628%0.28227%0.267SS..EExtended strand (participates in β ladder)trans-99.6154.2171.263.10000110.2V213 Q214 E222 F291V213-T224 WeakPolarHBondContact CA-O 3.45Å; Q214-T224 PolarHBondContact N-O 3Å; Q214-T224 PolarHBondContact O-N 3.18Å; E222-T224 HydrophobicContact CG-CG2 4.15Å; T224-F291 VanDerWaalsContact CA-O 3.26Å; T224-F291 WeakPolarHBondContact CA-O 3.43Å
225G95.5Very high84.8Confident7 Ų743.5 Ų43.57%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-156.3164.4176.200000113.1C212 C290 F291C212-G225 CarbonylContact O-C 3.52Å; C212-G225 WeakPolarHBondContact O-CA 3.43Å; G225-C290 VanDerWaalsContact O-CA 3.28Å; G225-C290 WeakPolarHBondContact O-CA 3.23Å; G225-F291 PolarHBondContact N-O 3.48Å; G225-F291 WeakPolarHBondContact O-CD1 3.37Å; G225-F291 PolarHBondContact O-N 3.04Å
226S95.5Very high85Confident23 Ų2346.2 Ų46.216%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-147.2158.6172.7640000112.2E211 C212 R288 F289E211-S226 PolarHBondContact N-O 3.2Å; C212-S226 PolarHBondContact N-O 3.37Å; C212-S226 PolarHBondContact O-N 2.98Å; S226-R288 PolarHBondContact OG-NH2 3.01Å; S226-F289 WeakPolarHBondContact CA-O 3.4Å; S226-F289 WeakPolarHBondContact CB-O 3.28Å
227G95.4Very high85.7Confident0 Ų046.2 Ų46.20%028%0.28CS..EExtended strand (participates in β ladder)trans-163.8-166.3177.500000110.5C209 R288 F289C209-G227 CarbonylContact O-C 3.51Å; C209-G227 WeakPolarHBondContact O-CA 3.12Å; G227-R288 CarbonylContact O-C 3.52Å; G227-R288 WeakPolarHBondContact O-CA 3.43Å; G227-R288 VanDerWaalsContact O-CG 3.23Å; G227-R288 WeakPolarHBondContact O-CG 3.24Å; G227-F289 VanDerWaalsContact CA-CE1 3.46Å; G227-F289 PolarHBondContact N-O 3.44Å; G227-F289 WeakPolarHBondContact O-CD1 3.41Å; G227-F289 PolarHBondContact O-N 3.27Å
228R95.2Very high87Confident37 Ų3741.5 Ų41.514%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-123.9156.3173.6-79-176.1-63.8-113.1-13.3112.6L203 V208 C209 E211 E263 E287 R288L203-R228 HydrophobicContact CD1-CB 4.26Å; L203-R228 WeakPolarHBondContact CD1-O 3.35Å; L203-R228 HydrophobicContact CD2-CB 3.64Å; V208-R228 WeakPolarHBondContact CA-O 3.31Å; C209-R228 PolarHBondContact N-O 3.44Å; C209-R228 PolarHBondContact O-N 3.02Å; E211-R228 WeakPolarHBondContact OE1-CB 3.23Å; E211-R228 WeakPolarHBondContact OE1-CG 3.21Å; E211-R228 IonicContact OE1-CZ 2.98Å; E211-R228 IonicContact OE1-NE 2.71Å; E211-R228 PolarHBondContact OE1-NE 3.04Å; E211-R228 IonicContact OE1-NH1 3.12Å; E211-R228 IonicContact OE1-NH2 2.71Å; E211-R228 PolarHBondContact OE1-NH2 2.81Å; E211-R228 IonicContact OE2-CZ 3.04Å; E211-R228 IonicContact OE2-NH2 3.56Å; R228-E263 WeakPolarHBondContact CD-OE2 3.3Å; R228-E263 IonicContact CZ-OE2 2.74Å; R228-E263 IonicContact NE-OE2 2.9Å; R228-E263 IonicContact NH1-OE2 3.25Å; R228-E263 PolarHBondContact NH1-OE2 3.06Å; R228-E287 CarbonylContact C-O 3.52Å; R228-E287 VanDerWaalsContact CA-O 3.26Å; R228-E287 WeakPolarHBondContact CA-O 3.41Å; R228-R288 HydrophobicContact CG-CB 4.48Å; R228-R288 HydrophobicContact CG-CG 4.47Å
229V95.6Very high88.7Confident0 Ų040.5 Ų40.50%025%0.251CS..EExtended strand (participates in β ladder)trans-124.2156.5165.2-62.30000110.5R207 V208 V238 L257 T286 E287 F289 Y320R207-V229 CarbonylContact O-C 3.48Å; R207-V229 WeakPolarHBondContact O-CA 3.33Å; R207-V229 WeakPolarHBondContact O-CB 3.14Å; V208-V229 HydrophobicContact CB-CG1 3.93Å; V208-V229 HydrophobicContact CG2-CG1 3.93Å; V229-V238 HydrophobicContact CG1-CG2 3.6Å; V229-V238 HydrophobicContact CG2-CG2 4.47Å; V229-L257 HydrophobicContact CG2-CD2 3.91Å; V229-T286 CarbonylContact O-C 3.54Å; V229-T286 WeakPolarHBondContact O-CA 3.16Å; V229-T286 VanDerWaalsContact O-CB 3.27Å; V229-T286 WeakPolarHBondContact O-CB 3.35Å; V229-E287 HydrophobicContact CG2-CB 3.96Å; V229-E287 PolarHBondContact N-O 2.86Å; V229-E287 PolarHBondContact O-N 3.19Å; V229-F289 HydrophobicContact CG1-CD1 3.97Å; V229-F289 HydrophobicContact CG1-CE1 4.24Å; V229-Y320 HydrophobicContact CB-CD1 4.16Å; V229-Y320 HydrophobicContact CB-CD2 4.03Å; V229-Y320 HydrophobicContact CB-CE1 4.18Å; V229-Y320 HydrophobicContact CB-CE2 4.03Å; V229-Y320 HydrophobicContact CB-CG 4.09Å; V229-Y320 HydrophobicContact CG1-CD1 4.25Å; V229-Y320 HydrophobicContact CG1-CD2 3.75Å; V229-Y320 HydrophobicContact CG1-CE2 4.24Å; V229-Y320 HydrophobicContact CG1-CG 3.75Å; V229-Y320 HydrophobicContact CG2-CD2 4.24Å; V229-Y320 HydrophobicContact CG2-CE2 3.89Å
230I93.9Very high90.5Very high2 Ų235.1 Ų35.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-83.4129.5170.4-68.9177.1000108.9L203 R207 Y232 L265 L284 T286 Y320L203-I230 HydrophobicContact CD1-CG1 4.06Å; L203-I230 HydrophobicContact CG-CD1 4.37Å; L203-I230 HydrophobicContact CG-CG1 4.04Å; L203-I230 WeakPolarHBondContact O-CD1 3.48Å; R207-I230 HydrophobicContact CB-CB 4.47Å; R207-I230 PolarHBondContact O-N 3.19Å; I230-Y232 HydrophobicContact CB-CE2 4.13Å; I230-Y232 HydrophobicContact CG2-CD2 4.38Å; I230-Y232 HydrophobicContact CG2-CE1 4.34Å; I230-Y232 HydrophobicContact CG2-CE2 3.68Å; I230-Y232 WeakPolarHBondContact O-CD2 3.32Å; I230-Y232 PolarHBondContact O-N 2.9Å; I230-L265 HydrophobicContact CD1-CD1 4.25Å; I230-L265 HydrophobicContact CG1-CD1 4.3Å; I230-L284 HydrophobicContact CD1-CD1 4.19Å; I230-L284 HydrophobicContact CG2-CD2 4.13Å; I230-T286 HydrophobicContact CG1-CG2 3.97Å; I230-Y320 WeakPolarHBondContact O-CE1 3.43Å; I230-Y320 PolarHBondContact O-OH 2.85Å
231S90.3Very high92.2Very high19 Ų1933.6 Ų33.613%0.13320%0.197CC..  trans-89.6104.6-166.4-165.70000112.1R236 V285 E287S231-R236 PolarHBondContact OG-NH1 2.95Å; S231-R236 PolarHBondContact OG-NH2 2.71Å; S231-V285 VanDerWaalsContact CB-O 3.24Å; S231-V285 WeakPolarHBondContact CB-O 3.2Å; S231-V285 PolarHBondContact N-O 2.71Å; S231-E287 WeakPolarHBondContact CA-OE1 3.45Å; S231-E287 WeakPolarHBondContact CB-OE1 3.33Å; S231-E287 VanDerWaalsContact OG-CD 3.27Å; S231-E287 PolarHBondContact OG-OE1 2.74Å
232Y87.6Confident93.5Very high38 Ų3833.7 Ų33.715%0.14920%0.196CC..  trans-104.2135.5176.4-65.8-74.5000111.7R207 I230 R236 Y320 Q324R207-Y232 WeakPolarHBondContact CD-OH 3.27Å; R207-Y232 HydrophobicContact CG-CE2 4.27Å; R207-Y232 PolarHBondContact NE-OH 2.72Å; R207-Y232 VanDerWaalsContact NE-OH 3.15Å; R207-Y232 PolarHBondContact NH1-OH 2.8Å; I230-Y232 HydrophobicContact CB-CE2 4.13Å; I230-Y232 HydrophobicContact CG2-CD2 4.38Å; I230-Y232 HydrophobicContact CG2-CE1 4.34Å; I230-Y232 HydrophobicContact CG2-CE2 3.68Å; I230-Y232 WeakPolarHBondContact O-CD2 3.32Å; I230-Y232 PolarHBondContact O-N 2.9Å; Y232-R236 VanDerWaalsContact C-NH2 3.27Å; Y232-R236 VanDerWaalsContact O-CZ 3.23Å; Y232-R236 PolarHBondContact O-NE 2.9Å; Y232-R236 PolarHBondContact O-NH2 2.79Å; Y232-Y320 HydrophobicContact CD2-CE1 4.36Å; Y232-Q324 VanDerWaalsContact CB-CD 3.48Å; Y232-Q324 HydrophobicContact CD1-CG 4.13Å; Y232-Q324 HydrophobicContact CE1-CG 4.49Å; Y232-Q324 HydrophobicContact CG-CG 4.15Å; Y232-Q324 VanDerWaalsContact CG-OE1 3.27Å
233P85.8Confident94Very high98 Ų9829.9 Ų29.964%0.63618%0.178SC*.SBendtrans-53.6148.3176.3-26.535.5000112.7
234G87.3Confident93.9Very high44 Ų4432 Ų3245%0.45419%0.187SC..SBendtrans107.8-171.3-175.700000113.8E323G234-E323 WeakPolarHBondContact CA-OE1 3.43Å
235P91Very high93.8Very high99 Ų9932.1 Ų32.164%0.64319%0.188SC*.  trans-69.4137.9177.129.1-33.5000111.4E323P235-E323 VanDerWaalsContact CD-OE1 3.28Å; P235-E323 WeakPolarHBondContact CD-OE1 3.31Å; P235-E323 HydrophobicContact CG-CG 4.43Å
236R92.7Very high93.6Very high82 Ų8237.2 Ų37.231%0.30921%0.21SC..  trans-129.8143.3-178.6-61.2171.7-168.1151.8-1.3110.2S231 Y232 L257 E287 Y320 R321S231-R236 PolarHBondContact OG-NH1 2.95Å; S231-R236 PolarHBondContact OG-NH2 2.71Å; Y232-R236 VanDerWaalsContact C-NH2 3.27Å; Y232-R236 VanDerWaalsContact O-CZ 3.23Å; Y232-R236 PolarHBondContact O-NE 2.9Å; Y232-R236 PolarHBondContact O-NH2 2.79Å; R236-L257 HydrophobicContact CB-CD1 4.03Å; R236-E287 WeakPolarHBondContact CD-OE1 3.28Å; R236-E287 IonicContact CZ-OE1 3.19Å; R236-E287 IonicContact CZ-OE2 3.81Å; R236-E287 IonicContact NE-OE1 3.33Å; R236-E287 PolarHBondContact NE-OE1 2.8Å; R236-E287 IonicContact NH1-OE1 2.81Å; R236-E287 PolarHBondContact NH1-OE1 3.07Å; R236-E287 IonicContact NH1-OE2 2.75Å; R236-E287 PolarHBondContact NH1-OE2 2.9Å; R236-Y320 HydrophobicContact CB-CE2 4.21Å; R236-Y320 HydrophobicContact CG-CE2 4.46Å; R236-R321 WeakPolarHBondContact CA-O 3.28Å
237A95.4Very high93.5Very high42 Ų4240 Ų4035%0.34722%0.217SC..EExtended strand (participates in β ladder)trans-144.7136.2168.100000110.6Y320 R321A237-Y320 WeakPolarHBondContact O-CD2 3.44Å; A237-R321 PolarHBondContact N-O 2.93Å; A237-R321 PolarHBondContact O-N 3.24Å
238V97.7Very high93.5Very high3 Ų350.2 Ų50.22%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-106.8140.7163.4179.30000108.1V229 A255 L257 F289 V318 C319 Y320V229-V238 HydrophobicContact CG1-CG2 3.6Å; V229-V238 HydrophobicContact CG2-CG2 4.47Å; V238-A255 HydrophobicContact CB-CB 3.88Å; V238-A255 HydrophobicContact CG1-CB 3.65Å; V238-A255 PolarHBondContact O-N 3.12Å; V238-L257 HydrophobicContact CG2-CD1 4.2Å; V238-L257 HydrophobicContact CG2-CD2 4.09Å; V238-L257 HydrophobicContact CG2-CG 4.29Å; V238-F289 HydrophobicContact CG1-CB 4.47Å; V238-F289 HydrophobicContact CG1-CD1 4.4Å; V238-F289 HydrophobicContact CG1-CD2 3.89Å; V238-F289 HydrophobicContact CG1-CE2 4.19Å; V238-F289 HydrophobicContact CG1-CG 4.01Å; V238-F289 HydrophobicContact CG2-CB 4.33Å; V238-F289 HydrophobicContact CG2-CD1 4.47Å; V238-F289 HydrophobicContact CG2-CG 4.4Å; V238-V318 HydrophobicContact CG1-CG1 3.52Å; V238-C319 CarbonylContact C-O 3.56Å; V238-C319 WeakPolarHBondContact CA-O 3.43Å; V238-Y320 HydrophobicContact CG2-CD2 3.67Å; V238-Y320 HydrophobicContact CG2-CE2 4.41Å; V238-Y320 HydrophobicContact CG2-CG 4.48Å
239T98.1Very high93.4Very high20 Ų2052.6 Ų52.612%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-141.7129-179.8-59.60000108.8D252 V253 C319T239-D252 HydrophobicContact CG2-CB 3.74Å; T239-V253 CarbonylContact C-O 3.59Å; T239-V253 VanDerWaalsContact CA-O 3.31Å; T239-V253 WeakPolarHBondContact CA-O 3.43Å; T239-V253 WeakPolarHBondContact CG2-O 3.41Å; T239-C319 PolarHBondContact N-O 2.63Å; T239-C319 WeakPolarHBondContact O-CB 3.5Å; T239-C319 PolarHBondContact O-N 3.02Å
240V98.3Very high93.5Very high0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-95.7118.1172.7-176.20000108.4V253 F291 L293 F316 V318V240-V253 PolarHBondContact N-O 3.42Å; V240-V253 PolarHBondContact O-N 2.82Å; V240-F291 HydrophobicContact CB-CD2 4.4Å; V240-F291 HydrophobicContact CB-CG 4.49Å; V240-F291 HydrophobicContact CG1-CD2 4.44Å; V240-F291 HydrophobicContact CG1-CE2 4.26Å; V240-F291 HydrophobicContact CG2-CB 4.04Å; V240-F291 HydrophobicContact CG2-CD1 3.64Å; V240-F291 HydrophobicContact CG2-CD2 3.9Å; V240-F291 HydrophobicContact CG2-CE1 3.97Å; V240-F291 HydrophobicContact CG2-CE2 4.22Å; V240-F291 HydrophobicContact CG2-CG 3.59Å; V240-F291 HydrophobicContact CG2-CZ 4.25Å; V240-L293 HydrophobicContact CB-CD2 4.13Å; V240-L293 HydrophobicContact CG1-CD1 4.34Å; V240-L293 HydrophobicContact CG1-CD2 3.89Å; V240-F316 HydrophobicContact CG1-CB 4.03Å; V240-F316 HydrophobicContact CG1-CD2 3.66Å; V240-F316 HydrophobicContact CG1-CE2 4.48Å; V240-F316 HydrophobicContact CG1-CG 4.18Å; V240-V318 HydrophobicContact CG2-CG1 4.41Å; V240-V318 HydrophobicContact CG2-CG2 4.31Å
241R98.2Very high93.6Very high53 Ų5361.7 Ų61.720%0.232%0.318CS..EExtended strand (participates in β ladder)trans-93.7126.1172.8-176.9171.2-72.4166.4-2.5109W247 F250 L251 D252 F316 A317 W328R241-W247 HydrophobicContact CB-CZ3 4.46Å; R241-W247 HydrophobicContact CG-CZ3 3.8Å; R241-F250 HydrophobicContact CG-CB 3.83Å; R241-F250 HydrophobicContact CG-CD2 3.76Å; R241-F250 HydrophobicContact CG-CG 3.97Å; R241-F250 VanDerWaalsContact NE-CD2 3.34Å; R241-L251 WeakPolarHBondContact CA-O 3.18Å; R241-D252 VanDerWaalsContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CG-OD1 3.41Å; R241-D252 IonicContact CZ-OD1 3.51Å; R241-D252 IonicContact CZ-OD2 3.6Å; R241-D252 IonicContact NE-OD1 3.61Å; R241-D252 PolarHBondContact NE-OD1 2.63Å; R241-D252 IonicContact NE-OD2 3.45Å; R241-D252 IonicContact NH2-OD1 3.45Å; R241-D252 PolarHBondContact NH2-OD1 3.01Å; R241-D252 IonicContact NH2-OD2 2.76Å; R241-D252 PolarHBondContact NH2-OD2 3.27Å; R241-F316 CarbonylContact O-C 3.54Å; R241-F316 WeakPolarHBondContact O-CA 3.2Å; R241-F316 VanDerWaalsContact O-CB 3.3Å; R241-F316 WeakPolarHBondContact O-CB 3.46Å; R241-A317 PolarHBondContact N-O 3.2Å; R241-A317 PolarHBondContact O-N 3.39Å; R241-W328 HydrophobicContact CB-CH2 4.22Å; R241-W328 HydrophobicContact CB-CZ3 4.1Å
242Y96.8Very high94Very high13 Ų1364.1 Ų64.15%0.05133%0.329CS..EExtended strand (participates in β ladder)trans-133.9156.9179.766.2-74.1000112.9F244 F250 L251 V253 L293 H315Y242-F244 HydrophobicContact CD2-CE1 4.23Å; Y242-F244 HydrophobicContact CD2-CE2 4.18Å; Y242-F244 AromaticContact CD2-CZ 3.73Å; Y242-F244 HydrophobicContact CD2-CZ 3.73Å; Y242-F244 AromaticContact CE2-CE2 3.92Å; Y242-F244 HydrophobicContact CE2-CE2 3.92Å; Y242-F244 AromaticContact CE2-CZ 3.6Å; Y242-F244 HydrophobicContact CE2-CZ 3.6Å; Y242-F250 CarbonylContact O-C 3.55Å; Y242-F250 VanDerWaalsContact O-CA 3.24Å; Y242-F250 WeakPolarHBondContact O-CA 3.26Å; Y242-F250 WeakPolarHBondContact O-CB 3.28Å; Y242-L251 HydrophobicContact CD1-CB 4.08Å; Y242-L251 VanDerWaalsContact CD1-O 3.23Å; Y242-L251 WeakPolarHBondContact CD1-O 3.5Å; Y242-L251 HydrophobicContact CE1-CB 3.58Å; Y242-L251 HydrophobicContact CE2-CB 4.16Å; Y242-L251 HydrophobicContact CE2-CD1 3.85Å; Y242-L251 PolarHBondContact N-O 3.31Å; Y242-L251 PolarHBondContact O-N 3.04Å; Y242-V253 HydrophobicContact CE1-CB 4.16Å; Y242-V253 HydrophobicContact CE1-CG2 3.66Å; Y242-L293 HydrophobicContact CD1-CD1 4.42Å; Y242-L293 HydrophobicContact CD1-CD2 3.79Å; Y242-L293 HydrophobicContact CE1-CD2 3.96Å; Y242-L293 HydrophobicContact CG-CD1 4.16Å; Y242-L293 HydrophobicContact CG-CD2 4.34Å; Y242-H315 CarbonylContact C-O 3.49Å; Y242-H315 WeakPolarHBondContact CA-O 3.45Å
243T95.3Very high94.4Very high2 Ų264 Ų641%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-144.8154.4-175.2-179.40000111.6T245 W247 T249 H315T243-T245 PolarHBondContact OG1-N 3.41Å; T243-T245 VanDerWaalsContact OG1-N 3.15Å; T243-T245 PolarHBondContact OG1-OG1 3.3Å; T243-W247 HydrophobicContact CG2-CD2 3.61Å; T243-W247 HydrophobicContact CG2-CE3 4.04Å; T243-W247 HydrophobicContact CG2-CG 3.84Å; T243-W247 HydrophobicContact CG2-CZ2 4.18Å; T243-W247 PolarHBondContact OG1-N 2.94Å; T243-T249 VanDerWaalsContact CB-O 3.23Å; T243-T249 WeakPolarHBondContact CB-O 3.35Å; T243-T249 PolarHBondContact OG1-O 3.46Å; T243-H315 HydrophobicContact CG2-CB 3.76Å; T243-H315 PolarHBondContact N-O 3.3Å; T243-H315 PolarHBondContact O-N 3.03Å; T243-H315 VanDerWaalsContact O-N 3.14Å
244F91.8Very high95Very high43 Ų4364.2 Ų64.219%0.18933%0.334CS..SBendtrans-121.512.3174.4-50.7-61.2000111.7Y242 L251 L295 P296 L299 I314Y242-F244 HydrophobicContact CD2-CE1 4.23Å; Y242-F244 HydrophobicContact CD2-CE2 4.18Å; Y242-F244 AromaticContact CD2-CZ 3.73Å; Y242-F244 HydrophobicContact CD2-CZ 3.73Å; Y242-F244 AromaticContact CE2-CE2 3.92Å; Y242-F244 HydrophobicContact CE2-CE2 3.92Å; Y242-F244 AromaticContact CE2-CZ 3.6Å; Y242-F244 HydrophobicContact CE2-CZ 3.6Å; F244-L251 HydrophobicContact CE2-CD1 4.4Å; F244-L295 HydrophobicContact CE1-CD2 3.95Å; F244-L295 HydrophobicContact CZ-CD2 4.04Å; F244-P296 HydrophobicContact CE2-CG 3.96Å; F244-P296 HydrophobicContact CZ-CG 4.38Å; F244-L299 HydrophobicContact CB-CD2 4.42Å; F244-L299 HydrophobicContact CD1-CD1 3.42Å; F244-L299 VanDerWaalsContact CD1-CD1 3.42Å; F244-L299 HydrophobicContact CD1-CD2 4.47Å; F244-L299 HydrophobicContact CD2-CD1 4.17Å; F244-L299 HydrophobicContact CE1-CD1 3.31Å; F244-L299 HydrophobicContact CE2-CD1 4.08Å; F244-L299 HydrophobicContact CG-CD1 3.85Å; F244-L299 HydrophobicContact CG-CD2 4.4Å; F244-L299 HydrophobicContact CZ-CD1 3.65Å; F244-I314 HydrophobicContact CD1-CB 4.29Å; F244-I314 HydrophobicContact CD1-CG1 3.95Å; F244-I314 HydrophobicContact CD1-CG2 3.85Å; F244-I314 HydrophobicContact CE1-CB 4.33Å; F244-I314 HydrophobicContact CE1-CD1 4.12Å; F244-I314 HydrophobicContact CE1-CG1 4.01Å; F244-I314 HydrophobicContact CE1-CG2 3.56Å
245T91.7Very high95.4Very high49 Ų4962.7 Ų62.730%0.30132%0.317SS..SBendtrans-144.730.7-160.158.70000113T243 W247 R248 T249T243-T245 PolarHBondContact OG1-N 3.41Å; T243-T245 VanDerWaalsContact OG1-N 3.15Å; T243-T245 PolarHBondContact OG1-OG1 3.3Å; T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.24Å; T245-R248 VanDerWaalsContact O-CB 3.25Å; T245-R248 WeakPolarHBondContact O-CB 3.36Å; T245-R248 VanDerWaalsContact O-CD 3.25Å; T245-R248 WeakPolarHBondContact O-CD 3.15Å; T245-R248 WeakPolarHBondContact O-CG 3.14Å; T245-R248 PolarHBondContact O-N 2.99Å; T245-R248 VanDerWaalsContact O-N 3.17Å; T245-T249 PolarHBondContact OG1-N 3.17Å; T245-T249 PolarHBondContact OG1-O 2.91Å; T245-T249 VanDerWaalsContact OG1-O 3.1Å; T245-T249 PolarHBondContact OG1-OG1 3.23Å
246E91.8Very high95.6Very high114 Ų11464.8 Ų64.853%0.53332%0.318SS..THydrogen-bonded Turntrans51.747.7-174.8-56.1-45.9105.600112.9R248 H315E246-R248 PolarHBondContact O-N 3.35Å; E246-H315 IonicContact OE1-CD2 3.97Å; E246-H315 IonicContact OE1-NE2 2.8Å; E246-H315 PolarHBondContact OE1-NE2 3.22Å; E246-H315 IonicContact OE2-NE2 3.77Å
247W94.7Very high95.5Very high81 Ų8163 Ų6331%0.30731%0.314SS..THydrogen-bonded Turntrans61.55.1-179.7-58.289.8000115.8R241 T243 T245 T249 H315 A317 N335R241-W247 HydrophobicContact CB-CZ3 4.46Å; R241-W247 HydrophobicContact CG-CZ3 3.8Å; T243-W247 HydrophobicContact CG2-CD2 3.61Å; T243-W247 HydrophobicContact CG2-CE3 4.04Å; T243-W247 HydrophobicContact CG2-CG 3.84Å; T243-W247 HydrophobicContact CG2-CZ2 4.18Å; T243-W247 PolarHBondContact OG1-N 2.94Å; T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.24Å; W247-T249 PolarHBondContact O-N 3.31Å; W247-H315 HydrophobicContact CZ2-CB 3.84Å; W247-A317 HydrophobicContact CH2-CB 4Å; W247-N335 HydrophobicContact CZ2-CB 4.19Å; W247-N335 WeakPolarHBondContact CZ2-OD1 3.35Å
248R93.7Very high94.9Very high215 Ų21563.3 Ų63.381%0.81131%0.313SS*.SBendtrans-61-34.7173.8-64.2169.3-175.5-107.91.3112.3T245 E246T245-R248 VanDerWaalsContact O-CB 3.25Å; T245-R248 WeakPolarHBondContact O-CB 3.36Å; T245-R248 VanDerWaalsContact O-CD 3.25Å; T245-R248 WeakPolarHBondContact O-CD 3.15Å; T245-R248 WeakPolarHBondContact O-CG 3.14Å; T245-R248 PolarHBondContact O-N 2.99Å; T245-R248 VanDerWaalsContact O-N 3.17Å; E246-R248 PolarHBondContact O-N 3.35Å
249T94.9Very high93.5Very high88 Ų8868.5 Ų68.554%0.5435%0.347SS..SBendtrans-136.2146.7169.454.80000109T243 T245 W247T243-T249 VanDerWaalsContact CB-O 3.23Å; T243-T249 WeakPolarHBondContact CB-O 3.35Å; T243-T249 PolarHBondContact OG1-O 3.46Å; T245-T249 PolarHBondContact OG1-N 3.17Å; T245-T249 PolarHBondContact OG1-O 2.91Å; T245-T249 VanDerWaalsContact OG1-O 3.1Å; T245-T249 PolarHBondContact OG1-OG1 3.23Å; W247-T249 PolarHBondContact O-N 3.31Å
250F96.8Very high91.7Very high102 Ų10276.7 Ų76.745%0.44738%0.384SS..  trans-140.7161.9179.961.2-95.7000111.2R241 Y242R241-F250 HydrophobicContact CG-CB 3.83Å; R241-F250 HydrophobicContact CG-CD2 3.76Å; R241-F250 HydrophobicContact CG-CG 3.97Å; R241-F250 VanDerWaalsContact NE-CD2 3.34Å; Y242-F250 CarbonylContact O-C 3.55Å; Y242-F250 VanDerWaalsContact O-CA 3.24Å; Y242-F250 WeakPolarHBondContact O-CA 3.26Å; Y242-F250 WeakPolarHBondContact O-CB 3.28Å
251L96.3Very high90.1Very high90 Ų9078.1 Ų78.147%0.47139%0.394SS..EExtended strand (participates in β ladder)trans-124.6133.5174.4-64.6173.7000108.4R241 Y242 F244R241-L251 WeakPolarHBondContact CA-O 3.18Å; Y242-L251 HydrophobicContact CD1-CB 4.08Å; Y242-L251 VanDerWaalsContact CD1-O 3.23Å; Y242-L251 WeakPolarHBondContact CD1-O 3.5Å; Y242-L251 HydrophobicContact CE1-CB 3.58Å; Y242-L251 HydrophobicContact CE2-CB 4.16Å; Y242-L251 HydrophobicContact CE2-CD1 3.85Å; Y242-L251 PolarHBondContact N-O 3.31Å; Y242-L251 PolarHBondContact O-N 3.04Å; F244-L251 HydrophobicContact CE2-CD1 4.4Å
252D97.8Very high88.7Confident70 Ų7080 Ų8037%0.37441%0.407SS..EExtended strand (participates in β ladder)trans-102.8119175.9-78-10.2000108.8T239 R241T239-D252 HydrophobicContact CG2-CB 3.74Å; R241-D252 VanDerWaalsContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CG-OD1 3.41Å; R241-D252 IonicContact CZ-OD1 3.51Å; R241-D252 IonicContact CZ-OD2 3.6Å; R241-D252 IonicContact NE-OD1 3.61Å; R241-D252 PolarHBondContact NE-OD1 2.63Å; R241-D252 IonicContact NE-OD2 3.45Å; R241-D252 IonicContact NH2-OD1 3.45Å; R241-D252 PolarHBondContact NH2-OD1 3.01Å; R241-D252 IonicContact NH2-OD2 2.76Å; R241-D252 PolarHBondContact NH2-OD2 3.27Å
253V97.1Very high87.5Confident35 Ų3583.7 Ų83.721%0.21243%0.425CS..EExtended strand (participates in β ladder)trans-114.2129175.7156.60000109.8T239 V240 Y242 L293T239-V253 CarbonylContact C-O 3.59Å; T239-V253 VanDerWaalsContact CA-O 3.31Å; T239-V253 WeakPolarHBondContact CA-O 3.43Å; T239-V253 WeakPolarHBondContact CG2-O 3.41Å; V240-V253 PolarHBondContact N-O 3.42Å; V240-V253 PolarHBondContact O-N 2.82Å; Y242-V253 HydrophobicContact CE1-CB 4.16Å; Y242-V253 HydrophobicContact CE1-CG2 3.66Å; V253-L293 HydrophobicContact CB-CD2 4.45Å; V253-L293 HydrophobicContact CG1-CD2 4.49Å
254P97.3Very high86.2Confident104 Ų10490 Ų9068%0.67545%0.452SS*.EExtended strand (participates in β ladder)trans-65.8140.9173.929.3-34.4000110.3
255A96.8Very high84.9Confident12 Ų1288.5 Ų88.510%0.09945%0.446CS..EExtended strand (participates in β ladder)trans-99.9145.6168.900000109.6V238 F289 C290 F291V238-A255 HydrophobicContact CB-CB 3.88Å; V238-A255 HydrophobicContact CG1-CB 3.65Å; V238-A255 PolarHBondContact O-N 3.12Å; A255-F289 HydrophobicContact CB-CD2 4.04Å; A255-C290 CarbonylContact C-O 3.53Å; A255-C290 WeakPolarHBondContact CA-O 3.49Å; A255-C290 WeakPolarHBondContact CB-O 3.38Å; A255-F291 HydrophobicContact CB-CB 3.95Å
256E94.6Very high83.4Confident143 Ų14389.3 Ų89.367%0.66845%0.452SS*.BIsolated β-bridgetrans-78.3138.4178.6-62.1-179.6178.100110.3F289 C290E256-F289 WeakPolarHBondContact O-CA 3.17Å; E256-F289 WeakPolarHBondContact O-CB 3.37Å; E256-C290 PolarHBondContact N-O 3.03Å; E256-C290 PolarHBondContact O-N 3.26Å
257L90.6Very high81.8Confident43 Ų4388 Ų8823%0.22545%0.454CS..  trans-116.293.4171.6-75.6167.4000107.8V229 R236 V238 E287 F289V229-L257 HydrophobicContact CG2-CD2 3.91Å; R236-L257 HydrophobicContact CB-CD1 4.03Å; V238-L257 HydrophobicContact CG2-CD1 4.2Å; V238-L257 HydrophobicContact CG2-CD2 4.09Å; V238-L257 HydrophobicContact CG2-CG 4.29Å; L257-E287 HydrophobicContact CD2-CB 3.99Å; L257-F289 HydrophobicContact CD2-CB 3.81Å
258P83.8Confident80.1Confident50 Ų5087.6 Ų87.633%0.32546%0.46SS..  trans-73.6127.2-177.5-12.728.3000110E260 S261 R288P258-E260 PolarHBondContact O-N 3.43Å; P258-S261 WeakPolarHBondContact CB-OG 3.26Å; P258-S261 VanDerWaalsContact O-CB 3.28Å; P258-S261 WeakPolarHBondContact O-CB 3.34Å; P258-S261 PolarHBondContact O-N 3.4Å; P258-S261 PolarHBondContact O-OG 2.98Å; P258-R288 VanDerWaalsContact CD-O 3.31Å; P258-R288 WeakPolarHBondContact CD-O 3.47Å
259P67.3Low78.1Confident112 Ų11283.3 Ų83.373%0.72746%0.46SS*.THydrogen-bonded Turntrans-67.4-13.2-163.925.5-35.8000115.5
260E61.2Low76Confident191 Ų19185.2 Ų85.289%0.89347%0.466SS*.THydrogen-bonded Turntrans-89.5-3.7177.4-58.8-174.2161.100113.2P258 L262P258-E260 PolarHBondContact O-N 3.43Å; E260-L262 PolarHBondContact O-N 2.91Å
261S63Low73.8Confident30 Ų3083.8 Ų83.821%0.2148%0.48CS..  trans-80.530.1-170.2-43.40000115.1P258 E263 T286 E287 R288P258-S261 WeakPolarHBondContact CB-OG 3.26Å; P258-S261 VanDerWaalsContact O-CB 3.28Å; P258-S261 WeakPolarHBondContact O-CB 3.34Å; P258-S261 PolarHBondContact O-N 3.4Å; P258-S261 PolarHBondContact O-OG 2.98Å; S261-E263 PolarHBondContact O-N 3.24Å; S261-T286 VanDerWaalsContact O-O 3.11Å; S261-E287 WeakPolarHBondContact O-CA 3.46Å; S261-R288 PolarHBondContact O-N 3.47Å
262L69.3Low71.3Confident92 Ų9287 Ų8748%0.48249%0.492SS..EExtended strand (participates in β ladder)trans-84.987.6-170.4-66.3170.2000112.3E260 V285 T286 E287E260-L262 PolarHBondContact O-N 2.91Å; L262-V285 HydrophobicContact CB-CG1 3.92Å; L262-V285 HydrophobicContact CD2-CG1 3.62Å; L262-V285 HydrophobicContact CG-CG1 4.29Å; L262-T286 CarbonylContact C-O 3.57Å; L262-T286 WeakPolarHBondContact CA-O 3.48Å; L262-E287 HydrophobicContact CD2-CG 3.47Å; L262-E287 VanDerWaalsContact CD2-CG 3.47Å
263E71.2Confident68.9Low92 Ų9290.1 Ų90.143%0.4352%0.52SS..EExtended strand (participates in β ladder)trans-87.2134.8173.2-65.7-174.6153.800110.8R228 S261 T286R228-E263 WeakPolarHBondContact CD-OE2 3.3Å; R228-E263 IonicContact CZ-OE2 2.74Å; R228-E263 IonicContact NE-OE2 2.9Å; R228-E263 IonicContact NH1-OE2 3.25Å; R228-E263 PolarHBondContact NH1-OE2 3.06Å; S261-E263 PolarHBondContact O-N 3.24Å; E263-T286 PolarHBondContact N-O 3.19Å; E263-T286 PolarHBondContact O-N 3.01Å; E263-T286 PolarHBondContact O-OG1 3.32Å
264K68.9Low66.4Low134 Ų13491.4 Ų91.458%0.58354%0.54SS*.EExtended strand (participates in β ladder)trans-82.7126.5173.2-71.1153.6168.6-88.40109.8E283K264-E283 VanDerWaalsContact CD-OE1 3.3Å; K264-E283 WeakPolarHBondContact CD-OE1 3.28Å; K264-E283 HydrophobicContact CG-CG 4.35Å; K264-E283 IonicContact NZ-OE1 3.63Å; K264-E283 PolarHBondContact NZ-OE1 3.47Å; K264-E283 IonicContact NZ-OE2 3.39Å; K264-E283 PolarHBondContact NZ-OE2 3.26Å
265L65.1Low64.2Low11 Ų1193.4 Ų93.46%0.05855%0.553CS.*PPolyproline II helixtrans-68.4139.3167.7-82.5166.8000110.4E200 L203 R204 I230 L284 T286E200-L265 HydrophobicContact CG-CD2 4.07Å; L203-L265 HydrophobicContact CD2-CD1 4.42Å; L203-L265 HydrophobicContact CD2-CD2 4.4Å; R204-L265 HydrophobicContact CG-CD1 4.13Å; I230-L265 HydrophobicContact CD1-CD1 4.25Å; I230-L265 HydrophobicContact CG1-CD1 4.3Å; L265-L284 HydrophobicContact CB-CB 4.34Å; L265-L284 WeakPolarHBondContact CB-O 3.15Å; L265-L284 HydrophobicContact CD1-CB 3.93Å; L265-L284 HydrophobicContact CD1-CD1 4.45Å; L265-L284 PolarHBondContact N-O 3.11Å; L265-L284 VanDerWaalsContact N-O 3.1Å; L265-T286 HydrophobicContact CD1-CG2 3.5Å; L265-T286 HydrophobicContact CD2-CG2 4.48Å; L265-T286 HydrophobicContact CG-CG2 3.62Å
266P59.7Low61.9Low66 Ų6696.5 Ų96.543%0.42959%0.586SS.*PPolyproline II helixtrans-66.4148.6172.127.9-33.2000110.8R204R204-P266 PolarHBondContact NH2-O 3.46Å
267P58Low59.4Low86 Ų8694.1 Ų94.156%0.55859%0.591SS**PPolyproline II helixtrans-58.2143.9166.2-2434.7000111.2P269P267-P269 WeakPolarHBondContact O-CD 3.38Å
268V58.2Low57.4Low73 Ų7396.4 Ų96.444%0.44263%0.625SS.*PPolyproline II helixtrans-84.9121.6177.6178.80000108.6L270V268-L270 PolarHBondContact O-N 3.43Å
269P51.8Low55.4Low125 Ų125101.1 Ų101.181%0.81265%0.648SS**  trans-71.177.5177.7-18.733.9000111.9P267 G271P267-P269 WeakPolarHBondContact O-CD 3.38Å; P269-G271 PolarHBondContact O-N 2.58Å; P269-G271 VanDerWaalsContact O-N 3.14Å
270L50.9Low54.6Low129 Ų129100.7 Ų100.768%0.67565%0.648SS**  trans-71.7108.2178.6-150.775.3000108.9V268 H272V268-L270 PolarHBondContact O-N 3.43Å; L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.32Å
271G51.6Low54.3Low72 Ų7298.4 Ų98.474%0.74264%0.637SS**  trans-72.662.9-167.700000115.3P269P269-G271 PolarHBondContact O-N 2.58Å; P269-G271 VanDerWaalsContact O-N 3.14Å
272H42.9Very low54Low156 Ų156104.7 Ų104.772%0.72266%0.663SS**  trans-128.5117.2-179.6-60.8-36.1000111.6L270 G274L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.32Å; H272-G274 PolarHBondContact O-N 3.47Å
273S48.6Very low53.8Low136 Ų136105.6 Ų105.695%0.95167%0.665SS**  trans-75.1118.9-174.2-49.90000112.4
274G44.3Very low54.2Low62 Ų62103.3 Ų103.364%0.63966%0.655SS**  trans-173.3103.7173.300000114.2H272 G276H272-G274 PolarHBondContact O-N 3.47Å; G274-G276 VanDerWaalsContact C-N 3.34Å; G274-G276 PolarHBondContact O-N 3.04Å
275P50.9Low55.1Low146 Ų14699.3 Ų99.395%0.94864%0.642SS**SBendtrans-80.878176.133.3-33.8000110.4
276G47.6Very low56.3Low77 Ų7798.8 Ų98.879%0.79464%0.639SS**  trans-179.933.7-172.300000118.8G274G274-G276 VanDerWaalsContact C-N 3.34Å; G274-G276 PolarHBondContact O-N 3.04Å
277A42.8Very low57.9Low94 Ų9496.2 Ų96.278%0.77762%0.621SS**  trans-141.3103.6165.500000109.5D279A277-D279 PolarHBondContact O-N 3.01Å
278G49.4Very low59.6Low91 Ų9195.5 Ų95.594%0.93861%0.608SS**  trans-91.190.8166.700000108.3
279D41.1Very low61.4Low149 Ų14992.1 Ų92.180%0.79759%0.587SS**  trans-136.9154173.3-139.3-25.4000109A277 E281A277-D279 PolarHBondContact O-N 3.01Å; D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.16Å
280S50.4Low63.5Low103 Ų10388.4 Ų88.472%0.7256%0.564SS**  trans-73.3110.3-172.7-68.60000111.2E282S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 2.99Å
281E54Low65.7Low143 Ų14383 Ų8367%0.66854%0.535SS*.  trans-60.298.3154.9-68.8-167.7124.800107.3D279 E283D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.16Å; E281-E283 PolarHBondContact O-N 2.89Å
282E57.3Low67.8Low162 Ų16281.4 Ų81.476%0.75751%0.512SS*.  trans-58.1107.6178.9-67.8-170143.800108.6S280 L284S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 2.99Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 WeakPolarHBondContact O-CG 3.45Å; E282-L284 PolarHBondContact O-N 2.83Å
283E66Low70.2Confident111 Ų11174 Ų7452%0.51948%0.477SS..  trans-69.592.2-174-169-176.6-15500109.1K264 E281 V285K264-E283 VanDerWaalsContact CD-OE1 3.3Å; K264-E283 WeakPolarHBondContact CD-OE1 3.28Å; K264-E283 HydrophobicContact CG-CG 4.35Å; K264-E283 IonicContact NZ-OE1 3.63Å; K264-E283 PolarHBondContact NZ-OE1 3.47Å; K264-E283 IonicContact NZ-OE2 3.39Å; K264-E283 PolarHBondContact NZ-OE2 3.26Å; E281-E283 PolarHBondContact O-N 2.89Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 2.87Å
284L78.8Confident72Confident43 Ų4372.1 Ų72.123%0.22546%0.463CS..  trans-63.395.9-173.3-64.9175.7000110.3R204 I230 L265 E282R204-L284 HydrophobicContact CG-CD1 4.43Å; I230-L284 HydrophobicContact CD1-CD1 4.19Å; I230-L284 HydrophobicContact CG2-CD2 4.13Å; L265-L284 HydrophobicContact CB-CB 4.34Å; L265-L284 WeakPolarHBondContact CB-O 3.15Å; L265-L284 HydrophobicContact CD1-CB 3.93Å; L265-L284 HydrophobicContact CD1-CD1 4.45Å; L265-L284 PolarHBondContact N-O 3.11Å; L265-L284 VanDerWaalsContact N-O 3.1Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 WeakPolarHBondContact O-CG 3.45Å; E282-L284 PolarHBondContact O-N 2.83Å
285V87.4Confident74Confident50 Ų5070.1 Ų70.130%0.30344%0.438SS..EExtended strand (participates in β ladder)trans-67.8139.4171.6-165.40000108.5S231 L262 E283S231-V285 VanDerWaalsContact CB-O 3.24Å; S231-V285 WeakPolarHBondContact CB-O 3.2Å; S231-V285 PolarHBondContact N-O 2.71Å; L262-V285 HydrophobicContact CB-CG1 3.92Å; L262-V285 HydrophobicContact CD2-CG1 3.62Å; L262-V285 HydrophobicContact CG-CG1 4.29Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 2.87Å
286T91Very high75.5Confident1 Ų166.1 Ų66.11%0.00641%0.412CS..EExtended strand (participates in β ladder)trans-124.9143.6179.454.50000110.8L203 V229 I230 S261 L262 E263 L265L203-T286 HydrophobicContact CD2-CG2 3.83Å; L203-T286 HydrophobicContact CG-CG2 4.46Å; V229-T286 CarbonylContact O-C 3.54Å; V229-T286 WeakPolarHBondContact O-CA 3.16Å; V229-T286 VanDerWaalsContact O-CB 3.27Å; V229-T286 WeakPolarHBondContact O-CB 3.35Å; I230-T286 HydrophobicContact CG1-CG2 3.97Å; S261-T286 VanDerWaalsContact O-O 3.11Å; L262-T286 CarbonylContact C-O 3.57Å; L262-T286 WeakPolarHBondContact CA-O 3.48Å; E263-T286 PolarHBondContact N-O 3.19Å; E263-T286 PolarHBondContact O-N 3.01Å; E263-T286 PolarHBondContact O-OG1 3.32Å; L265-T286 HydrophobicContact CD1-CG2 3.5Å; L265-T286 HydrophobicContact CD2-CG2 4.48Å; L265-T286 HydrophobicContact CG-CG2 3.62Å
287E92.6Very high76.8Confident12 Ų1267.7 Ų67.76%0.05641%0.408CS..EExtended strand (participates in β ladder)trans-108.1133.4174.3-73.6160-83.100109.3R228 V229 S231 R236 L257 S261 L262R228-E287 CarbonylContact C-O 3.52Å; R228-E287 VanDerWaalsContact CA-O 3.26Å; R228-E287 WeakPolarHBondContact CA-O 3.41Å; V229-E287 HydrophobicContact CG2-CB 3.96Å; V229-E287 PolarHBondContact N-O 2.86Å; V229-E287 PolarHBondContact O-N 3.19Å; S231-E287 WeakPolarHBondContact CA-OE1 3.45Å; S231-E287 WeakPolarHBondContact CB-OE1 3.33Å; S231-E287 VanDerWaalsContact OG-CD 3.27Å; S231-E287 PolarHBondContact OG-OE1 2.74Å; R236-E287 WeakPolarHBondContact CD-OE1 3.28Å; R236-E287 IonicContact CZ-OE1 3.19Å; R236-E287 IonicContact CZ-OE2 3.81Å; R236-E287 IonicContact NE-OE1 3.33Å; R236-E287 PolarHBondContact NE-OE1 2.8Å; R236-E287 IonicContact NH1-OE1 2.81Å; R236-E287 PolarHBondContact NH1-OE1 3.07Å; R236-E287 IonicContact NH1-OE2 2.75Å; R236-E287 PolarHBondContact NH1-OE2 2.9Å; L257-E287 HydrophobicContact CD2-CB 3.99Å; S261-E287 WeakPolarHBondContact O-CA 3.46Å; L262-E287 HydrophobicContact CD2-CG 3.47Å; L262-E287 VanDerWaalsContact CD2-CG 3.47Å
288R94.1Very high78.1Confident71 Ų7166.2 Ų66.227%0.26840%0.403SS..EExtended strand (participates in β ladder)trans-75.1138.2167.5-155.1174.8-171.271.420110.2E211 S226 G227 R228 P258 S261E211-R288 IonicContact OE2-CZ 2.81Å; E211-R288 VanDerWaalsContact OE2-CZ 3.25Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 3.22Å; E211-R288 IonicContact OE2-NH2 2.83Å; E211-R288 PolarHBondContact OE2-NH2 3.07Å; S226-R288 PolarHBondContact OG-NH2 3.01Å; G227-R288 CarbonylContact O-C 3.52Å; G227-R288 WeakPolarHBondContact O-CA 3.43Å; G227-R288 VanDerWaalsContact O-CG 3.23Å; G227-R288 WeakPolarHBondContact O-CG 3.24Å; R228-R288 HydrophobicContact CG-CB 4.48Å; R228-R288 HydrophobicContact CG-CG 4.47Å; P258-R288 VanDerWaalsContact CD-O 3.31Å; P258-R288 WeakPolarHBondContact CD-O 3.47Å; S261-R288 PolarHBondContact O-N 3.47Å
289F95.6Very high79.3Confident1 Ų163.4 Ų63.40%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-118.2155.6171.471.2-92.9000111.5V208 L210 S226 G227 V229 V238 A255 E256 L257 F291 V318V208-F289 HydrophobicContact CG2-CE1 4.08Å; V208-F289 HydrophobicContact CG2-CZ 4.41Å; L210-F289 HydrophobicContact CD1-CE2 4.49Å; L210-F289 HydrophobicContact CD1-CZ 4.39Å; S226-F289 WeakPolarHBondContact CA-O 3.4Å; S226-F289 WeakPolarHBondContact CB-O 3.28Å; G227-F289 VanDerWaalsContact CA-CE1 3.46Å; G227-F289 PolarHBondContact N-O 3.44Å; G227-F289 WeakPolarHBondContact O-CD1 3.41Å; G227-F289 PolarHBondContact O-N 3.27Å; V229-F289 HydrophobicContact CG1-CD1 3.97Å; V229-F289 HydrophobicContact CG1-CE1 4.24Å; V238-F289 HydrophobicContact CG1-CB 4.47Å; V238-F289 HydrophobicContact CG1-CD1 4.4Å; V238-F289 HydrophobicContact CG1-CD2 3.89Å; V238-F289 HydrophobicContact CG1-CE2 4.19Å; V238-F289 HydrophobicContact CG1-CG 4.01Å; V238-F289 HydrophobicContact CG2-CB 4.33Å; V238-F289 HydrophobicContact CG2-CD1 4.47Å; V238-F289 HydrophobicContact CG2-CG 4.4Å; A255-F289 HydrophobicContact CB-CD2 4.04Å; E256-F289 WeakPolarHBondContact O-CA 3.17Å; E256-F289 WeakPolarHBondContact O-CB 3.37Å; L257-F289 HydrophobicContact CD2-CB 3.81Å; F289-F291 HydrophobicContact CD2-CD1 4.22Å; F289-F291 AromaticContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CE1 4.07Å; F289-V318 HydrophobicContact CE1-CG1 4.49Å; F289-V318 HydrophobicContact CE2-CG1 3.95Å; F289-V318 HydrophobicContact CE2-CG2 4.44Å; F289-V318 HydrophobicContact CZ-CG1 3.77Å; F289-V318 HydrophobicContact CZ-CG2 4.27Å
290C96.6Very high80.8Confident48 Ų4858.9 Ų58.932%0.32434%0.34SS..EExtended strand (participates in β ladder)trans-137.7153.8172.752.60000112.3G225 A255 E256G225-C290 VanDerWaalsContact O-CA 3.28Å; G225-C290 WeakPolarHBondContact O-CA 3.23Å; A255-C290 CarbonylContact C-O 3.53Å; A255-C290 WeakPolarHBondContact CA-O 3.49Å; A255-C290 WeakPolarHBondContact CB-O 3.38Å; E256-C290 PolarHBondContact N-O 3.03Å; E256-C290 PolarHBondContact O-N 3.26Å
291F96.3Very high81.6Confident15 Ų1555.6 Ų55.67%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-149.1163.3179.465.6-89.1000112.2L210 T224 G225 V240 A255 F289 L293 F316L210-F291 HydrophobicContact CD1-CE1 3.7Å; L210-F291 HydrophobicContact CD1-CZ 4.1Å; T224-F291 VanDerWaalsContact CA-O 3.26Å; T224-F291 WeakPolarHBondContact CA-O 3.43Å; G225-F291 PolarHBondContact N-O 3.48Å; G225-F291 WeakPolarHBondContact O-CD1 3.37Å; G225-F291 PolarHBondContact O-N 3.04Å; V240-F291 HydrophobicContact CB-CD2 4.4Å; V240-F291 HydrophobicContact CB-CG 4.49Å; V240-F291 HydrophobicContact CG1-CD2 4.44Å; V240-F291 HydrophobicContact CG1-CE2 4.26Å; V240-F291 HydrophobicContact CG2-CB 4.04Å; V240-F291 HydrophobicContact CG2-CD1 3.64Å; V240-F291 HydrophobicContact CG2-CD2 3.9Å; V240-F291 HydrophobicContact CG2-CE1 3.97Å; V240-F291 HydrophobicContact CG2-CE2 4.22Å; V240-F291 HydrophobicContact CG2-CG 3.59Å; V240-F291 HydrophobicContact CG2-CZ 4.25Å; A255-F291 HydrophobicContact CB-CB 3.95Å; F289-F291 HydrophobicContact CD2-CD1 4.22Å; F289-F291 AromaticContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CE1 4.07Å; F291-L293 HydrophobicContact CD2-CD2 3.75Å; F291-L293 HydrophobicContact CD2-CG 3.86Å; F291-L293 HydrophobicContact CE2-CD1 4.1Å; F291-L293 HydrophobicContact CE2-CD2 4.11Å; F291-L293 HydrophobicContact CE2-CG 3.87Å; F291-F316 HydrophobicContact CE2-CE2 4.37Å; F291-F316 AromaticContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CZ 4.24Å
292S95.3Very high82Confident38 Ų3855.3 Ų55.327%0.26632%0.315SS..EExtended strand (participates in β ladder)trans-132.1138.7166.1178.10000110.2E222 V223E222-S292 VanDerWaalsContact CD-OG 3.31Å; E222-S292 WeakPolarHBondContact CG-OG 3.12Å; E222-S292 WeakPolarHBondContact OE1-CB 3.43Å; E222-S292 PolarHBondContact OE1-OG 2.96Å; V223-S292 CarbonylContact O-C 3.51Å; V223-S292 WeakPolarHBondContact O-CA 3.2Å
293L93.8Very high81.9Confident0 Ų055.5 Ų55.50%032%0.316CS..EExtended strand (participates in β ladder)trans-110.4120.6174.7-45.8179.4000110.2V223 V240 Y242 V253 F291 L295 F316V223-L293 HydrophobicContact CB-CB 4.19Å; V223-L293 HydrophobicContact CB-CD1 4.41Å; V223-L293 HydrophobicContact CB-CG 4.41Å; V223-L293 HydrophobicContact CG1-CD1 4.25Å; V223-L293 PolarHBondContact N-O 3.12Å; V223-L293 PolarHBondContact O-N 3.21Å; V240-L293 HydrophobicContact CB-CD2 4.13Å; V240-L293 HydrophobicContact CG1-CD1 4.34Å; V240-L293 HydrophobicContact CG1-CD2 3.89Å; Y242-L293 HydrophobicContact CD1-CD1 4.42Å; Y242-L293 HydrophobicContact CD1-CD2 3.79Å; Y242-L293 HydrophobicContact CE1-CD2 3.96Å; Y242-L293 HydrophobicContact CG-CD1 4.16Å; Y242-L293 HydrophobicContact CG-CD2 4.34Å; V253-L293 HydrophobicContact CB-CD2 4.45Å; V253-L293 HydrophobicContact CG1-CD2 4.49Å; F291-L293 HydrophobicContact CD2-CD2 3.75Å; F291-L293 HydrophobicContact CD2-CG 3.86Å; F291-L293 HydrophobicContact CE2-CD1 4.1Å; F291-L293 HydrophobicContact CE2-CD2 4.11Å; F291-L293 HydrophobicContact CE2-CG 3.87Å; L293-L295 PolarHBondContact O-N 3.1Å; L293-F316 HydrophobicContact CD1-CB 4.46Å; L293-F316 HydrophobicContact CD1-CD1 4.32Å; L293-F316 HydrophobicContact CD1-CG 4.31Å
294C87.3Confident81.5Confident97 Ų9754 Ų5466%0.65533%0.329SS*.EExtended strand (participates in β ladder)trans-76.1118175.5-61.50000110.6P296C294-P296 WeakPolarHBondContact O-CD 3.15Å
295L86.3Confident80.5Confident20 Ų2056.4 Ų56.411%0.10534%0.343CS..PPolyproline II helixtrans-93.8123.6177-54.7-170.2000111.3L187 A221 V223 F244 L293 I314L187-L295 HydrophobicContact CD2-CD1 3.48Å; L187-L295 VanDerWaalsContact CD2-CD1 3.48Å; A221-L295 HydrophobicContact CB-CD1 4.21Å; A221-L295 WeakPolarHBondContact O-CB 3.5Å; V223-L295 HydrophobicContact CG2-CD1 3.99Å; V223-L295 HydrophobicContact CG2-CD2 4.35Å; V223-L295 HydrophobicContact CG2-CG 4.38Å; F244-L295 HydrophobicContact CE1-CD2 3.95Å; F244-L295 HydrophobicContact CZ-CD2 4.04Å; L293-L295 PolarHBondContact O-N 3.1Å; L295-I314 HydrophobicContact CD1-CD1 3.81Å; L295-I314 HydrophobicContact CD2-CD1 3.89Å; L295-I314 HydrophobicContact CG-CD1 4.5Å
296P82.1Confident79Confident62 Ų6257 Ų5740%0.40335%0.353SS..PPolyproline II helixtrans-52.4131.9171.3-28.833.3000112.4F244 C294 G298 L299F244-P296 HydrophobicContact CE2-CG 3.96Å; F244-P296 HydrophobicContact CZ-CG 4.38Å; C294-P296 WeakPolarHBondContact O-CD 3.15Å; P296-G298 PolarHBondContact O-N 3.24Å; P296-L299 HydrophobicContact CB-CD1 4.33Å; P296-L299 HydrophobicContact CB-CG 4.24Å; P296-L299 HydrophobicContact CG-CD1 4.2Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.13Å
297P73.9Confident77.2Confident110 Ų11060.7 Ų60.771%0.71438%0.383SS*.G310 helixtrans-56.2-29.7-176.6-29.335.8000114.8L299 Q300P297-L299 PolarHBondContact O-N 2.85Å; P297-Q300 PolarHBondContact O-N 3.12Å
298G71.5Confident75.2Confident64 Ų6467.7 Ų67.766%0.6642%0.421SS*.G310 helixtrans-70.4-4.6177.300000115.6P296P296-G298 PolarHBondContact O-N 3.24Å
299L75.1Confident73.2Confident32 Ų3266.9 Ų66.917%0.16843%0.43CS..G310 helixtrans-84.5-15171.6-61.5176.3000113.1F244 P296 P297 V312 Y340F244-L299 HydrophobicContact CB-CD2 4.42Å; F244-L299 HydrophobicContact CD1-CD1 3.42Å; F244-L299 VanDerWaalsContact CD1-CD1 3.42Å; F244-L299 HydrophobicContact CD1-CD2 4.47Å; F244-L299 HydrophobicContact CD2-CD1 4.17Å; F244-L299 HydrophobicContact CE1-CD1 3.31Å; F244-L299 HydrophobicContact CE2-CD1 4.08Å; F244-L299 HydrophobicContact CG-CD1 3.85Å; F244-L299 HydrophobicContact CG-CD2 4.4Å; F244-L299 HydrophobicContact CZ-CD1 3.65Å; P296-L299 HydrophobicContact CB-CD1 4.33Å; P296-L299 HydrophobicContact CB-CG 4.24Å; P296-L299 HydrophobicContact CG-CD1 4.2Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.13Å; P297-L299 PolarHBondContact O-N 2.85Å; L299-V312 HydrophobicContact CD2-CG1 3.99Å; L299-Y340 HydrophobicContact CB-CE2 4.46Å; L299-Y340 WeakPolarHBondContact O-CE2 3.43Å
300Q70.8Confident71.6Confident53 Ų5369.2 Ų69.225%0.24844%0.439CS..SBendtrans-73.8133.4177.3-64.9-175.31700109.6P219 A221 P297 Q302P219-Q300 PolarHBondContact O-NE2 2.95Å; A221-Q300 HydrophobicContact CB-CG 4.49Å; P297-Q300 PolarHBondContact O-N 3.12Å; Q300-Q302 PolarHBondContact O-N 2.73Å; Q300-Q302 VanDerWaalsContact O-N 3.12Å
301P67.4Low70.3Confident35 Ų3572.3 Ų72.323%0.22745%0.452CS..PPolyproline II helixtrans-58.8117.4179.4-30.237.9000113.6A185 W310 Y340A185-P301 HydrophobicContact CB-CB 4.04Å; A185-P301 HydrophobicContact CB-CG 3.71Å; P301-W310 VanDerWaalsContact CA-CH2 3.44Å; P301-W310 VanDerWaalsContact CA-CZ3 3.42Å; P301-W310 HydrophobicContact CB-CD2 4.17Å; P301-W310 HydrophobicContact CB-CE3 3.89Å; P301-W310 HydrophobicContact CB-CH2 3.73Å; P301-W310 HydrophobicContact CB-CZ2 3.91Å; P301-W310 HydrophobicContact CB-CZ3 3.73Å; P301-W310 HydrophobicContact CG-CD2 4.47Å; P301-W310 HydrophobicContact CG-CE3 4.03Å; P301-W310 HydrophobicContact CG-CZ3 4.22Å; P301-Y340 HydrophobicContact CG-CD1 4.3Å; P301-Y340 HydrophobicContact CG-CD2 4.36Å; P301-Y340 HydrophobicContact CG-CG 3.92Å
302Q62Low69.5Low136 Ų13674.2 Ų74.264%0.63646%0.464SS*.PPolyproline II helixtrans-73.4153.5175.8-62.7-168.837.300112.1Q300 G304 W310Q300-Q302 PolarHBondContact O-N 2.73Å; Q300-Q302 VanDerWaalsContact O-N 3.12Å; Q302-G304 PolarHBondContact O-N 3.4Å; Q302-G304 VanDerWaalsContact O-N 3.15Å; Q302-W310 HydrophobicContact CB-CH2 4.46Å
303E56.3Low69.2Low167 Ų16772.6 Ų72.678%0.7845%0.453SS*.THydrogen-bonded Turntrans-76.6100.4-176.2-172164.8-143.500111
304G57.5Low69.2Low78 Ų7872.6 Ų72.680%0.80445%0.454SS*.THydrogen-bonded Turntrans135.2-19.1171.900000115.8Q302Q302-G304 PolarHBondContact O-N 3.4Å; Q302-G304 VanDerWaalsContact O-N 3.15Å
305D57.9Low69.6Low95 Ų9569.1 Ų69.151%0.50843%0.427SS..  trans-73138.2-176.2-109.6-34.4000112.6W310 R342D305-W310 HydrophobicContact CB-CH2 3.51Å; D305-W310 HydrophobicContact CB-CZ2 3.08Å; D305-W310 PolarHBondContact O-NE1 2.84Å; D305-R342 PolarHBondContact O-NH2 3.13Å
306A55.7Low70.1Confident63 Ų6368.1 Ų68.152%0.52142%0.422SS..  trans-60.5154.6-166.900000114D308 A309 W310A306-D308 PolarHBondContact O-N 2.86Å; A306-D308 VanDerWaalsContact O-N 3.13Å; A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.95Å; A306-W310 PolarHBondContact O-NE1 2.79Å
307A53.9Low70.9Confident77 Ų7765.3 Ų65.364%0.63640%0.404SS*.G310 helixtrans-54.5-36.6-17300000114.2A309A307-A309 VanDerWaalsContact C-N 3.34Å; A307-A309 PolarHBondContact O-N 3.45Å
308D51Low72Confident159 Ų15960 Ų6085%0.8537%0.37SS*.G310 helixtrans-82.2-5.4-177.3-49-66.4000114.3A306 W310A306-D308 PolarHBondContact O-N 2.86Å; A306-D308 VanDerWaalsContact O-N 3.13Å; D308-W310 VanDerWaalsContact C-N 3.27Å; D308-W310 PolarHBondContact O-N 3.47Å
309A50.8Low73.3Confident54 Ų5457.1 Ų57.145%0.44634%0.339SS..G310 helixtrans-81.11.7-174.200000114.8A306 A307A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.95Å; A307-A309 VanDerWaalsContact C-N 3.34Å; A307-A309 PolarHBondContact O-N 3.45Å
310W61.6Low74.3Confident51 Ų5155.6 Ų55.619%0.19333%0.331CS..  trans-117.617.1-156.9-59.6102.9000116.7P301 Q302 D305 A306 D308 V312P301-W310 VanDerWaalsContact CA-CH2 3.44Å; P301-W310 VanDerWaalsContact CA-CZ3 3.42Å; P301-W310 HydrophobicContact CB-CD2 4.17Å; P301-W310 HydrophobicContact CB-CE3 3.89Å; P301-W310 HydrophobicContact CB-CH2 3.73Å; P301-W310 HydrophobicContact CB-CZ2 3.91Å; P301-W310 HydrophobicContact CB-CZ3 3.73Å; P301-W310 HydrophobicContact CG-CD2 4.47Å; P301-W310 HydrophobicContact CG-CE3 4.03Å; P301-W310 HydrophobicContact CG-CZ3 4.22Å; Q302-W310 HydrophobicContact CB-CH2 4.46Å; D305-W310 HydrophobicContact CB-CH2 3.51Å; D305-W310 HydrophobicContact CB-CZ2 3.08Å; D305-W310 PolarHBondContact O-NE1 2.84Å; A306-W310 PolarHBondContact O-NE1 2.79Å; D308-W310 VanDerWaalsContact C-N 3.27Å; D308-W310 PolarHBondContact O-N 3.47Å; W310-V312 PolarHBondContact O-N 3.15Å
311D69Low75.6Confident112 Ų11258 Ų5860%0.59934%0.338SS*.  trans-76.751.9172.8-159.114.3000112.8A313 R339D311-A313 PolarHBondContact O-N 3.43Å; D311-R339 VanDerWaalsContact CG-NH2 3.25Å; D311-R339 IonicContact OD1-CZ 2.63Å; D311-R339 IonicContact OD1-NE 2.93Å; D311-R339 PolarHBondContact OD1-NE 2.86Å; D311-R339 IonicContact OD1-NH2 3.8Å; D311-R339 PolarHBondContact OD1-NH2 2.81Å; D311-R339 IonicContact OD2-NH2 2.63Å; D311-R339 PolarHBondContact OD2-NH2 3.32Å
312V79.6Confident76.9Confident55 Ų5557.1 Ų57.133%0.33333%0.333SS..  trans-88.291.5170.7-178.40000107.4L299 W310L299-V312 HydrophobicContact CD2-CG1 3.99Å; W310-V312 PolarHBondContact O-N 3.15Å
313A89.4Confident78.3Confident4 Ų456.9 Ų56.93%0.03333%0.332CS..  trans-80.3145.4172.500000111.3D311 H315 T337 R339D311-A313 PolarHBondContact O-N 3.43Å; A313-H315 VanDerWaalsContact CB-NE2 3.28Å; A313-H315 WeakPolarHBondContact CB-NE2 3.26Å; A313-T337 HydrophobicContact CB-CG2 4.19Å; A313-R339 HydrophobicContact CB-CG 4.38Å
314I93.3Very high79.9Confident1 Ų152.8 Ų52.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-109.3113.2168.5-46.9176.9000106.7L187 F244 L295 T337 L338L187-I314 HydrophobicContact CD1-CD1 3.81Å; L187-I314 HydrophobicContact CD2-CD1 4.13Å; F244-I314 HydrophobicContact CD1-CB 4.29Å; F244-I314 HydrophobicContact CD1-CG1 3.95Å; F244-I314 HydrophobicContact CD1-CG2 3.85Å; F244-I314 HydrophobicContact CE1-CB 4.33Å; F244-I314 HydrophobicContact CE1-CD1 4.12Å; F244-I314 HydrophobicContact CE1-CG1 4.01Å; F244-I314 HydrophobicContact CE1-CG2 3.56Å; L295-I314 HydrophobicContact CD1-CD1 3.81Å; L295-I314 HydrophobicContact CD2-CD1 3.89Å; L295-I314 HydrophobicContact CG-CD1 4.5Å; I314-T337 CarbonylContact O-C 3.5Å; I314-T337 WeakPolarHBondContact O-CA 3.2Å; I314-L338 HydrophobicContact CB-CB 4.15Å; I314-L338 PolarHBondContact N-O 3.02Å; I314-L338 PolarHBondContact O-N 3.36Å
315H95.9Very high81.6Confident23 Ų2350.7 Ų50.711%0.10629%0.291CS..EExtended strand (participates in β ladder)trans-104.4141.9176.7-57.5-79000110.4Y242 T243 E246 W247 A313 N335 Y336 T337Y242-H315 CarbonylContact C-O 3.49Å; Y242-H315 WeakPolarHBondContact CA-O 3.45Å; T243-H315 HydrophobicContact CG2-CB 3.76Å; T243-H315 PolarHBondContact N-O 3.3Å; T243-H315 PolarHBondContact O-N 3.03Å; T243-H315 VanDerWaalsContact O-N 3.14Å; E246-H315 IonicContact OE1-CD2 3.97Å; E246-H315 IonicContact OE1-NE2 2.8Å; E246-H315 PolarHBondContact OE1-NE2 3.22Å; E246-H315 IonicContact OE2-NE2 3.77Å; W247-H315 HydrophobicContact CZ2-CB 3.84Å; A313-H315 VanDerWaalsContact CB-NE2 3.28Å; A313-H315 WeakPolarHBondContact CB-NE2 3.26Å; H315-N335 HydrophobicContact CB-CB 4.37Å; H315-Y336 CarbonylContact C-O 3.59Å; H315-Y336 WeakPolarHBondContact CA-O 3.47Å; H315-T337 VanDerWaalsContact CE1-CG2 3.44Å; H315-T337 WeakPolarHBondContact CE1-CG2 3.45Å; H315-T337 PolarHBondContact CE1-OG1 2.84Å; H315-T337 VanDerWaalsContact CE1-OG1 3.28Å; H315-T337 PolarHBondContact ND1-OG1 3.28Å
316F97.7Very high83.5Confident0 Ų050.7 Ų50.70%029%0.288CS..EExtended strand (participates in β ladder)trans-143162169.771.2-88.6000113.6L210 V213 V240 R241 F291 L293 Y336 L338L210-F316 HydrophobicContact CD2-CE2 3.69Å; L210-F316 HydrophobicContact CD2-CZ 3.95Å; V213-F316 HydrophobicContact CG1-CZ 4.3Å; V213-F316 HydrophobicContact CG2-CZ 3.95Å; V240-F316 HydrophobicContact CG1-CB 4.03Å; V240-F316 HydrophobicContact CG1-CD2 3.66Å; V240-F316 HydrophobicContact CG1-CE2 4.48Å; V240-F316 HydrophobicContact CG1-CG 4.18Å; R241-F316 CarbonylContact O-C 3.54Å; R241-F316 WeakPolarHBondContact O-CA 3.2Å; R241-F316 VanDerWaalsContact O-CB 3.3Å; R241-F316 WeakPolarHBondContact O-CB 3.46Å; F291-F316 HydrophobicContact CE2-CE2 4.37Å; F291-F316 AromaticContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CZ 4.24Å; L293-F316 HydrophobicContact CD1-CB 4.46Å; L293-F316 HydrophobicContact CD1-CD1 4.32Å; L293-F316 HydrophobicContact CD1-CG 4.31Å; F316-Y336 WeakPolarHBondContact CD1-O 3.35Å; F316-Y336 HydrophobicContact CD2-CD2 4.26Å; F316-Y336 HydrophobicContact CD2-CG 4.41Å; F316-Y336 HydrophobicContact CE2-CD2 4.05Å; F316-Y336 AromaticContact CE2-CG 3.99Å; F316-Y336 HydrophobicContact CE2-CG 3.99Å; F316-Y336 VanDerWaalsContact CZ-CB 3.44Å; F316-Y336 HydrophobicContact CZ-CG 4.11Å; F316-Y336 PolarHBondContact N-O 3.33Å; F316-Y336 WeakPolarHBondContact O-CB 3.45Å; F316-Y336 PolarHBondContact O-N 3.13Å; F316-L338 HydrophobicContact CE1-CD1 4.15Å; F316-L338 HydrophobicContact CE1-CD2 4.19Å; F316-L338 HydrophobicContact CE1-CG 4.13Å
317A97.9Very high85.5Confident2 Ų250.5 Ų50.52%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-142.8150.1173.800000109.4R241 W247 W328 D329 N330R241-A317 PolarHBondContact N-O 3.2Å; R241-A317 PolarHBondContact O-N 3.39Å; W247-A317 HydrophobicContact CH2-CB 4Å; A317-W328 HydrophobicContact CB-CE3 4.05Å; A317-W328 HydrophobicContact CB-CZ3 4.17Å; A317-D329 CarbonylContact C-O 3.58Å; A317-D329 WeakPolarHBondContact CA-O 3.22Å; A317-N330 HydrophobicContact CB-CB 3.96Å
318V98.1Very high87.5Confident0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-99.9127.8178.2-168.20000109.6V208 L210 V238 V240 F289 W328 D329V208-V318 HydrophobicContact CG2-CB 4.14Å; V208-V318 HydrophobicContact CG2-CG1 3.77Å; L210-V318 HydrophobicContact CD1-CG2 4.34Å; V238-V318 HydrophobicContact CG1-CG1 3.52Å; V240-V318 HydrophobicContact CG2-CG1 4.41Å; V240-V318 HydrophobicContact CG2-CG2 4.31Å; F289-V318 HydrophobicContact CE1-CG1 4.49Å; F289-V318 HydrophobicContact CE2-CG1 3.95Å; F289-V318 HydrophobicContact CE2-CG2 4.44Å; F289-V318 HydrophobicContact CZ-CG1 3.77Å; F289-V318 HydrophobicContact CZ-CG2 4.27Å; V318-W328 WeakPolarHBondContact O-CA 3.26Å; V318-D329 HydrophobicContact CB-CB 4.28Å; V318-D329 PolarHBondContact N-O 3.18Å; V318-D329 PolarHBondContact O-N 3.22Å
319C97.9Very high89.7Confident2 Ų242.5 Ų42.51%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-104.7130.8173.1176.60000109.3V238 T239 E326 Y327 W328V238-C319 CarbonylContact C-O 3.56Å; V238-C319 WeakPolarHBondContact CA-O 3.43Å; T239-C319 PolarHBondContact N-O 2.63Å; T239-C319 WeakPolarHBondContact O-CB 3.5Å; T239-C319 PolarHBondContact O-N 3.02Å; C319-E326 VanDerWaalsContact SG-CG 3.56Å; C319-Y327 CarbonylContact C-O 3.52Å; C319-Y327 WeakPolarHBondContact CA-O 3.4Å; C319-W328 HydrophobicContact CB-CD2 4.13Å; C319-W328 HydrophobicContact CB-CE3 3.95Å; C319-W328 HydrophobicContact CB-CH2 3.63Å; C319-W328 HydrophobicContact CB-CZ2 3.81Å; C319-W328 HydrophobicContact CB-CZ3 3.71Å
320Y97.6Very high91.9Very high0 Ų042.7 Ų42.70%021%0.209CC..EExtended strand (participates in β ladder)trans-114.8132167.8175.4-126.6000109.8R207 V229 I230 Y232 R236 A237 V238 C322 E326 Y327R207-Y320 HydrophobicContact CB-CD1 4.27Å; V229-Y320 HydrophobicContact CB-CD1 4.16Å; V229-Y320 HydrophobicContact CB-CD2 4.03Å; V229-Y320 HydrophobicContact CB-CE1 4.18Å; V229-Y320 HydrophobicContact CB-CE2 4.03Å; V229-Y320 HydrophobicContact CB-CG 4.09Å; V229-Y320 HydrophobicContact CG1-CD1 4.25Å; V229-Y320 HydrophobicContact CG1-CD2 3.75Å; V229-Y320 HydrophobicContact CG1-CE2 4.24Å; V229-Y320 HydrophobicContact CG1-CG 3.75Å; V229-Y320 HydrophobicContact CG2-CD2 4.24Å; V229-Y320 HydrophobicContact CG2-CE2 3.89Å; I230-Y320 WeakPolarHBondContact O-CE1 3.43Å; I230-Y320 PolarHBondContact O-OH 2.85Å; Y232-Y320 HydrophobicContact CD2-CE1 4.36Å; R236-Y320 HydrophobicContact CB-CE2 4.21Å; R236-Y320 HydrophobicContact CG-CE2 4.46Å; A237-Y320 WeakPolarHBondContact O-CD2 3.44Å; V238-Y320 HydrophobicContact CG2-CD2 3.67Å; V238-Y320 HydrophobicContact CG2-CE2 4.41Å; V238-Y320 HydrophobicContact CG2-CG 4.48Å; Y320-C322 HydrophobicContact CE1-CB 4.09Å; Y320-C322 HydrophobicContact CE2-CB 4.45Å; Y320-E326 WeakPolarHBondContact O-CA 3.15Å; Y320-Y327 HydrophobicContact CD1-CD2 4.01Å; Y320-Y327 PolarHBondContact N-O 2.94Å; Y320-Y327 PolarHBondContact O-N 3.03Å
321R96.8Very high93.4Very high103 Ų10341.9 Ų41.939%0.38921%0.208SC..EExtended strand (participates in β ladder)trans-122.9131.6177-68.1176.9-179.8147.74.8110R236 A237 E326R236-R321 WeakPolarHBondContact CA-O 3.28Å; A237-R321 PolarHBondContact N-O 2.93Å; A237-R321 PolarHBondContact O-N 3.24Å; R321-E326 HydrophobicContact CG-CB 4.29Å; R321-E326 HydrophobicContact CG-CG 3.98Å; R321-E326 IonicContact CZ-OE1 3.15Å; R321-E326 IonicContact NE-OE1 2.73Å; R321-E326 PolarHBondContact NE-OE1 3.15Å; R321-E326 IonicContact NH2-OE1 2.71Å; R321-E326 PolarHBondContact NH2-OE1 3.37Å
322C94.2Very high94.4Very high18 Ų1844 Ų4412%0.12222%0.215CC..EExtended strand (participates in β ladder)trans-148.5-178.4172.7590000109.6Y320 Q324 G325Y320-C322 HydrophobicContact CE1-CB 4.09Å; Y320-C322 HydrophobicContact CE2-CB 4.45Å; C322-Q324 PolarHBondContact O-N 2.89Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; C322-Q324 PolarHBondContact SG-OE1 3.05Å; C322-G325 PolarHBondContact N-O 3.35Å; C322-G325 VanDerWaalsContact N-O 3.11Å; C322-G325 PolarHBondContact O-N 3.19Å; C322-G325 VanDerWaalsContact O-N 3.11Å
323E91.6Very high95Very high130 Ų13043.5 Ų43.561%0.60722%0.221SC*.THydrogen-bonded Turntrans-59.5-23.3-179.2-58.6-170.7163.700113.5G234 P235G234-E323 WeakPolarHBondContact CA-OE1 3.43Å; P235-E323 VanDerWaalsContact CD-OE1 3.28Å; P235-E323 WeakPolarHBondContact CD-OE1 3.31Å; P235-E323 HydrophobicContact CG-CG 4.43Å
324Q90.6Very high95.1Very high82 Ų8245.7 Ų45.738%0.38324%0.243SC..THydrogen-bonded Turntrans-83.6-12.8-177.9-61.268.528.700112.9Y232 C322 Y327Y232-Q324 VanDerWaalsContact CB-CD 3.48Å; Y232-Q324 HydrophobicContact CD1-CG 4.13Å; Y232-Q324 HydrophobicContact CE1-CG 4.49Å; Y232-Q324 HydrophobicContact CG-CG 4.15Å; Y232-Q324 VanDerWaalsContact CG-OE1 3.27Å; C322-Q324 PolarHBondContact O-N 2.89Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; C322-Q324 PolarHBondContact SG-OE1 3.05Å; Q324-Y327 HydrophobicContact CB-CE2 4.44Å; Q324-Y327 WeakPolarHBondContact CB-OH 3.41Å; Q324-Y327 PolarHBondContact O-OH 3.24Å
325G94.1Very high95.1Very high33 Ų3347.2 Ų47.234%0.3425%0.252SS..EExtended strand (participates in β ladder)trans142.5-163.9174.800000115C322C322-G325 PolarHBondContact N-O 3.35Å; C322-G325 VanDerWaalsContact N-O 3.11Å; C322-G325 PolarHBondContact O-N 3.19Å; C322-G325 VanDerWaalsContact O-N 3.11Å
326E96.8Very high95.2Very high95 Ų9546.1 Ų46.144%0.44425%0.246SC..EExtended strand (participates in β ladder)trans-108.2130.7171-174.4179.5-10100109.4C319 Y320 R321 W328C319-E326 VanDerWaalsContact SG-CG 3.56Å; Y320-E326 WeakPolarHBondContact O-CA 3.15Å; R321-E326 HydrophobicContact CG-CB 4.29Å; R321-E326 HydrophobicContact CG-CG 3.98Å; R321-E326 IonicContact CZ-OE1 3.15Å; R321-E326 IonicContact NE-OE1 2.73Å; R321-E326 PolarHBondContact NE-OE1 3.15Å; R321-E326 IonicContact NH2-OE1 2.71Å; R321-E326 PolarHBondContact NH2-OE1 3.37Å; E326-W328 VanDerWaalsContact CD-NE1 3.29Å; E326-W328 PolarHBondContact OE2-NE1 2.85Å
327Y97.3Very high95.1Very high59 Ų5946.9 Ų46.923%0.23125%0.251CS..EExtended strand (participates in β ladder)trans-125.1139.7-179.2-57.4-83000110.7H206 R207 C319 Y320 Q324H206-Y327 VanDerWaalsContact O-CB 3.23Å; H206-Y327 WeakPolarHBondContact O-CB 3.37Å; R207-Y327 HydrophobicContact CB-CD1 4.19Å; R207-Y327 HydrophobicContact CB-CD2 3.98Å; R207-Y327 HydrophobicContact CB-CE1 4.47Å; R207-Y327 HydrophobicContact CB-CE2 4.26Å; R207-Y327 HydrophobicContact CB-CG 3.94Å; R207-Y327 HydrophobicContact CG-CD1 3.86Å; R207-Y327 HydrophobicContact CG-CD2 4.2Å; R207-Y327 HydrophobicContact CG-CE1 3.72Å; R207-Y327 HydrophobicContact CG-CE2 4.05Å; R207-Y327 HydrophobicContact CG-CG 4.1Å; C319-Y327 CarbonylContact C-O 3.52Å; C319-Y327 WeakPolarHBondContact CA-O 3.4Å; Y320-Y327 HydrophobicContact CD1-CD2 4.01Å; Y320-Y327 PolarHBondContact N-O 2.94Å; Y320-Y327 PolarHBondContact O-N 3.03Å; Q324-Y327 HydrophobicContact CB-CE2 4.44Å; Q324-Y327 WeakPolarHBondContact CB-OH 3.41Å; Q324-Y327 PolarHBondContact O-OH 3.24Å
328W97.1Very high94.8Very high68 Ų6846.8 Ų46.826%0.25825%0.25SS..EExtended strand (participates in β ladder)trans-120.6128.3-175.8-73.587.9000112.2R241 A317 V318 C319 E326R241-W328 HydrophobicContact CB-CH2 4.22Å; R241-W328 HydrophobicContact CB-CZ3 4.1Å; A317-W328 HydrophobicContact CB-CE3 4.05Å; A317-W328 HydrophobicContact CB-CZ3 4.17Å; V318-W328 WeakPolarHBondContact O-CA 3.26Å; C319-W328 HydrophobicContact CB-CD2 4.13Å; C319-W328 HydrophobicContact CB-CE3 3.95Å; C319-W328 HydrophobicContact CB-CH2 3.63Å; C319-W328 HydrophobicContact CB-CZ2 3.81Å; C319-W328 HydrophobicContact CB-CZ3 3.71Å; E326-W328 VanDerWaalsContact CD-NE1 3.29Å; E326-W328 PolarHBondContact OE2-NE1 2.85Å
329D97.2Very high94.4Very high0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-100.596.5159-169.5-10.5000109.7R202 V208 C209 L210 A317 V318 N331 Y336R202-D329 IonicContact CZ-OD1 2.72Å; R202-D329 IonicContact CZ-OD2 2.95Å; R202-D329 IonicContact NE-OD1 3.8Å; R202-D329 PolarHBondContact NE-OD1 3.47Å; R202-D329 IonicContact NE-OD2 3.88Å; R202-D329 PolarHBondContact NE-OD2 2.98Å; R202-D329 IonicContact NH2-OD1 3.69Å; R202-D329 PolarHBondContact NH2-OD1 3.48Å; V208-D329 HydrophobicContact CG1-CB 4.04Å; V208-D329 HydrophobicContact CG2-CB 4.26Å; C209-D329 VanDerWaalsContact CA-OD2 3.3Å; C209-D329 WeakPolarHBondContact CA-OD2 3.43Å; L210-D329 PolarHBondContact N-OD2 3.36Å; A317-D329 CarbonylContact C-O 3.58Å; A317-D329 WeakPolarHBondContact CA-O 3.22Å; V318-D329 HydrophobicContact CB-CB 4.28Å; V318-D329 PolarHBondContact N-O 3.18Å; V318-D329 PolarHBondContact O-N 3.22Å; D329-N331 PolarHBondContact OD1-N 3Å; D329-N331 VanDerWaalsContact OD1-N 3.13Å; D329-Y336 WeakPolarHBondContact OD1-CE2 3.23Å; D329-Y336 PolarHBondContact OD1-OH 2.96Å; D329-Y336 PolarHBondContact OD2-OH 3.39Å
330N95.8Very high93.8Very high59 Ų5951.8 Ų51.832%0.31627%0.269SS..SBendtrans-110.331.2176.168.2-10.5000112.2A317 E332 G333 G334 N335A317-N330 HydrophobicContact CB-CB 3.96Å; N330-E332 PolarHBondContact O-N 3.03Å; N330-G333 CarbonylContact O-C 3.5Å; N330-G333 PolarHBondContact O-N 2.91Å; N330-G333 PolarHBondContact OD1-N 2.96Å; N330-G333 VanDerWaalsContact OD1-N 3.16Å; N330-G334 PolarHBondContact O-N 2.71Å; N330-N335 VanDerWaalsContact O-CA 3.26Å; N330-N335 WeakPolarHBondContact O-CA 3.29Å; N330-N335 PolarHBondContact O-N 2.89Å
331N94.3Very high93Very high34 Ų3453 Ų5318%0.18228%0.276CS..G310 helixtrans49.252.5-176.9-164.628.7000113.6D329 G333 G334 N335 Y336D329-N331 PolarHBondContact OD1-N 3Å; D329-N331 VanDerWaalsContact OD1-N 3.13Å; N331-G333 PolarHBondContact O-N 3.38Å; N331-G333 VanDerWaalsContact O-N 3.12Å; N331-G334 PolarHBondContact O-N 3.35Å; N331-N335 VanDerWaalsContact CB-C 3.49Å; N331-N335 WeakPolarHBondContact CB-O 2.92Å; N331-N335 PolarHBondContact ND2-O 3.33Å; N331-Y336 HydrophobicContact CB-CD1 3.99Å; N331-Y336 HydrophobicContact CB-CD2 4.26Å; N331-Y336 HydrophobicContact CB-CE1 3.71Å; N331-Y336 HydrophobicContact CB-CE2 4Å; N331-Y336 HydrophobicContact CB-CG 4.26Å
332E90.4Very high91.9Very high156 Ų15651.6 Ų51.673%0.72927%0.271SS*.G310 helixtrans54.628.8-177.3-68171.6-157.800114.2R202 N330R202-E332 IonicContact NH1-OE1 2.9Å; R202-E332 PolarHBondContact NH1-OE1 3.23Å; N330-E332 PolarHBondContact O-N 3.03Å
333G90.9Very high90.4Very high45 Ų4554.5 Ų54.546%0.46429%0.292SS..G310 helixtrans92.3-10.7-176.500000114.8N330 N331 N335N330-G333 CarbonylContact O-C 3.5Å; N330-G333 PolarHBondContact O-N 2.91Å; N330-G333 PolarHBondContact OD1-N 2.96Å; N330-G333 VanDerWaalsContact OD1-N 3.16Å; N331-G333 PolarHBondContact O-N 3.38Å; N331-G333 VanDerWaalsContact O-N 3.12Å; G333-N335 VanDerWaalsContact C-N 3.32Å
334G91.1Very high88.9Confident49 Ų4952.9 Ų52.951%0.50529%0.291SS..THydrogen-bonded Turntrans-77.5-14.1175.300000114.7N330 N331N330-G334 PolarHBondContact O-N 2.71Å; N331-G334 PolarHBondContact O-N 3.35Å
335N95Very high87.2Confident33 Ų3352.7 Ų52.718%0.17629%0.292CS..  trans58.8167.2-170.1-53.2-68.7000114.4W247 H315 N330 N331 G333 T337W247-N335 HydrophobicContact CZ2-CB 4.19Å; W247-N335 WeakPolarHBondContact CZ2-OD1 3.35Å; H315-N335 HydrophobicContact CB-CB 4.37Å; N330-N335 VanDerWaalsContact O-CA 3.26Å; N330-N335 WeakPolarHBondContact O-CA 3.29Å; N330-N335 PolarHBondContact O-N 2.89Å; N331-N335 VanDerWaalsContact CB-C 3.49Å; N331-N335 WeakPolarHBondContact CB-O 2.92Å; N331-N335 PolarHBondContact ND2-O 3.33Å; G333-N335 VanDerWaalsContact C-N 3.32Å; N335-T337 PolarHBondContact O-N 2.81Å
336Y96.6Very high85.1Confident0 Ų057.1 Ų57.10%032%0.315CS..EExtended strand (participates in β ladder)trans-90.4101.6169.8-65.7-67.1000109.3F191 L193 L210 H315 F316 D329 N331F191-Y336 HydrophobicContact CD1-CD1 4.1Å; F191-Y336 AromaticContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CE1 4.05Å; F191-Y336 HydrophobicContact CE1-CD1 4.03Å; F191-Y336 HydrophobicContact CE1-CG 4.45Å; F191-Y336 AromaticContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CE1 4.12Å; F191-Y336 AromaticContact CG-CD1 3.89Å; F191-Y336 HydrophobicContact CG-CD1 3.89Å; F191-Y336 AromaticContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CG 4.4Å; L193-Y336 HydrophobicContact CD2-CE1 4.48Å; L210-Y336 HydrophobicContact CB-CE1 4.43Å; L210-Y336 HydrophobicContact CB-CE2 3.93Å; L210-Y336 HydrophobicContact CD2-CD1 3.68Å; L210-Y336 HydrophobicContact CD2-CD2 3.65Å; L210-Y336 HydrophobicContact CD2-CE1 3.71Å; L210-Y336 HydrophobicContact CD2-CE2 3.66Å; L210-Y336 HydrophobicContact CD2-CG 3.65Å; L210-Y336 HydrophobicContact CG-CE2 4.48Å; H315-Y336 CarbonylContact C-O 3.59Å; H315-Y336 WeakPolarHBondContact CA-O 3.47Å; F316-Y336 WeakPolarHBondContact CD1-O 3.35Å; F316-Y336 HydrophobicContact CD2-CD2 4.26Å; F316-Y336 HydrophobicContact CD2-CG 4.41Å; F316-Y336 HydrophobicContact CE2-CD2 4.05Å; F316-Y336 AromaticContact CE2-CG 3.99Å; F316-Y336 HydrophobicContact CE2-CG 3.99Å; F316-Y336 VanDerWaalsContact CZ-CB 3.44Å; F316-Y336 HydrophobicContact CZ-CG 4.11Å; F316-Y336 PolarHBondContact N-O 3.33Å; F316-Y336 WeakPolarHBondContact O-CB 3.45Å; F316-Y336 PolarHBondContact O-N 3.13Å; D329-Y336 WeakPolarHBondContact OD1-CE2 3.23Å; D329-Y336 PolarHBondContact OD1-OH 2.96Å; D329-Y336 PolarHBondContact OD2-OH 3.39Å; N331-Y336 HydrophobicContact CB-CD1 3.99Å; N331-Y336 HydrophobicContact CB-CD2 4.26Å; N331-Y336 HydrophobicContact CB-CE1 3.71Å; N331-Y336 HydrophobicContact CB-CE2 4Å; N331-Y336 HydrophobicContact CB-CG 4.26Å
337T95.4Very high82.5Confident16 Ų1663 Ų6310%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-100129-173.6-56.30000111.7F190 F191 A313 I314 H315 N335F190-T337 HydrophobicContact CB-CG2 4.38Å; F190-T337 PolarHBondContact N-O 2.79Å; F191-T337 VanDerWaalsContact CD1-N 3.27Å; F191-T337 WeakPolarHBondContact CD1-O 3.43Å; F191-T337 WeakPolarHBondContact CE1-O 3.48Å; A313-T337 HydrophobicContact CB-CG2 4.19Å; I314-T337 CarbonylContact O-C 3.5Å; I314-T337 WeakPolarHBondContact O-CA 3.2Å; H315-T337 VanDerWaalsContact CE1-CG2 3.44Å; H315-T337 WeakPolarHBondContact CE1-CG2 3.45Å; H315-T337 PolarHBondContact CE1-OG1 2.84Å; H315-T337 VanDerWaalsContact CE1-OG1 3.28Å; H315-T337 PolarHBondContact ND1-OG1 3.28Å; N335-T337 PolarHBondContact O-N 2.81Å
338L92.9Very high81.8Confident0 Ų063.3 Ų63.30%036%0.355CS..EExtended strand (participates in β ladder)trans-115.2144171.3-43.6172.6000109.7L187 R188 P189 F191 V213 V223 I314 F316L187-L338 HydrophobicContact CD1-CB 3.82Å; L187-L338 HydrophobicContact CD2-CB 4.5Å; L187-L338 HydrophobicContact CD2-CD1 4.08Å; L187-L338 HydrophobicContact CG-CB 4.14Å; R188-L338 WeakPolarHBondContact O-CA 3.37Å; P189-L338 HydrophobicContact CB-CD2 4.01Å; F191-L338 HydrophobicContact CE1-CD2 3.78Å; F191-L338 HydrophobicContact CZ-CD2 4.33Å; V213-L338 HydrophobicContact CG1-CD2 4.36Å; V223-L338 HydrophobicContact CB-CD1 4.2Å; V223-L338 HydrophobicContact CG1-CD1 3.69Å; V223-L338 HydrophobicContact CG2-CD1 3.47Å; V223-L338 VanDerWaalsContact CG2-CD1 3.47Å; I314-L338 HydrophobicContact CB-CB 4.15Å; I314-L338 PolarHBondContact N-O 3.02Å; I314-L338 PolarHBondContact O-N 3.36Å; F316-L338 HydrophobicContact CE1-CD1 4.15Å; F316-L338 HydrophobicContact CE1-CD2 4.19Å; F316-L338 HydrophobicContact CE1-CG 4.13Å
339R89.6Confident81Confident76 Ų7663 Ų6329%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-136.8150.3175.5-81.7-179.3165.3135.1-7.1110.8R188 D311 A313R188-R339 PolarHBondContact N-O 3.04Å; R188-R339 PolarHBondContact O-N 3.19Å; D311-R339 VanDerWaalsContact CG-NH2 3.25Å; D311-R339 IonicContact OD1-CZ 2.63Å; D311-R339 IonicContact OD1-NE 2.93Å; D311-R339 PolarHBondContact OD1-NE 2.86Å; D311-R339 IonicContact OD1-NH2 3.8Å; D311-R339 PolarHBondContact OD1-NH2 2.81Å; D311-R339 IonicContact OD2-NH2 2.63Å; D311-R339 PolarHBondContact OD2-NH2 3.32Å; A313-R339 HydrophobicContact CB-CG 4.38Å
340Y85.1Confident80.1Confident32 Ų3266.5 Ų66.513%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-79.7123.1168.9-75-82.1000110A185 L187 L299 P301A185-Y340 HydrophobicContact CB-CD1 4.17Å; L187-Y340 HydrophobicContact CB-CD1 4.06Å; L187-Y340 HydrophobicContact CB-CE1 3.84Å; L187-Y340 HydrophobicContact CD1-CD1 4.36Å; L187-Y340 HydrophobicContact CD1-CD2 4Å; L187-Y340 HydrophobicContact CD1-CE1 4.3Å; L187-Y340 HydrophobicContact CD1-CE2 3.93Å; L187-Y340 HydrophobicContact CD1-CG 4.21Å; L299-Y340 HydrophobicContact CB-CE2 4.46Å; L299-Y340 WeakPolarHBondContact O-CE2 3.43Å; P301-Y340 HydrophobicContact CG-CD1 4.3Å; P301-Y340 HydrophobicContact CG-CD2 4.36Å; P301-Y340 HydrophobicContact CG-CG 3.92Å
341V81.1Confident79.2Confident24 Ų2466.9 Ų66.915%0.14538%0.383CS..EExtended strand (participates in β ladder)trans-110.7136.7178.2-177.50000108.2A185 Q186 R188 D345A185-V341 WeakPolarHBondContact CA-O 3.34Å; Q186-V341 PolarHBondContact N-O 3.22Å; Q186-V341 PolarHBondContact O-N 3.27Å; R188-V341 HydrophobicContact CB-CG2 4.22Å; R188-V341 HydrophobicContact CG-CG2 4.34Å; V341-D345 HydrophobicContact CG1-CB 3.82Å; V341-D345 WeakPolarHBondContact CG1-OD2 3.39Å
342R73.9Confident78.2Confident75 Ų7569 Ų6928%0.28340%0.396SS..EExtended strand (participates in β ladder)trans-80.1148.5176.1-74.2-178.5160.497.7-0.7109.7D305 T344 D345D305-R342 PolarHBondContact O-NH2 3.13Å; R342-T344 PolarHBondContact O-N 3.09Å; R342-D345 PolarHBondContact N-OD2 2.95Å; R342-D345 PolarHBondContact O-N 2.97Å
343S62.2Low77.4Confident79 Ų7963.2 Ų63.255%0.55237%0.374SS*.THydrogen-bonded Turntrans-66.95.8176.769.80000114.8P183P183-S343 WeakPolarHBondContact CA-OG 3.47Å
344T59.9Low76.4Confident95 Ų9564.5 Ų64.558%0.58337%0.367SS*.THydrogen-bonded Turntrans-106.4-10.3175.649.50000113.2P183 R342P183-T344 HydrophobicContact CB-CG2 4.38Å; P183-T344 HydrophobicContact CG-CG2 4.46Å; R342-T344 PolarHBondContact O-N 3.09Å
345D55.6Low75.3Confident79 Ų7965.7 Ų65.742%0.42236%0.357SS..SBendtrans-74.6133.2179.5-60.2-38.7000109.7V341 R342V341-D345 HydrophobicContact CG1-CB 3.82Å; V341-D345 WeakPolarHBondContact CG1-OD2 3.39Å; R342-D345 PolarHBondContact N-OD2 2.95Å; R342-D345 PolarHBondContact O-N 2.97Å
346P48.2Very low73.7Confident126 Ų12668.4 Ų68.482%0.81837%0.372SS*.  trans-66.4149.4177.428.1-33.9000111.6
347L43.3Very low71.6Confident219 Ų21974.6 Ų74.6100%1.14741%0.406SS*.  trans-78.70179.1-65.4172.3000112.6

Retrieved 347 of 347 residues in 47.5 ms (Link to these results)