A0A087XNW7_POEFO Loading...

Synaptotagmin 6

AlphaFold DB , UniProt , Accession A0A087XNW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 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
1M36Very low36Very low249 Ų249153.5 Ų153.5100%1.22786%0.86SS**  0124.80-81.5176.1170.100107.8
2A39Very low36.1Very low93 Ų93150.1 Ų150.177%0.76985%0.854SS**  trans-65.1149.6176.300000111.1
3T36.3Very low36.4Very low148 Ų148154.5 Ų154.591%0.90887%0.867SS**  -168.2137.4125.932.30000109.8
4E35.2Very low36.4Very low189 Ų189148.4 Ų148.488%0.88386%0.856SS**  trans-62.1147.3-176.4-65.8164.5110.400113.3
5K35.8Very low36.6Very low208 Ų208151.3 Ų151.390%0.90486%0.855SS**  trans-134.6128.5150.9-89.4-167.4176.5-1780110.9
6V35.1Very low36.8Very low131 Ų131152.4 Ų152.479%0.79486%0.857SS**  trans-52.1137.3-177.8175.10000112.2
7K32.2Very low37Very low193 Ų193155 Ų15584%0.83986%0.861SS**  trans-104.9108.2175.4179.5-179.4-178.2-179.80108.1
8D32.8Very low37.3Very low143 Ų143152.1 Ų152.177%0.76586%0.86SS**  trans-104.5137.8160.9-84.8-45.5000109.9
9P37.3Very low37.7Very low112 Ų112148.5 Ų148.573%0.72785%0.851SS**  trans-83.6134.8-16731.1-32.1000113
10V40.5Very low38.3Very low153 Ų153148 Ų14893%0.92785%0.85SS**  trans-54.9135.9154.9171.50000109.6
11G35.7Very low38.5Very low70 Ų70149.8 Ų149.872%0.72285%0.849SS**  trans149.395.6153.600000114.8
12S37.5Very low38.9Very low112 Ų112145.7 Ų145.778%0.78383%0.83SS**  trans136.244145.6-155.20000113.9
13M39.8Very low39.4Very low207 Ų207144.8 Ų144.8100%1.0282%0.818SS**  trans-105.160.1162.8-81.2-157.6-81.100110.2
14G36.5Very low40.1Very low70 Ų70146.9 Ų146.972%0.72282%0.817SS**SBendtrans-139.4-3.5177.600000115.5
15F39.5Very low41Very low191 Ų191144 Ų14484%0.83881%0.813SS**SBendtrans-115.83.5-168.1-137.6-92.9000115.6
16L39.3Very low41.5Very low169 Ų169138.1 Ų138.189%0.88580%0.797SS**SBendtrans-118.80.8-173.7-86.7153.4000115.2
17E39.7Very low42.4Very low197 Ų197137.8 Ų137.892%0.92180%0.798SS**SBendtrans-92.6-6.5179.2-156.4170.1-177.600113.6
18A42.7Very low43.8Very low103 Ų103135.9 Ų135.985%0.85180%0.797SS**SBendtrans-97.16.8-174.600000115.3
19A45.1Very low44.9Very low84 Ų84134.4 Ų134.469%0.69479%0.788SS**SBendtrans-134.873-175.500000111.7
20V51Low46.1Very low137 Ų137132.7 Ų132.783%0.8378%0.777SS**  trans-176.893.8137.1172.60000106.5
21K41Very low46.8Very low187 Ų187128.7 Ų128.781%0.81376%0.76SS**  trans-161.490.9154.1-108.1171.1-171.4-178.10107.8
22I45.4Very low47.8Very low163 Ų163130.7 Ų130.784%0.83675%0.754SS**  trans-10198.2173.8-36.6173.5000105.1
23S49.9Very low48.6Very low74 Ų74128.6 Ų128.652%0.51774%0.736SS.*  trans86.1145.1179.584.80000118.3
24H51Low49.4Very low192 Ų192124.7 Ų124.789%0.88972%0.716SS**SBendtrans-95.524.1-175.7-82.5-85.4000114
25T52.2Low50.3Low129 Ų129127 Ų12779%0.79171%0.711SS**  trans-13625.4-174.856.30000114.9
26S47.4Very low51.1Low83 Ų83121.5 Ų121.558%0.5870%0.696SS**SBendtrans-110.5138.4177.3-56.20000110.8
27P54.9Low51.7Low124 Ų124119 Ų11981%0.80568%0.682SS**PPolyproline II helixtrans-68.9144.8176.627.1-31.1000111.4
28D59.8Low52.5Low154 Ų154118.3 Ų118.382%0.82467%0.67SS**PPolyproline II helixtrans-64.4136-176.9-75.2-43.5000112.2
29I56.6Low52.9Low111 Ų111119.2 Ų119.257%0.56966%0.657SS**PPolyproline II helixtrans-80129.6176.1-60.9171.3000108.7V33I29-V33 HydrophobicContact CG2-CB 3.91Å; I29-V33 HydrophobicContact CG2-CG1 4.15Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å
30P62.5Low53.4Low76 Ų76121.5 Ų121.549%0.49465%0.653SS.*PPolyproline II helixtrans-55.2139.9178.1-26.635.4000113.6D32 V33P30-D32 VanDerWaalsContact C-OD1 3.28Å; P30-D32 WeakPolarHBondContact CB-OD1 3.28Å; P30-D32 PolarHBondContact O-N 3.03Å; P30-D32 VanDerWaalsContact O-N 3.14Å; P30-V33 PolarHBondContact O-N 3.05Å
31A55.5Low53.4Low69 Ų69121.4 Ų121.457%0.5764%0.642SS**Hα-helixtrans-60.5-25.4-171.300000114.2Q34 L35A31-Q34 PolarHBondContact O-N 3.43Å; A31-L35 PolarHBondContact O-N 2.97Å
32D55.7Low53.9Low113 Ų113117.7 Ų117.760%0.60463%0.63SS**Hα-helixtrans-65-34.2175.743.9-49.1000113.1P30 S36P30-D32 VanDerWaalsContact C-OD1 3.28Å; P30-D32 WeakPolarHBondContact CB-OD1 3.28Å; P30-D32 PolarHBondContact O-N 3.03Å; P30-D32 VanDerWaalsContact O-N 3.14Å; D32-S36 PolarHBondContact O-N 2.74Å
33V54.8Low54.3Low68 Ų68119.2 Ų119.241%0.41263%0.625SS.*Hα-helixtrans-73.6-35.1176.3-178.20000111.1I29 P30 S36 M37I29-V33 HydrophobicContact CG2-CB 3.91Å; I29-V33 HydrophobicContact CG2-CG1 4.15Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; P30-V33 PolarHBondContact O-N 3.05Å; V33-S36 PolarHBondContact O-N 3.18Å; V33-M37 WeakPolarHBondContact O-CG 3.38Å; V33-M37 PolarHBondContact O-N 3.32Å
34Q56.1Low54.3Low125 Ų125125 Ų12558%0.58464%0.636SS**Hα-helixtrans-68.5-36.1178.3-64.4-174.21200112.3A31 R38A31-Q34 PolarHBondContact O-N 3.43Å; Q34-R38 PolarHBondContact O-N 3.26Å
35L56.3Low54.1Low117 Ų117120.8 Ų120.861%0.61362%0.624SS**Hα-helixtrans-68.7-39.7176.4-72.4167.6000112.1A31 M37 R38 E39A31-L35 PolarHBondContact O-N 2.97Å; L35-M37 PolarHBondContact O-N 2.86Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.23Å; L35-E39 PolarHBondContact O-N 3.17Å; L35-E39 VanDerWaalsContact O-N 3.09Å
36S55.3Low53.8Low77 Ų77123.1 Ų123.154%0.53863%0.626SS.*Hα-helixtrans-62.3-42176.5-179.70000112.6D32 V33 R38 E39 H40D32-S36 PolarHBondContact O-N 2.74Å; V33-S36 PolarHBondContact O-N 3.18Å; S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 2.94Å; S36-E39 PolarHBondContact O-N 3.09Å; S36-H40 PolarHBondContact O-N 3.28Å; S36-H40 VanDerWaalsContact O-N 3.14Å
37M52.4Low53.8Low117 Ų117130.1 Ų130.158%0.57664%0.639SS**Hα-helixtrans-66-37.9176.3-65.2-172.391.500111.7V33 L35 E39 H40 F41V33-M37 WeakPolarHBondContact O-CG 3.38Å; V33-M37 PolarHBondContact O-N 3.32Å; L35-M37 PolarHBondContact O-N 2.86Å; M37-E39 PolarHBondContact O-N 2.75Å; M37-H40 PolarHBondContact O-N 2.72Å; M37-F41 WeakPolarHBondContact O-CD2 3.45Å; M37-F41 PolarHBondContact O-N 3.07Å; M37-F41 VanDerWaalsContact O-N 3.08Å
38R56.6Low53.1Low181 Ų181131.4 Ų131.468%0.68364%0.636SS**Hα-helixtrans-63.6-40.1178-166.4175.3-175.9156.80.6112.3Q34 L35 S36 F41 L42Q34-R38 PolarHBondContact O-N 3.26Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.23Å; S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 2.94Å; R38-F41 PolarHBondContact O-N 2.84Å; R38-L42 PolarHBondContact O-N 2.97Å
39E52.3Low52.2Low122 Ų122133.6 Ų133.657%0.5764%0.642SS**Hα-helixtrans-69.2-38.3177.6-155-177.8175.800112L35 S36 M37 F41 L42 R43L35-E39 PolarHBondContact O-N 3.17Å; L35-E39 VanDerWaalsContact O-N 3.09Å; S36-E39 PolarHBondContact O-N 3.09Å; M37-E39 PolarHBondContact O-N 2.75Å; E39-F41 PolarHBondContact O-N 2.6Å; E39-L42 PolarHBondContact O-N 3.18Å; E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 VanDerWaalsContact O-N 3.17Å
40H54.2Low51.5Low132 Ų132138.5 Ų138.561%0.61165%0.653SS**Hα-helixtrans-66-35.2176.6-169.6-92.8000112.7S36 M37 R44S36-H40 PolarHBondContact O-N 3.28Å; S36-H40 VanDerWaalsContact O-N 3.14Å; M37-H40 PolarHBondContact O-N 2.72Å; H40-R44 PolarHBondContact O-N 3.45Å
41F51.4Low50.4Low136 Ų136144.4 Ų144.460%0.59667%0.674SS**Hα-helixtrans-70.1-39.2175.1-92.3-80.4000112.8M37 R38 E39 R44 T45M37-F41 WeakPolarHBondContact O-CD2 3.45Å; M37-F41 PolarHBondContact O-N 3.07Å; M37-F41 VanDerWaalsContact O-N 3.08Å; R38-F41 PolarHBondContact O-N 2.84Å; E39-F41 PolarHBondContact O-N 2.6Å; F41-R44 PolarHBondContact O-N 3.09Å; F41-T45 PolarHBondContact O-N 3.48Å
42L51.5Low49.5Very low108 Ų108147.5 Ų147.557%0.56569%0.686SS**Hα-helixtrans-67-35.1178-80.3159.4000112.9R38 E39 R44 T45R38-L42 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.18Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 2.85Å; L42-T45 PolarHBondContact O-OG1 2.87Å
43R54.3Low48.8Very low196 Ų196148.8 Ų148.874%0.7470%0.698SS**Hα-helixtrans-69.6-26.6174.9-77.9-165.9176.5-138.41.7113.5E39E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 VanDerWaalsContact O-N 3.17Å
44R48.8Very low48.2Very low195 Ų195154.6 Ų154.674%0.73672%0.721SS**Hα-helixtrans-80.8-25.5-177.7-156.3174.4-171.2-171.92.8112.9H40 F41 L42H40-R44 PolarHBondContact O-N 3.45Å; F41-R44 PolarHBondContact O-N 3.09Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 2.85Å
45T47.7Very low47.6Very low104 Ų104154.7 Ų154.764%0.63873%0.732SS**Hα-helixtrans-85-15.4-177.753.30000114.1F41 L42 R47F41-T45 PolarHBondContact O-N 3.48Å; L42-T45 PolarHBondContact O-OG1 2.87Å; T45-R47 PolarHBondContact O-N 3.03Å
46Q45.6Very low46.5Very low177 Ų177154 Ų15483%0.82774%0.744SS**THydrogen-bonded Turntrans-81.2-4.7178.6-91.4-175.7-16.100115.3
47R47.1Very low45.6Very low231 Ų231156 Ų15687%0.87276%0.758SS**THydrogen-bonded Turntrans-111.719.5-171-133.5179.8-176.5-177.70.9116.5T45T45-R47 PolarHBondContact O-N 3.03Å
48M41.7Very low44.9Very low150 Ų150156.3 Ų156.374%0.73977%0.771SS**  trans-133.897170.6-80.8-164.366.600111.7R50M48-R50 HydrophobicContact CE-CG 4.5Å
49Q39.6Very low44Very low200 Ų200153.7 Ų153.794%0.93578%0.775SS**  trans-105.9103164.4-155.2175.48.500107.3
50R42.2Very low43.2Very low215 Ų215158.1 Ų158.181%0.81179%0.787SS**  trans-103.4127.7169-88.4-173.6170.2-138.5-0.1108.4M48M48-R50 HydrophobicContact CE-CG 4.5Å
51Q39Very low42.5Very low199 Ų199158.8 Ų158.893%0.9379%0.79SS**  trans-66135.6167.6-80.9173-2600110.2
52T36.3Very low41.7Very low135 Ų135159.1 Ų159.183%0.82880%0.798SS**  trans-116.6128.6172.240.30000109.3
53T42.7Very low41Very low140 Ų140158 Ų15886%0.85980%0.8SS**  trans-115.5130.1165.150.80000109
54E40.5Very low40Very low189 Ų189158.4 Ų158.488%0.88381%0.807SS**PPolyproline II helixtrans-80152.6179.5-58.4-158.3143.100112.7
55P43.5Very low39.5Very low127 Ų127158.3 Ų158.383%0.82581%0.812SS**PPolyproline II helixtrans-91.1132171.133.2-27.5000112
56A34.1Very low39Very low104 Ų104165 Ų16586%0.8683%0.826SS**PPolyproline II helixtrans-76.9136.9172.400000112
57S35.3Very low38.5Very low118 Ų118165.1 Ų165.183%0.82583%0.825SS**PPolyproline II helixtrans-78.7141.1170.9480000112.4
58S39.1Very low37.9Very low124 Ų124161.7 Ų161.787%0.86782%0.824SS**  trans-134.8132.6166175.20000111
59T37.5Very low38.2Very low125 Ų125160.6 Ų160.677%0.76783%0.828SS**  trans-114.5144.9-176.5-59.70000109.5
60R35.5Very low38Very low215 Ų215161.2 Ų161.281%0.81182%0.821SS**  trans118.5134.5162.7-74.9-178.5165.7-154.4-2.6112.5
61H39.7Very low37.6Very low146 Ų146157.2 Ų157.268%0.67681%0.812SS**  cis-156.915924.2-124.3-65.1000112.6
62N34.2Very low37.3Very low143 Ų143155 Ų15577%0.76580%0.804SS**  trans-56.4166.8166.3-76.3-67.2000111.7
63S36.2Very low37Very low86 Ų86157 Ų15760%0.60180%0.803SS**  cis-179.2158.322.6270000106.3
64F34.2Very low36.6Very low204 Ų204157.2 Ų157.290%0.89580%0.804SS**  172.2110.2124.3-93.4-70.1000110.6
65K38.4Very low36.1Very low192 Ų192151.5 Ų151.584%0.83580%0.797SS**  trans-86.2145.1158.7-85.8-176.2173.2-178.80108.6
66R36Very low35.4Very low246 Ų246150.2 Ų150.293%0.92879%0.79SS**  trans-162.2133.5133.3-111.3177.1-157.5-155.65.3112
67H34.8Very low35.4Very low178 Ų178152.3 Ų152.382%0.82479%0.786SS**  trans-83.1160.5169.7-8239.7000111.1
68L36.4Very low35.2Very low160 Ų160153.3 Ų153.384%0.83878%0.783SS**  trans-50.7165.4174.1-8483.3000115.3
69P46.8Very low35.1Very low126 Ų126155.4 Ų155.482%0.81878%0.783SS**  -146.2143.498.132.6-13000117.6
70R36.5Very low34.7Very low213 Ų213152.7 Ų152.780%0.80478%0.78SS**  trans45.8130.1132.5-117.7-171.6179.4-149.18.9124.3
71Q33.7Very low34.6Very low132 Ų132149.6 Ų149.662%0.61778%0.78SS**  99.5117.2124.5-151.2165-10.800122.1
72M32.7Very low34.3Very low152 Ų152148.3 Ų148.375%0.74978%0.777SS**  trans25.4142.3143.5-53.5176.1101.300118.8
73Q30.3Very low34.3Very low176 Ų176151.1 Ų151.182%0.82278%0.779SS**  -175.7171.852.1-147.3163-7.700110.5
74V33.3Very low34.3Very low145 Ų145152.5 Ų152.588%0.87978%0.784SS**  trans-64.9154.6-167.2-164.10000117.3
75G29.2Very low34.2Very low70 Ų70148.6 Ų148.672%0.72278%0.776SS**  trans138.8149.3146.800000112.2
76S30Very low34.1Very low99 Ų99147 Ų14769%0.69278%0.776SS**  cis179.3141.1-13.8-172.50000104.6
77L32.9Very low34.1Very low148 Ų148144 Ų14478%0.77577%0.765SS**  trans68.5151.3160.3-59.3150.8000116.1
78D31.3Very low34.1Very low140 Ų140145.2 Ų145.275%0.74977%0.771SS**  cis-158.1163.613.8-142.2-18.1000111.7
79L37.1Very low34Very low167 Ų167144.3 Ų144.387%0.87476%0.763SS**  trans-64.1158.9178.4-112.263000114.7
80G29.1Very low33.5Very low68 Ų68148.1 Ų148.170%0.70177%0.766SS**  trans-144.1119.9157.500000111.8
81N34.6Very low33.6Very low151 Ų151143.6 Ų143.681%0.80777%0.765SS**  trans93.989.4157.2-7441.3000121.5
82D32Very low34Very low118 Ų118143 Ų14363%0.63177%0.77SS**  63.2114.599.9-77.44.9000123.5
83Y35.2Very low34.4Very low202 Ų202140.7 Ų140.779%0.79277%0.769SS**  trans67.8132.3131.2-68.5-56.3000119.2
84V35.1Very low35.1Very low116 Ų116140.1 Ų140.170%0.70377%0.771SS**  cis-168.9135.628.1134.10000110.9
85V33.7Very low36Very low122 Ų122137.2 Ų137.274%0.73977%0.771SS**  trans57122.6136.6-171.30000118.6
86D35Very low37Very low157 Ų157144.4 Ų144.484%0.8478%0.776SS**  -156.1150.868.1-152.92.5000115
87R35.9Very low37.8Very low184 Ų184146 Ų14669%0.69478%0.775SS**  trans-101.2135-170.5-105.1176.7151.8174.7-5.8110.7E89R87-E89 IonicContact CZ-OE1 3.24Å; R87-E89 VanDerWaalsContact CZ-OE1 3.24Å; R87-E89 IonicContact NE-OE1 3.08Å; R87-E89 PolarHBondContact NE-OE1 2.78Å; R87-E89 VanDerWaalsContact NE-OE1 3.08Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 3.15Å; R87-E89 IonicContact NH2-OE2 3.8Å
88E34.9Very low38.4Very low203 Ų203144.7 Ų144.795%0.94977%0.765SS**  trans-134.5117133.5-82.8-164.6155.100109.2
89E34.4Very low39.4Very low142 Ų142141.9 Ų141.966%0.66475%0.754SS**  trans-90.9140.4178.8-73.6-179167.400111.3R87R87-E89 IonicContact CZ-OE1 3.24Å; R87-E89 VanDerWaalsContact CZ-OE1 3.24Å; R87-E89 IonicContact NE-OE1 3.08Å; R87-E89 PolarHBondContact NE-OE1 2.78Å; R87-E89 VanDerWaalsContact NE-OE1 3.08Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 3.15Å; R87-E89 IonicContact NH2-OE2 3.8Å
90K36.5Very low40.1Very low205 Ų205140.6 Ų140.689%0.89174%0.744SS**  trans-154.5155.4143.1-105.6174.4-172.8175.40109.7
91P39.8Very low40.9Very low119 Ų119143.8 Ų143.877%0.77374%0.744SS**  -88145.8-118.230.5-37.4000115.5S93P91-S93 PolarHBondContact O-N 2.84Å
92T42Very low41.5Very low119 Ų119146 Ų14673%0.7374%0.743SS**  trans-64.8111.7172.7-30.60000111.3L94T92-L94 VanDerWaalsContact C-N 3.29Å; T92-L94 HydrophobicContact CG2-CB 4.47Å; T92-L94 HydrophobicContact CG2-CD1 3.9Å; T92-L94 HydrophobicContact CG2-CG 3.72Å; T92-L94 PolarHBondContact O-N 3.22Å
93S40.4Very low42Very low103 Ų103146.9 Ų146.972%0.7274%0.743SS**  trans-83.280.8154.6580000108.5P91 G95P91-S93 PolarHBondContact O-N 2.84Å; S93-G95 PolarHBondContact O-N 3.09Å
94L45Very low42.4Very low164 Ų164145.8 Ų145.886%0.85975%0.745SS**THydrogen-bonded Turntrans-61.3124.6169.6-97145.3000109.3T92T92-L94 VanDerWaalsContact C-N 3.29Å; T92-L94 HydrophobicContact CG2-CB 4.47Å; T92-L94 HydrophobicContact CG2-CD1 3.9Å; T92-L94 HydrophobicContact CG2-CG 3.72Å; T92-L94 PolarHBondContact O-N 3.22Å
95G52.7Low42.3Very low85 Ų85150 Ų15088%0.87675%0.754SS**THydrogen-bonded Turntrans121.13.9172.300000116.9S93S93-G95 PolarHBondContact O-N 3.09Å
96R49.8Very low42.5Very low220 Ų220147.7 Ų147.783%0.8376%0.755SS**  trans-108.8124172.7-154.8176-164.6178.73.1109.8Q98R96-Q98 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact O-N 3.14Å
97I46.9Very low43Very low133 Ų133144.8 Ų144.868%0.68275%0.747SS**  trans-54.2120.3169.8-60.9174.7000107.2P99 Y102I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.24Å; I97-Y102 HydrophobicContact CG2-CD2 4.3Å; I97-Y102 HydrophobicContact CG2-CE2 4.46Å
98Q44.7Very low42.6Very low121 Ų121144.8 Ų144.857%0.56576%0.755SS**  trans-78.6106.8168-76.9-176.8-21.500107.4R96 E100 L101R96-Q98 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-E100 PolarHBondContact O-N 3.43Å; Q98-L101 HydrophobicContact CB-CD1 4.36Å; Q98-L101 PolarHBondContact O-N 3.45Å; Q98-L101 VanDerWaalsContact OE1-CD1 3.27Å
99P52.7Low42.5Very low80 Ų80140 Ų14052%0.51974%0.744SS.*G310 helixtrans-63.7-25.6-173.7-18.432.6000112.4I97 L101 Y102 Q103I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.24Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.31Å; P99-Y102 PolarHBondContact O-N 3.02Å; P99-Q103 WeakPolarHBondContact O-CG 3.42Å; P99-Q103 PolarHBondContact O-N 3.15Å; P99-Q103 VanDerWaalsContact O-N 3.14Å
100E52.4Low42.3Very low141 Ų141142.1 Ų142.166%0.65975%0.754SS**G310 helixtrans-67.8-26.4-177.8-63.9140.8-154.200113.5Q98 Y102 Q103Q98-E100 PolarHBondContact O-N 3.43Å; E100-Y102 VanDerWaalsContact C-N 3.35Å; E100-Q103 PolarHBondContact O-N 3.33Å
101L44.8Very low41.7Very low135 Ų135140.9 Ų140.971%0.70775%0.751SS**G310 helixtrans-82.6-11.9176.8-83.7163.1000113.5Q98 P99Q98-L101 HydrophobicContact CB-CD1 4.36Å; Q98-L101 PolarHBondContact O-N 3.45Å; Q98-L101 VanDerWaalsContact OE1-CD1 3.27Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.31Å
102Y47.2Very low41.3Very low197 Ų197140.9 Ų140.977%0.77375%0.754SS**SBendtrans-106.92.8169.3-71.1-85.6000112.6I97 P99 E100 Q104I97-Y102 HydrophobicContact CG2-CD2 4.3Å; I97-Y102 HydrophobicContact CG2-CE2 4.46Å; P99-Y102 PolarHBondContact O-N 3.02Å; E100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-Q104 VanDerWaalsContact C-N 3.35Å; Y102-Q104 PolarHBondContact O-N 3.13Å
103Q42.2Very low40.9Very low136 Ų136139 Ų13964%0.63675%0.746SS**  trans-75.991.6166.4-78.2172.313.100108.6P99 E100 K105P99-Q103 WeakPolarHBondContact O-CG 3.42Å; P99-Q103 PolarHBondContact O-N 3.15Å; P99-Q103 VanDerWaalsContact O-N 3.14Å; E100-Q103 PolarHBondContact O-N 3.33Å; Q103-K105 PolarHBondContact O-N 2.98Å
104Q43.4Very low40.7Very low179 Ų179144.5 Ų144.584%0.83676%0.757SS**  trans-53.6124.4147.4-86.5-167-3000107.4Y102 G106Y102-Q104 VanDerWaalsContact C-N 3.35Å; Y102-Q104 PolarHBondContact O-N 3.13Å; Q104-G106 PolarHBondContact O-N 2.8Å
105K34Very low40Very low204 Ų204143 Ų14389%0.88775%0.75SS**SBendtrans-33.2124.9172.3-78.8175.9171.81770111.5Q103 S107Q103-K105 PolarHBondContact O-N 2.98Å; K105-S107 PolarHBondContact O-N 3.46Å
106G37.2Very low39Very low75 Ų75142.7 Ų142.777%0.77375%0.747SS**  trans-6.897174.200000116.2Q104Q104-G106 PolarHBondContact O-N 2.8Å
107S45.2Very low38.3Very low96 Ų96135.6 Ų135.667%0.67174%0.742SS**  trans-110.278.1144.348.30000107.2K105 S109K105-S107 PolarHBondContact O-N 3.46Å; S107-S109 PolarHBondContact O-OG 3.38Å; S107-S109 VanDerWaalsContact O-OG 3.12Å
108E28.8Very low38.3Very low184 Ų184138.4 Ų138.486%0.8675%0.752SS**  trans-104.3107.9167-65.9-176.8161.200104.9
109S32.8Very low39.2Very low102 Ų102138.7 Ų138.771%0.71375%0.752SS**  58.8118.653.8-46.80000109.1S107S107-S109 PolarHBondContact O-OG 3.38Å; S107-S109 VanDerWaalsContact O-OG 3.12Å
110E28.6Very low40.5Very low187 Ų187140.9 Ų140.987%0.87476%0.759SS**  cis-160160.649.1-57.2-174141.700107.7
111E25.8Very low42.3Very low178 Ų178134.3 Ų134.383%0.83273%0.729SS**  cis-137.4121.223.2-68.7172.7123.900108.4
112S30.6Very low44.6Very low120 Ų120128 Ų12884%0.83970%0.696SS**  trans-106.398156.248.30000106.7K114S112-K114 PolarHBondContact O-N 2.86Å
113S33.3Very low46.9Very low80 Ų80123.9 Ų123.956%0.55968%0.679SS**  trans-46.5126.6172.4-48.90000108.8N115S113-N115 PolarHBondContact O-N 2.97Å
114K36.7Very low49.5Very low218 Ų218117.4 Ų117.495%0.94865%0.648SS**  trans-64.470.5154.3-73.4176.1176.8171.60108S112S112-K114 PolarHBondContact O-N 2.86Å
115N29.1Very low52Low131 Ų131109.1 Ų109.170%0.70161%0.61SS**SBendtrans-116.6139.9163.6-83.8-12.1000105.9S113 G117S113-N115 PolarHBondContact O-N 2.97Å; N115-G117 PolarHBondContact O-N 2.79Å
116G32.8Very low55Low79 Ų7999.4 Ų99.481%0.81457%0.568SS**  trans-46.8124-171.100000112.8E118G116-E118 PolarHBondContact O-N 2.79Å
117G35.1Very low57.7Low71 Ų7196 Ų9673%0.73253%0.532SS*.  trans-52113.9-172.200000112.6N115 K119N115-G117 PolarHBondContact O-N 2.79Å; G117-K119 PolarHBondContact O-N 3.25Å; G117-K119 VanDerWaalsContact O-N 3.11Å
118E46Very low60Low193 Ų19391.4 Ų91.490%0.90250%0.5SS*.  trans-59.2113.2166.6-71.2-178.7160.300107.8G116 N120G116-E118 PolarHBondContact O-N 2.79Å; E118-N120 PolarHBondContact O-N 2.64Å; E118-N120 VanDerWaalsContact O-N 3.08Å
119K64.3Low63.1Low126 Ų12687 Ų8755%0.54848%0.478SS..  trans-72.6103.5176.8-66.3178.5-176.51800107.7G117 C121 Y244G117-K119 PolarHBondContact O-N 3.25Å; G117-K119 VanDerWaalsContact O-N 3.11Å; K119-C121 PolarHBondContact O-N 2.81Å; K119-C121 PolarHBondContact O-SG 3.49Å; K119-Y244 HydrophobicContact CB-CD2 3.96Å; K119-Y244 HydrophobicContact CB-CE2 4.39Å; K119-Y244 HydrophobicContact CB-CG 4.02Å; K119-Y244 HydrophobicContact CD-CD1 4.02Å; K119-Y244 HydrophobicContact CD-CD2 3.99Å; K119-Y244 HydrophobicContact CD-CE1 3.68Å; K119-Y244 HydrophobicContact CD-CE2 3.65Å; K119-Y244 HydrophobicContact CD-CG 4.16Å; K119-Y244 VanDerWaalsContact CD-CZ 3.48Å; K119-Y244 PolarHBondContact NZ-OH 2.85Å
120N80.8Confident66Low127 Ų12782.3 Ų82.368%0.67945%0.445SS*.  trans-61.7122.4173.5-174-3.8000109.7E118 G122E118-N120 PolarHBondContact O-N 2.64Å; E118-N120 VanDerWaalsContact O-N 3.08Å; N120-G122 PolarHBondContact OD1-N 3.46Å
121C89.1Confident69Low3 Ų375 Ų752%0.0241%0.412CS..  trans-107.812.7-179.6-56.20000113.1K119 I218 I242 Y244K119-C121 PolarHBondContact O-N 2.81Å; K119-C121 PolarHBondContact O-SG 3.49Å; C121-I218 HydrophobicContact CB-CG2 4.39Å; C121-I242 HydrophobicContact CB-CB 3.86Å; C121-I242 HydrophobicContact CB-CG2 3.65Å; C121-I242 WeakPolarHBondContact CB-O 3.05Å; C121-I242 WeakPolarHBondContact O-CD1 3.49Å; C121-Y244 WeakPolarHBondContact SG-CA 3.13Å; C121-Y244 WeakPolarHBondContact SG-CB 3.42Å; C121-Y244 WeakPolarHBondContact SG-CD2 3.3Å
122G93.1Very high72.2Confident1 Ų172.3 Ų72.31%0.0140%0.395CS..  trans78.8-166.7-175.300000112.6N120 V145 D146 I242N120-G122 PolarHBondContact OD1-N 3.46Å; G122-V145 CarbonylContact C-O 3.5Å; G122-V145 WeakPolarHBondContact CA-O 3.49Å; G122-D146 WeakPolarHBondContact CA-O 3.33Å; G122-D146 PolarHBondContact N-O 2.89Å; G122-I242 WeakPolarHBondContact O-CB 3.13Å; G122-I242 PolarHBondContact O-N 2.86Å
123R95.8Very high75.1Confident111 Ų11175.1 Ų75.142%0.41940%0.395SS..EExtended strand (participates in β ladder)trans-135.6146.6-176-51.9-172.4-74.5-179.6-8.1110.8A144 V145 W239 R240 D241R123-A144 CarbonylContact O-C 3.53Å; R123-A144 VanDerWaalsContact O-CA 3.23Å; R123-A144 WeakPolarHBondContact O-CA 3.43Å; R123-V145 HydrophobicContact CB-CG2 4Å; R123-V145 PolarHBondContact N-O 3.23Å; R123-V145 PolarHBondContact O-N 3Å; R123-W239 HydrophobicContact CB-CE3 4.09Å; R123-W239 HydrophobicContact CB-CZ3 4.36Å; R123-R240 CarbonylContact C-O 3.41Å; R123-R240 VanDerWaalsContact CA-O 3.27Å; R123-R240 WeakPolarHBondContact CA-O 3.25Å; R123-R240 WeakPolarHBondContact CB-O 3.11Å; R123-D241 WeakPolarHBondContact CD-OD1 3.12Å; R123-D241 WeakPolarHBondContact CG-OD1 3.29Å
124I96.6Very high78Confident0 Ų076.1 Ų76.10%039%0.394CS..EExtended strand (participates in β ladder)trans-113.6141.8176.3-168.6168.9000110.4F126 I141 A144 V160 V206 V221 W239 R240 I242I124-F126 HydrophobicContact CG2-CD1 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.32Å; I124-I141 HydrophobicContact CD1-CG2 4.24Å; I124-A144 HydrophobicContact CB-CB 4.5Å; I124-A144 HydrophobicContact CG1-CB 4.43Å; I124-V160 HydrophobicContact CD1-CG1 4.16Å; I124-V160 HydrophobicContact CD1-CG2 3.98Å; I124-V206 HydrophobicContact CD1-CG2 4.26Å; I124-V221 HydrophobicContact CG2-CB 4.46Å; I124-V221 HydrophobicContact CG2-CG2 3.69Å; I124-W239 WeakPolarHBondContact O-CA 3.39Å; I124-R240 HydrophobicContact CG2-CB 4.41Å; I124-R240 PolarHBondContact N-O 3.46Å; I124-R240 PolarHBondContact O-N 2.93Å; I124-I242 HydrophobicContact CB-CD1 4.26Å; I124-I242 HydrophobicContact CB-CG1 4.2Å; I124-I242 HydrophobicContact CG2-CG1 4.21Å
125N96.6Very high80.7Confident5 Ų571.7 Ų71.73%0.02738%0.376CS..EExtended strand (participates in β ladder)trans-113.3128.9172.9-171.4-25000109.9L142 R143 N237 I238 W239N125-L142 HydrophobicContact CB-CB 4.45Å; N125-L142 WeakPolarHBondContact O-CB 3.15Å; N125-L142 PolarHBondContact O-N 3.07Å; N125-L142 WeakPolarHBondContact OD1-CD1 3.43Å; N125-R143 WeakPolarHBondContact CA-O 3.3Å; N125-R143 HydrophobicContact CB-CG 3.95Å; N125-R143 PolarHBondContact N-O 2.98Å; N125-R143 PolarHBondContact O-N 3.39Å; N125-N237 VanDerWaalsContact CG-OD1 3.24Å; N125-N237 PolarHBondContact ND2-ND2 2.95Å; N125-N237 PolarHBondContact ND2-OD1 2.87Å; N125-N237 VanDerWaalsContact OD1-CG 3.3Å; N125-N237 PolarHBondContact OD1-ND2 2.76Å; N125-N237 PolarHBondContact OD1-OD1 2.89Å; N125-I238 WeakPolarHBondContact CA-O 3.45Å; N125-I238 PolarHBondContact OD1-O 2.9Å; N125-W239 HydrophobicContact CB-CD2 3.79Å; N125-W239 HydrophobicContact CB-CE3 3.7Å; N125-W239 HydrophobicContact CB-CH2 3.68Å; N125-W239 HydrophobicContact CB-CZ2 3.75Å; N125-W239 HydrophobicContact CB-CZ3 3.64Å; N125-W239 WeakPolarHBondContact ND2-CZ2 3.41Å; N125-W239 PolarHBondContact ND2-NE1 2.96Å; N125-W239 VanDerWaalsContact ND2-NE1 3.14Å
126F96Very high83.8Confident0 Ų065.4 Ų65.40%034%0.343CS..EExtended strand (participates in β ladder)trans-147162.9176.258.7-79.3000109.5I124 L128 N140 I141 M204 L223 I238 R240I124-F126 HydrophobicContact CG2-CD1 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.32Å; F126-L128 HydrophobicContact CD2-CD2 4.04Å; F126-L128 HydrophobicContact CD2-CG 4.09Å; F126-L128 HydrophobicContact CE2-CD1 4.14Å; F126-L128 HydrophobicContact CE2-CD2 4.28Å; F126-L128 HydrophobicContact CE2-CG 4.07Å; F126-N140 CarbonylContact C-O 3.49Å; F126-N140 WeakPolarHBondContact CA-O 2.89Å; F126-N140 VanDerWaalsContact CB-O 3.27Å; F126-N140 WeakPolarHBondContact CB-O 3.18Å; F126-I141 HydrophobicContact CB-CD1 3.87Å; F126-M204 HydrophobicContact CD1-CE 3.7Å; F126-M204 HydrophobicContact CD1-SD 4.1Å; F126-M204 HydrophobicContact CD2-CE 4.14Å; F126-M204 HydrophobicContact CD2-SD 4.38Å; F126-M204 HydrophobicContact CE1-CE 3.54Å; F126-M204 HydrophobicContact CE2-CE 3.95Å; F126-M204 HydrophobicContact CG-CE 4.04Å; F126-M204 HydrophobicContact CG-SD 4.07Å; F126-M204 HydrophobicContact CZ-CE 3.69Å; F126-L223 HydrophobicContact CE2-CD1 3.5Å; F126-L223 HydrophobicContact CZ-CD1 3.51Å; F126-L223 HydrophobicContact CZ-CD2 4.44Å; F126-L223 HydrophobicContact CZ-CG 4.47Å; F126-I238 HydrophobicContact CD2-CD1 4.37Å; F126-I238 HydrophobicContact CE1-CB 4.32Å; F126-I238 HydrophobicContact CE1-CG2 4.34Å; F126-I238 HydrophobicContact CE2-CB 4.09Å; F126-I238 HydrophobicContact CE2-CD1 3.67Å; F126-I238 HydrophobicContact CE2-CG1 4.45Å; F126-I238 HydrophobicContact CE2-CG2 4.42Å; F126-I238 HydrophobicContact CZ-CB 3.89Å; F126-I238 HydrophobicContact CZ-CD1 4.12Å; F126-I238 HydrophobicContact CZ-CG2 3.84Å; F126-I238 PolarHBondContact N-O 3.36Å; F126-I238 VanDerWaalsContact N-O 3.13Å; F126-I238 PolarHBondContact O-N 2.83Å; F126-R240 HydrophobicContact CE1-CB 4.14Å; F126-R240 HydrophobicContact CE1-CG 3.79Å; F126-R240 HydrophobicContact CZ-CG 3.93Å
127S94.6Very high86.7Confident3 Ų361.7 Ų61.72%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-123150170.254.10000111.7N140 E235 T236S127-N140 PolarHBondContact N-O 3.17Å; S127-N140 PolarHBondContact O-N 3.07Å; S127-N140 WeakPolarHBondContact OG-CB 3.24Å; S127-E235 PolarHBondContact OG-OE1 2.92Å; S127-T236 WeakPolarHBondContact CA-O 3.37Å; S127-T236 WeakPolarHBondContact CB-O 3.45Å
128L93.9Very high89.5Confident0 Ų060.7 Ų60.70%028%0.282CS..EExtended strand (participates in β ladder)trans-120.8141.3178.2-58179.9000109F126 L138 V139 L202 L223 L226 L232 T236 I238F126-L128 HydrophobicContact CD2-CD2 4.04Å; F126-L128 HydrophobicContact CD2-CG 4.09Å; F126-L128 HydrophobicContact CE2-CD1 4.14Å; F126-L128 HydrophobicContact CE2-CD2 4.28Å; F126-L128 HydrophobicContact CE2-CG 4.07Å; L128-L138 WeakPolarHBondContact CA-O 3.1Å; L128-V139 HydrophobicContact CD2-CB 4.18Å; L128-V139 HydrophobicContact CD2-CG1 3.91Å; L128-V139 HydrophobicContact CD2-CG2 3.82Å; L128-L202 HydrophobicContact CD1-CD2 4.29Å; L128-L202 HydrophobicContact CD2-CD2 3.5Å; L128-L223 HydrophobicContact CD1-CD1 4.46Å; L128-L226 HydrophobicContact CD1-CD2 4.21Å; L128-L232 HydrophobicContact CB-CD2 4.02Å; L128-T236 PolarHBondContact N-O 3.27Å; L128-T236 PolarHBondContact O-N 3.09Å; L128-I238 HydrophobicContact CD1-CD1 3.93Å; L128-I238 HydrophobicContact CG-CD1 4.07Å
129K93.1Very high91.9Very high91 Ų9151.5 Ų51.540%0.39624%0.239SC..EExtended strand (participates in β ladder)trans-150.6139.4171.8-178.4-176.7174.7-169.20108.7L138 E235K129-L138 HydrophobicContact CB-CB 4.41Å; K129-L138 HydrophobicContact CD-CD1 4.5Å; K129-L138 PolarHBondContact N-O 3.48Å; K129-L138 WeakPolarHBondContact O-CA 3.45Å; K129-L138 WeakPolarHBondContact O-CB 3.34Å; K129-L138 PolarHBondContact O-N 3.49Å; K129-E235 HydrophobicContact CB-CB 4.49Å
130Y93.4Very high93.4Very high5 Ų546.7 Ų46.72%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-94.6132.8169.5-167.2-102.7000110.6Y132 E135 A136 L137 V192 Y194 L197 L232Y130-Y132 AromaticContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD2 4.06Å; Y130-Y132 AromaticContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE2 4.1Å; Y130-Y132 AromaticContact CD1-CG 3.83Å; Y130-Y132 HydrophobicContact CD1-CG 3.83Å; Y130-Y132 AromaticContact CD1-CZ 3.93Å; Y130-Y132 AromaticContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CE1 4.06Å; Y130-Y132 HydrophobicContact CE1-CG 4.13Å; Y130-E135 WeakPolarHBondContact OH-CA 3.42Å; Y130-A136 WeakPolarHBondContact CD2-O 3.43Å; Y130-L137 HydrophobicContact CD2-CB 4.41Å; Y130-V192 HydrophobicContact CE2-CG1 4.34Å; Y130-V192 WeakPolarHBondContact CE2-O 3.5Å; Y130-V192 PolarHBondContact OH-O 3.14Å; Y130-Y194 AromaticContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CE2 4.32Å; Y130-Y194 AromaticContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CG 4.23Å; Y130-Y194 HydrophobicContact CG-CD2 4.06Å; Y130-Y194 PolarHBondContact OH-N 2.67Å; Y130-L197 HydrophobicContact CD2-CD1 3.61Å; Y130-L197 HydrophobicContact CE2-CD1 3.77Å; Y130-L197 HydrophobicContact CE2-CG 4.38Å; Y130-L197 HydrophobicContact CG-CD1 4.24Å; Y130-L232 PolarHBondContact N-O 3.14Å
131D93.4Very high94.2Very high34 Ų3440.7 Ų40.718%0.18219%0.187CC..EExtended strand (participates in β ladder)trans-100.2105.5172.7-175.2-6000109.1E133 N134 E135 A136 L138D131-E133 VanDerWaalsContact C-N 3.32Å; D131-E133 PolarHBondContact OD1-N 3.3Å; D131-N134 PolarHBondContact OD1-N 3.26Å; D131-N134 PolarHBondContact OD2-ND2 3.45Å; D131-E135 WeakPolarHBondContact O-CA 3.38Å; D131-E135 PolarHBondContact O-N 3.38Å; D131-A136 PolarHBondContact N-O 3.14Å; D131-A136 PolarHBondContact O-N 3.23Å; D131-A136 VanDerWaalsContact O-N 3.09Å; D131-L138 HydrophobicContact CB-CD1 4.15Å; D131-L138 HydrophobicContact CB-CG 4.35Å
132Y91.6Very high94.5Very high121 Ų12142.2 Ų42.248%0.47520%0.195SC..THydrogen-bonded Turntrans-72.5-23.6-179.5-64.4-86.8000112.9Y130 Y194Y130-Y132 AromaticContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD2 4.06Å; Y130-Y132 AromaticContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE2 4.1Å; Y130-Y132 AromaticContact CD1-CG 3.83Å; Y130-Y132 HydrophobicContact CD1-CG 3.83Å; Y130-Y132 AromaticContact CD1-CZ 3.93Å; Y130-Y132 AromaticContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CE1 4.06Å; Y130-Y132 HydrophobicContact CE1-CG 4.13Å; Y132-Y194 HydrophobicContact CD1-CD2 4.44Å; Y132-Y194 AromaticContact CE1-CD2 3.62Å; Y132-Y194 HydrophobicContact CE1-CD2 3.62Å; Y132-Y194 AromaticContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CG 4.24Å; Y132-Y194 AromaticContact CZ-CE2 3.81Å; Y132-Y194 VanDerWaalsContact OH-CE2 3.28Å; Y132-Y194 WeakPolarHBondContact OH-CE2 3.23Å
133E92.6Very high94.7Very high179 Ų17947.7 Ų47.784%0.83622%0.215SC*.THydrogen-bonded Turntrans-76-36.7-179.7-64.6-178-179.300111.2D131D131-E133 VanDerWaalsContact C-N 3.32Å; D131-E133 PolarHBondContact OD1-N 3.3Å
134N92.8Very high94.8Very high101 Ų10142.5 Ų42.554%0.5420%0.196SC..THydrogen-bonded Turntrans-104.16.1-177.9-64.5-64000113.8D131 A136D131-N134 PolarHBondContact OD1-N 3.26Å; D131-N134 PolarHBondContact OD2-ND2 3.45Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.2Å
135E94.3Very high94.8Very high124 Ų12443.6 Ų43.658%0.57920%0.203SC*.THydrogen-bonded Turntrans44.955-176.2-62.6-173.515300112.7Y130 D131 V192Y130-E135 WeakPolarHBondContact OH-CA 3.42Å; D131-E135 WeakPolarHBondContact O-CA 3.38Å; D131-E135 PolarHBondContact O-N 3.38Å; E135-V192 CarbonylContact C-O 3.47Å; E135-V192 CarbonylContact O-C 3.53Å; E135-V192 PolarHBondContact O-N 2.84Å
136A94.4Very high94.6Very high0 Ų048 Ų480%023%0.226CC..EExtended strand (participates in β ladder)trans-143.2142-173.200000113.8Y130 D131 N134 Q189 F190Y130-A136 WeakPolarHBondContact CD2-O 3.43Å; D131-A136 PolarHBondContact N-O 3.14Å; D131-A136 PolarHBondContact O-N 3.23Å; D131-A136 VanDerWaalsContact O-N 3.09Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.2Å; A136-Q189 HydrophobicContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-NE2 3.31Å; A136-F190 CarbonylContact C-O 3.54Å; A136-F190 VanDerWaalsContact CA-O 3.24Å; A136-F190 WeakPolarHBondContact CA-O 3.45Å; A136-F190 WeakPolarHBondContact CB-O 2.94Å
137L93.5Very high94.5Very high0 Ų048.2 Ų48.20%023%0.227CC..EExtended strand (participates in β ladder)trans-83.3120.3169.7-178.369.4000109.7Y130 V139 L164 F190 V192 L197 L226 L232Y130-L137 HydrophobicContact CD2-CB 4.41Å; L137-V139 HydrophobicContact CD2-CG2 4.03Å; L137-V139 HydrophobicContact CG-CG2 4.03Å; L137-L164 HydrophobicContact CD2-CD1 4.01Å; L137-F190 HydrophobicContact CB-CB 4.39Å; L137-F190 PolarHBondContact N-O 2.69Å; L137-F190 PolarHBondContact O-N 3.35Å; L137-V192 HydrophobicContact CB-CG1 3.89Å; L137-L197 HydrophobicContact CB-CD2 4.31Å; L137-L197 HydrophobicContact CD2-CD2 4.35Å; L137-L226 HydrophobicContact CD2-CD1 3.84Å; L137-L232 HydrophobicContact CD1-CD2 4.1Å
138L94.6Very high94.4Very high50 Ų5049.8 Ų49.826%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-91.5123.2171.7-58.8174.5000109.4L128 K129 D131 F188 Q189L128-L138 WeakPolarHBondContact CA-O 3.1Å; K129-L138 HydrophobicContact CB-CB 4.41Å; K129-L138 HydrophobicContact CD-CD1 4.5Å; K129-L138 PolarHBondContact N-O 3.48Å; K129-L138 WeakPolarHBondContact O-CA 3.45Å; K129-L138 WeakPolarHBondContact O-CB 3.34Å; K129-L138 PolarHBondContact O-N 3.49Å; D131-L138 HydrophobicContact CB-CD1 4.15Å; D131-L138 HydrophobicContact CB-CG 4.35Å; L138-F188 WeakPolarHBondContact CA-O 3.48Å; L138-Q189 HydrophobicContact CD2-CB 3.88Å; L138-Q189 HydrophobicContact CD2-CG 3.8Å
139V95.4Very high94.2Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-119.1114.3178.1-176.40000108.2L128 L137 I141 V162 S187 F188 F190 L202L128-V139 HydrophobicContact CD2-CB 4.18Å; L128-V139 HydrophobicContact CD2-CG1 3.91Å; L128-V139 HydrophobicContact CD2-CG2 3.82Å; L137-V139 HydrophobicContact CD2-CG2 4.03Å; L137-V139 HydrophobicContact CG-CG2 4.03Å; V139-I141 HydrophobicContact CG1-CD1 3.91Å; V139-V162 HydrophobicContact CG1-CG1 4.21Å; V139-S187 WeakPolarHBondContact O-CA 3.31Å; V139-F188 PolarHBondContact N-O 3.05Å; V139-F188 PolarHBondContact O-N 3.42Å; V139-F190 HydrophobicContact CB-CE2 4.21Å; V139-F190 HydrophobicContact CG2-CD2 3.81Å; V139-F190 HydrophobicContact CG2-CE2 3.8Å; V139-L202 HydrophobicContact CG1-CD1 4.44Å; V139-L202 HydrophobicContact CG1-CD2 4Å; V139-L202 HydrophobicContact CG2-CD1 4.12Å; V139-L202 HydrophobicContact CG2-CD2 4.06Å
140N95.9Very high93.8Very high26 Ų2651 Ų5114%0.13925%0.252CS..EExtended strand (participates in β ladder)trans-110.9110.7-178.3-177.719.6000109.9F126 S127 L142 E186 S187 E235F126-N140 CarbonylContact C-O 3.49Å; F126-N140 WeakPolarHBondContact CA-O 2.89Å; F126-N140 VanDerWaalsContact CB-O 3.27Å; F126-N140 WeakPolarHBondContact CB-O 3.18Å; S127-N140 PolarHBondContact N-O 3.17Å; S127-N140 PolarHBondContact O-N 3.07Å; S127-N140 WeakPolarHBondContact OG-CB 3.24Å; N140-L142 WeakPolarHBondContact ND2-CD2 3.47Å; N140-L142 PolarHBondContact O-N 3.45Å; N140-E186 CarbonylContact C-O 3.46Å; N140-E186 WeakPolarHBondContact CA-O 3.36Å; N140-E186 PolarHBondContact OD1-O 3.46Å; N140-S187 VanDerWaalsContact CG-OG 3.28Å; N140-S187 PolarHBondContact OD1-OG 2.69Å; N140-S187 VanDerWaalsContact OD1-OG 3.09Å; N140-E235 PolarHBondContact ND2-OE1 2.78Å
141I97.3Very high93.1Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-86.3112.3179.1-53.2-56.4000108I124 F126 V139 V160 V162 T173 F184 S185 E186 F188 M204I124-I141 HydrophobicContact CD1-CG2 4.24Å; F126-I141 HydrophobicContact CB-CD1 3.87Å; V139-I141 HydrophobicContact CG1-CD1 3.91Å; I141-V160 HydrophobicContact CG2-CG2 4.31Å; I141-V162 HydrophobicContact CD1-CG2 4.06Å; I141-V162 HydrophobicContact CG1-CG2 4.03Å; I141-T173 HydrophobicContact CB-CG2 4.28Å; I141-T173 HydrophobicContact CG1-CG2 4.42Å; I141-T173 HydrophobicContact CG2-CG2 4.26Å; I141-F184 HydrophobicContact CG2-CB 4.15Å; I141-F184 HydrophobicContact CG2-CD2 3.69Å; I141-F184 HydrophobicContact CG2-CE2 4.4Å; I141-F184 HydrophobicContact CG2-CG 4.1Å; I141-S185 VanDerWaalsContact O-CA 3.31Å; I141-S185 WeakPolarHBondContact O-CA 3.27Å; I141-S185 PolarHBondContact O-N 3.24Å; I141-E186 PolarHBondContact N-O 3.37Å; I141-E186 PolarHBondContact O-N 3.28Å; I141-F188 HydrophobicContact CG1-CD2 4.13Å; I141-F188 HydrophobicContact CG1-CE2 3.85Å; I141-M204 HydrophobicContact CD1-SD 3.57Å; I141-M204 VanDerWaalsContact CD1-SD 3.57Å
142L96.5Very high92.2Very high35 Ų3559.9 Ų59.918%0.18330%0.299CS..EExtended strand (participates in β ladder)trans-90.8-63.8-171.2-63.3176.3000111.4N125 N140 T183 F184 S185 N237N125-L142 HydrophobicContact CB-CB 4.45Å; N125-L142 WeakPolarHBondContact O-CB 3.15Å; N125-L142 PolarHBondContact O-N 3.07Å; N125-L142 WeakPolarHBondContact OD1-CD1 3.43Å; N140-L142 WeakPolarHBondContact ND2-CD2 3.47Å; N140-L142 PolarHBondContact O-N 3.45Å; L142-T183 CarbonylContact O-C 3.55Å; L142-F184 PolarHBondContact O-N 3.47Å; L142-S185 PolarHBondContact O-N 3.44Å; L142-S185 VanDerWaalsContact O-N 3.07Å; L142-N237 WeakPolarHBondContact CD1-ND2 3.33Å
143R96.9Very high91.4Very high117 Ų11758.1 Ų58.144%0.44230%0.303SS..EExtended strand (participates in β ladder)trans-159.9162.9-17761.9-179.9178.5-178.7-0.1112.1N125 P182 T183 W239N125-R143 WeakPolarHBondContact CA-O 3.3Å; N125-R143 HydrophobicContact CB-CG 3.95Å; N125-R143 PolarHBondContact N-O 2.98Å; N125-R143 PolarHBondContact O-N 3.39Å; R143-P182 CarbonylContact C-O 3.54Å; R143-P182 WeakPolarHBondContact CA-O 3.14Å; R143-P182 VanDerWaalsContact CB-O 3.25Å; R143-P182 WeakPolarHBondContact CB-O 3.42Å; R143-T183 HydrophobicContact CB-CG2 4.06Å; R143-W239 HydrophobicContact CG-CH2 4.09Å
144A97.3Very high90.8Very high1 Ų151.8 Ų51.81%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-123.3157164.900000110.3R123 I124 L147 N181 P182 F184R123-A144 CarbonylContact O-C 3.53Å; R123-A144 VanDerWaalsContact O-CA 3.23Å; R123-A144 WeakPolarHBondContact O-CA 3.43Å; I124-A144 HydrophobicContact CB-CB 4.5Å; I124-A144 HydrophobicContact CG1-CB 4.43Å; A144-L147 HydrophobicContact CB-CD1 4.05Å; A144-L147 HydrophobicContact CB-CD2 3.98Å; A144-L147 HydrophobicContact CB-CG 4.12Å; A144-N181 CarbonylContact O-C 3.53Å; A144-N181 WeakPolarHBondContact O-CA 3.49Å; A144-P182 HydrophobicContact CB-CG 3.96Å; A144-P182 PolarHBondContact N-O 3.09Å; A144-F184 HydrophobicContact CB-CE2 4.22Å
145V95.9Very high90.7Very high24 Ų2448.5 Ų48.515%0.14527%0.269CS..EExtended strand (participates in β ladder)trans-134.9151.6179.7-58.90000110.9G122 R123 L147 N181 W239G122-V145 CarbonylContact C-O 3.5Å; G122-V145 WeakPolarHBondContact CA-O 3.49Å; R123-V145 HydrophobicContact CB-CG2 4Å; R123-V145 PolarHBondContact N-O 3.23Å; R123-V145 PolarHBondContact O-N 3Å; V145-L147 PolarHBondContact O-N 3.12Å; V145-N181 WeakPolarHBondContact CA-OD1 3.4Å; V145-N181 WeakPolarHBondContact CB-OD1 3.16Å; V145-W239 HydrophobicContact CG1-CH2 3.91Å; V145-W239 HydrophobicContact CG1-CZ3 4.16Å; V145-W239 HydrophobicContact CG2-CH2 4.24Å; V145-W239 HydrophobicContact CG2-CZ3 3.76Å
146D93.8Very high90.6Very high97 Ų9742.6 Ų42.652%0.51924%0.242SC..SBendtrans5536.3175.5-56.1-39.6000113.9G122 L180 N181G122-D146 WeakPolarHBondContact CA-O 3.33Å; G122-D146 PolarHBondContact N-O 2.89Å; D146-L180 PolarHBondContact N-O 3.05Å; D146-N181 PolarHBondContact N-OD1 3.46Å
147L94Very high90.5Very high4 Ų443.2 Ų43.22%0.02125%0.245CC..PPolyproline II helixtrans-65.2145174.8-60.4-177.4000110.4A144 V145 P158 L180 P182 V206 I218 I242A144-L147 HydrophobicContact CB-CD1 4.05Å; A144-L147 HydrophobicContact CB-CD2 3.98Å; A144-L147 HydrophobicContact CB-CG 4.12Å; V145-L147 PolarHBondContact O-N 3.12Å; L147-P158 HydrophobicContact CD1-CB 3.57Å; L147-P158 HydrophobicContact CD1-CG 3.92Å; L147-L180 HydrophobicContact CB-CB 4.42Å; L147-L180 WeakPolarHBondContact CB-O 3.09Å; L147-L180 WeakPolarHBondContact CG-O 3.27Å; L147-L180 PolarHBondContact N-O 2.94Å; L147-L180 WeakPolarHBondContact O-CB 3.32Å; L147-L180 WeakPolarHBondContact O-CD1 3.43Å; L147-L180 WeakPolarHBondContact O-CD2 3.33Å; L147-P182 HydrophobicContact CD1-CG 3.86Å; L147-V206 HydrophobicContact CD1-CG1 4.29Å; L147-V206 HydrophobicContact CD2-CG1 4.33Å; L147-I218 HydrophobicContact CD1-CD1 4.31Å; L147-I218 HydrophobicContact CD2-CG2 4.2Å; L147-I242 HydrophobicContact CD2-CD1 3.34Å
148P91.2Very high90.6Very high36 Ų3643.2 Ų43.223%0.23425%0.245CC..PPolyproline II helixtrans-68.8141.5174.728.4-34.6000110.9K150 S156 I218P148-K150 PolarHBondContact O-N 2.86Å; P148-S156 PolarHBondContact O-OG 3.2Å; P148-I218 HydrophobicContact CG-CG1 4.45Å; P148-I218 HydrophobicContact CG-CG2 3.66Å
149A89.2Confident90.7Very high50 Ų5040.9 Ų40.941%0.41323%0.233SC..PPolyproline II helixtrans-68.9125.3168.200000110.5G154 S156 L180A149-G154 WeakPolarHBondContact CB-O 3.35Å; A149-S156 WeakPolarHBondContact CA-OG 3.46Å; A149-L180 HydrophobicContact CB-CD1 4.37Å; A149-L180 HydrophobicContact CB-CD2 4.26Å
150K85.1Confident90.8Very high67 Ų6740.9 Ų40.929%0.29123%0.233SC..  trans-112.6-29.7179.5-69-63.4-172.9167.30111.8P148 T155 S156 D208 D216 I218P148-K150 PolarHBondContact O-N 2.86Å; K150-T155 PolarHBondContact N-O 2.84Å; K150-T155 VanDerWaalsContact N-O 3.15Å; K150-S156 PolarHBondContact N-OG 2.95Å; K150-D208 HydrophobicContact CB-CB 3.92Å; K150-D208 WeakPolarHBondContact CB-OD2 3.36Å; K150-D208 HydrophobicContact CG-CB 4.08Å; K150-D216 HydrophobicContact CB-CB 4.37Å; K150-D216 HydrophobicContact CD-CB 4.3Å; K150-D216 HydrophobicContact CG-CB 4.28Å; K150-I218 HydrophobicContact CG-CG1 4.12Å
151D79.9Confident90.7Very high33 Ų3341.4 Ų41.418%0.17623%0.234CC..SBendtrans-72.1150.5172.9-65.2-49.8000112.6C153 G154 T155 S156D151-C153 VanDerWaalsContact CB-SG 3.6Å; D151-C153 PolarHBondContact O-N 2.83Å; D151-G154 PolarHBondContact O-N 3.13Å; D151-T155 VanDerWaalsContact CB-O 3.24Å; D151-T155 WeakPolarHBondContact CB-O 3.45Å; D151-T155 PolarHBondContact N-O 2.85Å; D151-S156 WeakPolarHBondContact OD2-CA 3.37Å
152L74Confident90.5Very high193 Ų19341.4 Ų41.4100%1.0123%0.234SC*.THydrogen-bonded Turntrans-57-20.6170.8-66.2172.1000113.7G154L152-G154 VanDerWaalsContact C-N 3.27Å; L152-G154 PolarHBondContact O-N 3.43Å
153C75.1Confident90.3Very high84 Ų8441.9 Ų41.957%0.56823%0.234SC*.THydrogen-bonded Turntrans-85.65.417965.70000114.1D151 T155D151-C153 VanDerWaalsContact CB-SG 3.6Å; D151-C153 PolarHBondContact O-N 2.83Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact SG-OG1 2.87Å
154G80.6Confident89.9Confident45 Ų4536.4 Ų36.446%0.46421%0.213SC..SBendtrans77.216.4177.800000113.7A149 D151 L152A149-G154 WeakPolarHBondContact CB-O 3.35Å; D151-G154 PolarHBondContact O-N 3.13Å; L152-G154 VanDerWaalsContact C-N 3.27Å; L152-G154 PolarHBondContact O-N 3.43Å
155T89Confident89.3Confident33 Ų3339.4 Ų39.420%0.20223%0.228CC..  trans-124.9-173172.161.70000110.5K150 D151 C153 K178K150-T155 PolarHBondContact N-O 2.84Å; K150-T155 VanDerWaalsContact N-O 3.15Å; D151-T155 VanDerWaalsContact CB-O 3.24Å; D151-T155 WeakPolarHBondContact CB-O 3.45Å; D151-T155 PolarHBondContact N-O 2.85Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact SG-OG1 2.87Å; T155-K178 HydrophobicContact CG2-CB 4.32Å; T155-K178 WeakPolarHBondContact OG1-CA 3.43Å
156S92Very high88.5Confident0 Ų043.2 Ų43.20%025%0.254CS..  trans-138.6158.6167.7-570000107.6P148 A149 K150 D151 P158 K178 T179 D208P148-S156 PolarHBondContact O-OG 3.2Å; A149-S156 WeakPolarHBondContact CA-OG 3.46Å; K150-S156 PolarHBondContact N-OG 2.95Å; D151-S156 WeakPolarHBondContact OD2-CA 3.37Å; S156-P158 WeakPolarHBondContact O-CD 3.49Å; S156-K178 CarbonylContact O-C 3.34Å; S156-K178 WeakPolarHBondContact O-CA 3.31Å; S156-K178 PolarHBondContact O-N 2.82Å; S156-K178 VanDerWaalsContact O-N 3.16Å; S156-T179 PolarHBondContact O-N 3.3Å; S156-T179 VanDerWaalsContact O-O 3.11Å; S156-D208 WeakPolarHBondContact CA-OD1 3.47Å; S156-D208 WeakPolarHBondContact CB-OD1 3.24Å
157D93.4Very high87.7Confident13 Ų1341.9 Ų41.97%0.0725%0.247CC..  trans-102.168.7167.4-74.3-3000110V175 H176 R177 K178 D208 F209D157-V175 HydrophobicContact CB-CG1 3.94Å; D157-H176 CarbonylContact C-O 3.51Å; D157-H176 WeakPolarHBondContact CA-O 3.17Å; D157-R177 WeakPolarHBondContact OD1-CA 3.18Å; D157-R177 WeakPolarHBondContact OD1-CB 3.36Å; D157-R177 IonicContact OD2-NE 2.74Å; D157-R177 PolarHBondContact OD2-NE 2.98Å; D157-R177 IonicContact OD2-NH2 2.67Å; D157-K178 PolarHBondContact OD1-N 3.38Å; D157-D208 WeakPolarHBondContact CA-OD1 3.31Å; D157-D208 PolarHBondContact N-OD1 2.86Å; D157-F209 HydrophobicContact CB-CB 3.93Å; D157-F209 WeakPolarHBondContact CB-O 3.44Å; D157-F209 VanDerWaalsContact O-CB 3.29Å; D157-F209 WeakPolarHBondContact O-CB 3.4Å; D157-F209 PolarHBondContact O-N 2.91Å
158P96Very high86.6Confident0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-69.9146.5-168.428.4-39.7000115.3L147 S156 H176 T179 P182 F207 I218L147-P158 HydrophobicContact CD1-CB 3.57Å; L147-P158 HydrophobicContact CD1-CG 3.92Å; S156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-H176 WeakPolarHBondContact CD-O 3.43Å; P158-H176 PolarHBondContact O-N 3.48Å; P158-T179 WeakPolarHBondContact CD-O 3.17Å; P158-T179 HydrophobicContact CG-CG2 3.99Å; P158-T179 WeakPolarHBondContact CG-O 3.46Å; P158-P182 HydrophobicContact CB-CG 4.05Å; P158-P182 HydrophobicContact CG-CB 3.76Å; P158-P182 HydrophobicContact CG-CG 3.52Å; P158-F207 CarbonylContact C-O 3.56Å; P158-F207 VanDerWaalsContact CA-O 3.22Å; P158-F207 WeakPolarHBondContact CA-O 3.41Å; P158-I218 HydrophobicContact CB-CD1 4.48Å
159Y96.9Very high86Confident1 Ų155.5 Ų55.50%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-148.9159.7166.575-79.5000111.2K161 Q172 V175 F207 F209 H215Y159-K161 HydrophobicContact CD2-CG 4.49Å; Y159-K161 HydrophobicContact CE2-CD 4.37Å; Y159-K161 HydrophobicContact CE2-CG 3.91Å; Y159-K161 WeakPolarHBondContact OH-CE 3.34Å; Y159-K161 PolarHBondContact OH-NZ 3.19Å; Y159-Q172 HydrophobicContact CD2-CG 3.52Å; Y159-Q172 HydrophobicContact CE2-CG 3.83Å; Y159-V175 HydrophobicContact CD1-CG2 4.15Å; Y159-V175 HydrophobicContact CG-CG2 4.14Å; Y159-F207 HydrophobicContact CD1-CB 3.89Å; Y159-F207 HydrophobicContact CE1-CB 3.25Å; Y159-F207 HydrophobicContact CE1-CG 4.22Å; Y159-F207 HydrophobicContact CE2-CB 4.17Å; Y159-F207 HydrophobicContact CE2-CD2 4.38Å; Y159-F207 AromaticContact CZ-CG 3.88Å; Y159-F207 PolarHBondContact N-O 3.4Å; Y159-F207 PolarHBondContact O-N 3.29Å; Y159-F207 WeakPolarHBondContact OH-CB 3.45Å; Y159-F207 WeakPolarHBondContact OH-CG 3.45Å; Y159-F209 HydrophobicContact CD1-CB 3.98Å; Y159-F209 HydrophobicContact CE1-CB 4.16Å; Y159-H215 HydrophobicContact CE1-CB 4.29Å; Y159-H215 AromaticContact CE1-ND1 3.43Å; Y159-H215 WeakPolarHBondContact CE1-ND1 3.39Å; Y159-H215 AromaticContact CZ-ND1 3.42Å; Y159-H215 PolarHBondContact OH-ND1 2.97Å
160V96.6Very high85.8Confident0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans-118.7133.7-175.6-170.80000110.4I124 I141 V162 Q172 T173 F184 M204 S205 V206I124-V160 HydrophobicContact CD1-CG1 4.16Å; I124-V160 HydrophobicContact CD1-CG2 3.98Å; I141-V160 HydrophobicContact CG2-CG2 4.31Å; V160-V162 HydrophobicContact CG1-CG2 4.18Å; V160-Q172 WeakPolarHBondContact O-CA 3.35Å; V160-T173 HydrophobicContact CB-CG2 3.97Å; V160-T173 PolarHBondContact N-OG1 2.86Å; V160-T173 PolarHBondContact O-N 2.98Å; V160-F184 HydrophobicContact CG2-CD2 4.4Å; V160-F184 HydrophobicContact CG2-CE1 4.28Å; V160-F184 HydrophobicContact CG2-CE2 3.74Å; V160-F184 HydrophobicContact CG2-CZ 3.67Å; V160-M204 HydrophobicContact CG1-CB 4.2Å; V160-S205 WeakPolarHBondContact CA-O 3.26Å; V160-V206 HydrophobicContact CG2-CG2 4.27Å
161K93.5Very high86.1Confident36 Ų3658 Ų5816%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-100.8135.8166.3-64.8-178.6-170159.60109.3Y159 Y163 F171 Q172 M204 S205 F207Y159-K161 HydrophobicContact CD2-CG 4.49Å; Y159-K161 HydrophobicContact CE2-CD 4.37Å; Y159-K161 HydrophobicContact CE2-CG 3.91Å; Y159-K161 WeakPolarHBondContact OH-CE 3.34Å; Y159-K161 PolarHBondContact OH-NZ 3.19Å; K161-Y163 HydrophobicContact CB-CE2 3.79Å; K161-F171 WeakPolarHBondContact CA-O 3.18Å; K161-Q172 HydrophobicContact CG-CG 4.18Å; K161-M204 CarbonylContact O-C 3.53Å; K161-M204 WeakPolarHBondContact O-CA 3.22Å; K161-S205 PolarHBondContact N-O 2.85Å; K161-S205 PolarHBondContact O-N 3.2Å; K161-F207 HydrophobicContact CD-CD2 4.13Å; K161-F207 HydrophobicContact CD-CE2 3.74Å; K161-F207 HydrophobicContact CG-CD2 4.25Å; K161-F207 HydrophobicContact CG-CE2 4.23Å
162V94.3Very high86.7Confident0 Ų060.9 Ų60.90%031%0.31CS..EExtended strand (participates in β ladder)trans-123.5129.1-176.6-168.60000109.6V139 I141 V160 K170 F171 F188 F190 L202 H203 M204V139-V162 HydrophobicContact CG1-CG1 4.21Å; I141-V162 HydrophobicContact CD1-CG2 4.06Å; I141-V162 HydrophobicContact CG1-CG2 4.03Å; V160-V162 HydrophobicContact CG1-CG2 4.18Å; V162-K170 WeakPolarHBondContact O-CA 3.48Å; V162-F171 PolarHBondContact N-O 2.72Å; V162-F171 PolarHBondContact O-N 2.89Å; V162-F188 HydrophobicContact CG2-CD2 4.11Å; V162-F188 HydrophobicContact CG2-CE2 4.11Å; V162-F190 HydrophobicContact CB-CZ 4.21Å; V162-F190 HydrophobicContact CG1-CE2 3.89Å; V162-F190 HydrophobicContact CG1-CZ 3.73Å; V162-L202 HydrophobicContact CG1-CD1 3.52Å; V162-H203 WeakPolarHBondContact CA-O 3.05Å; V162-M204 HydrophobicContact CG1-CG 4.1Å; V162-M204 HydrophobicContact CG2-CG 4.29Å
163Y90.6Very high87.8Confident46 Ų4652 Ų5218%0.1826%0.263CS..EExtended strand (participates in β ladder)trans-127.7143.7179.3-54.8-95.3000110.3K161 K170 L202 H203K161-Y163 HydrophobicContact CB-CE2 3.79Å; Y163-K170 HydrophobicContact CD1-CB 3.57Å; Y163-K170 HydrophobicContact CE1-CB 3.28Å; Y163-K170 HydrophobicContact CE1-CD 3.82Å; Y163-K170 HydrophobicContact CE1-CG 4.18Å; Y163-K170 HydrophobicContact CG-CB 4.43Å; Y163-L202 WeakPolarHBondContact O-CD1 3.25Å; Y163-H203 AromaticContact CD2-ND1 3.79Å; Y163-H203 PolarHBondContact N-O 3.5Å; Y163-H203 PolarHBondContact O-N 3.33Å
164L89.5Confident88.8Confident2 Ų257 Ų571%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-110.987.4168.8-17367.8000109.2L137 D167 F190 V192 R200 K201 L202 L226L137-L164 HydrophobicContact CD2-CD1 4.01Å; L164-D167 WeakPolarHBondContact O-CB 3.46Å; L164-D167 PolarHBondContact O-N 3.3Å; L164-F190 HydrophobicContact CB-CB 4.46Å; L164-F190 HydrophobicContact CB-CD1 3.53Å; L164-F190 HydrophobicContact CB-CE1 3.81Å; L164-F190 HydrophobicContact CB-CG 4Å; L164-F190 HydrophobicContact CB-CZ 4.48Å; L164-F190 HydrophobicContact CD2-CB 3.71Å; L164-F190 HydrophobicContact CD2-CD1 4.32Å; L164-F190 HydrophobicContact CD2-CG 4.14Å; L164-V192 HydrophobicContact CD2-CB 4.07Å; L164-V192 HydrophobicContact CD2-CG1 3.9Å; L164-V192 HydrophobicContact CD2-CG2 4.36Å; L164-R200 HydrophobicContact CD1-CB 3.84Å; L164-R200 HydrophobicContact CD1-CG 4.49Å; L164-R200 HydrophobicContact CD2-CG 4.44Å; L164-R200 HydrophobicContact CG-CB 4.15Å; L164-R200 HydrophobicContact CG-CG 4.33Å; L164-K201 CarbonylContact C-O 3.58Å; L164-L202 HydrophobicContact CD1-CB 4.5Å; L164-L226 HydrophobicContact CD1-CD1 4.33Å
165L84.4Confident89.6Confident63 Ų6357.2 Ų57.233%0.3326%0.262SS..EExtended strand (participates in β ladder)trans-63.4142.6-175.4-59177.2000110.9R200 K201 H203L165-R200 WeakPolarHBondContact O-CA 3.18Å; L165-R200 VanDerWaalsContact O-CD 3.31Å; L165-R200 WeakPolarHBondContact O-CD 3.3Å; L165-K201 HydrophobicContact CB-CB 4.24Å; L165-K201 PolarHBondContact N-O 2.98Å; L165-K201 PolarHBondContact O-N 2.8Å; L165-K201 VanDerWaalsContact O-N 3.12Å; L165-H203 HydrophobicContact CD1-CB 3.97Å; L165-H203 HydrophobicContact CG-CB 4.23Å
166P79.8Confident89.9Confident104 Ų10458 Ų5868%0.67526%0.264SS*.THydrogen-bonded Turncis-88.29.69.936.3-37.2000115.1
167D77.5Confident89.9Confident70 Ų7066 Ų6637%0.37429%0.294SS..  trans-63.1147.2178.7-1662.9000110.8L164 K169L164-D167 WeakPolarHBondContact O-CB 3.46Å; L164-D167 PolarHBondContact O-N 3.3Å; D167-K169 PolarHBondContact OD1-N 2.86Å; D167-K169 VanDerWaalsContact OD1-N 3.15Å; D167-K169 WeakPolarHBondContact OD2-CB 3.4Å
168R70.4Confident89.9Confident224 Ų22472.4 Ų72.485%0.84532%0.321SS*.  trans-92-11.7177.4-64.2-175.5173.8-169.6-3.6112.2K170R168-K170 PolarHBondContact O-N 3.13Å
169K77.7Confident89.9Confident102 Ų10274.2 Ų74.244%0.44333%0.332SS..  trans-64.3132.7174.7-168.8178.3179.7-176.30109.9D167 F171D167-K169 PolarHBondContact OD1-N 2.86Å; D167-K169 VanDerWaalsContact OD1-N 3.15Å; D167-K169 WeakPolarHBondContact OD2-CB 3.4Å; K169-F171 HydrophobicContact CD-CE2 4.46Å; K169-F171 HydrophobicContact CD-CZ 4.5Å
170K85.4Confident89.8Confident121 Ų12176.4 Ų76.453%0.52634%0.344SS..EExtended strand (participates in β ladder)trans-126.9145.1-17972.7-170.5178.1-1700111V162 Y163 R168V162-K170 WeakPolarHBondContact O-CA 3.48Å; Y163-K170 HydrophobicContact CD1-CB 3.57Å; Y163-K170 HydrophobicContact CE1-CB 3.28Å; Y163-K170 HydrophobicContact CE1-CD 3.82Å; Y163-K170 HydrophobicContact CE1-CG 4.18Å; Y163-K170 HydrophobicContact CG-CB 4.43Å; R168-K170 PolarHBondContact O-N 3.13Å
171F91.2Very high89.7Confident48 Ų4880.3 Ų80.321%0.21137%0.365CS..EExtended strand (participates in β ladder)trans-111.6158.4166.6-67.3-85.3000110.2K161 V162 K169 F188 Q189 F190K161-F171 WeakPolarHBondContact CA-O 3.18Å; V162-F171 PolarHBondContact N-O 2.72Å; V162-F171 PolarHBondContact O-N 2.89Å; K169-F171 HydrophobicContact CD-CE2 4.46Å; K169-F171 HydrophobicContact CD-CZ 4.5Å; F171-F188 HydrophobicContact CB-CB 4.13Å; F171-F188 HydrophobicContact CB-CD1 3.44Å; F171-F188 VanDerWaalsContact CB-CD1 3.44Å; F171-F188 HydrophobicContact CB-CD2 4.22Å; F171-F188 HydrophobicContact CB-CE1 3.83Å; F171-F188 HydrophobicContact CB-CG 3.65Å; F171-F188 HydrophobicContact CB-CZ 4.36Å; F171-F188 HydrophobicContact CD1-CB 4.37Å; F171-F188 AromaticContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CE1 4.42Å; F171-F188 HydrophobicContact CD1-CG 4.34Å; F171-F188 HydrophobicContact CD2-CB 4.13Å; F171-F188 HydrophobicContact CG-CB 3.96Å; F171-F188 AromaticContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CE1 4.47Å; F171-F188 AromaticContact CG-CG 3.96Å; F171-F188 HydrophobicContact CG-CG 3.96Å; F171-Q189 WeakPolarHBondContact CE2-O 3.35Å; F171-Q189 VanDerWaalsContact CZ-O 3.23Å; F171-Q189 WeakPolarHBondContact CZ-O 3.25Å; F171-F190 HydrophobicContact CD2-CD1 4.15Å; F171-F190 AromaticContact CD2-CE1 3.49Å; F171-F190 HydrophobicContact CD2-CE1 3.49Å; F171-F190 VanDerWaalsContact CD2-CE1 3.49Å; F171-F190 AromaticContact CD2-CE2 3.97Å; F171-F190 HydrophobicContact CD2-CE2 3.97Å; F171-F190 AromaticContact CD2-CZ 3.4Å; F171-F190 HydrophobicContact CD2-CZ 3.4Å; F171-F190 VanDerWaalsContact CD2-CZ 3.4Å; F171-F190 AromaticContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD2 4.46Å; F171-F190 AromaticContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE2 4.3Å; F171-F190 HydrophobicContact CE2-CG 4.25Å; F171-F190 AromaticContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CG-CZ 4.49Å
172Q93.1Very high89.9Confident94 Ų9478.7 Ų78.744%0.43936%0.358SS..EExtended strand (participates in β ladder)trans-141.5135.1-177.9-166.8-173.2-60.300109.7Y159 V160 K161Y159-Q172 HydrophobicContact CD2-CG 3.52Å; Y159-Q172 HydrophobicContact CE2-CG 3.83Å; V160-Q172 WeakPolarHBondContact O-CA 3.35Å; K161-Q172 HydrophobicContact CG-CG 4.18Å
173T96.9Very high90Very high5 Ų582.8 Ų82.83%0.03138%0.383CS..PPolyproline II helixtrans-73.5168.4170.9690000111.3I141 V160 F184 E186 F188I141-T173 HydrophobicContact CB-CG2 4.28Å; I141-T173 HydrophobicContact CG1-CG2 4.42Å; I141-T173 HydrophobicContact CG2-CG2 4.26Å; V160-T173 HydrophobicContact CB-CG2 3.97Å; V160-T173 PolarHBondContact N-OG1 2.86Å; V160-T173 PolarHBondContact O-N 2.98Å; T173-F184 HydrophobicContact CG2-CB 4.39Å; T173-F184 HydrophobicContact CG2-CD1 4.11Å; T173-F184 HydrophobicContact CG2-CG 4.28Å; T173-E186 WeakPolarHBondContact CA-OE1 3.24Å; T173-E186 VanDerWaalsContact CB-OE1 3.31Å; T173-E186 WeakPolarHBondContact CB-OE1 3.33Å; T173-E186 HydrophobicContact CG2-CB 4.49Å; T173-F188 HydrophobicContact CG2-CE2 3.85Å; T173-F188 HydrophobicContact CG2-CZ 3.84Å
174R96.3Very high90.3Very high190 Ų19081.2 Ų81.272%0.71738%0.377SS*.PPolyproline II helixtrans-64.9155.8164.3-61.4176.4-172.4-1702.2110.3E186R174-E186 WeakPolarHBondContact CB-OE1 3.45Å; R174-E186 PolarHBondContact N-OE1 3.48Å; R174-E186 PolarHBondContact N-OE2 3.15Å
175V96.3Very high90.5Very high49 Ų4985.3 Ų85.330%0.29741%0.406SS..PPolyproline II helixtrans-85.1124174.5178.10000108.7D157 Y159 F209D157-V175 HydrophobicContact CB-CG1 3.94Å; Y159-V175 HydrophobicContact CD1-CG2 4.15Å; Y159-V175 HydrophobicContact CG-CG2 4.14Å; V175-F209 HydrophobicContact CB-CB 4.4Å; V175-F209 HydrophobicContact CG1-CB 3.48Å; V175-F209 VanDerWaalsContact CG1-CB 3.48Å; V175-F209 HydrophobicContact CG1-CD1 4.15Å; V175-F209 HydrophobicContact CG1-CG 3.81Å; V175-F209 HydrophobicContact CG2-CB 3.96Å; V175-F209 HydrophobicContact CG2-CD2 3.88Å; V175-F209 HydrophobicContact CG2-CG 3.97Å
176H95.5Very high91.1Very high51 Ų5184 Ų8424%0.23640%0.398CS..PPolyproline II helixtrans-100.1122.6173.9-73.1-100.6000109.1D157 P158 T179 P182 T183 F184D157-H176 CarbonylContact C-O 3.51Å; D157-H176 WeakPolarHBondContact CA-O 3.17Å; P158-H176 WeakPolarHBondContact CD-O 3.43Å; P158-H176 PolarHBondContact O-N 3.48Å; H176-T179 HydrophobicContact CB-CG2 3.72Å; H176-P182 HydrophobicContact CB-CB 3.9Å; H176-T183 PolarHBondContact CE1-O 3.49Å; H176-T183 PolarHBondContact NE2-O 3.08Å; H176-F184 AromaticContact CD2-CD1 3.43Å; H176-F184 VanDerWaalsContact CD2-CD1 3.43Å; H176-F184 WeakPolarHBondContact CD2-CD1 3.15Å; H176-F184 AromaticContact CD2-CE1 3.61Å; H176-F184 AromaticContact NE2-CD1 3.63Å
177R93.7Very high91.9Very high167 Ų16783 Ų8363%0.6339%0.394SS*.PPolyproline II helixtrans-88.4141.9-170.6-51.9-172.285.3163.48.2112.4D157 T179D157-R177 WeakPolarHBondContact OD1-CA 3.18Å; D157-R177 WeakPolarHBondContact OD1-CB 3.36Å; D157-R177 IonicContact OD2-NE 2.74Å; D157-R177 PolarHBondContact OD2-NE 2.98Å; D157-R177 IonicContact OD2-NH2 2.67Å; R177-T179 PolarHBondContact O-N 3.47Å
178K92.6Very high92.7Very high148 Ų14880.7 Ų80.764%0.64338%0.381SS*.SBendtrans51.249.9171.6-58.2-176.4177.2-174.40113.2T155 S156 D157T155-K178 HydrophobicContact CG2-CB 4.32Å; T155-K178 WeakPolarHBondContact OG1-CA 3.43Å; S156-K178 CarbonylContact O-C 3.34Å; S156-K178 WeakPolarHBondContact O-CA 3.31Å; S156-K178 PolarHBondContact O-N 2.82Å; S156-K178 VanDerWaalsContact O-N 3.16Å; D157-K178 PolarHBondContact OD1-N 3.38Å
179T95.1Very high93.9Very high37 Ų3774 Ų7423%0.22736%0.359CS..  trans-142.8139.9179.6-176.80000112S156 P158 H176 R177 N181 P182S156-T179 PolarHBondContact O-N 3.3Å; S156-T179 VanDerWaalsContact O-O 3.11Å; P158-T179 WeakPolarHBondContact CD-O 3.17Å; P158-T179 HydrophobicContact CG-CG2 3.99Å; P158-T179 WeakPolarHBondContact CG-O 3.46Å; H176-T179 HydrophobicContact CB-CG2 3.72Å; R177-T179 PolarHBondContact O-N 3.47Å; T179-N181 PolarHBondContact OG1-N 3.24Å; T179-N181 VanDerWaalsContact OG1-N 3.11Å; T179-P182 HydrophobicContact CG2-CB 3.94Å
180L94.5Very high94.7Very high47 Ų4769.3 Ų69.325%0.24634%0.339CS..SBendtrans-99.3-2.8171.4-56.2-177.3000112.2D146 L147 A149D146-L180 PolarHBondContact N-O 3.05Å; L147-L180 HydrophobicContact CB-CB 4.42Å; L147-L180 WeakPolarHBondContact CB-O 3.09Å; L147-L180 WeakPolarHBondContact CG-O 3.27Å; L147-L180 PolarHBondContact N-O 2.94Å; L147-L180 WeakPolarHBondContact O-CB 3.32Å; L147-L180 WeakPolarHBondContact O-CD1 3.43Å; L147-L180 WeakPolarHBondContact O-CD2 3.33Å; A149-L180 HydrophobicContact CB-CD1 4.37Å; A149-L180 HydrophobicContact CB-CD2 4.26Å
181N96.1Very high95.1Very high83 Ų8367.9 Ų67.944%0.44434%0.342SS..SBendtrans-133.461.9-178-60.7-80.2000110.2A144 V145 D146 T179A144-N181 CarbonylContact O-C 3.53Å; A144-N181 WeakPolarHBondContact O-CA 3.49Å; V145-N181 WeakPolarHBondContact CA-OD1 3.4Å; V145-N181 WeakPolarHBondContact CB-OD1 3.16Å; D146-N181 PolarHBondContact N-OD1 3.46Å; T179-N181 PolarHBondContact OG1-N 3.24Å; T179-N181 VanDerWaalsContact OG1-N 3.11Å
182P96.6Very high95.1Very high1 Ų165.7 Ų65.71%0.00633%0.332CS..  trans-68.8142-176.530.7-37.7000111.9R143 A144 L147 P158 H176 T179 F184R143-P182 CarbonylContact C-O 3.54Å; R143-P182 WeakPolarHBondContact CA-O 3.14Å; R143-P182 VanDerWaalsContact CB-O 3.25Å; R143-P182 WeakPolarHBondContact CB-O 3.42Å; A144-P182 HydrophobicContact CB-CG 3.96Å; A144-P182 PolarHBondContact N-O 3.09Å; L147-P182 HydrophobicContact CD1-CG 3.86Å; P158-P182 HydrophobicContact CB-CG 4.05Å; P158-P182 HydrophobicContact CG-CB 3.76Å; P158-P182 HydrophobicContact CG-CG 3.52Å; H176-P182 HydrophobicContact CB-CB 3.9Å; T179-P182 HydrophobicContact CG2-CB 3.94Å; P182-F184 HydrophobicContact CB-CE1 3.96Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CZ 3.62Å; P182-F184 HydrophobicContact CG-CD2 4.49Å; P182-F184 HydrophobicContact CG-CE1 4.21Å; P182-F184 HydrophobicContact CG-CE2 3.54Å; P182-F184 HydrophobicContact CG-CZ 3.37Å
183T97Very high95.1Very high87 Ų8763.7 Ų63.753%0.53433%0.328SS..EExtended strand (participates in β ladder)trans-109.7103168.253.30000108.9L142 R143 H176L142-T183 CarbonylContact O-C 3.55Å; R143-T183 HydrophobicContact CB-CG2 4.06Å; H176-T183 PolarHBondContact CE1-O 3.49Å; H176-T183 PolarHBondContact NE2-O 3.08Å
184F96.3Very high94.8Very high12 Ų1267.7 Ų67.75%0.05334%0.343CS..EExtended strand (participates in β ladder)trans-80.6-55.6-176.2-57.6-75.2000111I141 L142 A144 V160 T173 H176 P182 E186I141-F184 HydrophobicContact CG2-CB 4.15Å; I141-F184 HydrophobicContact CG2-CD2 3.69Å; I141-F184 HydrophobicContact CG2-CE2 4.4Å; I141-F184 HydrophobicContact CG2-CG 4.1Å; L142-F184 PolarHBondContact O-N 3.47Å; A144-F184 HydrophobicContact CB-CE2 4.22Å; V160-F184 HydrophobicContact CG2-CD2 4.4Å; V160-F184 HydrophobicContact CG2-CE1 4.28Å; V160-F184 HydrophobicContact CG2-CE2 3.74Å; V160-F184 HydrophobicContact CG2-CZ 3.67Å; T173-F184 HydrophobicContact CG2-CB 4.39Å; T173-F184 HydrophobicContact CG2-CD1 4.11Å; T173-F184 HydrophobicContact CG2-CG 4.28Å; H176-F184 AromaticContact CD2-CD1 3.43Å; H176-F184 VanDerWaalsContact CD2-CD1 3.43Å; H176-F184 WeakPolarHBondContact CD2-CD1 3.15Å; H176-F184 AromaticContact CD2-CE1 3.61Å; H176-F184 AromaticContact NE2-CD1 3.63Å; P182-F184 HydrophobicContact CB-CE1 3.96Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CZ 3.62Å; P182-F184 HydrophobicContact CG-CD2 4.49Å; P182-F184 HydrophobicContact CG-CE1 4.21Å; P182-F184 HydrophobicContact CG-CE2 3.54Å; P182-F184 HydrophobicContact CG-CZ 3.37Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.49Å
185S95.1Very high94.5Very high89 Ų8965.4 Ų65.462%0.62235%0.345SS*.EExtended strand (participates in β ladder)trans50.348.6-173.9-580000112.9I141 L142I141-S185 VanDerWaalsContact O-CA 3.31Å; I141-S185 WeakPolarHBondContact O-CA 3.27Å; I141-S185 PolarHBondContact O-N 3.24Å; L142-S185 PolarHBondContact O-N 3.44Å; L142-S185 VanDerWaalsContact O-N 3.07Å
186E96.6Very high94.3Very high34 Ų3467 Ų6716%0.15935%0.349CS..EExtended strand (participates in β ladder)trans-117.8133-177.4-70.7-176.6-113.500111.4N140 I141 T173 R174 F184 F188N140-E186 CarbonylContact C-O 3.46Å; N140-E186 WeakPolarHBondContact CA-O 3.36Å; N140-E186 PolarHBondContact OD1-O 3.46Å; I141-E186 PolarHBondContact N-O 3.37Å; I141-E186 PolarHBondContact O-N 3.28Å; T173-E186 WeakPolarHBondContact CA-OE1 3.24Å; T173-E186 VanDerWaalsContact CB-OE1 3.31Å; T173-E186 WeakPolarHBondContact CB-OE1 3.33Å; T173-E186 HydrophobicContact CG2-CB 4.49Å; R174-E186 WeakPolarHBondContact CB-OE1 3.45Å; R174-E186 PolarHBondContact N-OE1 3.48Å; R174-E186 PolarHBondContact N-OE2 3.15Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.49Å; E186-F188 HydrophobicContact CB-CE2 4.35Å; E186-F188 HydrophobicContact CB-CZ 4.05Å
187S95.6Very high93.9Very high85 Ų8564.5 Ų64.559%0.59434%0.338SS*.EExtended strand (participates in β ladder)trans-109.7135.7-178.6-560000112.2V139 N140V139-S187 WeakPolarHBondContact O-CA 3.31Å; N140-S187 VanDerWaalsContact CG-OG 3.28Å; N140-S187 PolarHBondContact OD1-OG 2.69Å; N140-S187 VanDerWaalsContact OD1-OG 3.09Å
188F95.8Very high93.7Very high20 Ų2060.1 Ų60.19%0.08833%0.33CS..EExtended strand (participates in β ladder)trans-123.9143.3-179.9-54.7-64.3000110.5L138 V139 I141 V162 F171 T173 E186 F190L138-F188 WeakPolarHBondContact CA-O 3.48Å; V139-F188 PolarHBondContact N-O 3.05Å; V139-F188 PolarHBondContact O-N 3.42Å; I141-F188 HydrophobicContact CG1-CD2 4.13Å; I141-F188 HydrophobicContact CG1-CE2 3.85Å; V162-F188 HydrophobicContact CG2-CD2 4.11Å; V162-F188 HydrophobicContact CG2-CE2 4.11Å; F171-F188 HydrophobicContact CB-CB 4.13Å; F171-F188 HydrophobicContact CB-CD1 3.44Å; F171-F188 VanDerWaalsContact CB-CD1 3.44Å; F171-F188 HydrophobicContact CB-CD2 4.22Å; F171-F188 HydrophobicContact CB-CE1 3.83Å; F171-F188 HydrophobicContact CB-CG 3.65Å; F171-F188 HydrophobicContact CB-CZ 4.36Å; F171-F188 HydrophobicContact CD1-CB 4.37Å; F171-F188 AromaticContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CE1 4.42Å; F171-F188 HydrophobicContact CD1-CG 4.34Å; F171-F188 HydrophobicContact CD2-CB 4.13Å; F171-F188 HydrophobicContact CG-CB 3.96Å; F171-F188 AromaticContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CE1 4.47Å; F171-F188 AromaticContact CG-CG 3.96Å; F171-F188 HydrophobicContact CG-CG 3.96Å; T173-F188 HydrophobicContact CG2-CE2 3.85Å; T173-F188 HydrophobicContact CG2-CZ 3.84Å; E186-F188 HydrophobicContact CB-CE2 4.35Å; E186-F188 HydrophobicContact CB-CZ 4.05Å; F188-F190 HydrophobicContact CB-CE2 4.22Å
189Q94.9Very high93.5Very high84 Ų8458.4 Ų58.439%0.39333%0.332SS..EExtended strand (participates in β ladder)trans-116.3123.2-179.6-174.5177.414.200110.2A136 L138 F171A136-Q189 HydrophobicContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-NE2 3.31Å; L138-Q189 HydrophobicContact CD2-CB 3.88Å; L138-Q189 HydrophobicContact CD2-CG 3.8Å; F171-Q189 WeakPolarHBondContact CE2-O 3.35Å; F171-Q189 VanDerWaalsContact CZ-O 3.23Å; F171-Q189 WeakPolarHBondContact CZ-O 3.25Å
190F94.1Very high93.1Very high3 Ų358.5 Ų58.51%0.01333%0.328CS..EExtended strand (participates in β ladder)trans-108.2110.2174.7-67-90.5000109.4A136 L137 V139 V162 L164 F171 F188 V192A136-F190 CarbonylContact C-O 3.54Å; A136-F190 VanDerWaalsContact CA-O 3.24Å; A136-F190 WeakPolarHBondContact CA-O 3.45Å; A136-F190 WeakPolarHBondContact CB-O 2.94Å; L137-F190 HydrophobicContact CB-CB 4.39Å; L137-F190 PolarHBondContact N-O 2.69Å; L137-F190 PolarHBondContact O-N 3.35Å; V139-F190 HydrophobicContact CB-CE2 4.21Å; V139-F190 HydrophobicContact CG2-CD2 3.81Å; V139-F190 HydrophobicContact CG2-CE2 3.8Å; V162-F190 HydrophobicContact CB-CZ 4.21Å; V162-F190 HydrophobicContact CG1-CE2 3.89Å; V162-F190 HydrophobicContact CG1-CZ 3.73Å; L164-F190 HydrophobicContact CB-CB 4.46Å; L164-F190 HydrophobicContact CB-CD1 3.53Å; L164-F190 HydrophobicContact CB-CE1 3.81Å; L164-F190 HydrophobicContact CB-CG 4Å; L164-F190 HydrophobicContact CB-CZ 4.48Å; L164-F190 HydrophobicContact CD2-CB 3.71Å; L164-F190 HydrophobicContact CD2-CD1 4.32Å; L164-F190 HydrophobicContact CD2-CG 4.14Å; F171-F190 HydrophobicContact CD2-CD1 4.15Å; F171-F190 AromaticContact CD2-CE1 3.49Å; F171-F190 HydrophobicContact CD2-CE1 3.49Å; F171-F190 VanDerWaalsContact CD2-CE1 3.49Å; F171-F190 AromaticContact CD2-CE2 3.97Å; F171-F190 HydrophobicContact CD2-CE2 3.97Å; F171-F190 AromaticContact CD2-CZ 3.4Å; F171-F190 HydrophobicContact CD2-CZ 3.4Å; F171-F190 VanDerWaalsContact CD2-CZ 3.4Å; F171-F190 AromaticContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD2 4.46Å; F171-F190 AromaticContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE2 4.3Å; F171-F190 HydrophobicContact CE2-CG 4.25Å; F171-F190 AromaticContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CG-CZ 4.49Å; F188-F190 HydrophobicContact CB-CE2 4.22Å; F190-V192 PolarHBondContact O-N 2.94Å
191P93.3Very high92.9Very high91 Ų9160 Ų6059%0.59133%0.333SS*.EExtended strand (participates in β ladder)trans-63.5116172.8-18.131.4000109.5
192V92.3Very high92.7Very high2 Ų256 Ų561%0.01231%0.312CS..  trans-159127.5-178.862.10000109.8Y130 E135 L137 L164 F190 E196 L197 R200Y130-V192 HydrophobicContact CE2-CG1 4.34Å; Y130-V192 WeakPolarHBondContact CE2-O 3.5Å; Y130-V192 PolarHBondContact OH-O 3.14Å; E135-V192 CarbonylContact C-O 3.47Å; E135-V192 CarbonylContact O-C 3.53Å; E135-V192 PolarHBondContact O-N 2.84Å; L137-V192 HydrophobicContact CB-CG1 3.89Å; L164-V192 HydrophobicContact CD2-CB 4.07Å; L164-V192 HydrophobicContact CD2-CG1 3.9Å; L164-V192 HydrophobicContact CD2-CG2 4.36Å; F190-V192 PolarHBondContact O-N 2.94Å; V192-E196 HydrophobicContact CG2-CB 4.01Å; V192-L197 HydrophobicContact CG1-CD2 3.56Å; V192-L197 HydrophobicContact CG1-CG 4.4Å; V192-L197 HydrophobicContact CG2-CD2 4.34Å; V192-R200 HydrophobicContact CG2-CG 4.13Å
193P93.1Very high92.5Very high53 Ų5357.3 Ų57.334%0.34432%0.318SS..  trans-60.3145.2173.7-22.833.7000111.6D195 E196P193-D195 VanDerWaalsContact C-N 3.25Å; P193-D195 PolarHBondContact O-N 3.24Å; P193-E196 HydrophobicContact CB-CG 4.36Å; P193-E196 HydrophobicContact CG-CG 4.44Å; P193-E196 PolarHBondContact O-N 2.74Å
194Y90.4Very high92.4Very high88 Ų8853.2 Ų53.235%0.34529%0.292SS..G310 helixtrans-57.6-40.4-176.4-174.8-97.2000112.2Y130 Y132 E196 L197 F227Y130-Y194 AromaticContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CE2 4.32Å; Y130-Y194 AromaticContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CG 4.23Å; Y130-Y194 HydrophobicContact CG-CD2 4.06Å; Y130-Y194 PolarHBondContact OH-N 2.67Å; Y132-Y194 HydrophobicContact CD1-CD2 4.44Å; Y132-Y194 AromaticContact CE1-CD2 3.62Å; Y132-Y194 HydrophobicContact CE1-CD2 3.62Å; Y132-Y194 AromaticContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CG 4.24Å; Y132-Y194 AromaticContact CZ-CE2 3.81Å; Y132-Y194 VanDerWaalsContact OH-CE2 3.28Å; Y132-Y194 WeakPolarHBondContact OH-CE2 3.23Å; Y194-E196 PolarHBondContact O-N 2.82Å; Y194-L197 HydrophobicContact CD2-CD1 3.83Å; Y194-L197 HydrophobicContact CE2-CD1 4.34Å; Y194-L197 HydrophobicContact CG-CD1 4.41Å; Y194-L197 WeakPolarHBondContact O-CB 3.43Å; Y194-L197 WeakPolarHBondContact O-CG 3.25Å; Y194-L197 PolarHBondContact O-N 2.99Å; Y194-F227 HydrophobicContact CE1-CE1 4.26Å; Y194-F227 HydrophobicContact CE1-CZ 4.31Å; Y194-F227 AromaticContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CZ 4.17Å; Y194-F227 AromaticContact CZ-CE1 3.59Å; Y194-F227 AromaticContact CZ-CZ 4Å; Y194-F227 WeakPolarHBondContact OH-CE1 3.03Å
195D90.6Very high92.2Very high143 Ų14352.9 Ų52.977%0.76529%0.292SS*.G310 helixtrans-67.2-19.5-178.8-61.6-22.4000113.5P193 P198P193-D195 VanDerWaalsContact C-N 3.25Å; P193-D195 PolarHBondContact O-N 3.24Å; D195-P198 VanDerWaalsContact O-CD 3.3Å; D195-P198 WeakPolarHBondContact O-CD 3.31Å
196E90.5Very high92.2Very high81 Ų8148.6 Ų48.638%0.37926%0.262SS..G310 helixtrans-87.3-19.4177.1-68.7-171.3-166.600112.9V192 P193 Y194 P198 V199 R200V192-E196 HydrophobicContact CG2-CB 4.01Å; P193-E196 HydrophobicContact CB-CG 4.36Å; P193-E196 HydrophobicContact CG-CG 4.44Å; P193-E196 PolarHBondContact O-N 2.74Å; Y194-E196 PolarHBondContact O-N 2.82Å; E196-P198 VanDerWaalsContact C-N 3.3Å; E196-V199 WeakPolarHBondContact O-CG2 3.37Å; E196-V199 PolarHBondContact O-N 2.84Å; E196-V199 VanDerWaalsContact O-N 3.12Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.86Å; E196-R200 IonicContact OE2-CZ 2.74Å; E196-R200 IonicContact OE2-NE 3.58Å; E196-R200 IonicContact OE2-NH2 3.68Å; E196-R200 PolarHBondContact OE2-NH2 2.75Å
197L88.5Confident91.9Very high0 Ų047.6 Ų47.60%026%0.257CS..G310 helixtrans-52.5-36.6-178.8-69.7172.1000114.8Y130 L137 V192 Y194 V199 R200 L226 F227 L232Y130-L197 HydrophobicContact CD2-CD1 3.61Å; Y130-L197 HydrophobicContact CE2-CD1 3.77Å; Y130-L197 HydrophobicContact CE2-CG 4.38Å; Y130-L197 HydrophobicContact CG-CD1 4.24Å; L137-L197 HydrophobicContact CB-CD2 4.31Å; L137-L197 HydrophobicContact CD2-CD2 4.35Å; V192-L197 HydrophobicContact CG1-CD2 3.56Å; V192-L197 HydrophobicContact CG1-CG 4.4Å; V192-L197 HydrophobicContact CG2-CD2 4.34Å; Y194-L197 HydrophobicContact CD2-CD1 3.83Å; Y194-L197 HydrophobicContact CE2-CD1 4.34Å; Y194-L197 HydrophobicContact CG-CD1 4.41Å; Y194-L197 WeakPolarHBondContact O-CB 3.43Å; Y194-L197 WeakPolarHBondContact O-CG 3.25Å; Y194-L197 PolarHBondContact O-N 2.99Å; L197-V199 PolarHBondContact O-N 3.35Å; L197-R200 PolarHBondContact O-N 3.11Å; L197-R200 VanDerWaalsContact O-N 3.15Å; L197-L226 HydrophobicContact CD2-CD1 4.04Å; L197-F227 HydrophobicContact CB-CE2 3.53Å; L197-F227 HydrophobicContact CB-CZ 3.68Å; L197-F227 HydrophobicContact CD1-CZ 3.91Å; L197-F227 HydrophobicContact CG-CZ 4.48Å; L197-L232 HydrophobicContact CD1-CD1 3.81Å
198P88.4Confident91.7Very high74 Ų7443.6 Ų43.648%0.48123%0.229SC..G310 helixtrans-63.8-23.9-179.3-21.732.6000114.2D195 E196 F227D195-P198 VanDerWaalsContact O-CD 3.3Å; D195-P198 WeakPolarHBondContact O-CD 3.31Å; E196-P198 VanDerWaalsContact C-N 3.3Å; P198-F227 HydrophobicContact CB-CE2 4.33Å; P198-F227 HydrophobicContact CG-CD2 4.28Å; P198-F227 HydrophobicContact CG-CE2 3.63Å; P198-F227 HydrophobicContact CG-CZ 4.44Å
199V87.7Confident91.4Very high113 Ų11345.5 Ų45.569%0.68524%0.237SC*.G310 helixtrans-100.3-2.4179.3-61.80000112.8E196 L197E196-V199 WeakPolarHBondContact O-CG2 3.37Å; E196-V199 PolarHBondContact O-N 2.84Å; E196-V199 VanDerWaalsContact O-N 3.12Å; L197-V199 PolarHBondContact O-N 3.35Å
200R87.5Confident90.5Very high38 Ų3843.1 Ų43.114%0.14323%0.227CC..  trans-89.7149.3177-62.6-54.7-174.1116.60.5111.1L164 L165 V192 E196 L197L164-R200 HydrophobicContact CD1-CB 3.84Å; L164-R200 HydrophobicContact CD1-CG 4.49Å; L164-R200 HydrophobicContact CD2-CG 4.44Å; L164-R200 HydrophobicContact CG-CB 4.15Å; L164-R200 HydrophobicContact CG-CG 4.33Å; L165-R200 WeakPolarHBondContact O-CA 3.18Å; L165-R200 VanDerWaalsContact O-CD 3.31Å; L165-R200 WeakPolarHBondContact O-CD 3.3Å; V192-R200 HydrophobicContact CG2-CG 4.13Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.86Å; E196-R200 IonicContact OE2-CZ 2.74Å; E196-R200 IonicContact OE2-NE 3.58Å; E196-R200 IonicContact OE2-NH2 3.68Å; E196-R200 PolarHBondContact OE2-NH2 2.75Å; L197-R200 PolarHBondContact O-N 3.11Å; L197-R200 VanDerWaalsContact O-N 3.15Å
201K90.3Very high89.7Confident78 Ų7851.9 Ų51.934%0.33926%0.26SS..EExtended strand (participates in β ladder)trans-120.6127.4173.2-50.1-173.5171.9-172.30110.3L164 L165 L223 E224L164-K201 CarbonylContact C-O 3.58Å; L165-K201 HydrophobicContact CB-CB 4.24Å; L165-K201 PolarHBondContact N-O 2.98Å; L165-K201 PolarHBondContact O-N 2.8Å; L165-K201 VanDerWaalsContact O-N 3.12Å; K201-L223 CarbonylContact C-O 3.52Å; K201-L223 VanDerWaalsContact CA-O 3.26Å; K201-L223 WeakPolarHBondContact CA-O 3.2Å; K201-E224 HydrophobicContact CD-CB 4.28Å; K201-E224 HydrophobicContact CD-CG 3.97Å; K201-E224 HydrophobicContact CG-CB 4.38Å; K201-E224 IonicContact NZ-OE1 3.66Å; K201-E224 PolarHBondContact NZ-OE1 3Å; K201-E224 IonicContact NZ-OE2 2.72Å
202L92.3Very high88.2Confident0 Ų056.5 Ų56.50%027%0.271CS..EExtended strand (participates in β ladder)trans-86118.4172.7178.463.3000108.7L128 V139 V162 Y163 L164 L223 L226L128-L202 HydrophobicContact CD1-CD2 4.29Å; L128-L202 HydrophobicContact CD2-CD2 3.5Å; V139-L202 HydrophobicContact CG1-CD1 4.44Å; V139-L202 HydrophobicContact CG1-CD2 4Å; V139-L202 HydrophobicContact CG2-CD1 4.12Å; V139-L202 HydrophobicContact CG2-CD2 4.06Å; V162-L202 HydrophobicContact CG1-CD1 3.52Å; Y163-L202 WeakPolarHBondContact O-CD1 3.25Å; L164-L202 HydrophobicContact CD1-CB 4.5Å; L202-L223 HydrophobicContact CB-CB 4.26Å; L202-L223 HydrophobicContact CB-CD1 4.28Å; L202-L223 HydrophobicContact CD2-CD1 3.89Å; L202-L223 HydrophobicContact CG-CD1 4.31Å; L202-L223 PolarHBondContact N-O 3.04Å; L202-L223 PolarHBondContact O-N 2.86Å; L202-L226 HydrophobicContact CB-CD2 3.71Å
203H92.1Very high86.6Confident29 Ų2959.6 Ų59.613%0.13429%0.293CS..EExtended strand (participates in β ladder)trans-116.7123.6-179.7178.2-132.1000110V162 Y163 L165 S205 E220 V222V162-H203 WeakPolarHBondContact CA-O 3.05Å; Y163-H203 AromaticContact CD2-ND1 3.79Å; Y163-H203 PolarHBondContact N-O 3.5Å; Y163-H203 PolarHBondContact O-N 3.33Å; L165-H203 HydrophobicContact CD1-CB 3.97Å; L165-H203 HydrophobicContact CG-CB 4.23Å; H203-S205 PolarHBondContact CE1-OG 2.93Å; H203-S205 VanDerWaalsContact CE1-OG 3.24Å; H203-E220 IonicContact CD2-OE2 3.08Å; H203-E220 IonicContact CE1-OE2 2.69Å; H203-E220 IonicContact NE2-OE2 3.6Å; H203-E220 PolarHBondContact NE2-OE2 2.94Å; H203-V222 VanDerWaalsContact CD2-CG2 3.45Å; H203-V222 WeakPolarHBondContact CD2-CG2 3.31Å
204M94.1Very high85.1Confident0 Ų062.6 Ų62.60%030%0.298CS..EExtended strand (participates in β ladder)trans-118.6124.6178.4-67.2175.1-70.600109F126 I141 V160 K161 V162 E220 V221 L223F126-M204 HydrophobicContact CD1-CE 3.7Å; F126-M204 HydrophobicContact CD1-SD 4.1Å; F126-M204 HydrophobicContact CD2-CE 4.14Å; F126-M204 HydrophobicContact CD2-SD 4.38Å; F126-M204 HydrophobicContact CE1-CE 3.54Å; F126-M204 HydrophobicContact CE2-CE 3.95Å; F126-M204 HydrophobicContact CG-CE 4.04Å; F126-M204 HydrophobicContact CG-SD 4.07Å; F126-M204 HydrophobicContact CZ-CE 3.69Å; I141-M204 HydrophobicContact CD1-SD 3.57Å; I141-M204 VanDerWaalsContact CD1-SD 3.57Å; V160-M204 HydrophobicContact CG1-CB 4.2Å; K161-M204 CarbonylContact O-C 3.53Å; K161-M204 WeakPolarHBondContact O-CA 3.22Å; V162-M204 HydrophobicContact CG1-CG 4.1Å; V162-M204 HydrophobicContact CG2-CG 4.29Å; M204-E220 CarbonylContact O-C 3.42Å; M204-E220 VanDerWaalsContact O-CA 3.25Å; M204-E220 WeakPolarHBondContact O-CA 3.25Å; M204-V221 HydrophobicContact CB-CB 4.46Å; M204-V221 HydrophobicContact CE-CB 4.05Å; M204-V221 HydrophobicContact CE-CG1 3.81Å; M204-V221 PolarHBondContact N-O 2.61Å; M204-V221 PolarHBondContact O-N 2.7Å; M204-L223 HydrophobicContact CE-CD1 4.02Å
205S92.8Very high84.6Confident5 Ų561.6 Ų61.64%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-115.5123.1177-51.20000109.6V160 K161 H203V160-S205 WeakPolarHBondContact CA-O 3.26Å; K161-S205 PolarHBondContact N-O 2.85Å; K161-S205 PolarHBondContact O-N 3.2Å; H203-S205 PolarHBondContact CE1-OG 2.93Å; H203-S205 VanDerWaalsContact CE1-OG 3.24Å
206V94.5Very high84.1Confident0 Ų058.3 Ų58.30%028%0.278CS..EExtended strand (participates in β ladder)trans-95.6127.4178.8-170.20000108.6I124 L147 V160 I218 G219 I242I124-V206 HydrophobicContact CD1-CG2 4.26Å; L147-V206 HydrophobicContact CD1-CG1 4.29Å; L147-V206 HydrophobicContact CD2-CG1 4.33Å; V160-V206 HydrophobicContact CG2-CG2 4.27Å; V206-I218 HydrophobicContact CB-CB 4.26Å; V206-I218 HydrophobicContact CG1-CB 4.17Å; V206-I218 HydrophobicContact CG1-CD1 4.14Å; V206-I218 HydrophobicContact CG1-CG2 4.38Å; V206-I218 WeakPolarHBondContact O-CB 3.34Å; V206-I218 PolarHBondContact O-N 3.04Å; V206-G219 PolarHBondContact N-O 2.98Å; V206-G219 PolarHBondContact O-N 3.06Å; V206-I242 HydrophobicContact CG2-CD1 3.99Å; V206-I242 HydrophobicContact CG2-CG1 4.37Å
207F92.1Very high83.8Confident13 Ų1356.2 Ų56.26%0.05727%0.269CS..EExtended strand (participates in β ladder)trans-125.6153.9-178.7-74.3-89.4000110.8P158 Y159 K161 H215 D216 M217P158-F207 CarbonylContact C-O 3.56Å; P158-F207 VanDerWaalsContact CA-O 3.22Å; P158-F207 WeakPolarHBondContact CA-O 3.41Å; Y159-F207 HydrophobicContact CD1-CB 3.89Å; Y159-F207 HydrophobicContact CE1-CB 3.25Å; Y159-F207 HydrophobicContact CE1-CG 4.22Å; Y159-F207 HydrophobicContact CE2-CB 4.17Å; Y159-F207 HydrophobicContact CE2-CD2 4.38Å; Y159-F207 AromaticContact CZ-CG 3.88Å; Y159-F207 PolarHBondContact N-O 3.4Å; Y159-F207 PolarHBondContact O-N 3.29Å; Y159-F207 WeakPolarHBondContact OH-CB 3.45Å; Y159-F207 WeakPolarHBondContact OH-CG 3.45Å; K161-F207 HydrophobicContact CD-CD2 4.13Å; K161-F207 HydrophobicContact CD-CE2 3.74Å; K161-F207 HydrophobicContact CG-CD2 4.25Å; K161-F207 HydrophobicContact CG-CE2 4.23Å; F207-H215 HydrophobicContact CD1-CB 4.29Å; F207-D216 CarbonylContact C-O 3.55Å; F207-D216 WeakPolarHBondContact CA-O 3.19Å; F207-M217 HydrophobicContact CD1-CB 4.04Å; F207-M217 HydrophobicContact CE1-CB 3.84Å; F207-M217 HydrophobicContact CE1-CE 3.61Å; F207-M217 HydrophobicContact CE1-CG 4.26Å; F207-M217 HydrophobicContact CE2-CE 3.95Å; F207-M217 HydrophobicContact CZ-CE 3.19Å
208D91.2Very high83.9Confident1 Ų156.2 Ų56.21%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-94.7127.7164.7-178.536.5000110K150 S156 D157 H215 D216 I218K150-D208 HydrophobicContact CB-CB 3.92Å; K150-D208 WeakPolarHBondContact CB-OD2 3.36Å; K150-D208 HydrophobicContact CG-CB 4.08Å; S156-D208 WeakPolarHBondContact CA-OD1 3.47Å; S156-D208 WeakPolarHBondContact CB-OD1 3.24Å; D157-D208 WeakPolarHBondContact CA-OD1 3.31Å; D157-D208 PolarHBondContact N-OD1 2.86Å; D208-H215 CarbonylContact O-C 3.59Å; D208-H215 WeakPolarHBondContact O-CA 3.49Å; D208-H215 WeakPolarHBondContact O-CB 3.44Å; D208-D216 HydrophobicContact CB-CB 4.11Å; D208-D216 PolarHBondContact N-O 2.88Å; D208-D216 PolarHBondContact O-N 2.91Å; D208-D216 VanDerWaalsContact O-N 3.16Å; D208-I218 HydrophobicContact CB-CD1 4.19Å; D208-I218 HydrophobicContact CB-CG1 4.32Å
209F87.9Confident84Confident59 Ų5952.7 Ų52.726%0.25925%0.246SC..  trans-83.7130.5-179.4175-87.9000111.2D157 Y159 V175 R211 H215D157-F209 HydrophobicContact CB-CB 3.93Å; D157-F209 WeakPolarHBondContact CB-O 3.44Å; D157-F209 VanDerWaalsContact O-CB 3.29Å; D157-F209 WeakPolarHBondContact O-CB 3.4Å; D157-F209 PolarHBondContact O-N 2.91Å; Y159-F209 HydrophobicContact CD1-CB 3.98Å; Y159-F209 HydrophobicContact CE1-CB 4.16Å; V175-F209 HydrophobicContact CB-CB 4.4Å; V175-F209 HydrophobicContact CG1-CB 3.48Å; V175-F209 VanDerWaalsContact CG1-CB 3.48Å; V175-F209 HydrophobicContact CG1-CD1 4.15Å; V175-F209 HydrophobicContact CG1-CG 3.81Å; V175-F209 HydrophobicContact CG2-CB 3.96Å; V175-F209 HydrophobicContact CG2-CD2 3.88Å; V175-F209 HydrophobicContact CG2-CG 3.97Å; F209-R211 HydrophobicContact CE1-CB 4.39Å; F209-H215 AromaticContact CD2-CE1 3.25Å; F209-H215 WeakPolarHBondContact CD2-CE1 3.22Å; F209-H215 AromaticContact CD2-ND1 3.98Å; F209-H215 AromaticContact CD2-NE2 3.39Å; F209-H215 WeakPolarHBondContact CD2-NE2 3.38Å; F209-H215 AromaticContact CE2-CE1 3.54Å; F209-H215 AromaticContact CE2-NE2 3.45Å; F209-H215 WeakPolarHBondContact CE2-NE2 3.43Å
210D77.6Confident84.3Confident35 Ų3550 Ų5019%0.18723%0.226CC..  trans-124.8130.9-179.4-108.9-32.5000110.6S213 H215D210-S213 VanDerWaalsContact CB-OG 3.31Å; D210-S213 WeakPolarHBondContact CB-OG 3.47Å; D210-S213 PolarHBondContact OD1-OG 3.38Å; D210-S213 PolarHBondContact OD2-OG 3.4Å; D210-H215 PolarHBondContact N-CD2 3.22Å; D210-H215 VanDerWaalsContact N-CD2 3.33Å; D210-H215 PolarHBondContact O-CD2 3.46Å; D210-H215 PolarHBondContact O-NE2 3.43Å
211R76.1Confident84.5Confident186 Ų18648.5 Ų48.570%0.70222%0.221SC*.SBendtrans-76.3-33.9-175.7-171.3175.1-166.6-172.86.5113.4F209F209-R211 HydrophobicContact CE1-CB 4.39Å
212F61.4Low84.5Confident188 Ų18847.9 Ų47.983%0.82522%0.224SC*.SBendtrans-124.64.5-169.5-56.2-64.6000112.9
213S59Low84.4Confident68 Ų6848.1 Ų48.148%0.47623%0.225SC..SBendtrans-137.6175.7179.834.60000109.5D210D210-S213 VanDerWaalsContact CB-OG 3.31Å; D210-S213 WeakPolarHBondContact CB-OG 3.47Å; D210-S213 PolarHBondContact OD1-OG 3.38Å; D210-S213 PolarHBondContact OD2-OG 3.4Å
214R61.5Low84Confident115 Ų11552.2 Ų52.243%0.43424%0.244SC..PPolyproline II helixtrans-72.1144.1173.8-65.1-178.8-175.4-168.9-5.8109.3D216 M281 E350R214-D216 PolarHBondContact O-N 2.88Å; R214-M281 PolarHBondContact NH2-SD 3.35Å; R214-E350 IonicContact CZ-OE2 3.46Å; R214-E350 IonicContact NH2-OE1 3.82Å; R214-E350 IonicContact NH2-OE2 2.64Å; R214-E350 PolarHBondContact NH2-OE2 3.37Å
215H80.1Confident83.4Confident68 Ų6855.3 Ų55.332%0.31526%0.261SS..PPolyproline II helixtrans-66.4124.9178.2-61-178.6000109.8Y159 F207 D208 F209 D210Y159-H215 HydrophobicContact CE1-CB 4.29Å; Y159-H215 AromaticContact CE1-ND1 3.43Å; Y159-H215 WeakPolarHBondContact CE1-ND1 3.39Å; Y159-H215 AromaticContact CZ-ND1 3.42Å; Y159-H215 PolarHBondContact OH-ND1 2.97Å; F207-H215 HydrophobicContact CD1-CB 4.29Å; D208-H215 CarbonylContact O-C 3.59Å; D208-H215 WeakPolarHBondContact O-CA 3.49Å; D208-H215 WeakPolarHBondContact O-CB 3.44Å; F209-H215 AromaticContact CD2-CE1 3.25Å; F209-H215 WeakPolarHBondContact CD2-CE1 3.22Å; F209-H215 AromaticContact CD2-ND1 3.98Å; F209-H215 AromaticContact CD2-NE2 3.39Å; F209-H215 WeakPolarHBondContact CD2-NE2 3.38Å; F209-H215 AromaticContact CE2-CE1 3.54Å; F209-H215 AromaticContact CE2-NE2 3.45Å; F209-H215 WeakPolarHBondContact CE2-NE2 3.43Å; D210-H215 PolarHBondContact N-CD2 3.22Å; D210-H215 VanDerWaalsContact N-CD2 3.33Å; D210-H215 PolarHBondContact O-CD2 3.46Å; D210-H215 PolarHBondContact O-NE2 3.43Å
216D80.1Confident82.8Confident73 Ų7355.1 Ų55.139%0.3926%0.259SS..EExtended strand (participates in β ladder)trans-77.3124.6-178.5-88.2-20.5000110.6K150 F207 D208 R214 I218K150-D216 HydrophobicContact CB-CB 4.37Å; K150-D216 HydrophobicContact CD-CB 4.3Å; K150-D216 HydrophobicContact CG-CB 4.28Å; F207-D216 CarbonylContact C-O 3.55Å; F207-D216 WeakPolarHBondContact CA-O 3.19Å; D208-D216 HydrophobicContact CB-CB 4.11Å; D208-D216 PolarHBondContact N-O 2.88Å; D208-D216 PolarHBondContact O-N 2.91Å; D208-D216 VanDerWaalsContact O-N 3.16Å; R214-D216 PolarHBondContact O-N 2.88Å; D216-I218 PolarHBondContact O-N 3.35Å
217M85.3Confident82Confident37 Ų3758.2 Ų58.218%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-68.6125.1171.3-174.1172.7-7500109.5F207 A245 E248F207-M217 HydrophobicContact CD1-CB 4.04Å; F207-M217 HydrophobicContact CE1-CB 3.84Å; F207-M217 HydrophobicContact CE1-CE 3.61Å; F207-M217 HydrophobicContact CE1-CG 4.26Å; F207-M217 HydrophobicContact CE2-CE 3.95Å; F207-M217 HydrophobicContact CZ-CE 3.19Å; M217-A245 HydrophobicContact CG-CB 4.39Å; M217-A245 HydrophobicContact SD-CB 3.51Å; M217-A245 VanDerWaalsContact SD-CB 3.51Å; M217-E248 HydrophobicContact CE-CG 3.62Å; M217-E248 WeakPolarHBondContact CE-OE1 3.46Å; M217-E248 HydrophobicContact SD-CG 3.79Å
218I90.3Very high81.1Confident1 Ų164.8 Ų64.81%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-82.1-48.1173.8-70.6172.2000109.2C121 L147 P148 K150 P158 V206 D208 D216C121-I218 HydrophobicContact CB-CG2 4.39Å; L147-I218 HydrophobicContact CD1-CD1 4.31Å; L147-I218 HydrophobicContact CD2-CG2 4.2Å; P148-I218 HydrophobicContact CG-CG1 4.45Å; P148-I218 HydrophobicContact CG-CG2 3.66Å; K150-I218 HydrophobicContact CG-CG1 4.12Å; P158-I218 HydrophobicContact CB-CD1 4.48Å; V206-I218 HydrophobicContact CB-CB 4.26Å; V206-I218 HydrophobicContact CG1-CB 4.17Å; V206-I218 HydrophobicContact CG1-CD1 4.14Å; V206-I218 HydrophobicContact CG1-CG2 4.38Å; V206-I218 WeakPolarHBondContact O-CB 3.34Å; V206-I218 PolarHBondContact O-N 3.04Å; D208-I218 HydrophobicContact CB-CD1 4.19Å; D208-I218 HydrophobicContact CB-CG1 4.32Å; D216-I218 PolarHBondContact O-N 3.35Å
219G91.1Very high79.8Confident0 Ų068 Ų680%032%0.319CS..EExtended strand (participates in β ladder)trans169.5-169.2175.900000112.3V206 Q243V206-G219 PolarHBondContact N-O 2.98Å; V206-G219 PolarHBondContact O-N 3.06Å; G219-Q243 CarbonylContact C-O 3.57Å; G219-Q243 WeakPolarHBondContact CA-O 3.48Å
220E92.2Very high79Confident56 Ų5665.5 Ų65.526%0.26231%0.31SS..EExtended strand (participates in β ladder)trans-140.1160.3-175.268.7-175.4173.700113.7H203 M204 Q243 A245H203-E220 IonicContact CD2-OE2 3.08Å; H203-E220 IonicContact CE1-OE2 2.69Å; H203-E220 IonicContact NE2-OE2 3.6Å; H203-E220 PolarHBondContact NE2-OE2 2.94Å; M204-E220 CarbonylContact O-C 3.42Å; M204-E220 VanDerWaalsContact O-CA 3.25Å; M204-E220 WeakPolarHBondContact O-CA 3.25Å; E220-Q243 PolarHBondContact N-O 2.79Å; E220-Q243 PolarHBondContact O-N 3.37Å; E220-A245 HydrophobicContact CG-CB 4.22Å
221V92.3Very high78.9Confident7 Ų768.5 Ų68.54%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-134.1122172.5177.90000107.8I124 M204 R240 I242I124-V221 HydrophobicContact CG2-CB 4.46Å; I124-V221 HydrophobicContact CG2-CG2 3.69Å; M204-V221 HydrophobicContact CB-CB 4.46Å; M204-V221 HydrophobicContact CE-CB 4.05Å; M204-V221 HydrophobicContact CE-CG1 3.81Å; M204-V221 PolarHBondContact N-O 2.61Å; M204-V221 PolarHBondContact O-N 2.7Å; V221-R240 HydrophobicContact CG1-CB 3.66Å; V221-R240 HydrophobicContact CG1-CG 3.92Å; V221-R240 HydrophobicContact CG2-CB 4.22Å; V221-I242 HydrophobicContact CG2-CG1 4.18Å
222V90.9Very high79.2Confident65 Ų6559.8 Ų59.839%0.39429%0.293SS..EExtended strand (participates in β ladder)trans-112.8131.4176.1-176.90000108.7H203 E224H203-V222 VanDerWaalsContact CD2-CG2 3.45Å; H203-V222 WeakPolarHBondContact CD2-CG2 3.31Å; V222-E224 HydrophobicContact CG1-CG 4.11Å
223L89.4Confident80Confident4 Ų453.7 Ų53.72%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-117.3109.8172.5-62.7156.2000108.1F126 L128 K201 L202 M204 L226 M229 R240F126-L223 HydrophobicContact CE2-CD1 3.5Å; F126-L223 HydrophobicContact CZ-CD1 3.51Å; F126-L223 HydrophobicContact CZ-CD2 4.44Å; F126-L223 HydrophobicContact CZ-CG 4.47Å; L128-L223 HydrophobicContact CD1-CD1 4.46Å; K201-L223 CarbonylContact C-O 3.52Å; K201-L223 VanDerWaalsContact CA-O 3.26Å; K201-L223 WeakPolarHBondContact CA-O 3.2Å; L202-L223 HydrophobicContact CB-CB 4.26Å; L202-L223 HydrophobicContact CB-CD1 4.28Å; L202-L223 HydrophobicContact CD2-CD1 3.89Å; L202-L223 HydrophobicContact CG-CD1 4.31Å; L202-L223 PolarHBondContact N-O 3.04Å; L202-L223 PolarHBondContact O-N 2.86Å; M204-L223 HydrophobicContact CE-CD1 4.02Å; L223-L226 HydrophobicContact CB-CD2 4.08Å; L223-M229 HydrophobicContact CD2-CB 4.48Å; L223-M229 HydrophobicContact CD2-CE 3.77Å; L223-M229 HydrophobicContact CD2-CG 4.14Å; L223-R240 HydrophobicContact CD2-CG 4.46Å
224E83.4Confident81.2Confident116 Ų11659.1 Ų59.154%0.54228%0.284SS..SBendtrans-86.1-34.6-177.7-52.1-157.6141.800113K201 V222K201-E224 HydrophobicContact CD-CB 4.28Å; K201-E224 HydrophobicContact CD-CG 3.97Å; K201-E224 HydrophobicContact CG-CB 4.38Å; K201-E224 IonicContact NZ-OE1 3.66Å; K201-E224 PolarHBondContact NZ-OE1 3Å; K201-E224 IonicContact NZ-OE2 2.72Å; V222-E224 HydrophobicContact CG1-CG 4.11Å
225N81.3Confident82.2Confident65 Ų6559.2 Ų59.235%0.34829%0.289SS..  trans-11995.6-179.4-171-1.2000110.1F227 E228 M229N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 PolarHBondContact OD1-N 3.33Å; N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 WeakPolarHBondContact ND2-CB 3.19Å; N225-E228 PolarHBondContact ND2-OE2 3.03Å; N225-E228 PolarHBondContact O-N 3.19Å; N225-M229 WeakPolarHBondContact O-CG 3.08Å
226L81.2Confident82.3Confident0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-65-28.3-175.7-61.6176.1000112.8L128 L137 L164 L197 L202 L223 S230 L232L128-L226 HydrophobicContact CD1-CD2 4.21Å; L137-L226 HydrophobicContact CD2-CD1 3.84Å; L164-L226 HydrophobicContact CD1-CD1 4.33Å; L197-L226 HydrophobicContact CD2-CD1 4.04Å; L202-L226 HydrophobicContact CB-CD2 3.71Å; L223-L226 HydrophobicContact CB-CD2 4.08Å; L226-S230 PolarHBondContact O-N 3.42Å; L226-L232 HydrophobicContact CB-CD1 4.47Å
227F77.6Confident82.7Confident66 Ų6658.8 Ų58.829%0.28929%0.29SS..Hα-helixtrans-78.6-31.8-178.1-67-80.8000113.8Y194 L197 P198 N225 M229 L232Y194-F227 HydrophobicContact CE1-CE1 4.26Å; Y194-F227 HydrophobicContact CE1-CZ 4.31Å; Y194-F227 AromaticContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CZ 4.17Å; Y194-F227 AromaticContact CZ-CE1 3.59Å; Y194-F227 AromaticContact CZ-CZ 4Å; Y194-F227 WeakPolarHBondContact OH-CE1 3.03Å; L197-F227 HydrophobicContact CB-CE2 3.53Å; L197-F227 HydrophobicContact CB-CZ 3.68Å; L197-F227 HydrophobicContact CD1-CZ 3.91Å; L197-F227 HydrophobicContact CG-CZ 4.48Å; P198-F227 HydrophobicContact CB-CE2 4.33Å; P198-F227 HydrophobicContact CG-CD2 4.28Å; P198-F227 HydrophobicContact CG-CE2 3.63Å; P198-F227 HydrophobicContact CG-CZ 4.44Å; N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 PolarHBondContact OD1-N 3.33Å; F227-M229 PolarHBondContact O-N 2.86Å; F227-L232 HydrophobicContact CD1-CD1 3.93Å; F227-L232 HydrophobicContact CE1-CD1 3.67Å; F227-L232 HydrophobicContact CZ-CD1 4.04Å
228E72.3Confident83.1Confident151 Ų15157.6 Ų57.671%0.70629%0.285SS*.Hα-helixtrans-69.9-27.2177.7-178173.6-175.400111.7N225N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 WeakPolarHBondContact ND2-CB 3.19Å; N225-E228 PolarHBondContact ND2-OE2 3.03Å; N225-E228 PolarHBondContact O-N 3.19Å
229M65.3Low83.2Confident67 Ų6761.8 Ų61.833%0.3330%0.3SS..Hα-helixtrans-99.2-15.4-171.2-61.1-66.7-120.700113.2L223 N225 F227 R240L223-M229 HydrophobicContact CD2-CB 4.48Å; L223-M229 HydrophobicContact CD2-CE 3.77Å; L223-M229 HydrophobicContact CD2-CG 4.14Å; N225-M229 WeakPolarHBondContact O-CG 3.08Å; F227-M229 PolarHBondContact O-N 2.86Å; M229-R240 VanDerWaalsContact CE-NE 3.34Å; M229-R240 PolarHBondContact SD-NH2 3.38Å
230S69.9Low83.3Confident8 Ų865.9 Ų65.96%0.05632%0.316CS..  trans-154.6134.9-175.1-62.50000111.5L226 L232 T236 I238L226-S230 PolarHBondContact O-N 3.42Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.36Å; S230-T236 VanDerWaalsContact CB-OG1 3.24Å; S230-T236 WeakPolarHBondContact CB-OG1 3.16Å; S230-T236 PolarHBondContact OG-OG1 2.95Å; S230-T236 VanDerWaalsContact OG-OG1 3.13Å; S230-I238 WeakPolarHBondContact OG-CD1 3.42Å
231D76.2Confident83.4Confident98 Ų9868.4 Ų68.452%0.52433%0.331SS..  trans-74.489.5159.7179.93.7000108S233 R234 T236D231-S233 PolarHBondContact O-N 3.36Å; D231-S233 VanDerWaalsContact OD1-CB 3.3Å; D231-S233 WeakPolarHBondContact OD1-CB 3.08Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.35Å; D231-R234 PolarHBondContact O-N 2.81Å; D231-T236 HydrophobicContact CB-CG2 4.35Å
232L81.8Confident83.5Confident3 Ų368.4 Ų68.42%0.01633%0.331CS..THydrogen-bonded Turntrans-58.1-11.6-175.9-63.5179.6000113.8L128 Y130 L137 L197 L226 F227 S230 R234L128-L232 HydrophobicContact CB-CD2 4.02Å; Y130-L232 PolarHBondContact N-O 3.14Å; L137-L232 HydrophobicContact CD1-CD2 4.1Å; L197-L232 HydrophobicContact CD1-CD1 3.81Å; L226-L232 HydrophobicContact CB-CD1 4.47Å; F227-L232 HydrophobicContact CD1-CD1 3.93Å; F227-L232 HydrophobicContact CE1-CD1 3.67Å; F227-L232 HydrophobicContact CZ-CD1 4.04Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.36Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 2.86Å
233S79.1Confident83.4Confident60 Ų6071.9 Ų71.942%0.4234%0.343SS..THydrogen-bonded Turntrans-68.8-24.1173.2750000113.1D231D231-S233 PolarHBondContact O-N 3.36Å; D231-S233 VanDerWaalsContact OD1-CB 3.3Å; D231-S233 WeakPolarHBondContact OD1-CB 3.08Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.35Å
234R83Confident82.9Confident182 Ų18275.7 Ų75.769%0.68736%0.358SS*.SBendtrans-128.8155.5-179.8-61.5-179.5731782.2109.8D231 L232 T236D231-R234 PolarHBondContact O-N 2.81Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 2.86Å; R234-T236 PolarHBondContact O-N 2.89Å; R234-T236 VanDerWaalsContact O-N 3.09Å
235E83.9Confident81.9Confident117 Ų11771 Ų7155%0.54734%0.338SS..  trans-70.4109.8172.7-172.1175.3-174.100109.3S127 K129 N140S127-E235 PolarHBondContact OG-OE1 2.92Å; K129-E235 HydrophobicContact CB-CB 4.49Å; N140-E235 PolarHBondContact ND2-OE1 2.78Å
236T81.9Confident80.6Confident36 Ų3673.1 Ų73.122%0.22135%0.354CS..EExtended strand (participates in β ladder)trans-105.3129.1178.354.70000110.7S127 L128 S230 D231 R234S127-T236 WeakPolarHBondContact CA-O 3.37Å; S127-T236 WeakPolarHBondContact CB-O 3.45Å; L128-T236 PolarHBondContact N-O 3.27Å; L128-T236 PolarHBondContact O-N 3.09Å; S230-T236 VanDerWaalsContact CB-OG1 3.24Å; S230-T236 WeakPolarHBondContact CB-OG1 3.16Å; S230-T236 PolarHBondContact OG-OG1 2.95Å; S230-T236 VanDerWaalsContact OG-OG1 3.13Å; D231-T236 HydrophobicContact CB-CG2 4.35Å; R234-T236 PolarHBondContact O-N 2.89Å; R234-T236 VanDerWaalsContact O-N 3.09Å
237N89.3Confident79Confident95 Ų9575.6 Ų75.651%0.50837%0.371SS..EExtended strand (participates in β ladder)trans-83.8125.8176.7-168.7-68.7000110.4N125 L142N125-N237 VanDerWaalsContact CG-OD1 3.24Å; N125-N237 PolarHBondContact ND2-ND2 2.95Å; N125-N237 PolarHBondContact ND2-OD1 2.87Å; N125-N237 VanDerWaalsContact OD1-CG 3.3Å; N125-N237 PolarHBondContact OD1-ND2 2.76Å; N125-N237 PolarHBondContact OD1-OD1 2.89Å; L142-N237 WeakPolarHBondContact CD1-ND2 3.33Å
238I91.8Very high77.6Confident12 Ų1275.8 Ų75.86%0.06237%0.373CS..EExtended strand (participates in β ladder)trans-127.5130.5-172.6-47.8168.8000109.6N125 F126 L128 S230 R240N125-I238 WeakPolarHBondContact CA-O 3.45Å; N125-I238 PolarHBondContact OD1-O 2.9Å; F126-I238 HydrophobicContact CD2-CD1 4.37Å; F126-I238 HydrophobicContact CE1-CB 4.32Å; F126-I238 HydrophobicContact CE1-CG2 4.34Å; F126-I238 HydrophobicContact CE2-CB 4.09Å; F126-I238 HydrophobicContact CE2-CD1 3.67Å; F126-I238 HydrophobicContact CE2-CG1 4.45Å; F126-I238 HydrophobicContact CE2-CG2 4.42Å; F126-I238 HydrophobicContact CZ-CB 3.89Å; F126-I238 HydrophobicContact CZ-CD1 4.12Å; F126-I238 HydrophobicContact CZ-CG2 3.84Å; F126-I238 PolarHBondContact N-O 3.36Å; F126-I238 VanDerWaalsContact N-O 3.13Å; F126-I238 PolarHBondContact O-N 2.83Å; L128-I238 HydrophobicContact CD1-CD1 3.93Å; L128-I238 HydrophobicContact CG-CD1 4.07Å; S230-I238 WeakPolarHBondContact OG-CD1 3.42Å; I238-R240 HydrophobicContact CG2-CG 4.19Å
239W93.6Very high76.6Confident89 Ų8974.6 Ų74.634%0.33738%0.382SS..EExtended strand (participates in β ladder)trans-100.3134.9167.7-74.494.6000110.7R123 I124 N125 R143 V145R123-W239 HydrophobicContact CB-CE3 4.09Å; R123-W239 HydrophobicContact CB-CZ3 4.36Å; I124-W239 WeakPolarHBondContact O-CA 3.39Å; N125-W239 HydrophobicContact CB-CD2 3.79Å; N125-W239 HydrophobicContact CB-CE3 3.7Å; N125-W239 HydrophobicContact CB-CH2 3.68Å; N125-W239 HydrophobicContact CB-CZ2 3.75Å; N125-W239 HydrophobicContact CB-CZ3 3.64Å; N125-W239 WeakPolarHBondContact ND2-CZ2 3.41Å; N125-W239 PolarHBondContact ND2-NE1 2.96Å; N125-W239 VanDerWaalsContact ND2-NE1 3.14Å; R143-W239 HydrophobicContact CG-CH2 4.09Å; V145-W239 HydrophobicContact CG1-CH2 3.91Å; V145-W239 HydrophobicContact CG1-CZ3 4.16Å; V145-W239 HydrophobicContact CG2-CH2 4.24Å; V145-W239 HydrophobicContact CG2-CZ3 3.76Å
240R93.6Very high76.5Confident87 Ų8772.9 Ų72.933%0.32838%0.375SS..EExtended strand (participates in β ladder)trans-134.1139.5171.1-68-68.5160.6-143.4-0.3111.5R123 I124 F126 V221 L223 M229 I238R123-R240 CarbonylContact C-O 3.41Å; R123-R240 VanDerWaalsContact CA-O 3.27Å; R123-R240 WeakPolarHBondContact CA-O 3.25Å; R123-R240 WeakPolarHBondContact CB-O 3.11Å; I124-R240 HydrophobicContact CG2-CB 4.41Å; I124-R240 PolarHBondContact N-O 3.46Å; I124-R240 PolarHBondContact O-N 2.93Å; F126-R240 HydrophobicContact CE1-CB 4.14Å; F126-R240 HydrophobicContact CE1-CG 3.79Å; F126-R240 HydrophobicContact CZ-CG 3.93Å; V221-R240 HydrophobicContact CG1-CB 3.66Å; V221-R240 HydrophobicContact CG1-CG 3.92Å; V221-R240 HydrophobicContact CG2-CB 4.22Å; L223-R240 HydrophobicContact CD2-CG 4.46Å; M229-R240 VanDerWaalsContact CE-NE 3.34Å; M229-R240 PolarHBondContact SD-NH2 3.38Å; I238-R240 HydrophobicContact CG2-CG 4.19Å
241D93.6Very high76.7Confident109 Ų10977.1 Ų77.158%0.58340%0.397SS*.EExtended strand (participates in β ladder)trans-68.5133.8169.5-57.1-37.4000109R123 Q243R123-D241 WeakPolarHBondContact CD-OD1 3.12Å; R123-D241 WeakPolarHBondContact CG-OD1 3.29Å; D241-Q243 PolarHBondContact O-N 2.98Å
242I93.8Very high77.3Confident7 Ų772.9 Ų72.94%0.03637%0.374CS..PPolyproline II helixtrans-77118.4175.6-63164.7000106.1C121 G122 I124 L147 V206 V221C121-I242 HydrophobicContact CB-CB 3.86Å; C121-I242 HydrophobicContact CB-CG2 3.65Å; C121-I242 WeakPolarHBondContact CB-O 3.05Å; C121-I242 WeakPolarHBondContact O-CD1 3.49Å; G122-I242 WeakPolarHBondContact O-CB 3.13Å; G122-I242 PolarHBondContact O-N 2.86Å; I124-I242 HydrophobicContact CB-CD1 4.26Å; I124-I242 HydrophobicContact CB-CG1 4.2Å; I124-I242 HydrophobicContact CG2-CG1 4.21Å; L147-I242 HydrophobicContact CD2-CD1 3.34Å; V206-I242 HydrophobicContact CG2-CD1 3.99Å; V206-I242 HydrophobicContact CG2-CG1 4.37Å; V221-I242 HydrophobicContact CG2-CG1 4.18Å
243Q89.5Confident77.8Confident138 Ų13872.8 Ų72.865%0.64537%0.374SS*.BIsolated β-bridgetrans-77135.3176.5-63.8-170.87.100108.8G219 E220 D241 A245G219-Q243 CarbonylContact C-O 3.57Å; G219-Q243 WeakPolarHBondContact CA-O 3.48Å; E220-Q243 PolarHBondContact N-O 2.79Å; E220-Q243 PolarHBondContact O-N 3.37Å; D241-Q243 PolarHBondContact O-N 2.98Å; Q243-A245 PolarHBondContact O-N 3.35Å
244Y78.7Confident78.4Confident84 Ų8472.1 Ų72.133%0.32936%0.364SS..  trans-64.9105.6171.5-171.8-105.3000108K119 C121 T246K119-Y244 HydrophobicContact CB-CD2 3.96Å; K119-Y244 HydrophobicContact CB-CE2 4.39Å; K119-Y244 HydrophobicContact CB-CG 4.02Å; K119-Y244 HydrophobicContact CD-CD1 4.02Å; K119-Y244 HydrophobicContact CD-CD2 3.99Å; K119-Y244 HydrophobicContact CD-CE1 3.68Å; K119-Y244 HydrophobicContact CD-CE2 3.65Å; K119-Y244 HydrophobicContact CD-CG 4.16Å; K119-Y244 VanDerWaalsContact CD-CZ 3.48Å; K119-Y244 PolarHBondContact NZ-OH 2.85Å; C121-Y244 WeakPolarHBondContact SG-CA 3.13Å; C121-Y244 WeakPolarHBondContact SG-CB 3.42Å; C121-Y244 WeakPolarHBondContact SG-CD2 3.3Å; Y244-T246 HydrophobicContact CD1-CG2 3.87Å; Y244-T246 HydrophobicContact CE1-CG2 4.2Å; Y244-T246 PolarHBondContact O-N 3.3Å
245A63.4Low79.1Confident16 Ų1663.5 Ų63.513%0.13233%0.331CS..  trans-63.8102.5171.200000107.4M217 E220 Q243 S247M217-A245 HydrophobicContact CG-CB 4.39Å; M217-A245 HydrophobicContact SD-CB 3.51Å; M217-A245 VanDerWaalsContact SD-CB 3.51Å; E220-A245 HydrophobicContact CG-CB 4.22Å; Q243-A245 PolarHBondContact O-N 3.35Å; A245-S247 PolarHBondContact O-N 3.25Å
246T53.2Low79.8Confident110 Ų11059.7 Ų59.768%0.67531%0.314SS*.SBendtrans-70.372.2179260000110.3Y244 K391Y244-T246 HydrophobicContact CD1-CG2 3.87Å; Y244-T246 HydrophobicContact CE1-CG2 4.2Å; Y244-T246 PolarHBondContact O-N 3.3Å; T246-K391 PolarHBondContact O-NZ 3.48Å
247S47.3Very low80.6Confident53 Ų5358 Ų5837%0.37130%0.304SS..SBendtrans53.3109.5-166-69.30000110.2A245 S249 E388 K391A245-S247 PolarHBondContact O-N 3.25Å; S247-S249 PolarHBondContact O-N 3.03Å; S247-E388 WeakPolarHBondContact CB-OE2 3.31Å; S247-E388 PolarHBondContact OG-OE2 3.2Å; S247-K391 PolarHBondContact O-NZ 3.44Å
248E48.7Very low81Confident70 Ų7054 Ų5433%0.32728%0.283SS..  trans-13.6124.6154.3-63178.2127.600111.8M217 V250M217-E248 HydrophobicContact CE-CG 3.62Å; M217-E248 WeakPolarHBondContact CE-OE1 3.46Å; M217-E248 HydrophobicContact SD-CG 3.79Å; E248-V250 HydrophobicContact CB-CB 4.12Å; E248-V250 HydrophobicContact CB-CG2 3.14Å; E248-V250 VanDerWaalsContact CD-CG2 3.5Å; E248-V250 HydrophobicContact CG-CG2 3.88Å; E248-V250 PolarHBondContact O-N 2.99Å; E248-V250 WeakPolarHBondContact OE2-CG2 3.13Å
249S51.6Low81.3Confident126 Ų12653.4 Ų53.488%0.88128%0.28SS*.  trans-63.567.8140.956.30000106.4S247 D251S247-S249 PolarHBondContact O-N 3.03Å; S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 VanDerWaalsContact O-N 3.09Å
250V62.9Low81.5Confident30 Ų3050.4 Ų50.418%0.18227%0.272CS..  trans-60.5121168.2-162.60000103E248 L252 K279E248-V250 HydrophobicContact CB-CB 4.12Å; E248-V250 HydrophobicContact CB-CG2 3.14Å; E248-V250 VanDerWaalsContact CD-CG2 3.5Å; E248-V250 HydrophobicContact CG-CG2 3.88Å; E248-V250 PolarHBondContact O-N 2.99Å; E248-V250 WeakPolarHBondContact OE2-CG2 3.13Å; V250-L252 HydrophobicContact CB-CD2 3.64Å; V250-L252 HydrophobicContact CB-CG 4.02Å; V250-L252 HydrophobicContact CG1-CD2 3.65Å; V250-L252 HydrophobicContact CG1-CG 4.41Å; V250-L252 HydrophobicContact CG2-CD2 4.31Å; V250-L252 PolarHBondContact O-N 2.92Å; V250-K279 HydrophobicContact CG1-CD 3.96Å
251D74.8Confident81.7Confident98 Ų9846.7 Ų46.752%0.52426%0.259SS..  trans-65.393162.7-172.44.3000106.4S249 G253S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 VanDerWaalsContact O-N 3.09Å; D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.79Å
252L88.8Confident81.9Confident8 Ų844.3 Ų44.34%0.04225%0.246CC..  trans-76.1-4.2174.3-61.5178.6000110.8V250 K279 I352 L386 E388V250-L252 HydrophobicContact CB-CD2 3.64Å; V250-L252 HydrophobicContact CB-CG 4.02Å; V250-L252 HydrophobicContact CG1-CD2 3.65Å; V250-L252 HydrophobicContact CG1-CG 4.41Å; V250-L252 HydrophobicContact CG2-CD2 4.31Å; V250-L252 PolarHBondContact O-N 2.92Å; L252-K279 HydrophobicContact CD2-CB 4.35Å; L252-K279 HydrophobicContact CD2-CD 3.73Å; L252-K279 PolarHBondContact O-N 3.37Å; L252-I352 WeakPolarHBondContact CD2-O 2.88Å; L252-L386 HydrophobicContact CB-CB 3.76Å; L252-L386 WeakPolarHBondContact O-CD1 3.4Å; L252-E388 HydrophobicContact CD1-CG 4.04Å
253G90.8Very high81.9Confident1 Ų146.2 Ų46.21%0.0126%0.258CS..  trans92.6-179.5-171.700000112.7D251 R276 N277 L386D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.79Å; G253-R276 VanDerWaalsContact CA-O 3.25Å; G253-R276 WeakPolarHBondContact CA-O 2.95Å; G253-N277 WeakPolarHBondContact CA-O 3.35Å; G253-N277 PolarHBondContact N-O 3.47Å; G253-L386 VanDerWaalsContact O-CB 3.26Å; G253-L386 WeakPolarHBondContact O-CB 3.24Å; G253-L386 WeakPolarHBondContact O-CG 3.3Å; G253-L386 PolarHBondContact O-N 3.33Å
254E92.6Very high82.1Confident47 Ų4746.3 Ų46.322%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-124.9148.3-179.8-60.4174.5106.700109.9C275 R276 W383 H384E254-C275 CarbonylContact O-C 3.51Å; E254-C275 WeakPolarHBondContact O-CA 3.35Å; E254-C275 WeakPolarHBondContact O-CB 3.26Å; E254-R276 HydrophobicContact CB-CG 4.25Å; E254-R276 PolarHBondContact N-O 3.44Å; E254-R276 PolarHBondContact O-N 2.96Å; E254-R276 IonicContact OE1-NH2 3.57Å; E254-R276 IonicContact OE2-CZ 3.61Å; E254-R276 IonicContact OE2-NE 2.69Å; E254-R276 PolarHBondContact OE2-NE 3.46Å; E254-R276 IonicContact OE2-NH2 2.72Å; E254-R276 PolarHBondContact OE2-NH2 2.96Å; E254-W383 HydrophobicContact CB-CE3 3.76Å; E254-W383 HydrophobicContact CB-CZ3 4.13Å; E254-H384 WeakPolarHBondContact CA-O 3.5Å
255I97.8Very high82.9Confident0 Ų044.6 Ų44.60%027%0.272CS..EExtended strand (participates in β ladder)trans-115.2135.2174.5-176.1167.7000110F257 V272 V291 I338 V340 H384 L386I255-F257 HydrophobicContact CG1-CD1 4.32Å; I255-F257 HydrophobicContact CG2-CD1 4.28Å; I255-F257 HydrophobicContact CG2-CE1 4.41Å; I255-V272 HydrophobicContact CD1-CG1 4.3Å; I255-V291 HydrophobicContact CD1-CG1 3.94Å; I255-V291 HydrophobicContact CD1-CG2 3.97Å; I255-I338 HydrophobicContact CD1-CG2 3.88Å; I255-V340 HydrophobicContact CD1-CG2 4Å; I255-H384 HydrophobicContact CG2-CB 4.09Å; I255-H384 PolarHBondContact N-O 3.34Å; I255-H384 PolarHBondContact O-N 2.77Å; I255-L386 HydrophobicContact CB-CD2 4.27Å; I255-L386 HydrophobicContact CG2-CD2 3.75Å; I255-L386 HydrophobicContact CG2-CG 4.42Å
256M97.9Very high84.4Confident37 Ų3744.4 Ų44.418%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-105.7124.7169.7-178.1175.7-112.400109.3I273 K274 H382 W383M256-I273 HydrophobicContact CB-CB 4.42Å; M256-I273 HydrophobicContact CG-CB 4.11Å; M256-I273 HydrophobicContact CG-CD1 3.97Å; M256-I273 HydrophobicContact CG-CG2 4.47Å; M256-I273 WeakPolarHBondContact O-CB 3.18Å; M256-I273 PolarHBondContact O-N 2.72Å; M256-I273 HydrophobicContact SD-CB 4.49Å; M256-I273 HydrophobicContact SD-CD1 4.33Å; M256-I273 HydrophobicContact SD-CG2 4.2Å; M256-K274 HydrophobicContact CB-CG 4.2Å; M256-K274 PolarHBondContact N-O 2.75Å; M256-K274 PolarHBondContact O-N 2.8Å; M256-K274 HydrophobicContact SD-CG 4.49Å; M256-H382 WeakPolarHBondContact CA-O 3.32Å; M256-W383 HydrophobicContact CB-CD2 3.77Å; M256-W383 HydrophobicContact CB-CE3 3.62Å; M256-W383 HydrophobicContact CB-CH2 3.9Å; M256-W383 HydrophobicContact CB-CZ2 4.05Å; M256-W383 HydrophobicContact CB-CZ3 3.67Å; M256-W383 HydrophobicContact CE-CD2 4.21Å; M256-W383 HydrophobicContact CE-CG 4.12Å; M256-W383 HydrophobicContact CE-CZ2 4.3Å; M256-W383 HydrophobicContact CG-CD2 4.39Å; M256-W383 HydrophobicContact SD-CZ2 4.07Å
257F98.6Very high86.5Confident0 Ų044.5 Ų44.50%026%0.259CS..EExtended strand (participates in β ladder)trans-142.5156.7172.563.3-87000110.2I255 L259 L270 T271 I338 M355 V357 H368 H382 H384I255-F257 HydrophobicContact CG1-CD1 4.32Å; I255-F257 HydrophobicContact CG2-CD1 4.28Å; I255-F257 HydrophobicContact CG2-CE1 4.41Å; F257-L259 HydrophobicContact CD2-CD2 4.13Å; F257-L259 HydrophobicContact CD2-CG 4.07Å; F257-L259 HydrophobicContact CE2-CD1 4.08Å; F257-L259 HydrophobicContact CE2-CD2 4.09Å; F257-L259 HydrophobicContact CE2-CG 3.84Å; F257-L270 HydrophobicContact CB-CD2 4.3Å; F257-L270 HydrophobicContact CD2-CD1 4.04Å; F257-L270 HydrophobicContact CD2-CG 4.09Å; F257-L270 HydrophobicContact CE2-CD1 4.45Å; F257-T271 CarbonylContact C-O 3.58Å; F257-T271 WeakPolarHBondContact CA-O 3.12Å; F257-T271 VanDerWaalsContact CB-O 3.28Å; F257-T271 WeakPolarHBondContact CB-O 3.31Å; F257-I338 HydrophobicContact CD1-CD1 3.94Å; F257-I338 HydrophobicContact CD2-CD1 4.23Å; F257-I338 HydrophobicContact CE1-CD1 3.62Å; F257-I338 HydrophobicContact CE2-CD1 3.93Å; F257-I338 HydrophobicContact CG-CD1 4.24Å; F257-I338 HydrophobicContact CZ-CD1 3.64Å; F257-M355 HydrophobicContact CE1-CG 4.18Å; F257-V357 HydrophobicContact CE1-CG2 4.44Å; F257-V357 HydrophobicContact CE2-CG1 4.44Å; F257-V357 HydrophobicContact CE2-CG2 3.89Å; F257-V357 HydrophobicContact CZ-CG1 4.38Å; F257-V357 HydrophobicContact CZ-CG2 3.46Å; F257-V357 VanDerWaalsContact CZ-CG2 3.46Å; F257-H368 AromaticContact CD2-CE1 3.78Å; F257-H368 AromaticContact CE2-CE1 3.4Å; F257-H368 VanDerWaalsContact CE2-CE1 3.4Å; F257-H368 WeakPolarHBondContact CE2-CE1 3.4Å; F257-H368 AromaticContact CE2-ND1 3.43Å; F257-H368 WeakPolarHBondContact CE2-ND1 3.43Å; F257-H368 AromaticContact CZ-CE1 3.96Å; F257-H368 AromaticContact CZ-ND1 3.62Å; F257-H368 PolarHBondContact O-CE1 3.29Å; F257-H382 PolarHBondContact N-O 3.01Å; F257-H382 PolarHBondContact O-N 3.13Å; F257-H384 HydrophobicContact CE1-CB 4.02Å; F257-H384 AromaticContact CE1-CD2 3.25Å; F257-H384 WeakPolarHBondContact CE1-CD2 3.32Å; F257-H384 AromaticContact CE1-CG 3.66Å; F257-H384 AromaticContact CZ-CD2 3.5Å; F257-H384 VanDerWaalsContact CZ-CD2 3.5Å; F257-H384 WeakPolarHBondContact CZ-CD2 3.33Å; F257-H384 AromaticContact CZ-NE2 3.78Å
258S98.4Very high88.9Confident11 Ų1142 Ų428%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-109.9145172.373.30000112.4L270 T271 I380S258-L270 CarbonylContact O-C 3.52Å; S258-L270 VanDerWaalsContact O-CA 3.3Å; S258-L270 WeakPolarHBondContact O-CA 3.13Å; S258-T271 PolarHBondContact N-O 3.11Å; S258-T271 PolarHBondContact O-N 2.87Å; S258-T271 VanDerWaalsContact OG-CB 3.31Å; S258-T271 WeakPolarHBondContact OG-CB 3.43Å; S258-I380 CarbonylContact C-O 3.51Å; S258-I380 WeakPolarHBondContact CA-O 3.46Å; S258-I380 WeakPolarHBondContact CB-O 3.38Å
259L98.3Very high91.2Very high0 Ų040.3 Ų40.30%024%0.236CC..EExtended strand (participates in β ladder)trans-113.5136.4171.2-65.8-179.8000110.7F257 L270 L336 V357 W369 M372 P379 I380F257-L259 HydrophobicContact CD2-CD2 4.13Å; F257-L259 HydrophobicContact CD2-CG 4.07Å; F257-L259 HydrophobicContact CE2-CD1 4.08Å; F257-L259 HydrophobicContact CE2-CD2 4.09Å; F257-L259 HydrophobicContact CE2-CG 3.84Å; L259-L270 HydrophobicContact CD2-CB 3.9Å; L259-L270 HydrophobicContact CD2-CD1 3.89Å; L259-L270 HydrophobicContact CD2-CG 3.92Å; L259-L336 HydrophobicContact CD2-CD1 4.12Å; L259-V357 HydrophobicContact CD1-CG1 3.77Å; L259-W369 HydrophobicContact CD1-CE3 3.93Å; L259-W369 HydrophobicContact CD1-CZ3 4.42Å; L259-M372 HydrophobicContact CB-CB 4.07Å; L259-M372 HydrophobicContact CB-CG 3.84Å; L259-M372 HydrophobicContact CB-SD 3.61Å; L259-M372 HydrophobicContact CD1-SD 4.2Å; L259-M372 HydrophobicContact CG-SD 4.41Å; L259-P379 WeakPolarHBondContact O-CA 3.43Å; L259-I380 PolarHBondContact N-O 3.41Å; L259-I380 PolarHBondContact O-N 3.44Å
260C98.1Very high93.5Very high26 Ų2634.3 Ų34.318%0.17619%0.194CC..EExtended strand (participates in β ladder)trans-142.9120.3173.8-176.60000109.4T269 R377 P379C260-T269 PolarHBondContact N-O 2.7Å; C260-T269 PolarHBondContact O-N 2.53Å; C260-R377 VanDerWaalsContact SG-C 3.52Å; C260-P379 HydrophobicContact CB-CB 4.22Å
261Y97.6Very high95.2Very high10 Ų1034.5 Ų34.54%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-106.9134.7175.1-173.5-119.5000111.5P263 R267 L268 I326 P328 M331 L373 R377Y261-P263 HydrophobicContact CD1-CB 4.33Å; Y261-P263 HydrophobicContact CD1-CG 3.69Å; Y261-P263 VanDerWaalsContact CE1-CA 3.49Å; Y261-P263 HydrophobicContact CE1-CB 3.82Å; Y261-P263 HydrophobicContact CE1-CG 3.69Å; Y261-P263 WeakPolarHBondContact O-CD 3.34Å; Y261-R267 VanDerWaalsContact CD2-O 3.31Å; Y261-R267 WeakPolarHBondContact CD2-O 3.49Å; Y261-L268 HydrophobicContact CD2-CB 4Å; Y261-L268 HydrophobicContact CD2-CD1 4.39Å; Y261-I326 HydrophobicContact CE2-CB 4.48Å; Y261-I326 WeakPolarHBondContact CE2-O 3.19Å; Y261-I326 PolarHBondContact OH-O 3.08Å; Y261-P328 WeakPolarHBondContact OH-CA 3.28Å; Y261-M331 HydrophobicContact CD1-CE 3.24Å; Y261-M331 HydrophobicContact CD2-CE 3.33Å; Y261-M331 HydrophobicContact CE1-CE 3.32Å; Y261-M331 HydrophobicContact CE2-CE 3.43Å; Y261-M331 VanDerWaalsContact CE2-CE 3.43Å; Y261-M331 HydrophobicContact CG-CE 3.25Å; Y261-M331 VanDerWaalsContact CZ-CE 3.42Å; Y261-L373 HydrophobicContact CD1-CD2 4.46Å; Y261-R377 PolarHBondContact O-N 3.24Å
262L96.8Very high96.3Very high59 Ų5929.9 Ų29.931%0.30917%0.171SC..EExtended strand (participates in β ladder)trans-113.796.1172.8179.663.5000108.8T264 A265 G266 R267 R377L262-T264 PolarHBondContact O-N 2.92Å; L262-A265 HydrophobicContact CD2-CB 3.57Å; L262-A265 HydrophobicContact CG-CB 3.87Å; L262-A265 PolarHBondContact O-N 2.79Å; L262-G266 PolarHBondContact O-N 2.74Å; L262-G266 VanDerWaalsContact O-N 3.08Å; L262-R267 HydrophobicContact CB-CB 4.49Å; L262-R267 PolarHBondContact N-O 3.16Å; L262-R267 PolarHBondContact O-N 2.64Å; L262-R267 VanDerWaalsContact O-N 3.1Å; L262-R377 HydrophobicContact CD1-CG 3.61Å
263P94.6Very high96.8Very high47 Ų4731.1 Ų31.131%0.30518%0.177SC..G310 helixtrans-58.7-42.4-175.6-24.331.3000113.7Y261 A265 G266 P376Y261-P263 HydrophobicContact CD1-CB 4.33Å; Y261-P263 HydrophobicContact CD1-CG 3.69Å; Y261-P263 VanDerWaalsContact CE1-CA 3.49Å; Y261-P263 HydrophobicContact CE1-CB 3.82Å; Y261-P263 HydrophobicContact CE1-CG 3.69Å; Y261-P263 WeakPolarHBondContact O-CD 3.34Å; P263-A265 PolarHBondContact O-N 3.16Å; P263-G266 PolarHBondContact O-N 3.21Å; P263-P376 HydrophobicContact CG-CB 4.2Å
264T93.8Very high97.1Very high139 Ų13935 Ų3585%0.85319%0.194SC*.G310 helixtrans-60.2-31.2-177.9-45.70000113.2L262L262-T264 PolarHBondContact O-N 2.92Å
265A94.4Very high97.3Very high49 Ų4933 Ų3341%0.40518%0.184SC..G310 helixtrans-101.6-0.2178.700000112.8L262 P263 R267L262-A265 HydrophobicContact CD2-CB 3.57Å; L262-A265 HydrophobicContact CG-CB 3.87Å; L262-A265 PolarHBondContact O-N 2.79Å; P263-A265 PolarHBondContact O-N 3.16Å; A265-R267 VanDerWaalsContact C-N 3.25Å; A265-R267 HydrophobicContact CB-CB 4.17Å; A265-R267 PolarHBondContact O-N 2.83Å
266G95.9Very high97.1Very high11 Ų1137.6 Ų37.611%0.11320%0.202CC..THydrogen-bonded Turntrans51.743.9-17100000112.3L262 P263 D325 I326L262-G266 PolarHBondContact O-N 2.74Å; L262-G266 VanDerWaalsContact O-N 3.08Å; P263-G266 PolarHBondContact O-N 3.21Å; G266-D325 CarbonylContact O-C 3.52Å; G266-D325 VanDerWaalsContact O-CA 3.32Å; G266-D325 WeakPolarHBondContact O-CA 3.3Å; G266-I326 CarbonylContact C-O 3.52Å; G266-I326 WeakPolarHBondContact CA-O 3.44Å; G266-I326 CarbonylContact O-C 3.45Å; G266-I326 PolarHBondContact O-N 2.72Å; G266-I326 VanDerWaalsContact O-O 3.11Å
267R96.8Very high96.6Very high113 Ų11339.6 Ų39.643%0.42621%0.213SC..EExtended strand (participates in β ladder)trans-122.2119.6-170.6-172.5179-67.6166.23.8112Y261 L262 A265 I323Y261-R267 VanDerWaalsContact CD2-O 3.31Å; Y261-R267 WeakPolarHBondContact CD2-O 3.49Å; L262-R267 HydrophobicContact CB-CB 4.49Å; L262-R267 PolarHBondContact N-O 3.16Å; L262-R267 PolarHBondContact O-N 2.64Å; L262-R267 VanDerWaalsContact O-N 3.1Å; A265-R267 VanDerWaalsContact C-N 3.25Å; A265-R267 HydrophobicContact CB-CB 4.17Å; A265-R267 PolarHBondContact O-N 2.83Å; R267-I323 HydrophobicContact CG-CG2 3.5Å
268L97.6Very high96.3Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-102.2124.7171.2179.662000110.2Y261 I323 F324 I326 L336 W369 M372Y261-L268 HydrophobicContact CD2-CB 4Å; Y261-L268 HydrophobicContact CD2-CD1 4.39Å; L268-I323 CarbonylContact O-C 3.21Å; L268-I323 WeakPolarHBondContact O-CA 3.27Å; L268-F324 PolarHBondContact N-O 3.38Å; L268-F324 PolarHBondContact O-N 3.43Å; L268-I326 HydrophobicContact CB-CD1 3.69Å; L268-I326 HydrophobicContact CD2-CD1 3.44Å; L268-I326 VanDerWaalsContact CD2-CD1 3.44Å; L268-I326 HydrophobicContact CG-CD1 4.21Å; L268-L336 HydrophobicContact CD2-CD1 3.84Å; L268-L336 HydrophobicContact CD2-CG 4.36Å; L268-W369 HydrophobicContact CD2-CH2 3.65Å; L268-W369 HydrophobicContact CD2-CZ3 3.82Å; L268-M372 HydrophobicContact CD1-CE 4.19Å; L268-M372 HydrophobicContact CD1-SD 3.27Å; L268-M372 WeakPolarHBondContact CD1-SD 3.42Å
269T98.1Very high95.8Very high34 Ų3441.9 Ų41.921%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-110.6118.3173.8-540000109.2C260 A321 I323C260-T269 PolarHBondContact N-O 2.7Å; C260-T269 PolarHBondContact O-N 2.53Å; T269-A321 HydrophobicContact CG2-CB 4.1Å; T269-I323 HydrophobicContact CG2-CG1 4.21Å
270L98.4Very high95.2Very high0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-102.7117.2167.4-179.1157.1000108.5F257 S258 L259 V272 V293 I322 L336 I338F257-L270 HydrophobicContact CB-CD2 4.3Å; F257-L270 HydrophobicContact CD2-CD1 4.04Å; F257-L270 HydrophobicContact CD2-CG 4.09Å; F257-L270 HydrophobicContact CE2-CD1 4.45Å; S258-L270 CarbonylContact O-C 3.52Å; S258-L270 VanDerWaalsContact O-CA 3.3Å; S258-L270 WeakPolarHBondContact O-CA 3.13Å; L259-L270 HydrophobicContact CD2-CB 3.9Å; L259-L270 HydrophobicContact CD2-CD1 3.89Å; L259-L270 HydrophobicContact CD2-CG 3.92Å; L270-V272 HydrophobicContact CD2-CG2 3.46Å; L270-V272 VanDerWaalsContact CD2-CG2 3.46Å; L270-V293 HydrophobicContact CD1-CG1 4.12Å; L270-V293 HydrophobicContact CD1-CG2 4.46Å; L270-V293 HydrophobicContact CD2-CG2 4.17Å; L270-I322 PolarHBondContact N-O 3.33Å; L270-I322 PolarHBondContact O-N 3.45Å; L270-L336 HydrophobicContact CB-CD1 4.39Å; L270-L336 HydrophobicContact CD1-CD1 3.63Å; L270-I338 HydrophobicContact CD1-CD1 3.76Å; L270-I338 HydrophobicContact CD1-CG1 4.19Å
271T98.6Very high94.5Very high35 Ų3543.8 Ų43.822%0.21524%0.236CC..EExtended strand (participates in β ladder)trans-101.3113.5174.1-51.30000109.3F257 S258 I273 E320F257-T271 CarbonylContact C-O 3.58Å; F257-T271 WeakPolarHBondContact CA-O 3.12Å; F257-T271 VanDerWaalsContact CB-O 3.28Å; F257-T271 WeakPolarHBondContact CB-O 3.31Å; S258-T271 PolarHBondContact N-O 3.11Å; S258-T271 PolarHBondContact O-N 2.87Å; S258-T271 VanDerWaalsContact OG-CB 3.31Å; S258-T271 WeakPolarHBondContact OG-CB 3.43Å; T271-I273 HydrophobicContact CG2-CG1 4.4Å; T271-I273 PolarHBondContact O-N 3.27Å; T271-E320 CarbonylContact C-O 3.43Å; T271-E320 WeakPolarHBondContact CA-O 3.23Å
272V98.6Very high93.5Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-76.4114.3171.6-176.80000107.3I255 L270 V291 T307 Y318 N319 E320 I322I255-V272 HydrophobicContact CD1-CG1 4.3Å; L270-V272 HydrophobicContact CD2-CG2 3.46Å; L270-V272 VanDerWaalsContact CD2-CG2 3.46Å; V272-V291 HydrophobicContact CG1-CB 4.19Å; V272-V291 HydrophobicContact CG1-CG1 4.44Å; V272-V291 HydrophobicContact CG1-CG2 3.81Å; V272-V291 HydrophobicContact CG2-CB 4.36Å; V272-V291 HydrophobicContact CG2-CG1 4.12Å; V272-T307 HydrophobicContact CB-CG2 4.02Å; V272-T307 HydrophobicContact CG1-CG2 4.29Å; V272-T307 HydrophobicContact CG2-CG2 3.87Å; V272-Y318 HydrophobicContact CG1-CD2 3.59Å; V272-Y318 HydrophobicContact CG1-CE2 4.29Å; V272-Y318 HydrophobicContact CG1-CG 3.98Å; V272-Y318 WeakPolarHBondContact O-CB 3.15Å; V272-N319 CarbonylContact O-C 3.5Å; V272-N319 VanDerWaalsContact O-CA 3.25Å; V272-N319 WeakPolarHBondContact O-CA 3.21Å; V272-N319 PolarHBondContact O-N 3.17Å; V272-E320 PolarHBondContact N-O 3.29Å; V272-E320 PolarHBondContact O-N 3.42Å; V272-I322 HydrophobicContact CG2-CD1 4.2Å
273I98.5Very high92.3Very high35 Ų3551.1 Ų51.118%0.17927%0.274CS..EExtended strand (participates in β ladder)trans-90.7-65.2-173.9-60.5170.6000109M256 T271 Y318 N319 A381M256-I273 HydrophobicContact CB-CB 4.42Å; M256-I273 HydrophobicContact CG-CB 4.11Å; M256-I273 HydrophobicContact CG-CD1 3.97Å; M256-I273 HydrophobicContact CG-CG2 4.47Å; M256-I273 WeakPolarHBondContact O-CB 3.18Å; M256-I273 PolarHBondContact O-N 2.72Å; M256-I273 HydrophobicContact SD-CB 4.49Å; M256-I273 HydrophobicContact SD-CD1 4.33Å; M256-I273 HydrophobicContact SD-CG2 4.2Å; T271-I273 HydrophobicContact CG2-CG1 4.4Å; T271-I273 PolarHBondContact O-N 3.27Å; I273-Y318 PolarHBondContact O-N 2.91Å; I273-N319 PolarHBondContact O-N 3.08Å; I273-N319 VanDerWaalsContact O-N 3.11Å; I273-A381 HydrophobicContact CD1-CB 4.08Å
274K97.4Very high91.2Very high83 Ų8353 Ų5336%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-162163.9-177.860.8-174.7177.3178.60111.7M256 P316 T317 W383M256-K274 HydrophobicContact CB-CG 4.2Å; M256-K274 PolarHBondContact N-O 2.75Å; M256-K274 PolarHBondContact O-N 2.8Å; M256-K274 HydrophobicContact SD-CG 4.49Å; K274-P316 CarbonylContact C-O 3.37Å; K274-P316 WeakPolarHBondContact CA-O 3.47Å; K274-P316 VanDerWaalsContact CB-O 3.3Å; K274-P316 WeakPolarHBondContact CB-O 3.48Å; K274-T317 HydrophobicContact CB-CG2 4.41Å; K274-W383 HydrophobicContact CD-CH2 4.27Å; K274-W383 HydrophobicContact CD-CZ2 4.44Å; K274-W383 HydrophobicContact CG-CH2 3.86Å; K274-W383 HydrophobicContact CG-CZ2 4.35Å
275C97.9Very high90.4Very high3 Ų348.4 Ų48.42%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-117.6160.7165.6-53.50000110.1E254 L278 N315 P316E254-C275 CarbonylContact O-C 3.51Å; E254-C275 WeakPolarHBondContact O-CA 3.35Å; E254-C275 WeakPolarHBondContact O-CB 3.26Å; C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.74Å; C275-L278 HydrophobicContact CB-CG 3.83Å; C275-N315 CarbonylContact O-C 3.55Å; C275-N315 VanDerWaalsContact O-CA 3.31Å; C275-N315 WeakPolarHBondContact O-CA 3.47Å; C275-P316 HydrophobicContact CB-CG 3.8Å; C275-P316 PolarHBondContact N-O 3.42Å
276R91.8Very high90Very high97 Ų9751.2 Ų51.237%0.36627%0.265SS..EExtended strand (participates in β ladder)trans-138.7153.9170.868.6-177.1179.7-176.1-1.1111.6G253 E254 L278 N315 W383G253-R276 VanDerWaalsContact CA-O 3.25Å; G253-R276 WeakPolarHBondContact CA-O 2.95Å; E254-R276 HydrophobicContact CB-CG 4.25Å; E254-R276 PolarHBondContact N-O 3.44Å; E254-R276 PolarHBondContact O-N 2.96Å; E254-R276 IonicContact OE1-NH2 3.57Å; E254-R276 IonicContact OE2-CZ 3.61Å; E254-R276 IonicContact OE2-NE 2.69Å; E254-R276 PolarHBondContact OE2-NE 3.46Å; E254-R276 IonicContact OE2-NH2 2.72Å; E254-R276 PolarHBondContact OE2-NH2 2.96Å; R276-L278 PolarHBondContact O-N 2.95Å; R276-N315 WeakPolarHBondContact CA-OD1 3.46Å; R276-N315 WeakPolarHBondContact CB-OD1 3.31Å; R276-W383 HydrophobicContact CB-CH2 4.12Å; R276-W383 HydrophobicContact CB-CZ3 4.35Å; R276-W383 HydrophobicContact CG-CE3 4.46Å; R276-W383 HydrophobicContact CG-CH2 3.73Å; R276-W383 HydrophobicContact CG-CZ3 3.7Å
277N87.8Confident89.8Confident79 Ų7950.7 Ų50.742%0.42226%0.26SS..SBendtrans52.136.3177.3-58.2-12.6000113.6G253 L314 N315G253-N277 WeakPolarHBondContact CA-O 3.35Å; G253-N277 PolarHBondContact N-O 3.47Å; N277-L314 PolarHBondContact N-O 2.87Å; N277-N315 PolarHBondContact N-OD1 3.28Å
278L92.5Very high89.7Confident4 Ų446.6 Ų46.62%0.02125%0.246CC..PPolyproline II helixtrans-60.3145.8177.6-64.5-178.2000110.7C275 R276 A280 P289 L314 P316 V340 I352 L386C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.74Å; C275-L278 HydrophobicContact CB-CG 3.83Å; R276-L278 PolarHBondContact O-N 2.95Å; L278-A280 PolarHBondContact O-N 3.23Å; L278-P289 HydrophobicContact CD1-CB 3.6Å; L278-P289 HydrophobicContact CD1-CG 3.89Å; L278-L314 HydrophobicContact CB-CB 4.33Å; L278-L314 HydrophobicContact CB-CD2 4.41Å; L278-L314 WeakPolarHBondContact CB-O 3.45Å; L278-L314 WeakPolarHBondContact CG-O 3.23Å; L278-L314 PolarHBondContact N-O 3.32Å; L278-L314 WeakPolarHBondContact O-CD2 3.37Å; L278-P316 HydrophobicContact CD1-CG 3.76Å; L278-V340 HydrophobicContact CD1-CG1 4.01Å; L278-V340 HydrophobicContact CD2-CG1 4.1Å; L278-I352 HydrophobicContact CD1-CD1 4.48Å; L278-I352 HydrophobicContact CD2-CG2 4.47Å; L278-L386 HydrophobicContact CD2-CD1 3.52Å
279K87.4Confident89.7Confident56 Ų5646.6 Ų46.624%0.24325%0.246CC..PPolyproline II helixtrans-64127.6171.3177.8176-173.9162.50109.8V250 L252 M281 S287 I352V250-K279 HydrophobicContact CG1-CD 3.96Å; L252-K279 HydrophobicContact CD2-CB 4.35Å; L252-K279 HydrophobicContact CD2-CD 3.73Å; L252-K279 PolarHBondContact O-N 3.37Å; K279-M281 HydrophobicContact CD-SD 4.02Å; K279-M281 HydrophobicContact CG-SD 4.09Å; K279-M281 PolarHBondContact O-N 2.77Å; K279-S287 PolarHBondContact O-OG 2.91Å; K279-I352 HydrophobicContact CB-CG2 4.11Å
280A86.3Confident89.8Confident40 Ų4045.4 Ų45.433%0.33124%0.238SC..PPolyproline II helixtrans-68.2123.6169.200000110.1L278 G285 Y286 L314L278-A280 PolarHBondContact O-N 3.23Å; A280-G285 VanDerWaalsContact CB-C 3.42Å; A280-G285 VanDerWaalsContact CB-O 3.27Å; A280-G285 WeakPolarHBondContact CB-O 3.41Å; A280-Y286 WeakPolarHBondContact CA-O 3.48Å; A280-L314 HydrophobicContact CB-CD1 4.23Å; A280-L314 HydrophobicContact CB-CD2 4.07Å
281M83.2Confident89.8Confident26 Ų2645.4 Ų45.413%0.12824%0.238CC..  trans-108.1-23.3177.1-40.1-87.7-84.200112.2R214 K279 Y286 S287 D342 E350 I351 I352R214-M281 PolarHBondContact NH2-SD 3.35Å; K279-M281 HydrophobicContact CD-SD 4.02Å; K279-M281 HydrophobicContact CG-SD 4.09Å; K279-M281 PolarHBondContact O-N 2.77Å; M281-Y286 PolarHBondContact N-O 2.84Å; M281-S287 PolarHBondContact N-OG 2.9Å; M281-D342 HydrophobicContact CB-CB 4.3Å; M281-D342 WeakPolarHBondContact CB-OD2 3.17Å; M281-D342 HydrophobicContact CG-CB 4.11Å; M281-D342 WeakPolarHBondContact CG-OD2 3.22Å; M281-E350 HydrophobicContact CE-CB 3.46Å; M281-E350 VanDerWaalsContact CE-CB 3.46Å; M281-E350 HydrophobicContact CE-CG 4.45Å; M281-I351 VanDerWaalsContact CE-O 3.22Å; M281-I351 WeakPolarHBondContact CE-O 3.48Å; M281-I352 HydrophobicContact CE-CG1 4.39Å; M281-I352 HydrophobicContact CG-CD1 4.36Å; M281-I352 HydrophobicContact CG-CG1 3.84Å; M281-I352 HydrophobicContact SD-CG1 4.3Å
282D76.8Confident89.7Confident38 Ų3845.3 Ų45.320%0.20324%0.235CC..SBendtrans-76.9149.5175.9-66.5-35.5000111.8T284 G285 Y286D282-T284 VanDerWaalsContact CB-OG1 3.24Å; D282-T284 WeakPolarHBondContact CB-OG1 3.41Å; D282-T284 PolarHBondContact O-N 3Å; D282-G285 PolarHBondContact O-N 3.3Å; D282-Y286 WeakPolarHBondContact CB-O 3.48Å; D282-Y286 PolarHBondContact N-O 2.83Å
283I72.1Confident89.7Confident185 Ų18545.3 Ų45.395%0.94924%0.235SC*.THydrogen-bonded Turntrans-58.4-18.6170.562.1167.4000113.2G285I283-G285 PolarHBondContact O-N 2.73Å
284T72.2Confident89.7Confident87 Ų8744 Ų4453%0.53423%0.228SC..THydrogen-bonded Turntrans-72.9-11.6177.460.50000112.5D282 Y286D282-T284 VanDerWaalsContact CB-OG1 3.24Å; D282-T284 WeakPolarHBondContact CB-OG1 3.41Å; D282-T284 PolarHBondContact O-N 3Å; T284-Y286 PolarHBondContact OG1-N 2.87Å
285G75.3Confident89.6Confident41 Ų4140.5 Ų40.542%0.42321%0.214SC..SBendtrans83.913.3-174.400000113.9A280 D282 I283A280-G285 VanDerWaalsContact CB-C 3.42Å; A280-G285 VanDerWaalsContact CB-O 3.27Å; A280-G285 WeakPolarHBondContact CB-O 3.41Å; D282-G285 PolarHBondContact O-N 3.3Å; I283-G285 PolarHBondContact O-N 2.73Å
286Y86.7Confident89.4Confident109 Ų10941.1 Ų41.143%0.42722%0.217SC..  trans-127.2-167.3175.5-67.6-86000110.9A280 M281 D282 T284 N312 L314A280-Y286 WeakPolarHBondContact CA-O 3.48Å; M281-Y286 PolarHBondContact N-O 2.84Å; D282-Y286 WeakPolarHBondContact CB-O 3.48Å; D282-Y286 PolarHBondContact N-O 2.83Å; T284-Y286 PolarHBondContact OG1-N 2.87Å; Y286-N312 WeakPolarHBondContact CB-OD1 3.19Å; Y286-N312 WeakPolarHBondContact CD2-OD1 3.35Å; Y286-L314 HydrophobicContact CD1-CG 4.25Å
287S91.7Very high89.5Confident0 Ų037.6 Ų37.60%021%0.207CC..  trans-146.2162171-78.80000109.2K279 M281 P289 N312 T313 D342K279-S287 PolarHBondContact O-OG 2.91Å; M281-S287 PolarHBondContact N-OG 2.9Å; S287-P289 WeakPolarHBondContact O-CD 3.44Å; S287-N312 CarbonylContact O-C 3.57Å; S287-N312 WeakPolarHBondContact O-CA 3.32Å; S287-N312 PolarHBondContact O-N 3.45Å; S287-N312 VanDerWaalsContact O-N 3.13Å; S287-T313 PolarHBondContact O-N 2.91Å; S287-D342 WeakPolarHBondContact CA-OD2 3.4Å; S287-D342 WeakPolarHBondContact CB-OD2 3.49Å; S287-D342 PolarHBondContact OG-OD2 2.72Å
288D95.7Very high89.5Confident26 Ų2639.2 Ų39.214%0.13922%0.216CC..  trans-105.266.7169.7-74.7-9.9000110.9I309 K310 K311 N312 D342 Y343D288-I309 HydrophobicContact CB-CG2 4.15Å; D288-K310 CarbonylContact C-O 3.55Å; D288-K310 WeakPolarHBondContact CA-O 3.49Å; D288-K311 WeakPolarHBondContact OD1-CA 3.33Å; D288-N312 PolarHBondContact OD1-N 3.22Å; D288-D342 WeakPolarHBondContact CA-OD1 3.43Å; D288-D342 PolarHBondContact N-OD1 3.02Å; D288-Y343 WeakPolarHBondContact CB-O 3.32Å; D288-Y343 WeakPolarHBondContact O-CB 3.44Å; D288-Y343 PolarHBondContact O-N 2.81Å; D288-Y343 VanDerWaalsContact O-N 3.16Å
289P97.8Very high89.1Confident0 Ų040.6 Ų40.60%023%0.231CC..EExtended strand (participates in β ladder)trans-69.8139.4-16629.1-40.3000114.7L278 S287 K310 T313 P316 Y318 V340 M341 I352L278-P289 HydrophobicContact CD1-CB 3.6Å; L278-P289 HydrophobicContact CD1-CG 3.89Å; S287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-K310 WeakPolarHBondContact CD-O 3.12Å; P289-K310 VanDerWaalsContact N-O 3.12Å; P289-K310 PolarHBondContact O-N 3.14Å; P289-T313 VanDerWaalsContact CD-O 3.24Å; P289-T313 WeakPolarHBondContact CD-O 3.43Å; P289-T313 HydrophobicContact CG-CG2 4.03Å; P289-T313 WeakPolarHBondContact CG-O 3.32Å; P289-P316 HydrophobicContact CB-CG 4.1Å; P289-P316 HydrophobicContact CG-CB 3.81Å; P289-P316 HydrophobicContact CG-CG 3.54Å; P289-Y318 WeakPolarHBondContact CB-OH 2.99Å; P289-Y318 PolarHBondContact O-OH 3.47Å; P289-V340 HydrophobicContact CB-CG1 4.41Å; P289-M341 CarbonylContact C-O 3.56Å; P289-M341 VanDerWaalsContact CA-O 3.24Å; P289-M341 WeakPolarHBondContact CA-O 3.38Å; P289-I352 HydrophobicContact CB-CD1 4.37Å
290Y98.4Very high89.1Confident10 Ų1047.6 Ų47.64%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-137.5151.8162.971.2-79.7000111.4K292 K306 I309 M341 N349Y290-K292 HydrophobicContact CE2-CB 4.5Å; Y290-K292 PolarHBondContact OH-NZ 2.86Å; Y290-K306 HydrophobicContact CD2-CB 4.23Å; Y290-K306 HydrophobicContact CD2-CD 4.47Å; Y290-K306 HydrophobicContact CE2-CD 4.49Å; Y290-I309 HydrophobicContact CD1-CG1 4.05Å; Y290-I309 HydrophobicContact CG-CG1 4.04Å; Y290-M341 HydrophobicContact CD1-CB 3.78Å; Y290-M341 HydrophobicContact CD2-CB 4.25Å; Y290-M341 HydrophobicContact CD2-CG 4.36Å; Y290-M341 HydrophobicContact CE1-CB 3.28Å; Y290-M341 HydrophobicContact CE1-CG 4.12Å; Y290-M341 HydrophobicContact CE2-CB 3.81Å; Y290-M341 HydrophobicContact CE2-CG 3.73Å; Y290-M341 HydrophobicContact CG-CB 4.23Å; Y290-M341 PolarHBondContact N-O 2.9Å; Y290-M341 PolarHBondContact O-N 3.49Å; Y290-M341 WeakPolarHBondContact OH-CB 3.32Å; Y290-N349 PolarHBondContact OH-ND2 2.87Å; Y290-N349 VanDerWaalsContact OH-ND2 3.17Å
291V98.6Very high89.4Confident0 Ų053.5 Ų53.50%027%0.269CS..EExtended strand (participates in β ladder)trans-102.6133.4-178.8-174.50000110I255 V272 V293 K306 T307 Y318 I338 V340I255-V291 HydrophobicContact CD1-CG1 3.94Å; I255-V291 HydrophobicContact CD1-CG2 3.97Å; V272-V291 HydrophobicContact CG1-CB 4.19Å; V272-V291 HydrophobicContact CG1-CG1 4.44Å; V272-V291 HydrophobicContact CG1-CG2 3.81Å; V272-V291 HydrophobicContact CG2-CB 4.36Å; V272-V291 HydrophobicContact CG2-CG1 4.12Å; V291-V293 HydrophobicContact CG1-CG2 4.18Å; V291-K306 CarbonylContact O-C 3.17Å; V291-K306 WeakPolarHBondContact O-CA 3.39Å; V291-T307 HydrophobicContact CB-CG2 3.94Å; V291-T307 PolarHBondContact N-OG1 3.28Å; V291-T307 PolarHBondContact O-N 2.88Å; V291-Y318 HydrophobicContact CG2-CD2 4.42Å; V291-Y318 HydrophobicContact CG2-CE2 3.84Å; V291-I338 HydrophobicContact CG1-CG2 3.56Å; V291-V340 HydrophobicContact CG2-CG2 4.25Å
292K98.2Very high89.9Confident32 Ų3257.6 Ų57.614%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-115.5120.2178.2178.5-174.5-69.5155.50108.6Y290 K304 K305 S339 M341Y290-K292 HydrophobicContact CE2-CB 4.5Å; Y290-K292 PolarHBondContact OH-NZ 2.86Å; K292-K304 HydrophobicContact CD-CD 4.18Å; K292-K304 HydrophobicContact CG-CD 4.16Å; K292-K304 HydrophobicContact CG-CG 4.12Å; K292-K305 WeakPolarHBondContact CA-O 3.44Å; K292-S339 PolarHBondContact N-O 2.82Å; K292-S339 PolarHBondContact O-N 2.79Å; K292-M341 HydrophobicContact CB-CG 4.15Å; K292-M341 HydrophobicContact CD-SD 4.33Å; K292-M341 PolarHBondContact NZ-SD 3.31Å
293V98.1Very high90.7Very high0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-112.5122.1179.8-174.60000109.2L270 V291 K304 K305 I322 F324 L336 H337 I338L270-V293 HydrophobicContact CD1-CG1 4.12Å; L270-V293 HydrophobicContact CD1-CG2 4.46Å; L270-V293 HydrophobicContact CD2-CG2 4.17Å; V291-V293 HydrophobicContact CG1-CG2 4.18Å; V293-K304 WeakPolarHBondContact O-CA 3.13Å; V293-K305 PolarHBondContact N-O 3.47Å; V293-K305 PolarHBondContact O-N 3.24Å; V293-I322 HydrophobicContact CB-CD1 4.07Å; V293-I322 HydrophobicContact CB-CG2 4.48Å; V293-I322 HydrophobicContact CG2-CD1 3.6Å; V293-F324 HydrophobicContact CB-CZ 4.34Å; V293-F324 HydrophobicContact CG1-CE2 3.75Å; V293-F324 HydrophobicContact CG1-CZ 3.83Å; V293-L336 HydrophobicContact CG1-CD2 4.3Å; V293-H337 CarbonylContact C-O 3.5Å; V293-H337 WeakPolarHBondContact CA-O 3.35Å; V293-I338 HydrophobicContact CG1-CG1 4.46Å; V293-I338 HydrophobicContact CG2-CG1 4.41Å; V293-I338 HydrophobicContact CG2-CG2 4.44Å
294S97.1Very high91.9Very high7 Ų756.5 Ų56.55%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-114.3125.3178.5-55.60000110.1K303 L336 H337S294-K303 CarbonylContact C-O 3.5Å; S294-K303 VanDerWaalsContact CA-O 3.32Å; S294-K303 WeakPolarHBondContact CA-O 3.23Å; S294-L336 WeakPolarHBondContact O-CA 3.42Å; S294-H337 PolarHBondContact N-O 2.82Å; S294-H337 PolarHBondContact O-N 2.84Å
295L96.4Very high93.1Very high11 Ų1155.8 Ų55.86%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-80.9121.5170.1-176.670.6000108.9L302 K303 F324 I326 V334 L336L295-L302 HydrophobicContact CD2-CB 4.33Å; L295-L302 PolarHBondContact O-N 3.44Å; L295-K303 HydrophobicContact CB-CB 4.14Å; L295-K303 HydrophobicContact CD2-CB 4.4Å; L295-K303 PolarHBondContact N-O 3.5Å; L295-K303 PolarHBondContact O-N 3.23Å; L295-F324 HydrophobicContact CB-CD1 3.94Å; L295-F324 HydrophobicContact CB-CE1 3.89Å; L295-F324 HydrophobicContact CB-CZ 4.48Å; L295-F324 HydrophobicContact CD1-CG 4.46Å; L295-F324 HydrophobicContact CD2-CB 4.42Å; L295-F324 HydrophobicContact CD2-CD1 4.03Å; L295-F324 HydrophobicContact CD2-CG 4.45Å; L295-F324 HydrophobicContact CG-CD1 4.43Å; L295-I326 HydrophobicContact CD1-CD1 3.75Å; L295-I326 HydrophobicContact CD1-CG1 4.25Å; L295-I326 HydrophobicContact CD2-CG1 4.46Å; L295-V334 HydrophobicContact CD1-CG1 3.28Å; L295-V334 HydrophobicContact CG-CG1 4.33Å; L295-L336 HydrophobicContact CB-CD2 4.39Å; L295-L336 HydrophobicContact CD1-CD2 3.63Å
296I94.7Very high94.1Very high15 Ų1560.6 Ų60.68%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-113.7134.5178.1-48.1-58000108.2R300 R301 V334 S335 H337I296-R300 CarbonylContact C-O 3.56Å; I296-R300 WeakPolarHBondContact CA-O 3.13Å; I296-R301 HydrophobicContact CD1-CB 3.64Å; I296-R301 HydrophobicContact CD1-CG 3.84Å; I296-V334 CarbonylContact O-C 3.56Å; I296-V334 VanDerWaalsContact O-CA 3.3Å; I296-V334 WeakPolarHBondContact O-CA 3.45Å; I296-S335 PolarHBondContact N-O 3.11Å; I296-S335 PolarHBondContact O-N 3.08Å; I296-H337 HydrophobicContact CG1-CB 4.29Å
297C92.3Very high94.7Very high24 Ų2455.7 Ų55.716%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-130.6124.8173-170.20000108.4G299 R300 L302 H333 V334C297-G299 PolarHBondContact O-N 2.94Å; C297-R300 PolarHBondContact N-O 3.17Å; C297-R300 PolarHBondContact O-N 3.15Å; C297-L302 HydrophobicContact CB-CD1 3.43Å; C297-L302 VanDerWaalsContact CB-CD1 3.43Å; C297-L302 HydrophobicContact CB-CD2 4.49Å; C297-L302 HydrophobicContact CB-CG 3.84Å; C297-H333 WeakPolarHBondContact CA-O 3.04Å; C297-V334 HydrophobicContact CB-CG2 4.2Å
298D87.7Confident95Very high113 Ų11357.9 Ų57.960%0.60427%0.273SS*.THydrogen-bonded Turntrans45.342.6-176.6-56.4-51.9000112.7R300 H333D298-R300 VanDerWaalsContact C-N 3.25Å; D298-R300 PolarHBondContact O-N 3.01Å; D298-H333 PolarHBondContact N-O 3.36Å; D298-H333 VanDerWaalsContact N-O 3.13Å; D298-H333 IonicContact OD1-CG 3.36Å; D298-H333 IonicContact OD1-ND1 3.7Å; D298-H333 PolarHBondContact OD1-ND1 2.86Å; D298-H333 IonicContact OD2-ND1 3.86Å
299G83.8Confident95.1Very high33 Ų3359.5 Ų59.534%0.3428%0.281SS..THydrogen-bonded Turntrans79.6-7.218000000117.2C297C297-G299 PolarHBondContact O-N 2.94Å
300R88.6Confident95.1Very high202 Ų20262.8 Ų62.876%0.76230%0.296SS*.EExtended strand (participates in β ladder)trans-96.7132.4178.2-62.9-175.5-179.6-166.41.1110.6I296 C297 D298 L302I296-R300 CarbonylContact C-O 3.56Å; I296-R300 WeakPolarHBondContact CA-O 3.13Å; C297-R300 PolarHBondContact N-O 3.17Å; C297-R300 PolarHBondContact O-N 3.15Å; D298-R300 VanDerWaalsContact C-N 3.25Å; D298-R300 PolarHBondContact O-N 3.01Å; R300-L302 PolarHBondContact O-N 3.02Å
301R92.9Very high95Very high164 Ų16470 Ų7062%0.61933%0.327SS*.EExtended strand (participates in β ladder)trans-76.2113.4175.7-176.5170.967.1-159.8-2.9110.4I296I296-R301 HydrophobicContact CD1-CB 3.64Å; I296-R301 HydrophobicContact CD1-CG 3.84Å
302L92.6Very high94.7Very high113 Ų11374 Ų7459%0.59235%0.349SS*.EExtended strand (participates in β ladder)trans-89.2-47.9-179.1-62.6-171.9000113L295 C297 R300L295-L302 HydrophobicContact CD2-CB 4.33Å; L295-L302 PolarHBondContact O-N 3.44Å; C297-L302 HydrophobicContact CB-CD1 3.43Å; C297-L302 VanDerWaalsContact CB-CD1 3.43Å; C297-L302 HydrophobicContact CB-CD2 4.49Å; C297-L302 HydrophobicContact CB-CG 3.84Å; R300-L302 PolarHBondContact O-N 3.02Å
303K94.6Very high94.5Very high95 Ų9574.2 Ų74.241%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-141149.4-174-158.2162.9-170170.80110.6S294 L295 F324S294-K303 CarbonylContact C-O 3.5Å; S294-K303 VanDerWaalsContact CA-O 3.32Å; S294-K303 WeakPolarHBondContact CA-O 3.23Å; L295-K303 HydrophobicContact CB-CB 4.14Å; L295-K303 HydrophobicContact CD2-CB 4.4Å; L295-K303 PolarHBondContact N-O 3.5Å; L295-K303 PolarHBondContact O-N 3.23Å; K303-F324 HydrophobicContact CB-CD1 4.27Å; K303-F324 HydrophobicContact CB-CE1 4.09Å; K303-F324 HydrophobicContact CD-CD1 4.23Å; K303-F324 HydrophobicContact CD-CE1 4.47Å; K303-F324 HydrophobicContact CG-CD1 4.45Å; K303-F324 HydrophobicContact CG-CE1 4.24Å
304K96.1Very high94.2Very high105 Ų10576 Ų7646%0.45736%0.362SS..EExtended strand (participates in β ladder)trans-138.6132.1178.4175.4174.5156.4-1800109.8K292 V293K292-K304 HydrophobicContact CD-CD 4.18Å; K292-K304 HydrophobicContact CG-CD 4.16Å; K292-K304 HydrophobicContact CG-CG 4.12Å; V293-K304 WeakPolarHBondContact O-CA 3.13Å
305K97.9Very high94.1Very high72 Ų7279.7 Ų79.731%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-132.3159.4176.7-68.9-176.1170.9-170.70109.2K292 V293 I322 I323 F324K292-K305 WeakPolarHBondContact CA-O 3.44Å; V293-K305 PolarHBondContact N-O 3.47Å; V293-K305 PolarHBondContact O-N 3.24Å; K305-I322 HydrophobicContact CB-CG2 3.66Å; K305-I322 HydrophobicContact CD-CG2 3.55Å; K305-I322 HydrophobicContact CG-CG2 4.17Å; K305-I323 PolarHBondContact NZ-O 2.89Å; K305-F324 HydrophobicContact CD-CE1 4.28Å; K305-F324 HydrophobicContact CD-CZ 4.46Å; K305-F324 HydrophobicContact CG-CE1 4.42Å
306K97.3Very high94.2Very high141 Ų14179.3 Ų79.361%0.61338%0.379SS*.EExtended strand (participates in β ladder)trans-138.7154.5178.565.1175.5-176.3173.80110.8Y290 V291Y290-K306 HydrophobicContact CD2-CB 4.23Å; Y290-K306 HydrophobicContact CD2-CD 4.47Å; Y290-K306 HydrophobicContact CE2-CD 4.49Å; V291-K306 CarbonylContact O-C 3.17Å; V291-K306 WeakPolarHBondContact O-CA 3.39Å
307T98.5Very high94.3Very high6 Ų682 Ų824%0.03740%0.397CS..  trans-82.1176.7172.163.50000111.7V272 V291 Y318 E320 I322V272-T307 HydrophobicContact CB-CG2 4.02Å; V272-T307 HydrophobicContact CG1-CG2 4.29Å; V272-T307 HydrophobicContact CG2-CG2 3.87Å; V291-T307 HydrophobicContact CB-CG2 3.94Å; V291-T307 PolarHBondContact N-OG1 3.28Å; V291-T307 PolarHBondContact O-N 2.88Å; T307-Y318 HydrophobicContact CG2-CD1 4.31Å; T307-Y318 WeakPolarHBondContact OG1-CE1 3.41Å; T307-E320 WeakPolarHBondContact CA-OE2 3.34Å; T307-E320 WeakPolarHBondContact CB-OE2 3.24Å; T307-E320 HydrophobicContact CG2-CB 4.23Å; T307-I322 HydrophobicContact CG2-CD1 4.18Å
308S98.3Very high94.6Very high46 Ų4681.6 Ų81.632%0.32239%0.392SS..  trans-59.9156.516271.30000111.6K310 Y318 E320S308-K310 VanDerWaalsContact OG-CE 3.31Å; S308-K310 WeakPolarHBondContact OG-CE 3.04Å; S308-K310 PolarHBondContact OG-NZ 3.22Å; S308-Y318 WeakPolarHBondContact O-CE1 3.49Å; S308-E320 VanDerWaalsContact CB-OE1 3.23Å; S308-E320 WeakPolarHBondContact CB-OE1 3.43Å; S308-E320 PolarHBondContact N-OE1 2.91Å; S308-E320 VanDerWaalsContact N-OE1 3.08Å; S308-E320 PolarHBondContact N-OE2 3.33Å; S308-E320 PolarHBondContact OG-OE1 3.23Å
309I97.9Very high95.1Very high60 Ų6081.3 Ų81.331%0.30839%0.39SS..  trans-90.4131.3174.3-62160000107.7D288 Y290 Y343D288-I309 HydrophobicContact CB-CG2 4.15Å; Y290-I309 HydrophobicContact CD1-CG1 4.05Å; Y290-I309 HydrophobicContact CG-CG1 4.04Å; I309-Y343 HydrophobicContact CD1-CD1 4.18Å; I309-Y343 HydrophobicContact CD1-CD2 3.85Å; I309-Y343 HydrophobicContact CD1-CE2 4.37Å; I309-Y343 HydrophobicContact CD1-CG 3.75Å; I309-Y343 HydrophobicContact CG1-CG 4.5Å; I309-Y343 HydrophobicContact CG2-CD1 4.29Å; I309-Y343 HydrophobicContact CG2-CG 4.29Å
310K97.8Very high95.8Very high70 Ų7082.2 Ų82.230%0.30439%0.385SS..  trans-107125172.8-58.2-58.7178.8-179.40107.9D288 P289 S308 T313 P316 T317 Y318D288-K310 CarbonylContact C-O 3.55Å; D288-K310 WeakPolarHBondContact CA-O 3.49Å; P289-K310 WeakPolarHBondContact CD-O 3.12Å; P289-K310 VanDerWaalsContact N-O 3.12Å; P289-K310 PolarHBondContact O-N 3.14Å; S308-K310 VanDerWaalsContact OG-CE 3.31Å; S308-K310 WeakPolarHBondContact OG-CE 3.04Å; S308-K310 PolarHBondContact OG-NZ 3.22Å; K310-T313 HydrophobicContact CB-CG2 3.76Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.87Å; K310-T317 WeakPolarHBondContact CE-O 3.34Å; K310-Y318 HydrophobicContact CG-CD1 4.15Å; K310-Y318 HydrophobicContact CG-CE1 3.7Å
311K95.8Very high96.2Very high160 Ų16075.7 Ų75.770%0.69638%0.375SS*.  trans-86.4146.3-173.9-63.8-171.3175.5-171.30112.6D288 T313D288-K311 WeakPolarHBondContact OD1-CA 3.33Å; K311-T313 PolarHBondContact O-N 3.04Å
312N91.9Very high96.5Very high86 Ų8668.3 Ų68.346%0.4635%0.347SS..SBendtrans48.351.9167.7-165.861.5000113Y286 S287 D288Y286-N312 WeakPolarHBondContact CB-OD1 3.19Å; Y286-N312 WeakPolarHBondContact CD2-OD1 3.35Å; S287-N312 CarbonylContact O-C 3.57Å; S287-N312 WeakPolarHBondContact O-CA 3.32Å; S287-N312 PolarHBondContact O-N 3.45Å; S287-N312 VanDerWaalsContact O-N 3.13Å; D288-N312 PolarHBondContact OD1-N 3.22Å
313T93.7Very high96.7Very high35 Ų3566 Ų6622%0.21534%0.335CS..  trans-149139.9-177.3-176.50000112.7S287 P289 K310 K311 N315 P316S287-T313 PolarHBondContact O-N 2.91Å; P289-T313 VanDerWaalsContact CD-O 3.24Å; P289-T313 WeakPolarHBondContact CD-O 3.43Å; P289-T313 HydrophobicContact CG-CG2 4.03Å; P289-T313 WeakPolarHBondContact CG-O 3.32Å; K310-T313 HydrophobicContact CB-CG2 3.76Å; K311-T313 PolarHBondContact O-N 3.04Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-P316 HydrophobicContact CG2-CB 3.95Å
314L91.8Very high96.8Very high37 Ų3761.5 Ų61.519%0.19432%0.316CS..SBendtrans-101-1.3172.8-54.9-178.7000112.7N277 L278 A280 Y286 P316N277-L314 PolarHBondContact N-O 2.87Å; L278-L314 HydrophobicContact CB-CB 4.33Å; L278-L314 HydrophobicContact CB-CD2 4.41Å; L278-L314 WeakPolarHBondContact CB-O 3.45Å; L278-L314 WeakPolarHBondContact CG-O 3.23Å; L278-L314 PolarHBondContact N-O 3.32Å; L278-L314 WeakPolarHBondContact O-CD2 3.37Å; A280-L314 HydrophobicContact CB-CD1 4.23Å; A280-L314 HydrophobicContact CB-CD2 4.07Å; Y286-L314 HydrophobicContact CD1-CG 4.25Å; L314-P316 VanDerWaalsContact C-CD 3.43Å
315N95.3Very high96.8Very high86 Ų8661.5 Ų61.546%0.4632%0.32SS..SBendtrans-132.655.9-178.9-58.7-78.7000111.1C275 R276 N277 T313C275-N315 CarbonylContact O-C 3.55Å; C275-N315 VanDerWaalsContact O-CA 3.31Å; C275-N315 WeakPolarHBondContact O-CA 3.47Å; R276-N315 WeakPolarHBondContact CA-OD1 3.46Å; R276-N315 WeakPolarHBondContact CB-OD1 3.31Å; N277-N315 PolarHBondContact N-OD1 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å
316P97.9Very high96.7Very high3 Ų358.2 Ų58.22%0.01931%0.307CS..  trans-66.9143.5-175.830.8-39000112K274 C275 L278 P289 K310 T313 L314 Y318K274-P316 CarbonylContact C-O 3.37Å; K274-P316 WeakPolarHBondContact CA-O 3.47Å; K274-P316 VanDerWaalsContact CB-O 3.3Å; K274-P316 WeakPolarHBondContact CB-O 3.48Å; C275-P316 HydrophobicContact CB-CG 3.8Å; C275-P316 PolarHBondContact N-O 3.42Å; L278-P316 HydrophobicContact CD1-CG 3.76Å; P289-P316 HydrophobicContact CB-CG 4.1Å; P289-P316 HydrophobicContact CG-CB 3.81Å; P289-P316 HydrophobicContact CG-CG 3.54Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.87Å; T313-P316 HydrophobicContact CG2-CB 3.95Å; L314-P316 VanDerWaalsContact C-CD 3.43Å; P316-Y318 HydrophobicContact CB-CD2 4.48Å; P316-Y318 HydrophobicContact CB-CE1 4.43Å; P316-Y318 HydrophobicContact CB-CE2 3.69Å; P316-Y318 HydrophobicContact CG-CE2 3.61Å; P316-Y318 WeakPolarHBondContact CG-OH 3.45Å
317T98.4Very high96.6Very high72 Ų7254.9 Ų54.944%0.44230%0.299SS..EExtended strand (participates in β ladder)trans-114.3127.3168.7-61.30000109.3K274 K310 N319K274-T317 HydrophobicContact CB-CG2 4.41Å; K310-T317 WeakPolarHBondContact CE-O 3.34Å; T317-N319 WeakPolarHBondContact CG2-ND2 3.4Å
318Y98.3Very high96.3Very high14 Ų1457.8 Ų57.86%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-108.2-57.4-175.2-60.3-82.4000111.5V272 I273 P289 V291 T307 S308 K310 P316 E320V272-Y318 HydrophobicContact CG1-CD2 3.59Å; V272-Y318 HydrophobicContact CG1-CE2 4.29Å; V272-Y318 HydrophobicContact CG1-CG 3.98Å; V272-Y318 WeakPolarHBondContact O-CB 3.15Å; I273-Y318 PolarHBondContact O-N 2.91Å; P289-Y318 WeakPolarHBondContact CB-OH 2.99Å; P289-Y318 PolarHBondContact O-OH 3.47Å; V291-Y318 HydrophobicContact CG2-CD2 4.42Å; V291-Y318 HydrophobicContact CG2-CE2 3.84Å; T307-Y318 HydrophobicContact CG2-CD1 4.31Å; T307-Y318 WeakPolarHBondContact OG1-CE1 3.41Å; S308-Y318 WeakPolarHBondContact O-CE1 3.49Å; K310-Y318 HydrophobicContact CG-CD1 4.15Å; K310-Y318 HydrophobicContact CG-CE1 3.7Å; P316-Y318 HydrophobicContact CB-CD2 4.48Å; P316-Y318 HydrophobicContact CB-CE1 4.43Å; P316-Y318 HydrophobicContact CB-CE2 3.69Å; P316-Y318 HydrophobicContact CG-CE2 3.61Å; P316-Y318 WeakPolarHBondContact CG-OH 3.45Å; Y318-E320 PolarHBondContact O-N 3.07Å
319N97.9Very high96Very high108 Ų10862.6 Ų62.658%0.57834%0.34SS*.EExtended strand (participates in β ladder)trans5239.3-168.9-57.3-43.4000113V272 I273 T317V272-N319 CarbonylContact O-C 3.5Å; V272-N319 VanDerWaalsContact O-CA 3.25Å; V272-N319 WeakPolarHBondContact O-CA 3.21Å; V272-N319 PolarHBondContact O-N 3.17Å; I273-N319 PolarHBondContact O-N 3.08Å; I273-N319 VanDerWaalsContact O-N 3.11Å; T317-N319 WeakPolarHBondContact CG2-ND2 3.4Å
320E98.5Very high95.7Very high51 Ų5161.9 Ų61.924%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-106.5125.7-174.8-71.1178.3-12800111.2T271 V272 T307 S308 Y318T271-E320 CarbonylContact C-O 3.43Å; T271-E320 WeakPolarHBondContact CA-O 3.23Å; V272-E320 PolarHBondContact N-O 3.29Å; V272-E320 PolarHBondContact O-N 3.42Å; T307-E320 WeakPolarHBondContact CA-OE2 3.34Å; T307-E320 WeakPolarHBondContact CB-OE2 3.24Å; T307-E320 HydrophobicContact CG2-CB 4.23Å; S308-E320 VanDerWaalsContact CB-OE1 3.23Å; S308-E320 WeakPolarHBondContact CB-OE1 3.43Å; S308-E320 PolarHBondContact N-OE1 2.91Å; S308-E320 VanDerWaalsContact N-OE1 3.08Å; S308-E320 PolarHBondContact N-OE2 3.33Å; S308-E320 PolarHBondContact OG-OE1 3.23Å; Y318-E320 PolarHBondContact O-N 3.07Å
321A97.9Very high95.4Very high65 Ų6559 Ų5954%0.53733%0.328SS..EExtended strand (participates in β ladder)trans-89.3128.3178.200000111.9T269T269-A321 HydrophobicContact CG2-CB 4.1Å
322I97.9Very high95.2Very high9 Ų956.1 Ų56.15%0.04632%0.321CS..EExtended strand (participates in β ladder)trans-115.3114.2177-61.1-179.7000108L270 V272 V293 K305 T307 F324L270-I322 PolarHBondContact N-O 3.33Å; L270-I322 PolarHBondContact O-N 3.45Å; V272-I322 HydrophobicContact CG2-CD1 4.2Å; V293-I322 HydrophobicContact CB-CD1 4.07Å; V293-I322 HydrophobicContact CB-CG2 4.48Å; V293-I322 HydrophobicContact CG2-CD1 3.6Å; K305-I322 HydrophobicContact CB-CG2 3.66Å; K305-I322 HydrophobicContact CD-CG2 3.55Å; K305-I322 HydrophobicContact CG-CG2 4.17Å; T307-I322 HydrophobicContact CG2-CD1 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.35Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.61Å
323I97.4Very high95.1Very high66 Ų6656.6 Ų56.634%0.33832%0.32SS..EExtended strand (participates in β ladder)trans-103.2135.6-174.1-56.5170.8000110.8R267 L268 T269 K305R267-I323 HydrophobicContact CG-CG2 3.5Å; L268-I323 CarbonylContact O-C 3.21Å; L268-I323 WeakPolarHBondContact O-CA 3.27Å; T269-I323 HydrophobicContact CG2-CG1 4.21Å; K305-I323 PolarHBondContact NZ-O 2.89Å
324F97.2Very high95.2Very high0 Ų055.1 Ų55.10%031%0.311CS..EExtended strand (participates in β ladder)trans-125140.1171.2-60.7-78.6000110.3L268 V293 L295 K303 K305 I322 I326 L336L268-F324 PolarHBondContact N-O 3.38Å; L268-F324 PolarHBondContact O-N 3.43Å; V293-F324 HydrophobicContact CB-CZ 4.34Å; V293-F324 HydrophobicContact CG1-CE2 3.75Å; V293-F324 HydrophobicContact CG1-CZ 3.83Å; L295-F324 HydrophobicContact CB-CD1 3.94Å; L295-F324 HydrophobicContact CB-CE1 3.89Å; L295-F324 HydrophobicContact CB-CZ 4.48Å; L295-F324 HydrophobicContact CD1-CG 4.46Å; L295-F324 HydrophobicContact CD2-CB 4.42Å; L295-F324 HydrophobicContact CD2-CD1 4.03Å; L295-F324 HydrophobicContact CD2-CG 4.45Å; L295-F324 HydrophobicContact CG-CD1 4.43Å; K303-F324 HydrophobicContact CB-CD1 4.27Å; K303-F324 HydrophobicContact CB-CE1 4.09Å; K303-F324 HydrophobicContact CD-CD1 4.23Å; K303-F324 HydrophobicContact CD-CE1 4.47Å; K303-F324 HydrophobicContact CG-CD1 4.45Å; K303-F324 HydrophobicContact CG-CE1 4.24Å; K305-F324 HydrophobicContact CD-CE1 4.28Å; K305-F324 HydrophobicContact CD-CZ 4.46Å; K305-F324 HydrophobicContact CG-CE1 4.42Å; I322-F324 HydrophobicContact CG2-CD2 4.35Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.61Å; F324-I326 HydrophobicContact CB-CD1 4.01Å; F324-I326 HydrophobicContact CB-CG1 4.08Å; F324-L336 HydrophobicContact CD2-CD2 4.06Å; F324-L336 HydrophobicContact CE2-CD2 3.91Å; F324-L336 HydrophobicContact CZ-CD2 4.5Å
325D96.1Very high95.3Very high104 Ų10454.9 Ų54.956%0.55631%0.312SS*.EExtended strand (participates in β ladder)trans-92.2110.7173-50.2-58.4000107.3G266G266-D325 CarbonylContact O-C 3.52Å; G266-D325 VanDerWaalsContact O-CA 3.32Å; G266-D325 WeakPolarHBondContact O-CA 3.3Å
326I94.8Very high95.4Very high4 Ų450.8 Ų50.82%0.02129%0.29CS..  trans-131.4106.5-175.5-59.1167.9000107.6Y261 G266 L268 L295 F324 V334Y261-I326 HydrophobicContact CE2-CB 4.48Å; Y261-I326 WeakPolarHBondContact CE2-O 3.19Å; Y261-I326 PolarHBondContact OH-O 3.08Å; G266-I326 CarbonylContact C-O 3.52Å; G266-I326 WeakPolarHBondContact CA-O 3.44Å; G266-I326 CarbonylContact O-C 3.45Å; G266-I326 PolarHBondContact O-N 2.72Å; G266-I326 VanDerWaalsContact O-O 3.11Å; L268-I326 HydrophobicContact CB-CD1 3.69Å; L268-I326 HydrophobicContact CD2-CD1 3.44Å; L268-I326 VanDerWaalsContact CD2-CD1 3.44Å; L268-I326 HydrophobicContact CG-CD1 4.21Å; L295-I326 HydrophobicContact CD1-CD1 3.75Å; L295-I326 HydrophobicContact CD1-CG1 4.25Å; L295-I326 HydrophobicContact CD2-CG1 4.46Å; F324-I326 HydrophobicContact CB-CD1 4.01Å; F324-I326 HydrophobicContact CB-CG1 4.08Å; I326-V334 HydrophobicContact CD1-CG1 3.96Å; I326-V334 HydrophobicContact CG2-CG2 4.3Å
327P94.5Very high95.3Very high71 Ų7152.6 Ų52.646%0.46130%0.298SS..  trans-56.3146.5172.4-23.634.2000111.4D329 S330P327-D329 PolarHBondContact O-N 3.27Å; P327-S330 PolarHBondContact O-N 3.46Å
328P92.6Very high95.3Very high66 Ų6649.2 Ų49.243%0.42928%0.278SS..G310 helixtrans-53.5-41.2178.8-27.535.4000113.1Y261 S330 M331Y261-P328 WeakPolarHBondContact OH-CA 3.28Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; P328-M331 VanDerWaalsContact O-CB 3.26Å; P328-M331 WeakPolarHBondContact O-CB 3.5Å; P328-M331 PolarHBondContact O-N 3.1Å; P328-M331 VanDerWaalsContact O-N 3.11Å
329D92.5Very high95.3Very high148 Ų14849.3 Ų49.379%0.79128%0.28SS*.G310 helixtrans-64.5-19.4-178.5-53.6-21.9000113.5P327P327-D329 PolarHBondContact O-N 3.27Å
330S91.4Very high95.3Very high44 Ų4444.2 Ų44.231%0.30825%0.253SS..G310 helixtrans-97.3-3.8179.7-52.50000113.3P327 P328 D332 H333 V334P327-S330 PolarHBondContact O-N 3.46Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 2.97Å; S330-H333 PolarHBondContact O-N 2.95Å; S330-H333 VanDerWaalsContact O-N 3.16Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.47Å; S330-V334 PolarHBondContact O-N 2.84Å
331M91.4Very high95.2Very high9 Ų942.1 Ų42.14%0.04424%0.243CC..G310 helixtrans-59.7-37.9-171-177.262.791.100113Y261 P328 H333 V334 W369 M372 L373Y261-M331 HydrophobicContact CD1-CE 3.24Å; Y261-M331 HydrophobicContact CD2-CE 3.33Å; Y261-M331 HydrophobicContact CE1-CE 3.32Å; Y261-M331 HydrophobicContact CE2-CE 3.43Å; Y261-M331 VanDerWaalsContact CE2-CE 3.43Å; Y261-M331 HydrophobicContact CG-CE 3.25Å; Y261-M331 VanDerWaalsContact CZ-CE 3.42Å; P328-M331 VanDerWaalsContact O-CB 3.26Å; P328-M331 WeakPolarHBondContact O-CB 3.5Å; P328-M331 PolarHBondContact O-N 3.1Å; P328-M331 VanDerWaalsContact O-N 3.11Å; M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.1Å; M331-V334 PolarHBondContact O-N 3Å; M331-W369 HydrophobicContact CG-CZ2 4.41Å; M331-W369 HydrophobicContact SD-CH2 4.03Å; M331-W369 HydrophobicContact SD-CZ2 3.24Å; M331-W369 WeakPolarHBondContact SD-CZ2 3.25Å; M331-M372 HydrophobicContact CE-CE 4.1Å; M331-M372 HydrophobicContact SD-CE 4.36Å; M331-L373 HydrophobicContact CE-CD2 3.55Å; M331-L373 HydrophobicContact CG-CD1 4.28Å; M331-L373 HydrophobicContact CG-CD2 3.71Å; M331-L373 HydrophobicContact SD-CD2 3.94Å
332D90.9Very high95.1Very high101 Ų10139 Ų3954%0.5422%0.218SC..G310 helixtrans-72.9-22.6-177.7-66.3-31.1000113.4S330 S359 H360S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 2.97Å; D332-S359 PolarHBondContact O-OG 3.02Å; D332-H360 PolarHBondContact O-CE1 2.86Å; D332-H360 PolarHBondContact O-ND1 2.77Å
333H91.5Very high94.9Very high95 Ų9542 Ų4244%0.4423%0.229SC..G310 helixtrans-91.3-6.8-178.1-67.1-81.5000113.3C297 D298 S330 M331C297-H333 WeakPolarHBondContact CA-O 3.04Å; D298-H333 PolarHBondContact N-O 3.36Å; D298-H333 VanDerWaalsContact N-O 3.13Å; D298-H333 IonicContact OD1-CG 3.36Å; D298-H333 IonicContact OD1-ND1 3.7Å; D298-H333 PolarHBondContact OD1-ND1 2.86Å; D298-H333 IonicContact OD2-ND1 3.86Å; S330-H333 PolarHBondContact O-N 2.95Å; S330-H333 VanDerWaalsContact O-N 3.16Å; M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.1Å
334V94.4Very high94.3Very high5 Ų540.4 Ų40.43%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-105143.1-169.9169.10000111.9L295 I296 C297 I326 S330 M331 W369L295-V334 HydrophobicContact CD1-CG1 3.28Å; L295-V334 HydrophobicContact CG-CG1 4.33Å; I296-V334 CarbonylContact O-C 3.56Å; I296-V334 VanDerWaalsContact O-CA 3.3Å; I296-V334 WeakPolarHBondContact O-CA 3.45Å; C297-V334 HydrophobicContact CB-CG2 4.2Å; I326-V334 HydrophobicContact CD1-CG1 3.96Å; I326-V334 HydrophobicContact CG2-CG2 4.3Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.47Å; S330-V334 PolarHBondContact O-N 2.84Å; M331-V334 PolarHBondContact O-N 3Å; V334-W369 HydrophobicContact CG1-CH2 4.47Å
335S95.4Very high93.3Very high31 Ų3147.2 Ų47.222%0.21726%0.257CS..EExtended strand (participates in β ladder)trans-139.7155.5168.456.20000111.5I296 V357I296-S335 PolarHBondContact N-O 3.11Å; I296-S335 PolarHBondContact O-N 3.08Å; S335-V357 CarbonylContact C-O 3.55Å; S335-V357 WeakPolarHBondContact CA-O 3.42Å; S335-V357 WeakPolarHBondContact CB-O 3.37Å
336L96.8Very high92.2Very high0 Ų048.8 Ų48.80%027%0.27CS..EExtended strand (participates in β ladder)trans-105.2123.3173.5-62.9-176.9000109.8L259 L268 L270 V293 S294 L295 F324 R356 V357 W369L259-L336 HydrophobicContact CD2-CD1 4.12Å; L268-L336 HydrophobicContact CD2-CD1 3.84Å; L268-L336 HydrophobicContact CD2-CG 4.36Å; L270-L336 HydrophobicContact CB-CD1 4.39Å; L270-L336 HydrophobicContact CD1-CD1 3.63Å; V293-L336 HydrophobicContact CG1-CD2 4.3Å; S294-L336 WeakPolarHBondContact O-CA 3.42Å; L295-L336 HydrophobicContact CB-CD2 4.39Å; L295-L336 HydrophobicContact CD1-CD2 3.63Å; F324-L336 HydrophobicContact CD2-CD2 4.06Å; F324-L336 HydrophobicContact CE2-CD2 3.91Å; F324-L336 HydrophobicContact CZ-CD2 4.5Å; L336-R356 WeakPolarHBondContact O-CA 3.24Å; L336-V357 PolarHBondContact N-O 3.31Å; L336-V357 PolarHBondContact O-N 3.1Å; L336-W369 HydrophobicContact CD1-CZ3 4.17Å; L336-W369 HydrophobicContact CG-CZ3 4.17Å
337H95.9Very high91.1Very high42 Ų4251.5 Ų51.519%0.19430%0.298CS..EExtended strand (participates in β ladder)trans-96.4114.4166.7-92-150.9000109.8V293 S294 I296 R356V293-H337 CarbonylContact C-O 3.5Å; V293-H337 WeakPolarHBondContact CA-O 3.35Å; S294-H337 PolarHBondContact N-O 2.82Å; S294-H337 PolarHBondContact O-N 2.84Å; I296-H337 HydrophobicContact CG1-CB 4.29Å; H337-R356 PolarHBondContact CE1-NE 2.64Å; H337-R356 PolarHBondContact CE1-NH1 3.19Å; H337-R356 PolarHBondContact CE1-NH2 2.84Å; H337-R356 VanDerWaalsContact CE1-NH2 3.29Å; H337-R356 WeakPolarHBondContact NE2-CD 3.33Å; H337-R356 PolarHBondContact NE2-NE 3.06Å; H337-R356 PolarHBondContact NE2-NH1 3.26Å; H337-R356 VanDerWaalsContact NE2-NH1 3.15Å
338I97.7Very high90.3Very high1 Ų156.4 Ų56.41%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-104.1126178.1-53170.2000107.3I255 F257 L270 V291 V293 V354 M355 V357I255-I338 HydrophobicContact CD1-CG2 3.88Å; F257-I338 HydrophobicContact CD1-CD1 3.94Å; F257-I338 HydrophobicContact CD2-CD1 4.23Å; F257-I338 HydrophobicContact CE1-CD1 3.62Å; F257-I338 HydrophobicContact CE2-CD1 3.93Å; F257-I338 HydrophobicContact CG-CD1 4.24Å; F257-I338 HydrophobicContact CZ-CD1 3.64Å; L270-I338 HydrophobicContact CD1-CD1 3.76Å; L270-I338 HydrophobicContact CD1-CG1 4.19Å; V291-I338 HydrophobicContact CG1-CG2 3.56Å; V293-I338 HydrophobicContact CG1-CG1 4.46Å; V293-I338 HydrophobicContact CG2-CG1 4.41Å; V293-I338 HydrophobicContact CG2-CG2 4.44Å; I338-V354 CarbonylContact O-C 3.55Å; I338-V354 VanDerWaalsContact O-CA 3.32Å; I338-V354 WeakPolarHBondContact O-CA 3.33Å; I338-M355 HydrophobicContact CB-CB 4.3Å; I338-M355 HydrophobicContact CD1-CG 4.46Å; I338-M355 PolarHBondContact N-O 3.09Å; I338-M355 PolarHBondContact O-N 3.13Å; I338-M355 VanDerWaalsContact O-O 3.13Å; I338-V357 HydrophobicContact CD1-CG2 3.66Å; I338-V357 HydrophobicContact CG1-CG2 4.49Å
339S97.6Very high90.1Very high16 Ų1656.3 Ų56.311%0.11231%0.311CS..EExtended strand (participates in β ladder)trans-127.5120.5177.6-49.90000109.2K292K292-S339 PolarHBondContact N-O 2.82Å; K292-S339 PolarHBondContact O-N 2.79Å
340V98Very high89.9Confident0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-84.8124.7169.1-173.40000107I255 L278 P289 V291 I352 G353 L386I255-V340 HydrophobicContact CD1-CG2 4Å; L278-V340 HydrophobicContact CD1-CG1 4.01Å; L278-V340 HydrophobicContact CD2-CG1 4.1Å; P289-V340 HydrophobicContact CB-CG1 4.41Å; V291-V340 HydrophobicContact CG2-CG2 4.25Å; V340-I352 HydrophobicContact CB-CB 4.42Å; V340-I352 HydrophobicContact CG1-CB 4.28Å; V340-I352 HydrophobicContact CG1-CD1 4.19Å; V340-I352 PolarHBondContact O-N 3.27Å; V340-G353 PolarHBondContact N-O 3.28Å; V340-G353 PolarHBondContact O-N 3.49Å; V340-L386 HydrophobicContact CB-CD1 4.05Å; V340-L386 HydrophobicContact CB-CD2 4.44Å; V340-L386 HydrophobicContact CG2-CD1 3.76Å; V340-L386 HydrophobicContact CG2-CD2 3.65Å; V340-L386 HydrophobicContact CG2-CG 4.38Å
341M97.3Very high90Very high8 Ų854.3 Ų54.34%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-120.5147.4-171.8-53.8-73.2-41.900108.8P289 Y290 K292 N349 E350 I351P289-M341 CarbonylContact C-O 3.56Å; P289-M341 VanDerWaalsContact CA-O 3.24Å; P289-M341 WeakPolarHBondContact CA-O 3.38Å; Y290-M341 HydrophobicContact CD1-CB 3.78Å; Y290-M341 HydrophobicContact CD2-CB 4.25Å; Y290-M341 HydrophobicContact CD2-CG 4.36Å; Y290-M341 HydrophobicContact CE1-CB 3.28Å; Y290-M341 HydrophobicContact CE1-CG 4.12Å; Y290-M341 HydrophobicContact CE2-CB 3.81Å; Y290-M341 HydrophobicContact CE2-CG 3.73Å; Y290-M341 HydrophobicContact CG-CB 4.23Å; Y290-M341 PolarHBondContact N-O 2.9Å; Y290-M341 PolarHBondContact O-N 3.49Å; Y290-M341 WeakPolarHBondContact OH-CB 3.32Å; K292-M341 HydrophobicContact CB-CG 4.15Å; K292-M341 HydrophobicContact CD-SD 4.33Å; K292-M341 PolarHBondContact NZ-SD 3.31Å; M341-N349 HydrophobicContact CE-CB 4.42Å; M341-E350 CarbonylContact C-O 3.21Å; M341-E350 WeakPolarHBondContact CA-O 3.41Å; M341-E350 WeakPolarHBondContact CE-O 3.42Å; M341-I351 HydrophobicContact CE-CB 4.44Å; M341-I351 HydrophobicContact CE-CG1 3.57Å; M341-I351 HydrophobicContact SD-CB 4.45Å; M341-I351 HydrophobicContact SD-CG1 3.67Å
342D95.9Very high90.1Very high0 Ų054.2 Ų54.20%029%0.293CS..EExtended strand (participates in β ladder)trans-89.6143.7162.9-152.2-13.4000110.1M281 S287 D288 N349 E350 I352M281-D342 HydrophobicContact CB-CB 4.3Å; M281-D342 WeakPolarHBondContact CB-OD2 3.17Å; M281-D342 HydrophobicContact CG-CB 4.11Å; M281-D342 WeakPolarHBondContact CG-OD2 3.22Å; S287-D342 WeakPolarHBondContact CA-OD2 3.4Å; S287-D342 WeakPolarHBondContact CB-OD2 3.49Å; S287-D342 PolarHBondContact OG-OD2 2.72Å; D288-D342 WeakPolarHBondContact CA-OD1 3.43Å; D288-D342 PolarHBondContact N-OD1 3.02Å; D342-N349 WeakPolarHBondContact O-CA 3.38Å; D342-N349 VanDerWaalsContact O-CB 3.23Å; D342-N349 WeakPolarHBondContact O-CB 3.49Å; D342-E350 PolarHBondContact N-O 3.41Å; D342-E350 PolarHBondContact O-N 2.98Å; D342-I352 HydrophobicContact CB-CD1 4.17Å; D342-I352 HydrophobicContact CB-CG1 4.12Å
343Y93.6Very high90.2Very high72 Ų7249.4 Ų49.428%0.28227%0.268SS..  trans-106.1113.3176171.6-99.3000110D288 I309D288-Y343 WeakPolarHBondContact CB-O 3.32Å; D288-Y343 WeakPolarHBondContact O-CB 3.44Å; D288-Y343 PolarHBondContact O-N 2.81Å; D288-Y343 VanDerWaalsContact O-N 3.16Å; I309-Y343 HydrophobicContact CD1-CD1 4.18Å; I309-Y343 HydrophobicContact CD1-CD2 3.85Å; I309-Y343 HydrophobicContact CD1-CE2 4.37Å; I309-Y343 HydrophobicContact CD1-CG 3.75Å; I309-Y343 HydrophobicContact CG1-CG 4.5Å; I309-Y343 HydrophobicContact CG2-CD1 4.29Å; I309-Y343 HydrophobicContact CG2-CG 4.29Å
344D84.1Confident90.4Very high31 Ų3145.6 Ų45.617%0.16625%0.251CS..  trans-95.4127.3176.5-61.6-76.1000110.4V346 N349D344-V346 PolarHBondContact O-N 2.79Å; D344-N349 PolarHBondContact N-OD1 2.88Å; D344-N349 WeakPolarHBondContact OD2-CA 3.45Å
345L76.2Confident90.3Very high144 Ų14446 Ų4675%0.75425%0.253SS*.SBendtrans-64.4-34.9174-176.564.8000111.5
346V73.1Confident90.2Very high137 Ų13747.7 Ų47.783%0.8325%0.254SS*.SBendtrans-130.3108.9179.9-177.60000108.1D344D344-V346 PolarHBondContact O-N 2.79Å
347G73Confident90.1Very high60 Ų6047.7 Ų47.762%0.61925%0.254SS*.SBendtrans126.8-155.3-178.900000112.7
348H78.1Confident90.1Very high175 Ų17545.7 Ų45.781%0.8125%0.245SC*.  trans-112123.4-179.9-68.9-67.2000110.5E350H348-E350 PolarHBondContact O-N 2.84Å
349N86.7Confident89.6Confident64 Ų6446.9 Ų46.934%0.34225%0.253SS..PPolyproline II helixtrans-46.8121.9174.3-62.5-2.5000112.7Y290 M341 D342 D344Y290-N349 PolarHBondContact OH-ND2 2.87Å; Y290-N349 VanDerWaalsContact OH-ND2 3.17Å; M341-N349 HydrophobicContact CE-CB 4.42Å; D342-N349 WeakPolarHBondContact O-CA 3.38Å; D342-N349 VanDerWaalsContact O-CB 3.23Å; D342-N349 WeakPolarHBondContact O-CB 3.49Å; D344-N349 PolarHBondContact N-OD1 2.88Å; D344-N349 WeakPolarHBondContact OD2-CA 3.45Å
350E89.1Confident88.9Confident74 Ų7453 Ų5335%0.34628%0.28SS..PPolyproline II helixtrans-90.7151.2-178.5-59.3-162.711700113.1R214 M281 M341 D342 H348R214-E350 IonicContact CZ-OE2 3.46Å; R214-E350 IonicContact NH2-OE1 3.82Å; R214-E350 IonicContact NH2-OE2 2.64Å; R214-E350 PolarHBondContact NH2-OE2 3.37Å; M281-E350 HydrophobicContact CE-CB 3.46Å; M281-E350 VanDerWaalsContact CE-CB 3.46Å; M281-E350 HydrophobicContact CE-CG 4.45Å; M341-E350 CarbonylContact C-O 3.21Å; M341-E350 WeakPolarHBondContact CA-O 3.41Å; M341-E350 WeakPolarHBondContact CE-O 3.42Å; D342-E350 PolarHBondContact N-O 3.41Å; D342-E350 PolarHBondContact O-N 2.98Å; H348-E350 PolarHBondContact O-N 2.84Å
351I93.3Very high88.3Confident76 Ų7653.7 Ų53.739%0.3929%0.286SS..EExtended strand (participates in β ladder)trans-84.8122.9172.4-62.1173.6000108.2M281 M341 V354M281-I351 VanDerWaalsContact CE-O 3.22Å; M281-I351 WeakPolarHBondContact CE-O 3.48Å; M341-I351 HydrophobicContact CE-CB 4.44Å; M341-I351 HydrophobicContact CE-CG1 3.57Å; M341-I351 HydrophobicContact SD-CB 4.45Å; M341-I351 HydrophobicContact SD-CG1 3.67Å; I351-V354 HydrophobicContact CG2-CG1 3.92Å
352I93Very high87.5Confident6 Ų658.3 Ų58.33%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-77.2-52.6171.2-58.4-176.5000108.9L252 L278 K279 M281 P289 V340 D342L252-I352 WeakPolarHBondContact CD2-O 2.88Å; L278-I352 HydrophobicContact CD1-CD1 4.48Å; L278-I352 HydrophobicContact CD2-CG2 4.47Å; K279-I352 HydrophobicContact CB-CG2 4.11Å; M281-I352 HydrophobicContact CE-CG1 4.39Å; M281-I352 HydrophobicContact CG-CD1 4.36Å; M281-I352 HydrophobicContact CG-CG1 3.84Å; M281-I352 HydrophobicContact SD-CG1 4.3Å; P289-I352 HydrophobicContact CB-CD1 4.37Å; V340-I352 HydrophobicContact CB-CB 4.42Å; V340-I352 HydrophobicContact CG1-CB 4.28Å; V340-I352 HydrophobicContact CG1-CD1 4.19Å; V340-I352 PolarHBondContact O-N 3.27Å; D342-I352 HydrophobicContact CB-CD1 4.17Å; D342-I352 HydrophobicContact CB-CG1 4.12Å
353G93.9Very high87.1Confident1 Ų160.3 Ų60.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-171.9168.817800000113.3V340 L387V340-G353 PolarHBondContact N-O 3.28Å; V340-G353 PolarHBondContact O-N 3.49Å; G353-L387 CarbonylContact C-O 3.54Å; G353-L387 WeakPolarHBondContact CA-O 3.34Å
354V94.6Very high86.8Confident14 Ų1461.5 Ų61.59%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-128.1153-174.3-56.80000112.3I338 I351 L387I338-V354 CarbonylContact O-C 3.55Å; I338-V354 VanDerWaalsContact O-CA 3.32Å; I338-V354 WeakPolarHBondContact O-CA 3.33Å; I351-V354 HydrophobicContact CG2-CG1 3.92Å; V354-L387 WeakPolarHBondContact CG2-O 3.35Å; V354-L387 PolarHBondContact N-O 2.87Å; V354-L387 PolarHBondContact O-N 3.42Å
355M93.3Very high87.2Confident15 Ų1560.1 Ų60.17%0.07433%0.331CS..EExtended strand (participates in β ladder)trans-139.6143.7173.1170.849.463.100108.9F257 I338 V357 H384 P385F257-M355 HydrophobicContact CE1-CG 4.18Å; I338-M355 HydrophobicContact CB-CB 4.3Å; I338-M355 HydrophobicContact CD1-CG 4.46Å; I338-M355 PolarHBondContact N-O 3.09Å; I338-M355 PolarHBondContact O-N 3.13Å; I338-M355 VanDerWaalsContact O-O 3.13Å; M355-V357 HydrophobicContact CG-CG2 4.3Å; M355-H384 HydrophobicContact CE-CB 3.58Å; M355-H384 HydrophobicContact CG-CB 3.98Å; M355-H384 HydrophobicContact SD-CB 4.18Å; M355-P385 WeakPolarHBondContact CE-O 3.26Å
356R93.4Very high88Confident65 Ų6558.8 Ų58.825%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-123.3138.4177.9-60.9-172.6-177.3-156.13.5110.2L336 H337 G365 S392L336-R356 WeakPolarHBondContact O-CA 3.24Å; H337-R356 PolarHBondContact CE1-NE 2.64Å; H337-R356 PolarHBondContact CE1-NH1 3.19Å; H337-R356 PolarHBondContact CE1-NH2 2.84Å; H337-R356 VanDerWaalsContact CE1-NH2 3.29Å; H337-R356 WeakPolarHBondContact NE2-CD 3.33Å; H337-R356 PolarHBondContact NE2-NE 3.06Å; H337-R356 PolarHBondContact NE2-NH1 3.26Å; H337-R356 VanDerWaalsContact NE2-NH1 3.15Å; R356-G365 WeakPolarHBondContact O-CA 3.45Å; R356-S392 VanDerWaalsContact NH2-CB 3.29Å; R356-S392 PolarHBondContact NH2-O 3.25Å; R356-S392 PolarHBondContact NH2-OG 3.47Å; R356-S392 VanDerWaalsContact NH2-OG 3.09Å
357V95.4Very high89Confident0 Ų056.2 Ų56.20%030%0.298CS..EExtended strand (participates in β ladder)trans-137.2133.6-178.4-146.70000107.9F257 L259 S335 L336 I338 M355 G365 H368 W369F257-V357 HydrophobicContact CE1-CG2 4.44Å; F257-V357 HydrophobicContact CE2-CG1 4.44Å; F257-V357 HydrophobicContact CE2-CG2 3.89Å; F257-V357 HydrophobicContact CZ-CG1 4.38Å; F257-V357 HydrophobicContact CZ-CG2 3.46Å; F257-V357 VanDerWaalsContact CZ-CG2 3.46Å; L259-V357 HydrophobicContact CD1-CG1 3.77Å; S335-V357 CarbonylContact C-O 3.55Å; S335-V357 WeakPolarHBondContact CA-O 3.42Å; S335-V357 WeakPolarHBondContact CB-O 3.37Å; L336-V357 PolarHBondContact N-O 3.31Å; L336-V357 PolarHBondContact O-N 3.1Å; I338-V357 HydrophobicContact CD1-CG2 3.66Å; I338-V357 HydrophobicContact CG1-CG2 4.49Å; M355-V357 HydrophobicContact CG-CG2 4.3Å; V357-G365 WeakPolarHBondContact CG1-O 3.49Å; V357-H368 HydrophobicContact CG1-CB 4.43Å; V357-W369 HydrophobicContact CB-CE3 4.43Å; V357-W369 HydrophobicContact CG1-CB 4.33Å; V357-W369 HydrophobicContact CG1-CE3 4.19Å
358G93.9Very high90.1Very high0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans160.2169.8-174.900000112.1H360 A361G358-H360 PolarHBondContact O-N 2.77Å; G358-A361 WeakPolarHBondContact O-CB 3.44Å; G358-A361 PolarHBondContact O-N 3.08Å; G358-A361 VanDerWaalsContact O-N 3.13Å
359S87.3Confident91Very high26 Ų2645.1 Ų45.118%0.18223%0.23CC..THydrogen-bonded Turntrans-54.1-39.5177.5490000113D332D332-S359 PolarHBondContact O-OG 3.02Å
360H83.9Confident91.4Very high146 Ų14645.8 Ų45.868%0.67623%0.234SC*.THydrogen-bonded Turntrans-100.110.7-178.3-57.896.6000113.9D332 G358D332-H360 PolarHBondContact O-CE1 2.86Å; D332-H360 PolarHBondContact O-ND1 2.77Å; G358-H360 PolarHBondContact O-N 2.77Å
361A85Confident91.7Very high14 Ų1445.4 Ų45.412%0.11623%0.232CC..  trans-71.2167.8172.300000110.7G358 R366G358-A361 WeakPolarHBondContact O-CB 3.44Å; G358-A361 PolarHBondContact O-N 3.08Å; G358-A361 VanDerWaalsContact O-N 3.13Å; A361-R366 HydrophobicContact CB-CB 4.45Å; A361-R366 WeakPolarHBondContact O-CB 3.27Å
362E80.1Confident91.9Very high105 Ų10541.8 Ų41.849%0.49121%0.214SC..  trans-109.5152.1175.8-63-171.6-177.900111.1R399E362-R399 IonicContact OE1-CZ 3.59Å; E362-R399 IonicContact OE1-NH1 3.94Å; E362-R399 IonicContact OE1-NH2 2.92Å; E362-R399 PolarHBondContact OE1-NH2 3.44Å
363G88.1Confident92Very high42 Ų4244.3 Ų44.343%0.43323%0.227SC..THydrogen-bonded Turntrans56.3-137.5177.800000113.8G365 R366 D367G363-G365 PolarHBondContact O-N 3.42Å; G363-G365 VanDerWaalsContact O-N 3.1Å; G363-R366 WeakPolarHBondContact O-CB 3.42Å; G363-R366 PolarHBondContact O-N 3.28Å; G363-D367 PolarHBondContact O-N 3.41Å
364L88Confident92.1Very high97 Ų9747.4 Ų47.451%0.50825%0.253SS..Hα-helixtrans-55.9-31.4-173.1-61176.2000113.7R366 D367 H368 H384L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.72Å; L364-D367 PolarHBondContact O-N 3.02Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.84Å; L364-H384 PolarHBondContact O-CE1 3.24Å
365G91Very high92.1Very high2 Ų252.7 Ų52.72%0.02127%0.272CS..Hα-helixtrans-65-35.1178.100000112.7R356 V357 G363 W369R356-G365 WeakPolarHBondContact O-CA 3.45Å; V357-G365 WeakPolarHBondContact CG1-O 3.49Å; G363-G365 PolarHBondContact O-N 3.42Å; G363-G365 VanDerWaalsContact O-N 3.1Å; G365-W369 PolarHBondContact O-N 2.82Å
366R93.9Very high92Very high116 Ų11654.8 Ų54.844%0.43829%0.286SS..Hα-helixtrans-74.3-43174.8-171.2178.563.9-176.8-1.1111.2A361 G363 L364 H368 W369 N370A361-R366 HydrophobicContact CB-CB 4.45Å; A361-R366 WeakPolarHBondContact O-CB 3.27Å; G363-R366 WeakPolarHBondContact O-CB 3.42Å; G363-R366 PolarHBondContact O-N 3.28Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.72Å; R366-H368 PolarHBondContact O-N 2.83Å; R366-W369 WeakPolarHBondContact O-CB 3.43Å; R366-W369 PolarHBondContact O-N 3.15Å; R366-W369 VanDerWaalsContact O-N 3.15Å; R366-N370 VanDerWaalsContact O-CG 3.32Å; R366-N370 PolarHBondContact O-N 3.39Å
367D93.7Very high92.1Very high82 Ų8260.7 Ų60.744%0.43931%0.309SS..Hα-helixtrans-64.7-42.5-176.9-58.9-21.4000111G363 L364 W369 N370 E371G363-D367 PolarHBondContact O-N 3.41Å; L364-D367 PolarHBondContact O-N 3.02Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 3.22Å; D367-N370 PolarHBondContact O-N 3.46Å; D367-E371 WeakPolarHBondContact O-CB 3.43Å; D367-E371 PolarHBondContact O-N 3.49Å
368H96.6Very high92.1Very high2 Ų266.3 Ų66.31%0.00933%0.333CS..Hα-helixtrans-62.5-38.4173.9-172.2-174.4000112.2F257 V357 L364 R366 M372 I380 H382 H384F257-H368 AromaticContact CD2-CE1 3.78Å; F257-H368 AromaticContact CE2-CE1 3.4Å; F257-H368 VanDerWaalsContact CE2-CE1 3.4Å; F257-H368 WeakPolarHBondContact CE2-CE1 3.4Å; F257-H368 AromaticContact CE2-ND1 3.43Å; F257-H368 WeakPolarHBondContact CE2-ND1 3.43Å; F257-H368 AromaticContact CZ-CE1 3.96Å; F257-H368 AromaticContact CZ-ND1 3.62Å; F257-H368 PolarHBondContact O-CE1 3.29Å; V357-H368 HydrophobicContact CG1-CB 4.43Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.84Å; R366-H368 PolarHBondContact O-N 2.83Å; H368-M372 WeakPolarHBondContact O-CB 3.31Å; H368-M372 PolarHBondContact O-N 3.11Å; H368-I380 PolarHBondContact NE2-O 3.16Å; H368-I380 VanDerWaalsContact NE2-O 3.08Å; H368-H382 AromaticContact CD2-CD2 3.5Å; H368-H382 AromaticContact CG-CD2 3.75Å; H368-H382 AromaticContact NE2-CD2 3.93Å; H368-H384 AromaticContact CE1-NE2 3.84Å; H368-H384 AromaticContact CG-NE2 3.7Å; H368-H384 AromaticContact ND1-CD2 3.84Å; H368-H384 AromaticContact ND1-CE1 3.78Å; H368-H384 AromaticContact ND1-NE2 2.96Å; H368-H384 PolarHBondContact ND1-NE2 3.39Å
369W96.6Very high92.2Very high0 Ų070.2 Ų70.20%036%0.358CS..Hα-helixtrans-65.5-46.6175.9-168.4-99.3000111.8L259 L268 M331 V334 L336 V357 G365 R366 D367 E371 M372 L373L259-W369 HydrophobicContact CD1-CE3 3.93Å; L259-W369 HydrophobicContact CD1-CZ3 4.42Å; L268-W369 HydrophobicContact CD2-CH2 3.65Å; L268-W369 HydrophobicContact CD2-CZ3 3.82Å; M331-W369 HydrophobicContact CG-CZ2 4.41Å; M331-W369 HydrophobicContact SD-CH2 4.03Å; M331-W369 HydrophobicContact SD-CZ2 3.24Å; M331-W369 WeakPolarHBondContact SD-CZ2 3.25Å; V334-W369 HydrophobicContact CG1-CH2 4.47Å; L336-W369 HydrophobicContact CD1-CZ3 4.17Å; L336-W369 HydrophobicContact CG-CZ3 4.17Å; V357-W369 HydrophobicContact CB-CE3 4.43Å; V357-W369 HydrophobicContact CG1-CB 4.33Å; V357-W369 HydrophobicContact CG1-CE3 4.19Å; G365-W369 PolarHBondContact O-N 2.82Å; R366-W369 WeakPolarHBondContact O-CB 3.43Å; R366-W369 PolarHBondContact O-N 3.15Å; R366-W369 VanDerWaalsContact O-N 3.15Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 3.22Å; W369-E371 VanDerWaalsContact C-N 3.35Å; W369-E371 PolarHBondContact O-N 2.83Å; W369-M372 HydrophobicContact CD2-CE 3.84Å; W369-M372 HydrophobicContact CE3-CE 3.95Å; W369-M372 HydrophobicContact CG-CE 4.41Å; W369-M372 HydrophobicContact CH2-CE 4.37Å; W369-M372 HydrophobicContact CZ2-CE 4.28Å; W369-M372 HydrophobicContact CZ3-CE 4.2Å; W369-M372 WeakPolarHBondContact O-CB 3.43Å; W369-M372 PolarHBondContact O-N 3.27Å; W369-L373 WeakPolarHBondContact O-CG 3.01Å; W369-L373 PolarHBondContact O-N 3.16Å; W369-L373 VanDerWaalsContact O-N 3.1Å
370N95.4Very high92.7Very high78 Ų7869.3 Ų69.342%0.41735%0.352SS..Hα-helixtrans-63.3-41.2178.8-70.8-14.1000111.7R366 D367 L373 A374R366-N370 VanDerWaalsContact O-CG 3.32Å; R366-N370 PolarHBondContact O-N 3.39Å; D367-N370 PolarHBondContact O-N 3.46Å; N370-L373 PolarHBondContact O-N 2.79Å; N370-A374 WeakPolarHBondContact O-CB 3.38Å; N370-A374 PolarHBondContact O-N 3.35Å
371E96.1Very high93.4Very high67 Ų6764.7 Ų64.731%0.31334%0.338SS..Hα-helixtrans-64.1-41.7176.4-169.9178.9-179.600111.8D367 W369 L373 A374 Y375 I380 H382D367-E371 WeakPolarHBondContact O-CB 3.43Å; D367-E371 PolarHBondContact O-N 3.49Å; W369-E371 VanDerWaalsContact C-N 3.35Å; W369-E371 PolarHBondContact O-N 2.83Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.14Å; E371-A374 PolarHBondContact O-N 2.69Å; E371-Y375 HydrophobicContact CG-CD2 3.81Å; E371-Y375 HydrophobicContact CG-CE2 3.97Å; E371-Y375 WeakPolarHBondContact O-CD2 3.4Å; E371-Y375 PolarHBondContact O-N 3.21Å; E371-I380 HydrophobicContact CB-CG2 4.41Å; E371-I380 HydrophobicContact CG-CD1 4.49Å; E371-I380 HydrophobicContact CG-CG1 4.33Å; E371-I380 HydrophobicContact CG-CG2 3.98Å; E371-H382 IonicContact OE2-CD2 3.52Å; E371-H382 IonicContact OE2-CE1 3.55Å; E371-H382 IonicContact OE2-NE2 3.89Å; E371-H382 PolarHBondContact OE2-NE2 3.46Å
372M96.9Very high93.9Very high0 Ų067.3 Ų67.30%035%0.348CS..Hα-helixtrans-57.3-42.1173.3174.8-154.565.700111.7L259 L268 M331 H368 W369 Y375L259-M372 HydrophobicContact CB-CB 4.07Å; L259-M372 HydrophobicContact CB-CG 3.84Å; L259-M372 HydrophobicContact CB-SD 3.61Å; L259-M372 HydrophobicContact CD1-SD 4.2Å; L259-M372 HydrophobicContact CG-SD 4.41Å; L268-M372 HydrophobicContact CD1-CE 4.19Å; L268-M372 HydrophobicContact CD1-SD 3.27Å; L268-M372 WeakPolarHBondContact CD1-SD 3.42Å; M331-M372 HydrophobicContact CE-CE 4.1Å; M331-M372 HydrophobicContact SD-CE 4.36Å; H368-M372 WeakPolarHBondContact O-CB 3.31Å; H368-M372 PolarHBondContact O-N 3.11Å; W369-M372 HydrophobicContact CD2-CE 3.84Å; W369-M372 HydrophobicContact CE3-CE 3.95Å; W369-M372 HydrophobicContact CG-CE 4.41Å; W369-M372 HydrophobicContact CH2-CE 4.37Å; W369-M372 HydrophobicContact CZ2-CE 4.28Å; W369-M372 HydrophobicContact CZ3-CE 4.2Å; W369-M372 WeakPolarHBondContact O-CB 3.43Å; W369-M372 PolarHBondContact O-N 3.27Å; M372-Y375 CarbonylContact O-C 3.43Å
373L95Very high94.6Very high58 Ų5865.4 Ų65.430%0.30434%0.337SS..Hα-helixtrans-70.2-36.2178.2-65.6175.9000112.5Y261 M331 W369 N370 E371 Y375 P376Y261-L373 HydrophobicContact CD1-CD2 4.46Å; M331-L373 HydrophobicContact CE-CD2 3.55Å; M331-L373 HydrophobicContact CG-CD1 4.28Å; M331-L373 HydrophobicContact CG-CD2 3.71Å; M331-L373 HydrophobicContact SD-CD2 3.94Å; W369-L373 WeakPolarHBondContact O-CG 3.01Å; W369-L373 PolarHBondContact O-N 3.16Å; W369-L373 VanDerWaalsContact O-N 3.1Å; N370-L373 PolarHBondContact O-N 2.79Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.14Å; L373-Y375 VanDerWaalsContact C-N 3.28Å; L373-Y375 PolarHBondContact O-N 2.76Å; L373-P376 WeakPolarHBondContact O-CD 3.34Å
374A95.8Very high94.8Very high67 Ų6763.5 Ų63.555%0.55432%0.317SS*.Hα-helixtrans-67.9-27.9177.300000112.8N370 E371 P376N370-A374 WeakPolarHBondContact O-CB 3.38Å; N370-A374 PolarHBondContact O-N 3.35Å; E371-A374 PolarHBondContact O-N 2.69Å; A374-P376 VanDerWaalsContact C-CD 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.17Å
375Y94.8Very high94.8Very high124 Ų12461.5 Ų61.549%0.48631%0.309SS..SBendtrans-121.170.4178.4-58.5-73.7000112.8E371 M372 L373 K378 I380E371-Y375 HydrophobicContact CG-CD2 3.81Å; E371-Y375 HydrophobicContact CG-CE2 3.97Å; E371-Y375 WeakPolarHBondContact O-CD2 3.4Å; E371-Y375 PolarHBondContact O-N 3.21Å; M372-Y375 CarbonylContact O-C 3.43Å; L373-Y375 VanDerWaalsContact C-N 3.28Å; L373-Y375 PolarHBondContact O-N 2.76Å; Y375-K378 WeakPolarHBondContact O-CB 3.24Å; Y375-K378 PolarHBondContact O-N 3.2Å; Y375-I380 HydrophobicContact CD2-CD1 4.38Å
376P92.2Very high94.8Very high59 Ų5961.8 Ų61.838%0.38331%0.31SS..THydrogen-bonded Turntrans-56.1145179.2-22.732.6000112.4P263 L373 A374 K378P263-P376 HydrophobicContact CG-CB 4.2Å; L373-P376 WeakPolarHBondContact O-CD 3.34Å; A374-P376 VanDerWaalsContact C-CD 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.17Å; P376-K378 PolarHBondContact O-N 3.05Å; P376-K378 VanDerWaalsContact O-N 3.14Å
377R93.4Very high94.6Very high189 Ų18961 Ų6171%0.71331%0.314SS*.THydrogen-bonded Turntrans67.7-4.9-178.7-50174.9-75.3-167.4-4.5115.6C260 Y261 L262C260-R377 VanDerWaalsContact SG-C 3.52Å; Y261-R377 PolarHBondContact O-N 3.24Å; L262-R377 HydrophobicContact CD1-CG 3.61Å
378K95.6Very high94.2Very high118 Ų11859.5 Ų59.551%0.51331%0.305SS..SBendtrans-95.5124.6174-171-179.7174.3-170.80109Y375 P376 I380Y375-K378 WeakPolarHBondContact O-CB 3.24Å; Y375-K378 PolarHBondContact O-N 3.2Å; P376-K378 PolarHBondContact O-N 3.05Å; P376-K378 VanDerWaalsContact O-N 3.14Å; K378-I380 HydrophobicContact CB-CD1 4.33Å; K378-I380 HydrophobicContact CD-CD1 3.88Å; K378-I380 HydrophobicContact CG-CD1 3.98Å; K378-I380 PolarHBondContact O-N 3.46Å
379P97.1Very high93.2Very high82 Ų8261.7 Ų61.753%0.53232%0.32SS..PPolyproline II helixtrans-69118.3169.428.1-31.4000109.6L259 C260L259-P379 WeakPolarHBondContact O-CA 3.43Å; C260-P379 HydrophobicContact CB-CB 4.22Å
380I97.9Very high91.4Very high8 Ų869.2 Ų69.24%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-100.1128.7174.1-54.1-55.3000107.4S258 L259 H368 E371 Y375 K378S258-I380 CarbonylContact C-O 3.51Å; S258-I380 WeakPolarHBondContact CA-O 3.46Å; S258-I380 WeakPolarHBondContact CB-O 3.38Å; L259-I380 PolarHBondContact N-O 3.41Å; L259-I380 PolarHBondContact O-N 3.44Å; H368-I380 PolarHBondContact NE2-O 3.16Å; H368-I380 VanDerWaalsContact NE2-O 3.08Å; E371-I380 HydrophobicContact CB-CG2 4.41Å; E371-I380 HydrophobicContact CG-CD1 4.49Å; E371-I380 HydrophobicContact CG-CG1 4.33Å; E371-I380 HydrophobicContact CG-CG2 3.98Å; Y375-I380 HydrophobicContact CD2-CD1 4.38Å; K378-I380 HydrophobicContact CB-CD1 4.33Å; K378-I380 HydrophobicContact CD-CD1 3.88Å; K378-I380 HydrophobicContact CG-CD1 3.98Å; K378-I380 PolarHBondContact O-N 3.46Å
381A97.6Very high89.3Confident48 Ų4870.4 Ų70.440%0.39735%0.354SS..EExtended strand (participates in β ladder)trans-124.2129.2-175.700000110.9I273I273-A381 HydrophobicContact CD1-CB 4.08Å
382H95.1Very high87Confident70 Ų7068.2 Ų68.232%0.32435%0.346SS..EExtended strand (participates in β ladder)trans-138.4154.7-179.2-78-54.6000112.1M256 F257 H368 E371 H384M256-H382 WeakPolarHBondContact CA-O 3.32Å; F257-H382 PolarHBondContact N-O 3.01Å; F257-H382 PolarHBondContact O-N 3.13Å; H368-H382 AromaticContact CD2-CD2 3.5Å; H368-H382 AromaticContact CG-CD2 3.75Å; H368-H382 AromaticContact NE2-CD2 3.93Å; E371-H382 IonicContact OE2-CD2 3.52Å; E371-H382 IonicContact OE2-CE1 3.55Å; E371-H382 IonicContact OE2-NE2 3.89Å; E371-H382 PolarHBondContact OE2-NE2 3.46Å; H382-H384 WeakPolarHBondContact CB-NE2 3.19Å
383W94.8Very high84.4Confident65 Ų6573.8 Ų73.825%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-83.7142.7165.2-76.9107.3000110.4E254 M256 K274 R276E254-W383 HydrophobicContact CB-CE3 3.76Å; E254-W383 HydrophobicContact CB-CZ3 4.13Å; M256-W383 HydrophobicContact CB-CD2 3.77Å; M256-W383 HydrophobicContact CB-CE3 3.62Å; M256-W383 HydrophobicContact CB-CH2 3.9Å; M256-W383 HydrophobicContact CB-CZ2 4.05Å; M256-W383 HydrophobicContact CB-CZ3 3.67Å; M256-W383 HydrophobicContact CE-CD2 4.21Å; M256-W383 HydrophobicContact CE-CG 4.12Å; M256-W383 HydrophobicContact CE-CZ2 4.3Å; M256-W383 HydrophobicContact CG-CD2 4.39Å; M256-W383 HydrophobicContact SD-CZ2 4.07Å; K274-W383 HydrophobicContact CD-CH2 4.27Å; K274-W383 HydrophobicContact CD-CZ2 4.44Å; K274-W383 HydrophobicContact CG-CH2 3.86Å; K274-W383 HydrophobicContact CG-CZ2 4.35Å; R276-W383 HydrophobicContact CB-CH2 4.12Å; R276-W383 HydrophobicContact CB-CZ3 4.35Å; R276-W383 HydrophobicContact CG-CE3 4.46Å; R276-W383 HydrophobicContact CG-CH2 3.73Å; R276-W383 HydrophobicContact CG-CZ3 3.7Å
384H92.4Very high81.8Confident2 Ų279.2 Ų79.21%0.00939%0.394CS..EExtended strand (participates in β ladder)trans-137.1125.3-179.1-75.7-81.5000109.9E254 I255 F257 M355 L364 H368 H382E254-H384 WeakPolarHBondContact CA-O 3.5Å; I255-H384 HydrophobicContact CG2-CB 4.09Å; I255-H384 PolarHBondContact N-O 3.34Å; I255-H384 PolarHBondContact O-N 2.77Å; F257-H384 HydrophobicContact CE1-CB 4.02Å; F257-H384 AromaticContact CE1-CD2 3.25Å; F257-H384 WeakPolarHBondContact CE1-CD2 3.32Å; F257-H384 AromaticContact CE1-CG 3.66Å; F257-H384 AromaticContact CZ-CD2 3.5Å; F257-H384 VanDerWaalsContact CZ-CD2 3.5Å; F257-H384 WeakPolarHBondContact CZ-CD2 3.33Å; F257-H384 AromaticContact CZ-NE2 3.78Å; M355-H384 HydrophobicContact CE-CB 3.58Å; M355-H384 HydrophobicContact CG-CB 3.98Å; M355-H384 HydrophobicContact SD-CB 4.18Å; L364-H384 PolarHBondContact O-CE1 3.24Å; H368-H384 AromaticContact CE1-NE2 3.84Å; H368-H384 AromaticContact CG-NE2 3.7Å; H368-H384 AromaticContact ND1-CD2 3.84Å; H368-H384 AromaticContact ND1-CE1 3.78Å; H368-H384 AromaticContact ND1-NE2 2.96Å; H368-H384 PolarHBondContact ND1-NE2 3.39Å; H382-H384 WeakPolarHBondContact CB-NE2 3.19Å
385P88.6Confident79.4Confident55 Ų5580.6 Ų80.636%0.35739%0.388SS..EExtended strand (participates in β ladder)trans-69.9140.4174.829.6-34000110.9M355M355-P385 WeakPolarHBondContact CE-O 3.26Å
386L92.1Very high76.9Confident8 Ų879.4 Ų79.44%0.04238%0.383CS..  trans-82.7137.9177.8-66171.5000110.8L252 G253 I255 L278 V340L252-L386 HydrophobicContact CB-CB 3.76Å; L252-L386 WeakPolarHBondContact O-CD1 3.4Å; G253-L386 VanDerWaalsContact O-CB 3.26Å; G253-L386 WeakPolarHBondContact O-CB 3.24Å; G253-L386 WeakPolarHBondContact O-CG 3.3Å; G253-L386 PolarHBondContact O-N 3.33Å; I255-L386 HydrophobicContact CB-CD2 4.27Å; I255-L386 HydrophobicContact CG2-CD2 3.75Å; I255-L386 HydrophobicContact CG2-CG 4.42Å; L278-L386 HydrophobicContact CD2-CD1 3.52Å; V340-L386 HydrophobicContact CB-CD1 4.05Å; V340-L386 HydrophobicContact CB-CD2 4.44Å; V340-L386 HydrophobicContact CG2-CD1 3.76Å; V340-L386 HydrophobicContact CG2-CD2 3.65Å; V340-L386 HydrophobicContact CG2-CG 4.38Å
387L89.1Confident74.5Confident100 Ų10083.4 Ų83.452%0.52440%0.395SS..BIsolated β-bridgetrans-111.7157.2-179-57.7177.8000111.6G353 V354G353-L387 CarbonylContact C-O 3.54Å; G353-L387 WeakPolarHBondContact CA-O 3.34Å; V354-L387 WeakPolarHBondContact CG2-O 3.35Å; V354-L387 PolarHBondContact N-O 2.87Å; V354-L387 PolarHBondContact O-N 3.42Å
388E84.9Confident72Confident50 Ų5077.8 Ų77.823%0.23439%0.388CS..  trans-65.1141.3173.4-70.3-171.8159.900111.6S247 L252 K390 K391S247-E388 WeakPolarHBondContact CB-OE2 3.31Å; S247-E388 PolarHBondContact OG-OE2 3.2Å; L252-E388 HydrophobicContact CD1-CG 4.04Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.32Å; E388-K391 PolarHBondContact O-N 3.12Å
389S76.3Confident69.6Low47 Ų4779.1 Ų79.133%0.32939%0.39SS..Hα-helixtrans-59.6-38.5179.360.60000113.2K391 S392 E393S389-K391 PolarHBondContact O-N 3.2Å; S389-S392 PolarHBondContact O-N 3.5Å; S389-S392 PolarHBondContact O-OG 3.24Å; S389-E393 PolarHBondContact O-N 3.16Å
390K59.4Low67.1Low159 Ų15977.8 Ų77.869%0.69138%0.381SS*.Hα-helixtrans-67.7-32.7-174.8-69.3-178.3-179.4173.80114.1E388 S392 E393 K394E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.32Å; K390-S392 VanDerWaalsContact C-N 3.34Å; K390-E393 PolarHBondContact O-N 2.84Å; K390-K394 PolarHBondContact O-N 3.07Å
391K49.9Very low64.5Low102 Ų10280.1 Ų80.144%0.44340%0.401SS..Hα-helixtrans-64.8-41.3174.8-80-178.8175.7170.90110.5T246 S247 E388 S389 E393 K394 E395T246-K391 PolarHBondContact O-NZ 3.48Å; S247-K391 PolarHBondContact O-NZ 3.44Å; E388-K391 PolarHBondContact O-N 3.12Å; S389-K391 PolarHBondContact O-N 3.2Å; K391-E393 VanDerWaalsContact C-N 3.29Å; K391-E393 PolarHBondContact O-N 2.92Å; K391-K394 PolarHBondContact O-N 3.07Å; K391-E395 PolarHBondContact O-N 3.19Å
392S48.7Very low61.7Low21 Ų2182 Ų8215%0.14741%0.411CS..Hα-helixtrans-69.7-20.3-179.486.90000114.7R356 S389 K390R356-S392 VanDerWaalsContact NH2-CB 3.29Å; R356-S392 PolarHBondContact NH2-O 3.25Å; R356-S392 PolarHBondContact NH2-OG 3.47Å; R356-S392 VanDerWaalsContact NH2-OG 3.09Å; S389-S392 PolarHBondContact O-N 3.5Å; S389-S392 PolarHBondContact O-OG 3.24Å; K390-S392 VanDerWaalsContact C-N 3.34Å
393E42.3Very low59Low118 Ų11887.1 Ų87.155%0.55143%0.433SS*.Hα-helixtrans-92.3-24.8-179.4-157.5174.3-154.600112.8S389 K390 K391 W396 K397S389-E393 PolarHBondContact O-N 3.16Å; K390-E393 PolarHBondContact O-N 2.84Å; K391-E393 VanDerWaalsContact C-N 3.29Å; K391-E393 PolarHBondContact O-N 2.92Å; E393-W396 WeakPolarHBondContact O-CB 3.46Å; E393-W396 PolarHBondContact O-N 3.37Å; E393-K397 PolarHBondContact O-N 3.49Å; E393-K397 VanDerWaalsContact O-N 3.16Å
394K39.2Very low56.4Low172 Ų17291.1 Ų91.175%0.74846%0.459SS*.Hα-helixtrans-74.5-40.8172.6-80.4-174.5176.6-179.10112.5K390 K391 W396 K397 A398K390-K394 PolarHBondContact O-N 3.07Å; K391-K394 PolarHBondContact O-N 3.07Å; K394-W396 PolarHBondContact O-N 3.29Å; K394-K397 PolarHBondContact O-N 3.46Å; K394-A398 PolarHBondContact O-N 3.1Å
395E45.7Very low54Low95 Ų9595.6 Ų95.644%0.44449%0.491SS..Hα-helixtrans-57.9-35.6168.7-82.7171.5172.900112K391 R399K391-E395 PolarHBondContact O-N 3.19Å; E395-R399 PolarHBondContact O-N 3.28Å
396W42.6Very low51.7Low100 Ų100101.6 Ų101.638%0.37951%0.514SS..Hα-helixtrans-65.2-51178.5177.5-95.9000112.7E393 K394 A398 R399 T400E393-W396 WeakPolarHBondContact O-CB 3.46Å; E393-W396 PolarHBondContact O-N 3.37Å; K394-W396 PolarHBondContact O-N 3.29Å; W396-A398 VanDerWaalsContact C-N 3.31Å; W396-A398 PolarHBondContact O-N 3.44Å; W396-R399 PolarHBondContact O-N 3.14Å; W396-T400 HydrophobicContact CD2-CG2 4.37Å; W396-T400 HydrophobicContact CH2-CG2 4.29Å; W396-T400 HydrophobicContact CZ2-CG2 3.8Å; W396-T400 PolarHBondContact O-N 3.31Å; W396-T400 VanDerWaalsContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.25Å
397K41.5Very low49Very low143 Ų143104.5 Ų104.562%0.62255%0.546SS*.Hα-helixtrans-64.9-33.9180-74.4-173.2178.2-177.90113E393 K394 R399 T400 A401E393-K397 PolarHBondContact O-N 3.49Å; E393-K397 VanDerWaalsContact O-N 3.16Å; K394-K397 PolarHBondContact O-N 3.46Å; K397-R399 VanDerWaalsContact C-N 3.33Å; K397-R399 PolarHBondContact O-N 3.44Å; K397-T400 PolarHBondContact O-OG1 3.18Å; K397-A401 VanDerWaalsContact O-CB 3.31Å; K397-A401 WeakPolarHBondContact O-CB 3.23Å; K397-A401 PolarHBondContact O-N 3.25Å
398A41.4Very low46.4Very low70 Ų70106 Ų10658%0.57957%0.565SS**Hα-helixtrans-65.6-35.6177.400000112.3K394 W396 S402K394-A398 PolarHBondContact O-N 3.1Å; W396-A398 VanDerWaalsContact C-N 3.31Å; W396-A398 PolarHBondContact O-N 3.44Å; A398-S402 PolarHBondContact O-N 3.24Å
399R44.4Very low44.2Very low147 Ų147109.1 Ų109.156%0.55559%0.591SS**Hα-helixtrans-84.6-33.9-178.9-70.3-176178.41716.6114E362 E395 W396 K397 S402 F403E362-R399 IonicContact OE1-CZ 3.59Å; E362-R399 IonicContact OE1-NH1 3.94Å; E362-R399 IonicContact OE1-NH2 2.92Å; E362-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 PolarHBondContact O-N 3.28Å; W396-R399 PolarHBondContact O-N 3.14Å; K397-R399 VanDerWaalsContact C-N 3.33Å; K397-R399 PolarHBondContact O-N 3.44Å; R399-S402 PolarHBondContact O-N 3.03Å; R399-F403 PolarHBondContact O-N 3.41Å
400T45Very low42.3Very low54 Ų54112.9 Ų112.933%0.33161%0.614SS.*Hα-helixtrans-71.9-34.9174.8540000112.2W396 K397 S402 F403 D404W396-T400 HydrophobicContact CD2-CG2 4.37Å; W396-T400 HydrophobicContact CH2-CG2 4.29Å; W396-T400 HydrophobicContact CZ2-CG2 3.8Å; W396-T400 PolarHBondContact O-N 3.31Å; W396-T400 VanDerWaalsContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.25Å; K397-T400 PolarHBondContact O-OG1 3.18Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.06Å; T400-F403 PolarHBondContact O-N 3.14Å; T400-D404 PolarHBondContact O-N 3.24Å
401A42.8Very low41.4Very low57 Ų57110.8 Ų110.847%0.47162%0.619SS.*Hα-helixtrans-68.4-28.5174.800000113K397 F403 S405K397-A401 VanDerWaalsContact O-CB 3.31Å; K397-A401 WeakPolarHBondContact O-CB 3.23Å; K397-A401 PolarHBondContact O-N 3.25Å; A401-F403 VanDerWaalsContact C-N 3.29Å; A401-F403 PolarHBondContact O-N 3.42Å; A401-S405 PolarHBondContact O-OG 2.69Å; A401-S405 VanDerWaalsContact O-OG 3.1Å
402S39.3Very low40.9Very low88 Ų88112 Ų11262%0.61564%0.638SS**Hα-helixtrans-71.4-22.3174.9-177.20000113.1A398 R399 T400A398-S402 PolarHBondContact O-N 3.24Å; R399-S402 PolarHBondContact O-N 3.03Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.06Å
403F39.7Very low40.7Very low176 Ų176122.2 Ų122.277%0.77267%0.673SS**Hα-helixtrans-91.9-24.6-178.6-147.4-93.5000112.7R399 T400 A401 S405R399-F403 PolarHBondContact O-N 3.41Å; T400-F403 PolarHBondContact O-N 3.14Å; A401-F403 VanDerWaalsContact C-N 3.29Å; A401-F403 PolarHBondContact O-N 3.42Å; F403-S405 PolarHBondContact O-N 3.32Å
404D39.9Very low41Very low149 Ų149122.1 Ų122.180%0.79768%0.683SS**THydrogen-bonded Turntrans-77.91.1174.2-74.9-26.7000113.7T400T400-D404 PolarHBondContact O-N 3.24Å
405S41.1Very low41.5Very low96 Ų96120 Ų12067%0.67169%0.686SS**THydrogen-bonded Turntrans-104.81.1-176.3-55.20000114.9A401 F403A401-S405 PolarHBondContact O-OG 2.69Å; A401-S405 VanDerWaalsContact O-OG 3.1Å; F403-S405 PolarHBondContact O-N 3.32Å
406Q41.2Very low41.6Very low181 Ų181120.3 Ų120.385%0.84671%0.705SS**SBendtrans-136.4116173.4-70.1-160.3200112.2
407G35Very low42Very low70 Ų70120.7 Ų120.772%0.72272%0.724SS**  trans11452.3153.200000117.8C409G407-C409 VanDerWaalsContact C-N 3.31Å; G407-C409 PolarHBondContact O-N 3.08Å
408S33.9Very low42.8Very low131 Ų131123.5 Ų123.592%0.91676%0.756SS**  trans-70.192.8150.6-75.90000108.8
409C38.8Very low42.9Very low116 Ų116126.2 Ų126.278%0.78477%0.765SS**PPolyproline II helixtrans-77.3135.6165.7-720000109.7G407G407-C409 VanDerWaalsContact C-N 3.31Å; G407-C409 PolarHBondContact O-N 3.08Å
410P37.6Very low42.8Very low126 Ų126125.1 Ų125.182%0.81878%0.776SS**PPolyproline II helixtrans-77142.217731.9-33.5000111.3
411S38.6Very low42.7Very low114 Ų114129.1 Ų129.180%0.79780%0.801SS**PPolyproline II helixtrans-58142.2175.7-51.30000112.5
412P39.7Very low42.7Very low128 Ų128133.3 Ų133.383%0.83182%0.82SS**PPolyproline II helixtrans-72.5132.9175.927.5-30.4000111.4
413R45.9Very low42.9Very low236 Ų236136.1 Ų136.189%0.89183%0.833SS**PPolyproline II helixtrans-71.6145.9170.3-77.6-176.6-164.1-160.32.8110.6
414P46.7Very low43.1Very low115 Ų115133.5 Ų133.575%0.74784%0.837SS**PPolyproline II helixtrans-73.4149.4169.631.1-31.8000110.7
415P50.8Low43.3Very low127 Ų127132.4 Ų132.483%0.82584%0.84SS**PPolyproline II helixtrans-72141.9176.229.2-31.9000110.9
416A47.7Very low43.5Very low102 Ų102135.2 Ų135.284%0.84385%0.853SS**PPolyproline II helixtrans-78.8122.9169.100000109.2
417S50.8Low43.7Very low109 Ų109131.3 Ų131.376%0.76285%0.854SS**PPolyproline II helixtrans-73.1151.3169.1-45.20000110.5
418P58.9Low44.5Very low202 Ų202136.9 Ų136.9100%1.31287%0.866SS**  trans-67.90177.228.8-34.4000113.9

Retrieved 418 of 418 residues in 186 ms (Link to these results)