A0A087Y9K7_POEFO Loading...

Myosin-binding protein H

Binds to myosin; probably involved in interaction with thick myofilaments in the A-band.

AlphaFold DB , UniProt , Accession A0A087Y9K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 496 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M47.4Very low43Very low239 Ų239153.9 Ų153.9100%1.17786%0.862SS**  0117.30-64.3-168.2-173.800106.9
2P46.4Very low42.7Very low133 Ų133149.5 Ų149.586%0.86486%0.86SS**  -131.9164.793.122-2000113.6
3S37.4Very low42.3Very low113 Ų113153.8 Ų153.879%0.7986%0.862SS**PPolyproline II helixtrans-62.3136.8-166.9500000116
4K44.5Very low41.9Very low202 Ų202157.2 Ų157.288%0.87886%0.863SS**PPolyproline II helixtrans-57.8137.4162.6-81.9177.2172.6177.20110.9
5P47.4Very low41.8Very low125 Ų125158.7 Ų158.781%0.81286%0.862SS**PPolyproline II helixtrans-76.6141.6165.813-1.8000111.5
6A49.4Very low41.7Very low87 Ų87156.5 Ų156.572%0.71986%0.858SS**PPolyproline II helixtrans-69.3155.1-179.400000113.1
7P43Very low41.6Very low124 Ų124158.4 Ų158.481%0.80586%0.859SS**PPolyproline II helixtrans-76.5133.7-178.929.8-32.5000112.3K9P7-K9 PolarHBondContact O-N 3.39Å
8I42.3Very low41.4Very low167 Ų167161.2 Ų161.286%0.85686%0.862SS**PPolyproline II helixtrans-69.8119173-62.1171.1000108.8K10I8-K10 PolarHBondContact O-N 2.83Å
9K40Very low41.3Very low197 Ų197163.4 Ų163.486%0.85786%0.863SS**PPolyproline II helixtrans-65.1123.1173.4-72.1-179.9176.1179.60109.8P7 A11P7-K9 PolarHBondContact O-N 3.39Å; K9-A11 PolarHBondContact O-N 2.69Å
10K37.4Very low41.4Very low206 Ų206165 Ų16590%0.89687%0.865SS**PPolyproline II helixtrans-61120.3166.5-78.1-179.9175.4179.20109.1I8 A12I8-K10 PolarHBondContact O-N 2.83Å; K10-A12 PolarHBondContact O-N 3.08Å
11A37.6Very low41.5Very low100 Ų100166.1 Ų166.183%0.82687%0.866SS**PPolyproline II helixtrans-71.1119.3165.800000108.9K9 K13K9-A11 PolarHBondContact O-N 2.69Å; A11-K13 PolarHBondContact O-N 3.16Å
12A39.4Very low41.3Very low101 Ų101164 Ų16484%0.83585%0.85SS**  trans-65.8115.1170.700000108.9K10 K14K10-A12 PolarHBondContact O-N 3.08Å; A12-K14 PolarHBondContact O-N 2.96Å
13K37.2Very low41.4Very low206 Ų206161.6 Ų161.690%0.89684%0.842SS**  trans-78.1106171.6-152.4177.2-174.8-176.80106.9A11 E15A11-K13 PolarHBondContact O-N 3.16Å; K13-E15 PolarHBondContact O-N 3.28Å
14K37.3Very low41.9Very low201 Ų201162.1 Ų162.187%0.87484%0.842SS**PPolyproline II helixtrans-60.4121.2175.6-149.9177.8-176.7-172.20108.4A12A12-K14 PolarHBondContact O-N 2.96Å
15E40.7Very low42.5Very low180 Ų180161 Ų16184%0.84184%0.841SS**PPolyproline II helixtrans-59.8137.3167.8-78.8178.1133.700109.4K13K13-E15 PolarHBondContact O-N 3.28Å
16P40.1Very low42.6Very low123 Ų123160.8 Ų160.880%0.79984%0.839SS**PPolyproline II helixtrans-74.4128170.528.6-29.1000109.7K18P16-K18 PolarHBondContact O-N 2.81Å
17E39.5Very low43Very low189 Ų189160.9 Ų160.988%0.88384%0.84SS**PPolyproline II helixtrans-52.8127170.2-75170.8128.900110.4K19E17-K19 PolarHBondContact O-N 3.01Å; E17-K19 VanDerWaalsContact O-N 3.1Å
18K38.4Very low43.6Very low208 Ų208160.9 Ų160.990%0.90484%0.84SS**  trans-63.2107.7163.8-85.2-178.9173.8179.90108P16 E20P16-K18 PolarHBondContact O-N 2.81Å; K18-E20 PolarHBondContact O-N 2.93Å
19K39.8Very low44.3Very low203 Ų203161.8 Ų161.888%0.88384%0.84SS**  trans-66.7111.3157.3-90.2-176.5172.6-177.80107.7E17 E21E17-K19 PolarHBondContact O-N 3.01Å; E17-K19 VanDerWaalsContact O-N 3.1Å; K19-E21 PolarHBondContact O-N 3.3Å
20E43.8Very low45Very low195 Ų195158.2 Ų158.291%0.91184%0.838SS**  trans-63.9107.9161.8-115.6174.6154.600107.9K18 K22K18-E20 PolarHBondContact O-N 2.93Å; E20-K22 PolarHBondContact O-N 3.28Å
21E41.5Very low46.1Very low189 Ų189152.6 Ų152.688%0.88383%0.829SS**  trans-79105.2171.9-165.2171171.900107.8K19 A23K19-E21 PolarHBondContact O-N 3.3Å; E21-A23 PolarHBondContact O-N 2.84Å
22K43.4Very low46.7Very low194 Ų194153.9 Ų153.984%0.84383%0.829SS**PPolyproline II helixtrans-59.2123.3175.7-171.4-179.5180-171.40108.8E20E20-K22 PolarHBondContact O-N 3.28Å
23A49.5Very low47.4Very low83 Ų83157.7 Ų157.769%0.68683%0.83SS**PPolyproline II helixtrans-53.8139.9175.800000111.1E21 E25E21-A23 PolarHBondContact O-N 2.84Å; A23-E25 PolarHBondContact O-N 2.99Å
24P47.3Very low48Very low124 Ų124153.9 Ų153.981%0.80583%0.826SS**PPolyproline II helixtrans-66.2134.9176.226.5-31.7000110.3
25E58.2Low48.5Very low179 Ų179148.3 Ų148.384%0.83682%0.818SS**PPolyproline II helixtrans-61.4138.3176.6-145.3167-170.100110A23 A27A23-E25 PolarHBondContact O-N 2.99Å; E25-A27 PolarHBondContact O-N 2.77Å
26P48.7Very low48.6Very low121 Ų121145.7 Ų145.779%0.78682%0.816SS**PPolyproline II helixtrans-64.1135.1176.925.8-32000110.2
27A58.9Low48.8Very low88 Ų88146.6 Ų146.673%0.72782%0.819SS**PPolyproline II helixtrans-58.2143.4176.900000111.1E25E25-A27 PolarHBondContact O-N 2.77Å
28P54.4Low48.8Very low124 Ų124146.5 Ų146.581%0.80582%0.818SS**PPolyproline II helixtrans-62.9137.5177.425.9-32.9000110.6
29E57.9Low49Very low186 Ų186145.8 Ų145.887%0.86982%0.818SS**PPolyproline II helixtrans-56.6140.7175.4-76.4-176.8147.900111.2
30P54.8Low48.9Very low123 Ų123140.5 Ų140.580%0.79981%0.812SS**PPolyproline II helixtrans-64.9136.4173.627.2-32.2000110.3
31A58.7Low48.6Very low88 Ų88137 Ų13773%0.72781%0.807SS**PPolyproline II helixtrans-56.8144.1175.800000111.2E33A31-E33 PolarHBondContact O-N 3.49Å
32P50.4Low48.4Very low126 Ų126133.1 Ų133.182%0.81881%0.807SS**PPolyproline II helixtrans-64133.2179.325.7-32.9000110.9
33E54.4Low47.9Very low182 Ų182133.1 Ų133.185%0.8581%0.81SS**PPolyproline II helixtrans-58.3142172.1-75.4-177.2147.300110.9A31 A35A31-E33 PolarHBondContact O-N 3.49Å; E33-A35 PolarHBondContact O-N 3.24Å
34P49.9Very low47.2Very low126 Ų126133.6 Ų133.682%0.81881%0.814SS**PPolyproline II helixtrans-65.4133.6174.427.2-32.2000110.5
35A48.9Very low46.8Very low84 Ų84132.1 Ų132.169%0.69481%0.812SS**PPolyproline II helixtrans-57.9148.2179.100000112.3E33 V37E33-A35 PolarHBondContact O-N 3.24Å; A35-V37 PolarHBondContact O-N 3.24Å
36P41.4Very low45.9Very low124 Ų124129.9 Ų129.981%0.80581%0.813SS**PPolyproline II helixtrans-65.2134.5175.927-31.9000110.2E38P36-E38 PolarHBondContact O-N 3.12Å
37V44.7Very low45.1Very low142 Ų142128.1 Ų128.186%0.86181%0.809SS**  trans-71.1115.1172-176.50000107.6A35 E39A35-V37 PolarHBondContact O-N 3.24Å; V37-E39 PolarHBondContact O-N 2.94Å
38E39.3Very low43.9Very low187 Ų187133.7 Ų133.787%0.87482%0.82SS**PPolyproline II helixtrans-63.4123.1168.5-84.1-175.9131.300109.8P36 A40P36-E38 PolarHBondContact O-N 3.12Å; E38-A40 PolarHBondContact O-N 2.73Å
39E42.7Very low42.8Very low193 Ų193131.1 Ų131.190%0.90282%0.816SS**PPolyproline II helixtrans-68.6120.1158.2-80.9-175.2144.500108.8V37V37-E39 PolarHBondContact O-N 2.94Å
40A38.1Very low41.5Very low92 Ų92131.7 Ų131.776%0.7682%0.819SS**PPolyproline II helixtrans-78.6148.3168.100000110.6E38E38-A40 PolarHBondContact O-N 2.73Å
41P37.5Very low40.5Very low123 Ų123130.1 Ų130.180%0.79982%0.816SS**PPolyproline II helixtrans-87.3162.1-162.335.4-35.7000113.9
42A37.7Very low39.9Very low106 Ų106131.8 Ų131.888%0.87682%0.819SS**PPolyproline II helixtrans-56.1137.1166.100000112
43E33.1Very low39.1Very low194 Ų194130.1 Ų130.191%0.90782%0.816SS**  trans-119.2133.4167-154.3176.1178.800110.2
44A34Very low38Very low93 Ų93130.8 Ų130.877%0.76982%0.82SS**  trans-82.7169.1-175.500000112.4
45A38.9Very low37Very low93 Ų93128.2 Ų128.277%0.76982%0.816SS**  trans-46169.217400000115.5
46P39.1Very low36.2Very low132 Ų132129.3 Ų129.386%0.85783%0.825SS**  -138.7163.9107.534.5-20.3000114.9
47A32.6Very low35.7Very low85 Ų85127.9 Ų127.970%0.70282%0.823SS**  trans-106.1164.7176.300000111.7
48E33.3Very low36.3Very low204 Ų204127 Ų12795%0.95382%0.821SS**  trans68.5146.6161.1-53.2-168.1145.700117.8
49G30.7Very low36Very low71 Ų71122.4 Ų122.473%0.73282%0.815SS**  cis-144-177-2.100000106.8
50E30.3Very low35.6Very low198 Ų198122.9 Ų122.993%0.92582%0.817SS**  cis-168.8152.846.8-85.9177.6118.400108.2
51A34.9Very low35.4Very low90 Ų90122.3 Ų122.374%0.74482%0.82SS**  trans-78.9178.7162.100000109.5
52P46.3Very low35.4Very low122 Ų122125.7 Ų125.779%0.79283%0.825SS**  cis-152.2-179.337.439.7-16.1000118.2
53A32.3Very low35.6Very low91 Ų91125.1 Ų125.175%0.75282%0.82SS**  trans68.7149.1143.900000118.8
54E31.5Very low36.2Very low197 Ų197121.7 Ų121.792%0.92182%0.815SS**  cis-177.6151.4-11.6-178.2-176.7175.200103.8
55G29.8Very low36.4Very low72 Ų72121.9 Ų121.974%0.74282%0.816SS**  trans127.4114.2151.100000119.9
56A31.4Very low36.7Very low106 Ų106126.8 Ų126.888%0.87682%0.823SS**  trans81.6116.8136.700000121.6
57A32Very low37.3Very low94 Ų94124.5 Ų124.578%0.77782%0.816SS**  trans-82.5-167.6159.700000111.2
58P57.5Low38.3Very low125 Ų125126.4 Ų126.481%0.81282%0.821SS**  -129.6174.9-52.831.7-13.6000112.5
59A31.7Very low39.4Very low90 Ų90121.1 Ų121.174%0.74481%0.812SS**  trans177.2110.9145.600000109.4
60E35.4Very low40.7Very low202 Ų202123.8 Ų123.894%0.94482%0.816SS**  64.3116105.5-71.7-163.6149.300116
61G34.1Very low42.2Very low80 Ų80123 Ų12383%0.82581%0.813SS**  trans-170.7118.6169.900000110
62E35.7Very low43.3Very low194 Ų194124.6 Ų124.691%0.90782%0.816SS**  trans-61.9157.2-165-73.4162.6114.400116.8
63A43Very low43.9Very low94 Ų94128 Ų12878%0.77782%0.818SS**  trans-60.5160.1169.500000113.3
64P44.7Very low45.6Very low123 Ų123128.9 Ų128.980%0.79982%0.816SS**  -138.1140.4123.131.1-15.3000114.9
65A39.8Very low47.1Very low96 Ų96125.5 Ų125.579%0.79381%0.811SS**  trans50.7104.1140.200000120.2
66E45.2Very low48.6Very low196 Ų196128.1 Ų128.192%0.91681%0.813SS**  trans-36.8129.7154.6-166.9175.6170.100115.2
67A50.7Low50.3Low85 Ų85128.3 Ų128.370%0.70281%0.805SS**  trans-112.4142.4163.300000108.8
68P53.8Low52Low125 Ų125129.3 Ų129.381%0.81280%0.804SS**PPolyproline II helixtrans-70.5143.6-166.927.7-33.4000112.8
69A56.9Low52.5Low92 Ų92128.6 Ų128.676%0.7680%0.799SS**PPolyproline II helixtrans-59.8140.517700000112.3
70P57.7Low54.2Low127 Ų127129.6 Ų129.683%0.82580%0.798SS**PPolyproline II helixtrans-71.4134.8170.428.9-31.7000110.5
71E62Low55.9Low181 Ų181125.8 Ų125.885%0.84679%0.791SS**PPolyproline II helixtrans-54.6145.7174.7-66.6178.6153.200112K73E71-K73 PolarHBondContact O-N 2.86Å
72P58.1Low58.1Low125 Ų125127.1 Ų127.181%0.81277%0.774SS**PPolyproline II helixtrans-65.2122.2178.426-31.8000110.3
73K58.6Low60.4Low193 Ų193125.2 Ų125.284%0.83977%0.765SS**PPolyproline II helixtrans-60.1140.6170.9-72.9-177.6178.9179.40109.7E71E71-K73 PolarHBondContact O-N 2.86Å
74P68.8Low62.5Low110 Ų110123.9 Ų123.971%0.71475%0.748SS**PPolyproline II helixtrans-58.1146.5174.723.7-31.8000110.3T76P74-T76 PolarHBondContact O-N 2.85Å; P74-T76 VanDerWaalsContact O-N 3.16Å
75P62Low64.6Low126 Ų126118.1 Ų118.182%0.81871%0.711SS**PPolyproline II helixtrans-58.7123.1178.424-32.2000109.2
76T61.6Low67.1Low126 Ų126115.2 Ų115.277%0.77369%0.685SS**PPolyproline II helixtrans-56.9135.2168.1360000108.9P74P74-T76 PolarHBondContact O-N 2.85Å; P74-T76 VanDerWaalsContact O-N 3.16Å
77P67.8Low69.4Low110 Ų110107.3 Ų107.371%0.71465%0.653SS**PPolyproline II helixtrans-54.7141.8172.623.7-31.8000108.9
78P67.1Low71.5Confident116 Ų116103.4 Ų103.475%0.75362%0.62SS**PPolyproline II helixtrans-53.8137.3178.222.2-31.7000109
79P66.9Low73.5Confident110 Ų11099.5 Ų99.571%0.71459%0.594SS**PPolyproline II helixtrans-54.8146175.123.9-32.6000109.1
80P68.8Low75.2Confident111 Ų111100.3 Ų100.372%0.72159%0.586SS**PPolyproline II helixtrans-53.4145.6177.123-32.6000110K82P80-K82 PolarHBondContact O-N 2.87Å
81P71.5Confident77Confident122 Ų12295.1 Ų95.179%0.79255%0.551SS**PPolyproline II helixtrans-55.8131.2178.623.2-31.8000109.3E83P81-E83 PolarHBondContact O-N 2.84Å
82K80.3Confident78.6Confident108 Ų10891.5 Ų91.547%0.4753%0.533SS..PPolyproline II helixtrans-63.9133.6178.6-63.5177.1-178-1780108.7P80 E164 G165P80-K82 PolarHBondContact O-N 2.87Å; K82-E164 HydrophobicContact CD-CB 3.6Å; K82-E164 HydrophobicContact CD-CG 4.44Å; K82-E164 VanDerWaalsContact CD-OE2 3.31Å; K82-E164 WeakPolarHBondContact CD-OE2 3.29Å; K82-E164 WeakPolarHBondContact CE-OE2 3.13Å; K82-E164 IonicContact NZ-OE1 2.69Å; K82-E164 PolarHBondContact NZ-OE1 3.14Å; K82-E164 IonicContact NZ-OE2 2.58Å; K82-E164 PolarHBondContact NZ-OE2 3.26Å; K82-G165 WeakPolarHBondContact O-CA 3.31Å
83E82.8Confident80.2Confident154 Ų15487.8 Ų87.872%0.7251%0.508SS*.PPolyproline II helixtrans-83.3141.4179.8-66.8-173.3168.600111.1P81 N163P81-E83 PolarHBondContact O-N 2.84Å; E83-N163 PolarHBondContact O-ND2 3.11Å
84P86.6Confident81.8Confident65 Ų6582.5 Ų82.542%0.42249%0.486SS..PPolyproline II helixtrans-67.2156.6174.229-34.2000111.5N163P84-N163 WeakPolarHBondContact CA-OD1 3.41Å
85T89.5Confident82.5Confident3 Ų381.4 Ų81.42%0.01847%0.474CS..PPolyproline II helixtrans-66161.8174.473.70000111.4T110 I111 L116 A161 N163 S168T85-T110 CarbonylContact C-O 3.57Å; T85-T110 VanDerWaalsContact CA-O 3.3Å; T85-T110 WeakPolarHBondContact CA-O 3.14Å; T85-T110 WeakPolarHBondContact CB-O 3.47Å; T85-I111 HydrophobicContact CG2-CG2 4.44Å; T85-L116 HydrophobicContact CG2-CD1 4.07Å; T85-A161 WeakPolarHBondContact OG1-CB 3.45Å; T85-N163 HydrophobicContact CG2-CB 3.79Å; T85-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T85-N163 PolarHBondContact N-ND2 3.42Å; T85-S168 WeakPolarHBondContact O-CB 3.18Å; T85-S168 WeakPolarHBondContact OG1-CB 3.38Å
86S92.3Very high83.5Confident35 Ų3580.1 Ų80.125%0.24546%0.456CS..PPolyproline II helixtrans-67.9171.8162.1570000111.5P108 E109 T110 S168S86-P108 VanDerWaalsContact O-CB 3.27Å; S86-P108 WeakPolarHBondContact O-CB 3.36Å; S86-P108 WeakPolarHBondContact O-CG 3.19Å; S86-E109 PolarHBondContact OG-N 2.87Å; S86-T110 WeakPolarHBondContact CB-OG1 3.49Å; S86-T110 PolarHBondContact N-O 2.91Å; S86-T110 PolarHBondContact OG-N 2.85Å; S86-T110 PolarHBondContact OG-O 2.93Å; S86-T110 PolarHBondContact OG-OG1 2.99Å; S86-S168 VanDerWaalsContact O-CB 3.23Å; S86-S168 WeakPolarHBondContact O-CB 3.22Å
87A93.8Very high84Confident30 Ų3076.1 Ų76.125%0.24843%0.43CS..PPolyproline II helixtrans-66.1147.5176.700000110.5P169A87-P169 WeakPolarHBondContact CA-O 3.46Å; A87-P169 HydrophobicContact CB-CB 4.43Å; A87-P169 WeakPolarHBondContact CB-O 3.3Å
88P95.1Very high84.4Confident2 Ų273.9 Ų73.91%0.01341%0.411CS..PPolyproline II helixtrans-59.1158.5166.4-8.819.9000110.8W105 S106 Y119 V159 A161 V171P88-W105 HydrophobicContact CB-CG 4.42Å; P88-S106 WeakPolarHBondContact CB-O 3.28Å; P88-Y119 HydrophobicContact CB-CE1 4.25Å; P88-Y119 HydrophobicContact CG-CD1 4.05Å; P88-Y119 HydrophobicContact CG-CE1 3.97Å; P88-V159 HydrophobicContact CG-CB 4.43Å; P88-V159 HydrophobicContact CG-CG1 4.03Å; P88-A161 HydrophobicContact CG-CB 4.07Å; P88-V171 HydrophobicContact CB-CG1 3.76Å; P88-V171 HydrophobicContact CG-CG1 3.89Å; P88-V171 WeakPolarHBondContact O-CB 3.24Å; P88-V171 WeakPolarHBondContact O-CG1 3.33Å
89V94.6Very high85.1Confident44 Ų4471.5 Ų71.527%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-120.7170.9-179.2-590000111.1L91 S106 E109V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 3.48Å; V89-S106 PolarHBondContact N-O 2.95Å; V89-S106 VanDerWaalsContact N-O 3.15Å; V89-S106 WeakPolarHBondContact O-CB 3.31Å; V89-S106 PolarHBondContact O-N 2.88Å; V89-E109 HydrophobicContact CG1-CG 4.43Å
90D93.5Very high86Confident108 Ų10866.9 Ų66.958%0.57836%0.363SS*.EExtended strand (participates in β ladder)trans5141.4176.1-51.4-39000115.3F92 S106D90-F92 VanDerWaalsContact O-CD1 3.26Å; D90-F92 WeakPolarHBondContact O-CD1 3.35Å; D90-F92 PolarHBondContact O-N 3.09Å; D90-S106 PolarHBondContact OD2-OG 2.97Å; D90-S106 VanDerWaalsContact OD2-OG 3.09Å
91L96.1Very high87Confident18 Ų1861.6 Ų61.69%0.09433%0.328CS..EExtended strand (participates in β ladder)trans-70.1120.3174.4177.864000110.3V89 I103 I104 W105 V159 V171 L173V89-L91 VanDerWaalsContact C-N 3.31Å; V89-L91 PolarHBondContact O-N 3.48Å; L91-I103 HydrophobicContact CD1-CB 4.14Å; L91-I103 HydrophobicContact CD1-CD1 4.15Å; L91-I104 WeakPolarHBondContact CA-O 3.5Å; L91-W105 HydrophobicContact CB-CB 4.28Å; L91-W105 HydrophobicContact CD1-CB 4Å; L91-W105 HydrophobicContact CD1-CE3 4.27Å; L91-V159 HydrophobicContact CD1-CG2 3.7Å; L91-V159 HydrophobicContact CD2-CG2 4.03Å; L91-V171 HydrophobicContact CB-CG1 4.01Å; L91-V171 HydrophobicContact CB-CG2 3.88Å; L91-V171 HydrophobicContact CD2-CG1 4.13Å; L91-V171 WeakPolarHBondContact CD2-O 3.27Å; L91-L173 HydrophobicContact CD2-CD2 4.17Å; L91-L173 HydrophobicContact CD2-CG 3.97Å; L91-L173 HydrophobicContact CG-CD2 3.76Å; L91-L173 HydrophobicContact CG-CG 4.09Å; L91-L173 WeakPolarHBondContact O-CD2 3.28Å
92F94.4Very high88Confident106 Ų10656.2 Ų56.247%0.46529%0.293SS..EExtended strand (participates in β ladder)trans-142.4164.5173.268.6-88.9000112.6D90 E94 I103 I104D90-F92 VanDerWaalsContact O-CD1 3.26Å; D90-F92 WeakPolarHBondContact O-CD1 3.35Å; D90-F92 PolarHBondContact O-N 3.09Å; F92-E94 HydrophobicContact CE2-CB 4.49Å; F92-I103 WeakPolarHBondContact O-CA 3.31Å; F92-I104 HydrophobicContact CE1-CB 4.1Å; F92-I104 HydrophobicContact CE1-CG2 3.91Å; F92-I104 HydrophobicContact CE2-CB 4.26Å; F92-I104 HydrophobicContact CZ-CB 3.85Å; F92-I104 HydrophobicContact CZ-CD1 4.46Å; F92-I104 HydrophobicContact CZ-CG2 3.86Å; F92-I104 PolarHBondContact N-O 2.92Å; F92-I104 PolarHBondContact O-N 3.23Å
93V92.7Very high88.7Confident47 Ų4751 Ų5129%0.28527%0.271SS..EExtended strand (participates in β ladder)trans-87.9120.8175.1179.80000109D95 V101 I103 L173 V177V93-D95 WeakPolarHBondContact CG1-O 3.46Å; V93-V101 HydrophobicContact CG1-CG1 3.91Å; V93-V101 HydrophobicContact CG2-CG1 4.29Å; V93-I103 HydrophobicContact CG2-CG2 4.35Å; V93-L173 HydrophobicContact CG2-CD1 3.61Å; V93-L173 HydrophobicContact CG2-CD2 4.44Å; V93-V177 HydrophobicContact CG2-CG1 4.47Å; V93-V177 HydrophobicContact CG2-CG2 3.58Å
94E91.7Very high89.4Confident81 Ų8145.5 Ų45.538%0.37925%0.246SC..EExtended strand (participates in β ladder)trans-82.7-48.5175.2-176.7-169.3-142.900111.1F92 T102 I104 R143F92-E94 HydrophobicContact CE2-CB 4.49Å; E94-T102 HydrophobicContact CB-CG2 4.32Å; E94-T102 PolarHBondContact N-O 2.75Å; E94-T102 WeakPolarHBondContact OE2-CG2 3.21Å; E94-I104 HydrophobicContact CB-CD1 3.86Å; E94-I104 HydrophobicContact CB-CG1 4.06Å; E94-I104 HydrophobicContact CG-CD1 3.83Å; E94-I104 VanDerWaalsContact OE1-CD1 3.29Å; E94-I104 WeakPolarHBondContact OE1-CD1 3.21Å; E94-R143 VanDerWaalsContact CD-NH2 3.31Å; E94-R143 IonicContact OE1-CZ 2.72Å; E94-R143 IonicContact OE1-NE 3.59Å; E94-R143 IonicContact OE1-NH2 2.61Å; E94-R143 PolarHBondContact OE1-NH2 2.85Å; E94-R143 IonicContact OE2-CZ 3.99Å; E94-R143 IonicContact OE2-NE 3.41Å; E94-R143 PolarHBondContact OE2-NE 2.82Å; E94-R143 IonicContact OE2-NH2 3.4Å; E94-R143 PolarHBondContact OE2-NH2 3Å
95D82.6Confident89.9Confident87 Ų8742.6 Ų42.647%0.46523%0.227SC..EExtended strand (participates in β ladder)trans-147.9158.5-176.5-17331.3000111.3V93 T102V93-D95 WeakPolarHBondContact CG1-O 3.46Å; D95-T102 PolarHBondContact N-O 3.08Å; D95-T102 PolarHBondContact O-N 2.75Å
96K84Confident90.2Very high99 Ų9944.7 Ų44.743%0.4324%0.241SC..EExtended strand (participates in β ladder)trans-150.9138.9176.761.1-170.8175.4-167.40110.9S100 V101 V177K96-S100 WeakPolarHBondContact CA-O 3.48Å; K96-V101 HydrophobicContact CB-CG2 4.47Å; K96-V177 HydrophobicContact CD-CG1 4.35Å
97N72.9Confident90.3Very high43 Ų4348.2 Ų48.223%0.2325%0.254CS..  trans-133.4-168.6176.861.944.7000110.9N99 S100 V179 K180 V182N97-N99 PolarHBondContact O-N 2.88Å; N97-N99 PolarHBondContact OD1-N 2.83Å; N97-S100 PolarHBondContact N-O 2.86Å; N97-S100 PolarHBondContact ND2-OG 2.87Å; N97-S100 WeakPolarHBondContact OD1-CA 3.46Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 2.71Å; N97-S100 PolarHBondContact OD1-O 2.99Å; N97-S100 PolarHBondContact OD1-OG 3.11Å; N97-V179 WeakPolarHBondContact O-CG1 3.47Å; N97-K180 CarbonylContact C-O 3.55Å; N97-K180 VanDerWaalsContact O-O 3.05Å; N97-V182 HydrophobicContact CB-CG2 3.46Å; N97-V182 VanDerWaalsContact CB-CG2 3.46Å
98D74.6Confident90.3Very high62 Ų6247.1 Ų47.133%0.33224%0.244SC..SBendtrans-65-22.8-173.454.9-3.8000114T151 V179 K180 E181 V182D98-T151 PolarHBondContact O-OG1 3.23Å; D98-V179 VanDerWaalsContact O-CG1 3.3Å; D98-V179 WeakPolarHBondContact O-CG1 3.44Å; D98-K180 WeakPolarHBondContact CA-O 3.36Å; D98-K180 PolarHBondContact N-O 2.8Å; D98-K180 VanDerWaalsContact N-O 3.08Å; D98-E181 HydrophobicContact CB-CG 4.49Å; D98-V182 HydrophobicContact CB-CB 4.4Å; D98-V182 HydrophobicContact CB-CG2 3.85Å; D98-V182 VanDerWaalsContact CG-CG2 3.47Å; D98-V182 VanDerWaalsContact N-CG2 3.35Å; D98-V182 WeakPolarHBondContact OD1-CG2 3.36Å
99N81.6Confident90.1Very high66 Ų6655.1 Ų55.135%0.35328%0.281SS..SBendtrans-138.83-170.7-168.529.3000113.4N97 K147 N148 Q149N97-N99 PolarHBondContact O-N 2.88Å; N97-N99 PolarHBondContact OD1-N 2.83Å; N99-K147 CarbonylContact O-C 3.56Å; N99-N148 PolarHBondContact O-N 3.39Å; N99-N148 WeakPolarHBondContact OD1-CA 3.14Å; N99-N148 PolarHBondContact OD1-N 3.47Å; N99-Q149 WeakPolarHBondContact CA-O 3.41Å; N99-Q149 PolarHBondContact O-N 3.25Å; N99-Q149 PolarHBondContact OD1-N 3.04Å; N99-Q149 PolarHBondContact OD1-O 2.91Å
100S85.8Confident89.8Confident13 Ų1357.2 Ų57.29%0.09130%0.295CS..  trans-153.8155.3179.467.10000115.1K96 N97 I146K96-S100 WeakPolarHBondContact CA-O 3.48Å; N97-S100 PolarHBondContact N-O 2.86Å; N97-S100 PolarHBondContact ND2-OG 2.87Å; N97-S100 WeakPolarHBondContact OD1-CA 3.46Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 2.71Å; N97-S100 PolarHBondContact OD1-O 2.99Å; N97-S100 PolarHBondContact OD1-OG 3.11Å; S100-I146 CarbonylContact C-O 3.57Å; S100-I146 WeakPolarHBondContact CA-O 3.42Å; S100-I146 WeakPolarHBondContact CB-O 3.47Å
101V90.1Very high89.3Confident0 Ų054.5 Ų54.50%028%0.279CS..EExtended strand (participates in β ladder)trans-128.6125.9176.3-178.20000108.1V93 K96 I103 I146 I157 V177 V179V93-V101 HydrophobicContact CG1-CG1 3.91Å; V93-V101 HydrophobicContact CG2-CG1 4.29Å; K96-V101 HydrophobicContact CB-CG2 4.47Å; V101-I103 HydrophobicContact CG1-CG2 4.15Å; V101-I146 PolarHBondContact N-O 3.38Å; V101-I146 WeakPolarHBondContact O-CB 2.95Å; V101-I146 PolarHBondContact O-N 3.45Å; V101-I157 HydrophobicContact CB-CD1 4.42Å; V101-I157 HydrophobicContact CG1-CD1 3.9Å; V101-V177 HydrophobicContact CG1-CG1 4.04Å; V101-V177 HydrophobicContact CG2-CG1 4.04Å; V101-V179 HydrophobicContact CG2-CG2 4.26Å
102T92.5Very high88.2Confident9 Ų955.8 Ų55.86%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-98.8123.6175.8-52.40000109.4E94 D95 R143 Y144 V145E94-T102 HydrophobicContact CB-CG2 4.32Å; E94-T102 PolarHBondContact N-O 2.75Å; E94-T102 WeakPolarHBondContact OE2-CG2 3.21Å; D95-T102 PolarHBondContact N-O 3.08Å; D95-T102 PolarHBondContact O-N 2.75Å; T102-R143 HydrophobicContact CG2-CG 4.24Å; T102-Y144 WeakPolarHBondContact CA-O 3.42Å; T102-V145 HydrophobicContact CG2-CG2 4.05Å
103I95.8Very high87.3Confident0 Ų059.4 Ų59.40%032%0.322CS..EExtended strand (participates in β ladder)trans-117.6148.7-179.855.1162.7000110.8L91 F92 V93 V101 W105 I121 R143 Y144 I146 I157 V159L91-I103 HydrophobicContact CD1-CB 4.14Å; L91-I103 HydrophobicContact CD1-CD1 4.15Å; F92-I103 WeakPolarHBondContact O-CA 3.31Å; V93-I103 HydrophobicContact CG2-CG2 4.35Å; V101-I103 HydrophobicContact CG1-CG2 4.15Å; I103-W105 HydrophobicContact CD1-CE3 4.14Å; I103-W105 HydrophobicContact CD1-CZ3 3.84Å; I103-W105 HydrophobicContact CG1-CE3 4.29Å; I103-W105 HydrophobicContact CG1-CZ3 3.93Å; I103-I121 HydrophobicContact CD1-CG1 4.29Å; I103-I121 HydrophobicContact CD1-CG2 3.76Å; I103-R143 WeakPolarHBondContact O-CA 3.48Å; I103-Y144 PolarHBondContact N-O 2.07Å; I103-Y144 PolarHBondContact O-N 2.76Å; I103-I146 HydrophobicContact CD1-CD1 4.24Å; I103-I146 HydrophobicContact CG1-CD1 4.42Å; I103-I146 HydrophobicContact CG2-CD1 4.44Å; I103-I157 HydrophobicContact CD1-CG2 3.9Å; I103-I157 HydrophobicContact CG2-CD1 4.21Å; I103-I157 HydrophobicContact CG2-CG2 4.32Å; I103-V159 HydrophobicContact CD1-CG2 3.8Å
104I96.6Very high86.6Confident38 Ų3858.4 Ų58.420%0.19532%0.317CS..EExtended strand (participates in β ladder)trans-129.8145.5174.7-67.5-179.5000108.6L91 F92 E94 S142 R143L91-I104 WeakPolarHBondContact CA-O 3.5Å; F92-I104 HydrophobicContact CE1-CB 4.1Å; F92-I104 HydrophobicContact CE1-CG2 3.91Å; F92-I104 HydrophobicContact CE2-CB 4.26Å; F92-I104 HydrophobicContact CZ-CB 3.85Å; F92-I104 HydrophobicContact CZ-CD1 4.46Å; F92-I104 HydrophobicContact CZ-CG2 3.86Å; F92-I104 PolarHBondContact N-O 2.92Å; F92-I104 PolarHBondContact O-N 3.23Å; E94-I104 HydrophobicContact CB-CD1 3.86Å; E94-I104 HydrophobicContact CB-CG1 4.06Å; E94-I104 HydrophobicContact CG-CD1 3.83Å; E94-I104 VanDerWaalsContact OE1-CD1 3.29Å; E94-I104 WeakPolarHBondContact OE1-CD1 3.21Å; I104-S142 WeakPolarHBondContact CA-O 3.47Å; I104-R143 HydrophobicContact CD1-CG 4.41Å; I104-R143 HydrophobicContact CG1-CB 4.15Å; I104-R143 HydrophobicContact CG1-CG 3.88Å
105W97.3Very high86.4Confident4 Ų456.1 Ų56.12%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-147.4161.3175.862.792.9000111.6P88 L91 I103 Y119 I121 Q139 S141 S142 V159P88-W105 HydrophobicContact CB-CG 4.42Å; L91-W105 HydrophobicContact CB-CB 4.28Å; L91-W105 HydrophobicContact CD1-CB 4Å; L91-W105 HydrophobicContact CD1-CE3 4.27Å; I103-W105 HydrophobicContact CD1-CE3 4.14Å; I103-W105 HydrophobicContact CD1-CZ3 3.84Å; I103-W105 HydrophobicContact CG1-CE3 4.29Å; I103-W105 HydrophobicContact CG1-CZ3 3.93Å; W105-Y119 AromaticContact CD1-CE1 3.86Å; W105-Y119 AromaticContact CE2-CD2 3.86Å; W105-Y119 AromaticContact CE2-CG 3.8Å; W105-Y119 HydrophobicContact CZ2-CD1 4.3Å; W105-Y119 AromaticContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CE2 4.22Å; W105-Y119 AromaticContact CZ2-CG 3.6Å; W105-Y119 HydrophobicContact CZ2-CG 3.6Å; W105-Y119 AromaticContact NE1-CD1 3.31Å; W105-Y119 VanDerWaalsContact NE1-CD1 3.31Å; W105-Y119 AromaticContact NE1-CD2 3.52Å; W105-Y119 AromaticContact NE1-CE1 3.22Å; W105-Y119 AromaticContact NE1-CE2 3.46Å; W105-Y119 AromaticContact NE1-CG 3.46Å; W105-Y119 AromaticContact NE1-CZ 3.3Å; W105-Y119 VanDerWaalsContact NE1-CZ 3.3Å; W105-I121 HydrophobicContact CH2-CD1 4.1Å; W105-I121 HydrophobicContact CH2-CG1 4.12Å; W105-I121 HydrophobicContact CZ3-CG1 4.43Å; W105-Q139 HydrophobicContact CH2-CG 4.15Å; W105-Q139 HydrophobicContact CZ2-CG 4.36Å; W105-S141 WeakPolarHBondContact CZ2-O 3.44Å; W105-S142 PolarHBondContact N-O 2.86Å; W105-S142 VanDerWaalsContact N-O 3.13Å; W105-S142 WeakPolarHBondContact O-CB 3.18Å; W105-S142 PolarHBondContact O-OG 2.84Å; W105-V159 HydrophobicContact CD2-CG1 3.98Å; W105-V159 HydrophobicContact CD2-CG2 4.21Å; W105-V159 HydrophobicContact CE3-CG1 4.47Å; W105-V159 HydrophobicContact CE3-CG2 4.01Å; W105-V159 HydrophobicContact CG-CG1 4.31Å; W105-V159 HydrophobicContact CZ2-CG1 4.12Å; W105-V159 HydrophobicContact CZ3-CG2 4.36Å
106S95.7Very high86.8Confident47 Ų4754 Ų5433%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-92.6152.9172.8-66.60000111.1P88 V89 D90P88-S106 WeakPolarHBondContact CB-O 3.28Å; V89-S106 PolarHBondContact N-O 2.95Å; V89-S106 VanDerWaalsContact N-O 3.15Å; V89-S106 WeakPolarHBondContact O-CB 3.31Å; V89-S106 PolarHBondContact O-N 2.88Å; D90-S106 PolarHBondContact OD2-OG 2.97Å; D90-S106 VanDerWaalsContact OD2-OG 3.09Å
107Q94.2Very high87.3Confident108 Ų10852 Ų5251%0.50530%0.297SS..PPolyproline II helixtrans-62.6156.6178.2-53.4-165.7-15.500111.8Y119Q107-Y119 WeakPolarHBondContact CA-OH 3.45Å; Q107-Y119 WeakPolarHBondContact CG-OH 3.19Å
108P94.1Very high88.4Confident7 Ų750 Ų505%0.04529%0.286CS..PPolyproline II helixtrans-56.2145173-25.535.7000112.7S86 T110 I111 A161S86-P108 VanDerWaalsContact O-CB 3.27Å; S86-P108 WeakPolarHBondContact O-CB 3.36Å; S86-P108 WeakPolarHBondContact O-CG 3.19Å; P108-T110 PolarHBondContact O-N 2.59Å; P108-I111 HydrophobicContact CB-CG1 4.49Å; P108-A161 HydrophobicContact CG-CB 3.59Å
109E92Very high89.5Confident170 Ų17047 Ų4779%0.79427%0.271SS*.SBendtrans-65-24.6175.3-65.5-176167.900112.4S86 V89S86-E109 PolarHBondContact OG-N 2.87Å; V89-E109 HydrophobicContact CG1-CG 4.43Å
110T88.5Confident90.2Very high89 Ų8944.8 Ų44.855%0.54626%0.259SS..  trans-134.4108.4-175.65.40000109.1T85 S86 P108T85-T110 CarbonylContact C-O 3.57Å; T85-T110 VanDerWaalsContact CA-O 3.3Å; T85-T110 WeakPolarHBondContact CA-O 3.14Å; T85-T110 WeakPolarHBondContact CB-O 3.47Å; S86-T110 WeakPolarHBondContact CB-OG1 3.49Å; S86-T110 PolarHBondContact N-O 2.91Å; S86-T110 PolarHBondContact OG-N 2.85Å; S86-T110 PolarHBondContact OG-O 2.93Å; S86-T110 PolarHBondContact OG-OG1 2.99Å; P108-T110 PolarHBondContact O-N 2.59Å
111I82.1Confident90.8Very high50 Ų5044.2 Ų44.226%0.25626%0.255SS..  trans-96.3-19.1-177.4-66.1161.3000111.7T85 P108 L116 N163T85-I111 HydrophobicContact CG2-CG2 4.44Å; P108-I111 HydrophobicContact CB-CG1 4.49Å; I111-L116 HydrophobicContact CG2-CB 3.83Å; I111-N163 PolarHBondContact O-ND2 2.63Å
112G73.7Confident91.1Very high46 Ų4644.8 Ų44.847%0.47426%0.258SS..  trans70.7175.3-173.200000112.8S114G112-S114 PolarHBondContact O-N 2.71Å
113D74.7Confident91.2Very high182 Ų18244.9 Ų44.997%0.97326%0.259SS*.THydrogen-bonded Turntrans-72.7-12-174-61.4-26.2000113.9G115D113-G115 VanDerWaalsContact C-N 3.35Å
114S79.2Confident91.1Very high26 Ų2645 Ų4518%0.18226%0.259CS..THydrogen-bonded Turntrans-84.4-5.2-178.754.70000114.3G112 N163 E164G112-S114 PolarHBondContact O-N 2.71Å; S114-N163 PolarHBondContact OG-ND2 2.74Å; S114-E164 VanDerWaalsContact CB-OE2 3.25Å; S114-E164 WeakPolarHBondContact CB-OE2 3.47Å
115G86.3Confident90.7Very high32 Ų3248 Ų4833%0.3327%0.271SS..  trans69.9179.7-171.900000112.8D113 N163D113-G115 VanDerWaalsContact C-N 3.35Å; G115-N163 WeakPolarHBondContact O-CB 3.17Å
116L92.1Very high90.3Very high44 Ų4450.4 Ų50.423%0.2328%0.284CS..  trans-104.9120.8-178.8177.871.9000110T85 I111 Y119 A161T85-L116 HydrophobicContact CG2-CD1 4.07Å; I111-L116 HydrophobicContact CG2-CB 3.83Å; L116-Y119 HydrophobicContact CD2-CE1 4.21Å; L116-Y119 HydrophobicContact CD2-CE2 3.84Å; L116-Y119 VanDerWaalsContact CD2-CZ 3.48Å; L116-Y119 WeakPolarHBondContact CD2-OH 3.4Å; L116-A161 HydrophobicContact CD1-CB 3.94Å
117D93.5Very high89.8Confident56 Ų5651.8 Ų51.830%0.29931%0.305SS..  trans-82.3-26.6176.7-65.7-36.5000112L138 K140 V162 N163 E164D117-L138 HydrophobicContact CB-CD1 3.81Å; D117-K140 WeakPolarHBondContact O-CD 3.39Å; D117-K140 VanDerWaalsContact O-CE 3.31Å; D117-K140 WeakPolarHBondContact O-CE 3.33Å; D117-K140 PolarHBondContact O-NZ 2.85Å; D117-V162 WeakPolarHBondContact CA-O 3.37Å; D117-V162 WeakPolarHBondContact CB-O 3.46Å; D117-V162 PolarHBondContact N-O 3.23Å; D117-N163 VanDerWaalsContact OD2-CA 3.23Å; D117-N163 WeakPolarHBondContact OD2-CA 3.4Å; D117-E164 PolarHBondContact OD2-N 2.63Å; D117-E164 VanDerWaalsContact OD2-N 3.08Å
118G95.3Very high89.6Confident1 Ų149.5 Ų49.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans144.3-154.1172.200000112.6Q139 V162G118-Q139 CarbonylContact C-O 3.53Å; G118-Q139 VanDerWaalsContact CA-O 3.23Å; G118-Q139 WeakPolarHBondContact CA-O 3.37Å; G118-V162 PolarHBondContact N-O 3.16Å; G118-V162 VanDerWaalsContact N-O 3.16Å; G118-V162 PolarHBondContact O-N 3.47Å
119Y97.6Very high89.4Confident0 Ų057.7 Ų57.70%034%0.337CS..EExtended strand (participates in β ladder)trans-129.9144.6-171-54.6-82000112.7P88 W105 Q107 L116 N135 Q139 V159 V160 A161P88-Y119 HydrophobicContact CB-CE1 4.25Å; P88-Y119 HydrophobicContact CG-CD1 4.05Å; P88-Y119 HydrophobicContact CG-CE1 3.97Å; W105-Y119 AromaticContact CD1-CE1 3.86Å; W105-Y119 AromaticContact CE2-CD2 3.86Å; W105-Y119 AromaticContact CE2-CG 3.8Å; W105-Y119 HydrophobicContact CZ2-CD1 4.3Å; W105-Y119 AromaticContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CD2 3.55Å; W105-Y119 HydrophobicContact CZ2-CE2 4.22Å; W105-Y119 AromaticContact CZ2-CG 3.6Å; W105-Y119 HydrophobicContact CZ2-CG 3.6Å; W105-Y119 AromaticContact NE1-CD1 3.31Å; W105-Y119 VanDerWaalsContact NE1-CD1 3.31Å; W105-Y119 AromaticContact NE1-CD2 3.52Å; W105-Y119 AromaticContact NE1-CE1 3.22Å; W105-Y119 AromaticContact NE1-CE2 3.46Å; W105-Y119 AromaticContact NE1-CG 3.46Å; W105-Y119 AromaticContact NE1-CZ 3.3Å; W105-Y119 VanDerWaalsContact NE1-CZ 3.3Å; Q107-Y119 WeakPolarHBondContact CA-OH 3.45Å; Q107-Y119 WeakPolarHBondContact CG-OH 3.19Å; L116-Y119 HydrophobicContact CD2-CE1 4.21Å; L116-Y119 HydrophobicContact CD2-CE2 3.84Å; L116-Y119 VanDerWaalsContact CD2-CZ 3.48Å; L116-Y119 WeakPolarHBondContact CD2-OH 3.4Å; Y119-N135 PolarHBondContact O-ND2 2.94Å; Y119-Q139 VanDerWaalsContact CD2-O 3.25Å; Y119-Q139 WeakPolarHBondContact CD2-O 3.4Å; Y119-Q139 PolarHBondContact N-O 2.89Å; Y119-Q139 PolarHBondContact O-N 3.15Å; Y119-V159 HydrophobicContact CD1-CG1 3.94Å; Y119-V159 HydrophobicContact CG-CG1 4.26Å; Y119-V160 CarbonylContact C-O 3.58Å; Y119-V160 VanDerWaalsContact CA-O 3.27Å; Y119-V160 WeakPolarHBondContact CA-O 3.46Å; Y119-A161 HydrophobicContact CD1-CB 3.99Å; Y119-A161 HydrophobicContact CE1-CB 3.95Å
120V97.3Very high89.4Confident19 Ų1953.9 Ų53.912%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-107.8125.4166.3-177.60000108E122 A133 L138 V160 V162V120-E122 HydrophobicContact CG1-CG 3.97Å; V120-A133 HydrophobicContact CG1-CB 3.82Å; V120-L138 HydrophobicContact CG2-CD2 3.54Å; V120-V160 HydrophobicContact CB-CB 4.42Å; V120-V160 PolarHBondContact N-O 3.1Å; V120-V160 PolarHBondContact O-N 2.88Å; V120-V162 HydrophobicContact CG2-CG2 3.82Å
121I97.4Very high89.7Confident0 Ų052.8 Ų52.80%031%0.308CS..EExtended strand (participates in β ladder)trans-100126176.8-5983.6000107I103 W105 A133 V134 N135 Q139 Y144 I146 I157 V159I103-I121 HydrophobicContact CD1-CG1 4.29Å; I103-I121 HydrophobicContact CD1-CG2 3.76Å; W105-I121 HydrophobicContact CH2-CD1 4.1Å; W105-I121 HydrophobicContact CH2-CG1 4.12Å; W105-I121 HydrophobicContact CZ3-CG1 4.43Å; I121-A133 CarbonylContact O-C 3.56Å; I121-A133 WeakPolarHBondContact O-CA 3.05Å; I121-V134 HydrophobicContact CB-CG2 3.71Å; I121-V134 HydrophobicContact CG2-CG2 3.58Å; I121-V134 WeakPolarHBondContact O-CG2 3.12Å; I121-V134 PolarHBondContact O-N 2.88Å; I121-N135 HydrophobicContact CD1-CB 4.49Å; I121-N135 PolarHBondContact N-OD1 3.47Å; I121-N135 PolarHBondContact O-OD1 3.32Å; I121-Q139 HydrophobicContact CD1-CB 3.72Å; I121-Q139 HydrophobicContact CD1-CG 4.22Å; I121-Y144 HydrophobicContact CB-CD1 4.18Å; I121-Y144 HydrophobicContact CB-CE1 4.5Å; I121-Y144 HydrophobicContact CD1-CD1 4.17Å; I121-Y144 HydrophobicContact CD1-CD2 3.86Å; I121-Y144 HydrophobicContact CD1-CE2 4.36Å; I121-Y144 HydrophobicContact CD1-CG 3.76Å; I121-Y144 HydrophobicContact CG1-CD1 3.96Å; I121-Y144 HydrophobicContact CG1-CD2 4.49Å; I121-Y144 HydrophobicContact CG1-CG 3.88Å; I121-Y144 HydrophobicContact CG2-CD1 4.14Å; I121-I146 HydrophobicContact CG2-CD1 4.12Å; I121-I146 HydrophobicContact CG2-CG1 4.16Å; I121-I157 HydrophobicContact CG2-CG2 4.48Å; I121-V159 HydrophobicContact CG1-CG2 4.45Å
122E96.2Very high90.2Very high12 Ų1256.2 Ų56.26%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-122.5139.1-179.5-63.3178.1148.600111.2V120 W131 K132 A133 R158 R167V120-E122 HydrophobicContact CG1-CG 3.97Å; E122-W131 HydrophobicContact CB-CE3 4.04Å; E122-K132 CarbonylContact C-O 3.54Å; E122-K132 VanDerWaalsContact CA-O 3.23Å; E122-K132 WeakPolarHBondContact CA-O 3.38Å; E122-A133 HydrophobicContact CG-CB 4.36Å; E122-R158 HydrophobicContact CB-CG 3.93Å; E122-R158 PolarHBondContact N-O 3.4Å; E122-R158 PolarHBondContact O-N 3.02Å; E122-R158 IonicContact OE2-CZ 3.96Å; E122-R158 IonicContact OE2-NE 2.67Å; E122-R158 PolarHBondContact OE2-NE 3.07Å; E122-R158 IonicContact OE2-NH2 3.28Å; E122-R158 PolarHBondContact OE2-NH2 3.37Å; E122-R167 VanDerWaalsContact CD-NH2 3.34Å; E122-R167 IonicContact OE1-CZ 3.4Å; E122-R167 IonicContact OE1-NH1 2.83Å; E122-R167 IonicContact OE1-NH2 2.8Å; E122-R167 PolarHBondContact OE1-NH2 3.42Å; E122-R167 IonicContact OE2-NH2 3.34Å
123V94.9Very high91.2Very high12 Ų1256.8 Ų56.87%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-122.9142.4-179.7179.90000109.6K132 V134 I146 L155 K156 I157V123-K132 PolarHBondContact N-O 2.82Å; V123-K132 PolarHBondContact O-N 2.76Å; V123-V134 HydrophobicContact CB-CG1 3.93Å; V123-V134 HydrophobicContact CG2-CG1 3.58Å; V123-V134 HydrophobicContact CG2-CG2 4.32Å; V123-I146 HydrophobicContact CG2-CD1 3.87Å; V123-I146 HydrophobicContact CG2-CG1 4.45Å; V123-I146 HydrophobicContact CG2-CG2 3.86Å; V123-L155 HydrophobicContact CG1-CB 4.05Å; V123-L155 HydrophobicContact CG1-CD1 4.19Å; V123-L155 HydrophobicContact CG1-CD2 3.86Å; V123-L155 HydrophobicContact CG1-CG 4.25Å; V123-K156 WeakPolarHBondContact CA-O 3.29Å; V123-I157 HydrophobicContact CG2-CG1 4.39Å
124C93.5Very high92.2Very high2 Ų250.4 Ų50.41%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-137.2135.9175.7176.10000109.5T128 W131 K156C124-T128 VanDerWaalsContact SG-C 3.57Å; C124-T128 PolarHBondContact SG-O 3.17Å; C124-T128 PolarHBondContact SG-OG1 2.78Å; C124-T128 VanDerWaalsContact SG-OG1 3.34Å; C124-W131 HydrophobicContact CB-CD2 3.49Å; C124-W131 VanDerWaalsContact CB-CD2 3.49Å; C124-W131 HydrophobicContact CB-CE3 3.52Å; C124-W131 HydrophobicContact CB-CG 3.99Å; C124-W131 HydrophobicContact CB-CH2 4.21Å; C124-W131 HydrophobicContact CB-CZ2 4.16Å; C124-W131 HydrophobicContact CB-CZ3 3.88Å; C124-K156 HydrophobicContact CB-CB 4.27Å; C124-K156 PolarHBondContact N-O 3.27Å; C124-K156 PolarHBondContact O-N 3.25Å
125K90.1Very high92.9Very high101 Ų10150 Ų5044%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-70.3134.4176.1-174.1163.8-176.3146.50109.5G127 T128 D153K125-G127 PolarHBondContact O-N 2.87Å; K125-T128 HydrophobicContact CB-CG2 4.42Å; K125-T128 PolarHBondContact O-N 3.39Å; K125-T128 PolarHBondContact O-OG1 3.32Å; K125-D153 WeakPolarHBondContact CE-OD1 3.48Å; K125-D153 IonicContact NZ-OD1 2.77Å; K125-D153 PolarHBondContact NZ-OD1 3.11Å; K125-D153 IonicContact NZ-OD2 3.56Å; K125-D153 PolarHBondContact NZ-OD2 2.72Å
126D88.1Confident93.1Very high55 Ų5558 Ų5829%0.29431%0.313SS..THydrogen-bonded Turntrans-57.4135.3179-166.726.2000110.7R154 K156 P176D126-R154 HydrophobicContact CB-CB 3.58Å; D126-R154 VanDerWaalsContact CB-O 3.28Å; D126-R154 WeakPolarHBondContact CB-O 3.19Å; D126-R154 PolarHBondContact N-O 2.91Å; D126-R154 IonicContact OD2-CZ 3.64Å; D126-R154 IonicContact OD2-NE 2.7Å; D126-R154 IonicContact OD2-NH1 3.71Å; D126-R154 PolarHBondContact OD2-NH1 2.9Å; D126-K156 VanDerWaalsContact OD1-CE 3.23Å; D126-K156 WeakPolarHBondContact OD1-CE 3.08Å; D126-K156 IonicContact OD1-NZ 3.68Å; D126-P176 HydrophobicContact CB-CB 4.27Å; D126-P176 HydrophobicContact CB-CG 4.49Å
127G85Confident93.3Very high75 Ų7562.4 Ų62.477%0.77334%0.337SS*.THydrogen-bonded Turntrans84.5-3.6-17000000116.1K125K125-G127 PolarHBondContact O-N 2.87Å
128T88.9Confident93.4Very high60 Ų6062.6 Ų62.637%0.36834%0.337SS..  trans-114.5172.1171.372.50000111.6C124 K125C124-T128 VanDerWaalsContact SG-C 3.57Å; C124-T128 PolarHBondContact SG-O 3.17Å; C124-T128 PolarHBondContact SG-OG1 2.78Å; C124-T128 VanDerWaalsContact SG-OG1 3.34Å; K125-T128 HydrophobicContact CB-CG2 4.42Å; K125-T128 PolarHBondContact O-N 3.39Å; K125-T128 PolarHBondContact O-OG1 3.32Å
129E89.9Confident93.4Very high180 Ų18064.9 Ų64.984%0.84135%0.348SS*.  trans-12213.4173.9-61.8-170.6163.900112.5W131E129-W131 PolarHBondContact O-N 2.9Å
130D92.8Very high93.3Very high90 Ų9071.7 Ų71.748%0.48138%0.378SS..  trans-87.283.4-177-174.421.6000110.6K132D130-K132 WeakPolarHBondContact OD2-CE 3.11Å; D130-K132 IonicContact OD2-NZ 3.09Å; D130-K132 PolarHBondContact OD2-NZ 2.86Å
131W94.1Very high93.1Very high66 Ų6673.7 Ų73.725%0.2539%0.392CS..  trans-75.7125.6177.9-68.892000111.4E122 C124 E129 K156 R158 T172E122-W131 HydrophobicContact CB-CE3 4.04Å; C124-W131 HydrophobicContact CB-CD2 3.49Å; C124-W131 VanDerWaalsContact CB-CD2 3.49Å; C124-W131 HydrophobicContact CB-CE3 3.52Å; C124-W131 HydrophobicContact CB-CG 3.99Å; C124-W131 HydrophobicContact CB-CH2 4.21Å; C124-W131 HydrophobicContact CB-CZ2 4.16Å; C124-W131 HydrophobicContact CB-CZ3 3.88Å; E129-W131 PolarHBondContact O-N 2.9Å; W131-K156 HydrophobicContact CH2-CB 3.57Å; W131-K156 HydrophobicContact CZ2-CB 4.14Å; W131-K156 HydrophobicContact CZ2-CD 4.5Å; W131-K156 HydrophobicContact CZ3-CB 4.16Å; W131-K156 WeakPolarHBondContact CZ3-O 3.32Å; W131-R158 HydrophobicContact CD2-CG 4.46Å; W131-R158 HydrophobicContact CE3-CG 3.73Å; W131-R158 HydrophobicContact CH2-CB 4.1Å; W131-R158 HydrophobicContact CH2-CG 4.01Å; W131-R158 HydrophobicContact CZ3-CB 3.89Å; W131-R158 HydrophobicContact CZ3-CG 3.49Å; W131-R158 VanDerWaalsContact CZ3-CG 3.49Å; W131-T172 HydrophobicContact CH2-CG2 4.02Å
132K94.3Very high93.1Very high121 Ų12175.3 Ų75.353%0.52640%0.404SS..EExtended strand (participates in β ladder)trans-122.8132.4179.8-68.1177.5178.5151.70111.2E122 V123 D130E122-K132 CarbonylContact C-O 3.54Å; E122-K132 VanDerWaalsContact CA-O 3.23Å; E122-K132 WeakPolarHBondContact CA-O 3.38Å; V123-K132 PolarHBondContact N-O 2.82Å; V123-K132 PolarHBondContact O-N 2.76Å; D130-K132 WeakPolarHBondContact OD2-CE 3.11Å; D130-K132 IonicContact OD2-NZ 3.09Å; D130-K132 PolarHBondContact OD2-NZ 2.86Å
133A94.8Very high93Very high59 Ų5980.7 Ų80.749%0.48842%0.423SS..EExtended strand (participates in β ladder)trans-65.8132.617000000109.8V120 I121 E122V120-A133 HydrophobicContact CG1-CB 3.82Å; I121-A133 CarbonylContact O-C 3.56Å; I121-A133 WeakPolarHBondContact O-CA 3.05Å; E122-A133 HydrophobicContact CG-CB 4.36Å
134V94.6Very high93.1Very high48 Ų4882.4 Ų82.429%0.29143%0.429SS..  trans-103.2-8-179.3-64.40000113.4I121 V123 Y144 I146I121-V134 HydrophobicContact CB-CG2 3.71Å; I121-V134 HydrophobicContact CG2-CG2 3.58Å; I121-V134 WeakPolarHBondContact O-CG2 3.12Å; I121-V134 PolarHBondContact O-N 2.88Å; V123-V134 HydrophobicContact CB-CG1 3.93Å; V123-V134 HydrophobicContact CG2-CG1 3.58Å; V123-V134 HydrophobicContact CG2-CG2 4.32Å; V134-Y144 HydrophobicContact CB-CE1 4.47Å; V134-Y144 HydrophobicContact CG2-CD1 4.28Å; V134-Y144 HydrophobicContact CG2-CE1 3.58Å; V134-Y144 PolarHBondContact O-OH 2.84Å; V134-I146 HydrophobicContact CG1-CG2 4.36Å; V134-I146 HydrophobicContact CG2-CG1 4.33Å
135N94.8Very high93.1Very high17 Ų1784.9 Ų84.99%0.09144%0.444CS..  trans-112.5135.5172.559.8-58.3000110Y119 I121 D137 Y144Y119-N135 PolarHBondContact O-ND2 2.94Å; I121-N135 HydrophobicContact CD1-CB 4.49Å; I121-N135 PolarHBondContact N-OD1 3.47Å; I121-N135 PolarHBondContact O-OD1 3.32Å; N135-D137 PolarHBondContact ND2-O 3.28Å; N135-Y144 HydrophobicContact CB-CE2 3.9Å; N135-Y144 WeakPolarHBondContact CB-OH 3.35Å
136E90.8Very high93.2Very high199 Ų19980.1 Ų80.193%0.9342%0.423SS*.SBendtrans-77.2-48.2175.9-65.9-178.5178.300110.9
137D95.8Very high93.3Very high138 Ų13884.1 Ų84.174%0.73844%0.438SS*.SBendtrans-96.7152.2174.9-64.9-50.6000112.1N135 Q139N135-D137 PolarHBondContact ND2-O 3.28Å; D137-Q139 PolarHBondContact O-N 2.83Å
138L94.8Very high93.3Very high59 Ų5987 Ų8731%0.30944%0.436SS..PPolyproline II helixtrans-58.9122.5175.7-67.5-179.6000111.1D117 V120 K140 V162D117-L138 HydrophobicContact CB-CD1 3.81Å; V120-L138 HydrophobicContact CG2-CD2 3.54Å; L138-K140 PolarHBondContact O-N 2.65Å; L138-V162 HydrophobicContact CD1-CB 4.15Å; L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CB 4Å; L138-V162 HydrophobicContact CD2-CG1 4.39Å; L138-V162 HydrophobicContact CD2-CG2 3.83Å
139Q96.5Very high93.2Very high49 Ų4985.7 Ų85.723%0.22943%0.425CS..BIsolated β-bridgetrans-71.6126.2177.6176.562.6-37.500109.7W105 G118 Y119 I121 D137 S141 R143 Y144W105-Q139 HydrophobicContact CH2-CG 4.15Å; W105-Q139 HydrophobicContact CZ2-CG 4.36Å; G118-Q139 CarbonylContact C-O 3.53Å; G118-Q139 VanDerWaalsContact CA-O 3.23Å; G118-Q139 WeakPolarHBondContact CA-O 3.37Å; Y119-Q139 VanDerWaalsContact CD2-O 3.25Å; Y119-Q139 WeakPolarHBondContact CD2-O 3.4Å; Y119-Q139 PolarHBondContact N-O 2.89Å; Y119-Q139 PolarHBondContact O-N 3.15Å; I121-Q139 HydrophobicContact CD1-CB 3.72Å; I121-Q139 HydrophobicContact CD1-CG 4.22Å; D137-Q139 PolarHBondContact O-N 2.83Å; Q139-S141 WeakPolarHBondContact CG-O 3.37Å; Q139-S141 PolarHBondContact NE2-OG 2.93Å; Q139-R143 PolarHBondContact NE2-O 3.31Å; Q139-Y144 HydrophobicContact CB-CD2 4.39Å; Q139-Y144 HydrophobicContact CG-CD2 4.04Å
140K93.9Very high92.9Very high144 Ų14481.4 Ų81.463%0.62641%0.412SS*.  trans-89-27.4-177.3-57-63-177.3171.60113.1D117 L138D117-K140 WeakPolarHBondContact O-CD 3.39Å; D117-K140 VanDerWaalsContact O-CE 3.31Å; D117-K140 WeakPolarHBondContact O-CE 3.33Å; D117-K140 PolarHBondContact O-NZ 2.85Å; L138-K140 PolarHBondContact O-N 2.65Å
141S94.8Very high92.3Very high60 Ų6080.3 Ų80.342%0.4241%0.409SS..SBendtrans-93.3156.5179.965.60000112.6W105 Q139 R143W105-S141 WeakPolarHBondContact CZ2-O 3.44Å; Q139-S141 WeakPolarHBondContact CG-O 3.37Å; Q139-S141 PolarHBondContact NE2-OG 2.93Å; S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact OG-O 3.02Å
142S95.6Very high91.5Very high34 Ų3479.6 Ų79.624%0.23842%0.421CS..SBendtrans-78.727.3178.2-90.60000114.4I104 W105I104-S142 WeakPolarHBondContact CA-O 3.47Å; W105-S142 PolarHBondContact N-O 2.86Å; W105-S142 VanDerWaalsContact N-O 3.13Å; W105-S142 WeakPolarHBondContact O-CB 3.18Å; W105-S142 PolarHBondContact O-OG 2.84Å
143R96.1Very high91.2Very high126 Ų12675.3 Ų75.348%0.47540%0.404SS..EExtended strand (participates in β ladder)trans-147.7137.7-176.5-178176.2-171.6-172.81.5109.8E94 T102 I103 I104 Q139 S141E94-R143 VanDerWaalsContact CD-NH2 3.31Å; E94-R143 IonicContact OE1-CZ 2.72Å; E94-R143 IonicContact OE1-NE 3.59Å; E94-R143 IonicContact OE1-NH2 2.61Å; E94-R143 PolarHBondContact OE1-NH2 2.85Å; E94-R143 IonicContact OE2-CZ 3.99Å; E94-R143 IonicContact OE2-NE 3.41Å; E94-R143 PolarHBondContact OE2-NE 2.82Å; E94-R143 IonicContact OE2-NH2 3.4Å; E94-R143 PolarHBondContact OE2-NH2 3Å; T102-R143 HydrophobicContact CG2-CG 4.24Å; I103-R143 WeakPolarHBondContact O-CA 3.48Å; I104-R143 HydrophobicContact CD1-CG 4.41Å; I104-R143 HydrophobicContact CG1-CB 4.15Å; I104-R143 HydrophobicContact CG1-CG 3.88Å; Q139-R143 PolarHBondContact NE2-O 3.31Å; S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact OG-O 3.02Å
144Y95.6Very high90.9Very high47 Ų4778.2 Ų78.218%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-146.5143.9176.7-167.3-100.5000112.7T102 I103 I121 V134 N135 Q139 I146T102-Y144 WeakPolarHBondContact CA-O 3.42Å; I103-Y144 PolarHBondContact N-O 2.07Å; I103-Y144 PolarHBondContact O-N 2.76Å; I121-Y144 HydrophobicContact CB-CD1 4.18Å; I121-Y144 HydrophobicContact CB-CE1 4.5Å; I121-Y144 HydrophobicContact CD1-CD1 4.17Å; I121-Y144 HydrophobicContact CD1-CD2 3.86Å; I121-Y144 HydrophobicContact CD1-CE2 4.36Å; I121-Y144 HydrophobicContact CD1-CG 3.76Å; I121-Y144 HydrophobicContact CG1-CD1 3.96Å; I121-Y144 HydrophobicContact CG1-CD2 4.49Å; I121-Y144 HydrophobicContact CG1-CG 3.88Å; I121-Y144 HydrophobicContact CG2-CD1 4.14Å; V134-Y144 HydrophobicContact CB-CE1 4.47Å; V134-Y144 HydrophobicContact CG2-CD1 4.28Å; V134-Y144 HydrophobicContact CG2-CE1 3.58Å; V134-Y144 PolarHBondContact O-OH 2.84Å; N135-Y144 HydrophobicContact CB-CE2 3.9Å; N135-Y144 WeakPolarHBondContact CB-OH 3.35Å; Q139-Y144 HydrophobicContact CB-CD2 4.39Å; Q139-Y144 HydrophobicContact CG-CD2 4.04Å; Y144-I146 HydrophobicContact CD1-CG1 3.85Å; Y144-I146 HydrophobicContact CE1-CG1 4.21Å
145V94.1Very high90.8Very high55 Ų5576.1 Ų76.133%0.33339%0.39SS..EExtended strand (participates in β ladder)trans-107.1105.6176.2-174.90000108.8T102 K147T102-V145 HydrophobicContact CG2-CG2 4.05Å; V145-K147 HydrophobicContact CG1-CG 3.99Å; V145-K147 PolarHBondContact O-N 3.05Å
146I92.9Very high90.8Very high0 Ų078.6 Ų78.60%040%0.4CS..EExtended strand (participates in β ladder)trans-77.7106.7176.7-56.2168.7000107.7S100 V101 I103 I121 V123 V134 Y144 Q149 I157S100-I146 CarbonylContact C-O 3.57Å; S100-I146 WeakPolarHBondContact CA-O 3.42Å; S100-I146 WeakPolarHBondContact CB-O 3.47Å; V101-I146 PolarHBondContact N-O 3.38Å; V101-I146 WeakPolarHBondContact O-CB 2.95Å; V101-I146 PolarHBondContact O-N 3.45Å; I103-I146 HydrophobicContact CD1-CD1 4.24Å; I103-I146 HydrophobicContact CG1-CD1 4.42Å; I103-I146 HydrophobicContact CG2-CD1 4.44Å; I121-I146 HydrophobicContact CG2-CD1 4.12Å; I121-I146 HydrophobicContact CG2-CG1 4.16Å; V123-I146 HydrophobicContact CG2-CD1 3.87Å; V123-I146 HydrophobicContact CG2-CG1 4.45Å; V123-I146 HydrophobicContact CG2-CG2 3.86Å; V134-I146 HydrophobicContact CG1-CG2 4.36Å; V134-I146 HydrophobicContact CG2-CG1 4.33Å; Y144-I146 HydrophobicContact CD1-CG1 3.85Å; Y144-I146 HydrophobicContact CE1-CG1 4.21Å; I146-Q149 HydrophobicContact CG2-CG 3.96Å; I146-I157 HydrophobicContact CD1-CD1 3.68Å; I146-I157 HydrophobicContact CD1-CG1 4.02Å; I146-I157 HydrophobicContact CD1-CG2 3.8Å
147K89.2Confident91Very high139 Ų13969.1 Ų69.160%0.60436%0.355SS*.  trans-96.8174.9-177.8-62.5179.5-177.7176.30112.6N99 V145 Q149N99-K147 CarbonylContact O-C 3.56Å; V145-K147 HydrophobicContact CG1-CG 3.99Å; V145-K147 PolarHBondContact O-N 3.05Å; K147-Q149 VanDerWaalsContact C-N 3.34Å; K147-Q149 PolarHBondContact O-N 2.97Å; K147-Q149 PolarHBondContact O-NE2 2.93Å
148N85.4Confident91.1Very high137 Ų13765.2 Ų65.273%0.73333%0.33SS*.SBendtrans61.437.5172.7-57.4-29.5000113.7N99N99-N148 PolarHBondContact O-N 3.39Å; N99-N148 WeakPolarHBondContact OD1-CA 3.14Å; N99-N148 PolarHBondContact OD1-N 3.47Å
149Q87.6Confident91.2Very high31 Ų3162.4 Ų62.415%0.14532%0.316CS..PPolyproline II helixtrans-93.1142.5176.8-56.7-53.5-53.600111.6N99 I146 K147 T151 L155 V179N99-Q149 WeakPolarHBondContact CA-O 3.41Å; N99-Q149 PolarHBondContact O-N 3.25Å; N99-Q149 PolarHBondContact OD1-N 3.04Å; N99-Q149 PolarHBondContact OD1-O 2.91Å; I146-Q149 HydrophobicContact CG2-CG 3.96Å; K147-Q149 VanDerWaalsContact C-N 3.34Å; K147-Q149 PolarHBondContact O-N 2.97Å; K147-Q149 PolarHBondContact O-NE2 2.93Å; Q149-T151 PolarHBondContact O-N 2.79Å; Q149-L155 HydrophobicContact CB-CD1 4.05Å; Q149-L155 HydrophobicContact CG-CD1 3.67Å; Q149-V179 HydrophobicContact CB-CG1 4.2Å; Q149-V179 HydrophobicContact CB-CG2 3.9Å
150T82.6Confident91.3Very high91 Ų9160.3 Ų60.356%0.55831%0.306SS*.PPolyproline II helixtrans-77.9126.1178.7-510000110.2G152 D153T150-G152 PolarHBondContact O-N 2.94Å; T150-D153 WeakPolarHBondContact O-CB 3.26Å; T150-D153 PolarHBondContact O-N 2.77Å; T150-D153 VanDerWaalsContact O-N 3.07Å
151T80.6Confident91.4Very high67 Ų6753.4 Ų53.441%0.41128%0.276SS..THydrogen-bonded Turntrans-54.6130.2173.1-47.10000111D98 Q149 E181D98-T151 PolarHBondContact O-OG1 3.23Å; Q149-T151 PolarHBondContact O-N 2.79Å; T151-E181 HydrophobicContact CG2-CB 3.85Å; T151-E181 HydrophobicContact CG2-CG 4.48Å
152G78Confident91.4Very high50 Ų5051.6 Ų51.652%0.51526%0.262SS..THydrogen-bonded Turntrans94.5-12.6-176.900000114.7T150 L178 V179T150-G152 PolarHBondContact O-N 2.94Å; G152-L178 WeakPolarHBondContact O-CD1 3.3Å; G152-V179 PolarHBondContact N-O 3.28Å
153D85.9Confident91.2Very high32 Ų3250.2 Ų50.217%0.17125%0.252CS..  trans-72.1145.2174.5-80.3-7.9000111.5K125 T150 L155 L178 V179K125-D153 WeakPolarHBondContact CE-OD1 3.48Å; K125-D153 IonicContact NZ-OD1 2.77Å; K125-D153 PolarHBondContact NZ-OD1 3.11Å; K125-D153 IonicContact NZ-OD2 3.56Å; K125-D153 PolarHBondContact NZ-OD2 2.72Å; T150-D153 WeakPolarHBondContact O-CB 3.26Å; T150-D153 PolarHBondContact O-N 2.77Å; T150-D153 VanDerWaalsContact O-N 3.07Å; D153-L155 HydrophobicContact CB-CD2 4.25Å; D153-L178 WeakPolarHBondContact O-CA 3.26Å; D153-V179 PolarHBondContact O-N 3.37Å
154R90.2Very high90.9Very high120 Ų12049.5 Ų49.545%0.45325%0.254SS..EExtended strand (participates in β ladder)trans-101.6124.7169.3-65.8-178.175.3-1695.6108.5D126 P176 V177 L178D126-R154 HydrophobicContact CB-CB 3.58Å; D126-R154 VanDerWaalsContact CB-O 3.28Å; D126-R154 WeakPolarHBondContact CB-O 3.19Å; D126-R154 PolarHBondContact N-O 2.91Å; D126-R154 IonicContact OD2-CZ 3.64Å; D126-R154 IonicContact OD2-NE 2.7Å; D126-R154 IonicContact OD2-NH1 3.71Å; D126-R154 PolarHBondContact OD2-NH1 2.9Å; R154-P176 HydrophobicContact CB-CB 4.2Å; R154-V177 CarbonylContact C-O 3.53Å; R154-V177 WeakPolarHBondContact CA-O 3.47Å; R154-L178 HydrophobicContact CG-CB 4.43Å; R154-L178 HydrophobicContact CG-CD1 3.81Å
155L91.8Very high90.5Very high4 Ų448.4 Ų48.42%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-117.2126-172-58.6176.7000110.7V123 Q149 D153 I157 P176 V177 V179V123-L155 HydrophobicContact CG1-CB 4.05Å; V123-L155 HydrophobicContact CG1-CD1 4.19Å; V123-L155 HydrophobicContact CG1-CD2 3.86Å; V123-L155 HydrophobicContact CG1-CG 4.25Å; Q149-L155 HydrophobicContact CB-CD1 4.05Å; Q149-L155 HydrophobicContact CG-CD1 3.67Å; D153-L155 HydrophobicContact CB-CD2 4.25Å; L155-I157 HydrophobicContact CB-CG1 4.36Å; L155-P176 CarbonylContact O-C 3.48Å; L155-P176 VanDerWaalsContact O-CA 3.28Å; L155-P176 WeakPolarHBondContact O-CA 3.2Å; L155-V177 PolarHBondContact N-O 2.99Å; L155-V177 PolarHBondContact O-N 2.95Å; L155-V179 HydrophobicContact CD1-CG2 3.53Å; L155-V179 HydrophobicContact CG-CG2 4.05Å
156K94.7Very high90.3Very high69 Ų6947.1 Ų47.130%0.326%0.256SS..EExtended strand (participates in β ladder)trans-82.2131.7162.5-62.9176.5-176.6171.80107.8V123 C124 D126 W131 P176V123-K156 WeakPolarHBondContact CA-O 3.29Å; C124-K156 HydrophobicContact CB-CB 4.27Å; C124-K156 PolarHBondContact N-O 3.27Å; C124-K156 PolarHBondContact O-N 3.25Å; D126-K156 VanDerWaalsContact OD1-CE 3.23Å; D126-K156 WeakPolarHBondContact OD1-CE 3.08Å; D126-K156 IonicContact OD1-NZ 3.68Å; W131-K156 HydrophobicContact CH2-CB 3.57Å; W131-K156 HydrophobicContact CZ2-CB 4.14Å; W131-K156 HydrophobicContact CZ2-CD 4.5Å; W131-K156 HydrophobicContact CZ3-CB 4.16Å; W131-K156 WeakPolarHBondContact CZ3-O 3.32Å; K156-P176 HydrophobicContact CG-CB 4.35Å; K156-P176 HydrophobicContact CG-CG 4.09Å
157I96.1Very high90.4Very high0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-127.1133.9-175.8-57.5167.7000108.4V101 I103 I121 V123 I146 L155 T172 L173 V177V101-I157 HydrophobicContact CB-CD1 4.42Å; V101-I157 HydrophobicContact CG1-CD1 3.9Å; I103-I157 HydrophobicContact CD1-CG2 3.9Å; I103-I157 HydrophobicContact CG2-CD1 4.21Å; I103-I157 HydrophobicContact CG2-CG2 4.32Å; I121-I157 HydrophobicContact CG2-CG2 4.48Å; V123-I157 HydrophobicContact CG2-CG1 4.39Å; I146-I157 HydrophobicContact CD1-CD1 3.68Å; I146-I157 HydrophobicContact CD1-CG1 4.02Å; I146-I157 HydrophobicContact CD1-CG2 3.8Å; L155-I157 HydrophobicContact CB-CG1 4.36Å; I157-T172 WeakPolarHBondContact O-CA 3.34Å; I157-L173 HydrophobicContact CB-CD1 3.88Å; I157-L173 HydrophobicContact CB-CG 4.37Å; I157-L173 HydrophobicContact CD1-CD1 3.95Å; I157-L173 HydrophobicContact CG1-CD1 4.33Å; I157-L173 PolarHBondContact O-N 2.83Å; I157-V177 HydrophobicContact CD1-CB 4.29Å; I157-V177 HydrophobicContact CD1-CG2 3.85Å
158R96.9Very high90.6Very high56 Ų5647.2 Ų47.221%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-138154.1173.374.9-172-171.9-175.5-2111.9E122 W131 P170 V171 T172E122-R158 HydrophobicContact CB-CG 3.93Å; E122-R158 PolarHBondContact N-O 3.4Å; E122-R158 PolarHBondContact O-N 3.02Å; E122-R158 IonicContact OE2-CZ 3.96Å; E122-R158 IonicContact OE2-NE 2.67Å; E122-R158 PolarHBondContact OE2-NE 3.07Å; E122-R158 IonicContact OE2-NH2 3.28Å; E122-R158 PolarHBondContact OE2-NH2 3.37Å; W131-R158 HydrophobicContact CD2-CG 4.46Å; W131-R158 HydrophobicContact CE3-CG 3.73Å; W131-R158 HydrophobicContact CH2-CB 4.1Å; W131-R158 HydrophobicContact CH2-CG 4.01Å; W131-R158 HydrophobicContact CZ3-CB 3.89Å; W131-R158 HydrophobicContact CZ3-CG 3.49Å; W131-R158 VanDerWaalsContact CZ3-CG 3.49Å; R158-P170 HydrophobicContact CB-CB 4.09Å; R158-P170 HydrophobicContact CG-CB 4Å; R158-V171 CarbonylContact C-O 3.45Å; R158-V171 WeakPolarHBondContact CA-O 3.33Å; R158-V171 VanDerWaalsContact CB-O 3.25Å; R158-V171 WeakPolarHBondContact CB-O 3.45Å; R158-T172 HydrophobicContact CB-CG2 4.16Å; R158-T172 WeakPolarHBondContact CB-OG1 3.43Å
159V97.6Very high91.1Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-122.4134.9178.6-176.10000109.2P88 L91 I103 W105 Y119 I121 P170 V171P88-V159 HydrophobicContact CG-CB 4.43Å; P88-V159 HydrophobicContact CG-CG1 4.03Å; L91-V159 HydrophobicContact CD1-CG2 3.7Å; L91-V159 HydrophobicContact CD2-CG2 4.03Å; I103-V159 HydrophobicContact CD1-CG2 3.8Å; W105-V159 HydrophobicContact CD2-CG1 3.98Å; W105-V159 HydrophobicContact CD2-CG2 4.21Å; W105-V159 HydrophobicContact CE3-CG1 4.47Å; W105-V159 HydrophobicContact CE3-CG2 4.01Å; W105-V159 HydrophobicContact CG-CG1 4.31Å; W105-V159 HydrophobicContact CZ2-CG1 4.12Å; W105-V159 HydrophobicContact CZ3-CG2 4.36Å; Y119-V159 HydrophobicContact CD1-CG1 3.94Å; Y119-V159 HydrophobicContact CG-CG1 4.26Å; I121-V159 HydrophobicContact CG1-CG2 4.45Å; V159-P170 WeakPolarHBondContact O-CA 3.23Å; V159-V171 HydrophobicContact CB-CG1 3.99Å; V159-V171 PolarHBondContact N-O 3.15Å; V159-V171 PolarHBondContact O-N 3.47Å
160V97.1Very high91.5Very high4 Ų445.9 Ų45.92%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-121126.7180176.70000108.4Y119 V120 R167 S168 P170Y119-V160 CarbonylContact C-O 3.58Å; Y119-V160 VanDerWaalsContact CA-O 3.27Å; Y119-V160 WeakPolarHBondContact CA-O 3.46Å; V120-V160 HydrophobicContact CB-CB 4.42Å; V120-V160 PolarHBondContact N-O 3.1Å; V120-V160 PolarHBondContact O-N 2.88Å; V160-R167 HydrophobicContact CG1-CB 3.85Å; V160-R167 HydrophobicContact CG1-CG 4.4Å; V160-S168 WeakPolarHBondContact CG1-O 3.45Å; V160-P170 HydrophobicContact CG2-CB 3.73Å
161A95.9Very high92.2Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-82.4148.1171.900000110.4T85 P88 P108 L116 Y119 S168T85-A161 WeakPolarHBondContact OG1-CB 3.45Å; P88-A161 HydrophobicContact CG-CB 4.07Å; P108-A161 HydrophobicContact CG-CB 3.59Å; L116-A161 HydrophobicContact CD1-CB 3.94Å; Y119-A161 HydrophobicContact CD1-CB 3.99Å; Y119-A161 HydrophobicContact CE1-CB 3.95Å; A161-S168 PolarHBondContact N-OG 2.7Å; A161-S168 PolarHBondContact O-N 3.1Å; A161-S168 PolarHBondContact O-OG 3.23Å
162V95.3Very high92.9Very high22 Ų2242.9 Ų42.913%0.13324%0.237CC..EExtended strand (participates in β ladder)trans-132133.4-178.6-174.10000109.2D117 G118 V120 L138 G166 R167D117-V162 WeakPolarHBondContact CA-O 3.37Å; D117-V162 WeakPolarHBondContact CB-O 3.46Å; D117-V162 PolarHBondContact N-O 3.23Å; G118-V162 PolarHBondContact N-O 3.16Å; G118-V162 VanDerWaalsContact N-O 3.16Å; G118-V162 PolarHBondContact O-N 3.47Å; V120-V162 HydrophobicContact CG2-CG2 3.82Å; L138-V162 HydrophobicContact CD1-CB 4.15Å; L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CB 4Å; L138-V162 HydrophobicContact CD2-CG1 4.39Å; L138-V162 HydrophobicContact CD2-CG2 3.83Å; V162-G166 WeakPolarHBondContact CA-O 3.4Å; V162-R167 HydrophobicContact CG2-CG 4.2Å
163N92.8Very high93.7Very high5 Ų541.4 Ų41.43%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-134.5-174.9166.670.5-0.9000109.9E83 P84 T85 I111 S114 G115 D117 G165 G166E83-N163 PolarHBondContact O-ND2 3.11Å; P84-N163 WeakPolarHBondContact CA-OD1 3.41Å; T85-N163 HydrophobicContact CG2-CB 3.79Å; T85-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T85-N163 PolarHBondContact N-ND2 3.42Å; I111-N163 PolarHBondContact O-ND2 2.63Å; S114-N163 PolarHBondContact OG-ND2 2.74Å; G115-N163 WeakPolarHBondContact O-CB 3.17Å; D117-N163 VanDerWaalsContact OD2-CA 3.23Å; D117-N163 WeakPolarHBondContact OD2-CA 3.4Å; N163-G165 PolarHBondContact O-N 2.97Å; N163-G165 VanDerWaalsContact O-N 3.15Å; N163-G165 VanDerWaalsContact OD1-CA 3.26Å; N163-G165 WeakPolarHBondContact OD1-CA 3.32Å; N163-G165 PolarHBondContact OD1-N 3.35Å; N163-G166 PolarHBondContact N-O 3.48Å; N163-G166 VanDerWaalsContact N-O 3.1Å; N163-G166 WeakPolarHBondContact O-CA 3.42Å; N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 PolarHBondContact OD1-N 2.77Å; N163-G166 VanDerWaalsContact OD1-N 3.13Å; N163-G166 PolarHBondContact OD1-O 2.98Å
164E89.4Confident93.9Very high110 Ų11045.9 Ų45.951%0.51425%0.248SC..THydrogen-bonded Turntrans-60.8-21.8176.2-61.3-179.5108.100113.9K82 S114 D117 G166K82-E164 HydrophobicContact CD-CB 3.6Å; K82-E164 HydrophobicContact CD-CG 4.44Å; K82-E164 VanDerWaalsContact CD-OE2 3.31Å; K82-E164 WeakPolarHBondContact CD-OE2 3.29Å; K82-E164 WeakPolarHBondContact CE-OE2 3.13Å; K82-E164 IonicContact NZ-OE1 2.69Å; K82-E164 PolarHBondContact NZ-OE1 3.14Å; K82-E164 IonicContact NZ-OE2 2.58Å; K82-E164 PolarHBondContact NZ-OE2 3.26Å; S114-E164 VanDerWaalsContact CB-OE2 3.25Å; S114-E164 WeakPolarHBondContact CB-OE2 3.47Å; D117-E164 PolarHBondContact OD2-N 2.63Å; D117-E164 VanDerWaalsContact OD2-N 3.08Å; E164-G166 VanDerWaalsContact C-N 3.31Å
165G86.1Confident94Very high25 Ų2547.3 Ų47.326%0.25826%0.259SS..THydrogen-bonded Turntrans-80.1-8.6172.900000114.2K82 N163K82-G165 WeakPolarHBondContact O-CA 3.31Å; N163-G165 PolarHBondContact O-N 2.97Å; N163-G165 VanDerWaalsContact O-N 3.15Å; N163-G165 VanDerWaalsContact OD1-CA 3.26Å; N163-G165 WeakPolarHBondContact OD1-CA 3.32Å; N163-G165 PolarHBondContact OD1-N 3.35Å
166G89.4Confident93.9Very high28 Ų2848.7 Ų48.729%0.28927%0.269SS..EExtended strand (participates in β ladder)trans114.4-153.4174.100000113.6V162 N163 E164V162-G166 WeakPolarHBondContact CA-O 3.4Å; N163-G166 PolarHBondContact N-O 3.48Å; N163-G166 VanDerWaalsContact N-O 3.1Å; N163-G166 WeakPolarHBondContact O-CA 3.42Å; N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 PolarHBondContact OD1-N 2.77Å; N163-G166 VanDerWaalsContact OD1-N 3.13Å; N163-G166 PolarHBondContact OD1-O 2.98Å; E164-G166 VanDerWaalsContact C-N 3.31Å
167R94.9Very high93.7Very high132 Ų13246 Ų4650%0.49826%0.258SS..EExtended strand (participates in β ladder)trans-91.2134.6-174-61.2-177.972173.90.2110.8E122 V160 V162E122-R167 VanDerWaalsContact CD-NH2 3.34Å; E122-R167 IonicContact OE1-CZ 3.4Å; E122-R167 IonicContact OE1-NH1 2.83Å; E122-R167 IonicContact OE1-NH2 2.8Å; E122-R167 PolarHBondContact OE1-NH2 3.42Å; E122-R167 IonicContact OE2-NH2 3.34Å; V160-R167 HydrophobicContact CG1-CB 3.85Å; V160-R167 HydrophobicContact CG1-CG 4.4Å; V162-R167 HydrophobicContact CG2-CG 4.2Å
168S94.6Very high93.3Very high9 Ų949.3 Ų49.36%0.06328%0.275CS..PPolyproline II helixtrans-70.4166.7171.278.20000111.9T85 S86 V160 A161T85-S168 WeakPolarHBondContact O-CB 3.18Å; T85-S168 WeakPolarHBondContact OG1-CB 3.38Å; S86-S168 VanDerWaalsContact O-CB 3.23Å; S86-S168 WeakPolarHBondContact O-CB 3.22Å; V160-S168 WeakPolarHBondContact CG1-O 3.45Å; A161-S168 PolarHBondContact N-OG 2.7Å; A161-S168 PolarHBondContact O-N 3.1Å; A161-S168 PolarHBondContact O-OG 3.23Å
169P95.3Very high92.6Very high82 Ų8246.7 Ų46.753%0.53227%0.265SS..PPolyproline II helixtrans-55.6146.5156-21.733.8000110.9A87A87-P169 WeakPolarHBondContact CA-O 3.46Å; A87-P169 HydrophobicContact CB-CB 4.43Å; A87-P169 WeakPolarHBondContact CB-O 3.3Å
170P96.2Very high91.3Very high58 Ų5851.6 Ų51.638%0.37729%0.287SS..PPolyproline II helixtrans-78.2146.1179.129.1-32.8000112.5R158 V159 V160R158-P170 HydrophobicContact CB-CB 4.09Å; R158-P170 HydrophobicContact CG-CB 4Å; V159-P170 WeakPolarHBondContact O-CA 3.23Å; V160-P170 HydrophobicContact CG2-CB 3.73Å
171V96.8Very high89.9Confident29 Ų2955.4 Ų55.418%0.17630%0.304CS..EExtended strand (participates in β ladder)trans-94.7127.9158.761.90000109.2P88 L91 R158 V159P88-V171 HydrophobicContact CB-CG1 3.76Å; P88-V171 HydrophobicContact CG-CG1 3.89Å; P88-V171 WeakPolarHBondContact O-CB 3.24Å; P88-V171 WeakPolarHBondContact O-CG1 3.33Å; L91-V171 HydrophobicContact CB-CG1 4.01Å; L91-V171 HydrophobicContact CB-CG2 3.88Å; L91-V171 HydrophobicContact CD2-CG1 4.13Å; L91-V171 WeakPolarHBondContact CD2-O 3.27Å; R158-V171 CarbonylContact C-O 3.45Å; R158-V171 WeakPolarHBondContact CA-O 3.33Å; R158-V171 VanDerWaalsContact CB-O 3.25Å; R158-V171 WeakPolarHBondContact CB-O 3.45Å; V159-V171 HydrophobicContact CB-CG1 3.99Å; V159-V171 PolarHBondContact N-O 3.15Å; V159-V171 PolarHBondContact O-N 3.47Å
172T95.7Very high88.8Confident66 Ų6658 Ų5841%0.40532%0.32SS..EExtended strand (participates in β ladder)trans-117.2140.2-174.9-52.80000109.8W131 I157 R158W131-T172 HydrophobicContact CH2-CG2 4.02Å; I157-T172 WeakPolarHBondContact O-CA 3.34Å; R158-T172 HydrophobicContact CB-CG2 4.16Å; R158-T172 WeakPolarHBondContact CB-OG1 3.43Å
173L94.8Very high87.9Confident18 Ų1857.9 Ų57.99%0.09432%0.321CS..  trans-58.6140.3171.3-74.6178.2000110.5L91 V93 I157 E175 V177L91-L173 HydrophobicContact CD2-CD2 4.17Å; L91-L173 HydrophobicContact CD2-CG 3.97Å; L91-L173 HydrophobicContact CG-CD2 3.76Å; L91-L173 HydrophobicContact CG-CG 4.09Å; L91-L173 WeakPolarHBondContact O-CD2 3.28Å; V93-L173 HydrophobicContact CG2-CD1 3.61Å; V93-L173 HydrophobicContact CG2-CD2 4.44Å; I157-L173 HydrophobicContact CB-CD1 3.88Å; I157-L173 HydrophobicContact CB-CG 4.37Å; I157-L173 HydrophobicContact CD1-CD1 3.95Å; I157-L173 HydrophobicContact CG1-CD1 4.33Å; I157-L173 PolarHBondContact O-N 2.83Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.02Å; L173-V177 HydrophobicContact CD1-CG2 3.5Å
174P90.8Very high87.4Confident127 Ų12761.5 Ų61.583%0.82534%0.341SS*.SBendtrans-66.4-30.6-177.225.9-34.1000112.8
175E91.3Very high87.3Confident149 Ų14963.7 Ų63.770%0.69634%0.344SS*.SBendtrans-128.1144.6179-65.1-166.9170.500112.1L173L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.02Å
176P91.3Very high87.7Confident34 Ų3462.7 Ų62.722%0.22133%0.333CS..PPolyproline II helixtrans-61.8135172.6-20.831.2000112.6D126 R154 L155 K156D126-P176 HydrophobicContact CB-CB 4.27Å; D126-P176 HydrophobicContact CB-CG 4.49Å; R154-P176 HydrophobicContact CB-CB 4.2Å; L155-P176 CarbonylContact O-C 3.48Å; L155-P176 VanDerWaalsContact O-CA 3.28Å; L155-P176 WeakPolarHBondContact O-CA 3.2Å; K156-P176 HydrophobicContact CG-CB 4.35Å; K156-P176 HydrophobicContact CG-CG 4.09Å
177V89.9Confident88.1Confident13 Ų1367.5 Ų67.58%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-84.8121-179.5-174.70000110.2V93 K96 V101 R154 L155 I157 L173V93-V177 HydrophobicContact CG2-CG1 4.47Å; V93-V177 HydrophobicContact CG2-CG2 3.58Å; K96-V177 HydrophobicContact CD-CG1 4.35Å; V101-V177 HydrophobicContact CG1-CG1 4.04Å; V101-V177 HydrophobicContact CG2-CG1 4.04Å; R154-V177 CarbonylContact C-O 3.53Å; R154-V177 WeakPolarHBondContact CA-O 3.47Å; L155-V177 PolarHBondContact N-O 2.99Å; L155-V177 PolarHBondContact O-N 2.95Å; I157-V177 HydrophobicContact CD1-CB 4.29Å; I157-V177 HydrophobicContact CD1-CG2 3.85Å; L173-V177 HydrophobicContact CD1-CG2 3.5Å
178L87.4Confident88.2Confident69 Ų6962 Ų6236%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-79119.5170-179.268.5000110.1G152 D153 R154 K180G152-L178 WeakPolarHBondContact O-CD1 3.3Å; D153-L178 WeakPolarHBondContact O-CA 3.26Å; R154-L178 HydrophobicContact CG-CB 4.43Å; R154-L178 HydrophobicContact CG-CD1 3.81Å; L178-K180 HydrophobicContact CD2-CG 4.07Å; L178-K180 HydrophobicContact CG-CG 4.16Å; L178-K180 PolarHBondContact O-N 2.68Å
179V81.8Confident88.2Confident0 Ų069 Ų690%035%0.351CS..  trans-73.4112.5171.4-174.20000107.8N97 D98 V101 Q149 G152 D153 L155N97-V179 WeakPolarHBondContact O-CG1 3.47Å; D98-V179 VanDerWaalsContact O-CG1 3.3Å; D98-V179 WeakPolarHBondContact O-CG1 3.44Å; V101-V179 HydrophobicContact CG2-CG2 4.26Å; Q149-V179 HydrophobicContact CB-CG1 4.2Å; Q149-V179 HydrophobicContact CB-CG2 3.9Å; G152-V179 PolarHBondContact N-O 3.28Å; D153-V179 PolarHBondContact O-N 3.37Å; L155-V179 HydrophobicContact CD1-CG2 3.53Å; L155-V179 HydrophobicContact CG-CG2 4.05Å
180K71.6Confident88.3Confident104 Ų10466.1 Ų66.145%0.45233%0.331SS..  trans-105.7145-176.4-71.6-171.2174.3-169.70110.4N97 D98 L178N97-K180 CarbonylContact C-O 3.55Å; N97-K180 VanDerWaalsContact O-O 3.05Å; D98-K180 WeakPolarHBondContact CA-O 3.36Å; D98-K180 PolarHBondContact N-O 2.8Å; D98-K180 VanDerWaalsContact N-O 3.08Å; L178-K180 HydrophobicContact CD2-CG 4.07Å; L178-K180 HydrophobicContact CG-CG 4.16Å; L178-K180 PolarHBondContact O-N 2.68Å
181E67.5Low88.2Confident83 Ų8364.6 Ų64.639%0.38832%0.321SS..  trans-55.3142.8175.8-160.4175.1-179.400110.4D98 T151 A183 K215D98-E181 HydrophobicContact CB-CG 4.49Å; T151-E181 HydrophobicContact CG2-CB 3.85Å; T151-E181 HydrophobicContact CG2-CG 4.48Å; E181-A183 PolarHBondContact O-N 2.8Å; E181-K215 WeakPolarHBondContact OE1-CD 3.28Å; E181-K215 IonicContact OE1-NZ 2.78Å; E181-K215 PolarHBondContact OE1-NZ 2.94Å
182V71.7Confident88Confident55 Ų5573.2 Ų73.233%0.33335%0.35SS..  trans-65.2128.2175.8174.60000107.8N97 D98 D184N97-V182 HydrophobicContact CB-CG2 3.46Å; N97-V182 VanDerWaalsContact CB-CG2 3.46Å; D98-V182 HydrophobicContact CB-CB 4.4Å; D98-V182 HydrophobicContact CB-CG2 3.85Å; D98-V182 VanDerWaalsContact CG-CG2 3.47Å; D98-V182 VanDerWaalsContact N-CG2 3.35Å; D98-V182 WeakPolarHBondContact OD1-CG2 3.36Å; V182-D184 PolarHBondContact O-N 3.26Å; V182-D184 VanDerWaalsContact O-N 3.1Å
183A76.3Confident87.8Confident19 Ų1976 Ų7616%0.15736%0.357CS..  trans-67.8107.7169.600000109.7E181 K215 V264 E265 F267E181-A183 PolarHBondContact O-N 2.8Å; A183-K215 CarbonylContact C-O 3.47Å; A183-K215 WeakPolarHBondContact CA-O 3.42Å; A183-V264 HydrophobicContact CB-CG1 4.16Å; A183-E265 HydrophobicContact CB-CB 4.03Å; A183-E265 HydrophobicContact CB-CG 4.48Å; A183-F267 HydrophobicContact CB-CD2 4.26Å; A183-F267 HydrophobicContact CB-CE2 3.93Å
184D83.4Confident87.7Confident81 Ų8175.1 Ų75.143%0.43335%0.353SS..EExtended strand (participates in β ladder)trans-73.7129.8167.9-76.1-31000109.1V182 K215V182-D184 PolarHBondContact O-N 3.26Å; V182-D184 VanDerWaalsContact O-N 3.1Å; D184-K215 HydrophobicContact CB-CB 4.06Å; D184-K215 PolarHBondContact N-O 2.93Å
185R86.7Confident87.8Confident157 Ų15777.2 Ų77.259%0.59234%0.344SS*.EExtended strand (participates in β ladder)trans-53.6126.7174.5179.5177.6-85.2-91.84.7109.7F267R185-F267 HydrophobicContact CB-CD1 4.45Å; R185-F267 HydrophobicContact CB-CG 4.36Å; R185-F267 HydrophobicContact CG-CB 4.36Å; R185-F267 HydrophobicContact CG-CD1 4.41Å; R185-F267 HydrophobicContact CG-CG 4.43Å
186P95.4Very high87.8Confident3 Ų377.7 Ų77.72%0.01935%0.346CS..EExtended strand (participates in β ladder)trans-65.1143.8178.427.4-30.8000109.3T213 P218 L262 V264 F267 D269P186-T213 CarbonylContact C-O 3.6Å; P186-T213 VanDerWaalsContact CA-O 3.22Å; P186-T213 WeakPolarHBondContact CA-O 3.46Å; P186-P218 HydrophobicContact CB-CB 4.41Å; P186-P218 HydrophobicContact CB-CG 4.19Å; P186-L262 HydrophobicContact CB-CB 3.74Å; P186-L262 HydrophobicContact CB-CD1 4.02Å; P186-L262 HydrophobicContact CG-CB 4.23Å; P186-V264 HydrophobicContact CB-CG2 3.81Å; P186-V264 HydrophobicContact CG-CB 4.22Å; P186-V264 HydrophobicContact CG-CG2 3.93Å; P186-F267 HydrophobicContact CG-CB 4.14Å; P186-D269 HydrophobicContact CG-CB 4.41Å; P186-D269 WeakPolarHBondContact O-CB 3.32Å
187K95.8Very high87.9Confident129 Ų12982.9 Ų82.956%0.56136%0.361SS*.EExtended strand (participates in β ladder)trans-139.4118.7178.9-172.9172-175.3168.40110.9F212 T213 D269K187-F212 CarbonylContact O-C 3.5Å; K187-F212 VanDerWaalsContact O-CA 3.22Å; K187-F212 WeakPolarHBondContact O-CA 3.25Å; K187-T213 PolarHBondContact N-O 2.79Å; K187-T213 PolarHBondContact O-N 3.46Å; K187-D269 WeakPolarHBondContact CA-OD2 3.36Å
188I97.4Very high88.2Confident18 Ų1885.1 Ų85.19%0.09237%0.369CS..EExtended strand (participates in β ladder)trans-79.6126.9173.9-59.1172.3000109I210 M260 L262 D269 V271I188-I210 HydrophobicContact CG2-CG2 3.63Å; I188-M260 HydrophobicContact CB-CE 4.12Å; I188-M260 HydrophobicContact CD1-CE 3.65Å; I188-M260 HydrophobicContact CG1-CE 3.63Å; I188-M260 HydrophobicContact CG2-CE 3.38Å; I188-L262 HydrophobicContact CD1-CD1 4.28Å; I188-L262 HydrophobicContact CD1-CG 4.02Å; I188-L262 HydrophobicContact CG1-CD1 3.38Å; I188-L262 HydrophobicContact CG1-CG 3.66Å; I188-D269 HydrophobicContact CD1-CB 4.49Å; I188-D269 HydrophobicContact CG1-CB 4.42Å; I188-D269 PolarHBondContact N-OD2 2.8Å; I188-V271 HydrophobicContact CD1-CB 4.14Å; I188-V271 HydrophobicContact CD1-CG1 4.02Å; I188-V271 HydrophobicContact CG2-CB 4.18Å; I188-V271 HydrophobicContact CG2-CG1 3.72Å
189R96.1Very high88.6Confident154 Ų15484.6 Ų84.658%0.58137%0.369SS*.  trans-103.582.4176.5-64.9-171-179.7-167.90.1109.9P191 P211R189-P191 WeakPolarHBondContact O-CD 3.39Å; R189-P211 HydrophobicContact CB-CB 4.35Å; R189-P211 PolarHBondContact N-O 2.87Å
190M95.7Very high89.3Confident23 Ų2384.7 Ų84.711%0.11337%0.37CS..  trans-64.4114.4-177.4-163.260.3162.300112.2L194 R195 I210 V271 L273M190-L194 HydrophobicContact CE-CB 3.56Å; M190-L194 WeakPolarHBondContact CE-O 3.24Å; M190-L194 HydrophobicContact CG-CB 4.49Å; M190-L194 HydrophobicContact SD-CB 4.07Å; M190-R195 HydrophobicContact CB-CG 4.48Å; M190-R195 HydrophobicContact CG-CG 4.06Å; M190-R195 PolarHBondContact O-NE 3.06Å; M190-I210 HydrophobicContact CE-CD1 4.26Å; M190-I210 HydrophobicContact SD-CD1 3.87Å; M190-I210 HydrophobicContact SD-CG1 4.47Å; M190-I210 HydrophobicContact SD-CG2 4.17Å; M190-V271 HydrophobicContact CB-CG2 4.27Å; M190-V271 HydrophobicContact CE-CG1 4.39Å; M190-V271 HydrophobicContact CE-CG2 4.18Å; M190-V271 HydrophobicContact CG-CG2 4.04Å; M190-V271 HydrophobicContact SD-CG1 3.99Å; M190-V271 HydrophobicContact SD-CG2 4Å; M190-L273 HydrophobicContact CE-CB 3.47Å; M190-L273 VanDerWaalsContact CE-CB 3.47Å
191P94.9Very high90.4Very high25 Ų2583.9 Ų83.916%0.16237%0.367CS..  trans-58.4143.7177-23.734.3000111.8R189 F193 L194 R195R189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-F193 VanDerWaalsContact C-N 3.26Å; P191-F193 HydrophobicContact CB-CD1 3.69Å; P191-F193 HydrophobicContact CB-CE1 3.33Å; P191-F193 HydrophobicContact CB-CZ 3.99Å; P191-F193 HydrophobicContact CG-CE1 4.15Å; P191-F193 HydrophobicContact CG-CZ 4.44Å; P191-F193 PolarHBondContact O-N 3.48Å; P191-L194 HydrophobicContact CB-CD1 4.45Å; P191-L194 HydrophobicContact CB-CG 4.42Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 PolarHBondContact O-N 2.78Å; P191-R195 PolarHBondContact O-N 2.79Å
192R93.4Very high91.8Very high210 Ų21082.6 Ų82.679%0.79237%0.365SS*.G310 helixtrans-54.1-40.7-175.6-80.5-175.1163.2123.8-3.3113.4L194 R195R192-L194 PolarHBondContact O-N 3.29Å; R192-R195 WeakPolarHBondContact O-CB 3.48Å; R192-R195 PolarHBondContact O-N 2.84Å
193F90.3Very high93Very high124 Ų12482 Ų8254%0.54437%0.37SS..G310 helixtrans-69.9-16.2-179.669.6-88.9000113.9P191 Y198P191-F193 VanDerWaalsContact C-N 3.26Å; P191-F193 HydrophobicContact CB-CD1 3.69Å; P191-F193 HydrophobicContact CB-CE1 3.33Å; P191-F193 HydrophobicContact CB-CZ 3.99Å; P191-F193 HydrophobicContact CG-CE1 4.15Å; P191-F193 HydrophobicContact CG-CZ 4.44Å; P191-F193 PolarHBondContact O-N 3.48Å; F193-Y198 HydrophobicContact CD2-CD2 4.14Å; F193-Y198 HydrophobicContact CD2-CE2 4.22Å; F193-Y198 HydrophobicContact CE2-CD2 4.42Å; F193-Y198 HydrophobicContact CE2-CE2 4.26Å
194L93.8Very high93.9Very high1 Ų185.3 Ų85.31%0.00538%0.382CS..G310 helixtrans-98.4-9.2175.8-60.7-178000113.3M190 P191 R192 Q196 Y198 L208 I210M190-L194 HydrophobicContact CE-CB 3.56Å; M190-L194 WeakPolarHBondContact CE-O 3.24Å; M190-L194 HydrophobicContact CG-CB 4.49Å; M190-L194 HydrophobicContact SD-CB 4.07Å; P191-L194 HydrophobicContact CB-CD1 4.45Å; P191-L194 HydrophobicContact CB-CG 4.42Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 PolarHBondContact O-N 2.78Å; R192-L194 PolarHBondContact O-N 3.29Å; L194-Q196 CarbonylContact C-O 3.55Å; L194-Q196 PolarHBondContact O-N 3.24Å; L194-Q196 VanDerWaalsContact O-O 3.07Å; L194-Y198 HydrophobicContact CD2-CD2 3.61Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CD2-CG 4.1Å; L194-L208 HydrophobicContact CD1-CB 4.43Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; L194-I210 HydrophobicContact CD1-CD1 4.33Å; L194-I210 HydrophobicContact CD1-CG1 3.92Å
195R91.3Very high94.6Very high171 Ų17188.9 Ų88.965%0.64539%0.394SS*.SBendtrans-67.7-22.7175.9-64.7-178.5-174.1-167.5-4112.6M190 P191 R192M190-R195 HydrophobicContact CB-CG 4.48Å; M190-R195 HydrophobicContact CG-CG 4.06Å; M190-R195 PolarHBondContact O-NE 3.06Å; P191-R195 PolarHBondContact O-N 2.79Å; R192-R195 WeakPolarHBondContact O-CB 3.48Å; R192-R195 PolarHBondContact O-N 2.84Å
196Q91.4Very high95.1Very high158 Ų15881.4 Ų81.474%0.73837%0.365SS*.SBendtrans-104.9-177.5170.7-61.2-17125.400109.7L194 Y198L194-Q196 CarbonylContact C-O 3.55Å; L194-Q196 PolarHBondContact O-N 3.24Å; L194-Q196 VanDerWaalsContact O-O 3.07Å; Q196-Y198 PolarHBondContact O-N 3.18Å
197R94.5Very high95.1Very high143 Ų14385.4 Ų85.454%0.5439%0.387SS..  trans-63.6118174.4176.7168.955.5164.3-12.4111V199 T274 Q276R197-V199 HydrophobicContact CG-CG2 4.22Å; R197-T274 CarbonylContact C-O 3.37Å; R197-T274 WeakPolarHBondContact CA-O 3.32Å; R197-T274 HydrophobicContact CB-CG2 4.32Å; R197-T274 HydrophobicContact CG-CG2 4.03Å; R197-Q276 HydrophobicContact CG-CB 3.83Å; R197-Q276 VanDerWaalsContact CZ-OE1 3.32Å
198Y95.7Very high95.1Very high60 Ų6079.2 Ų79.224%0.23536%0.36CS..EExtended strand (participates in β ladder)trans-78.9128.6170.6-173.4-89.2000109.3F193 L194 Q196 A200 V206 L208 T274 L275 Q276F193-Y198 HydrophobicContact CD2-CD2 4.14Å; F193-Y198 HydrophobicContact CD2-CE2 4.22Å; F193-Y198 HydrophobicContact CE2-CD2 4.42Å; F193-Y198 HydrophobicContact CE2-CE2 4.26Å; L194-Y198 HydrophobicContact CD2-CD2 3.61Å; L194-Y198 HydrophobicContact CD2-CE2 4.38Å; L194-Y198 HydrophobicContact CD2-CG 4.1Å; Q196-Y198 PolarHBondContact O-N 3.18Å; Y198-A200 HydrophobicContact CE1-CB 4.03Å; Y198-V206 HydrophobicContact CE1-CG1 4.19Å; Y198-L208 HydrophobicContact CD1-CD2 3.94Å; Y198-L208 HydrophobicContact CD2-CD2 4.06Å; Y198-L208 HydrophobicContact CE1-CD2 3.9Å; Y198-L208 HydrophobicContact CE2-CD2 4.01Å; Y198-L208 HydrophobicContact CG-CD2 4.01Å; Y198-T274 PolarHBondContact N-O 2.85Å; Y198-L275 HydrophobicContact CD1-CD1 3.55Å; Y198-L275 HydrophobicContact CE1-CD1 4.29Å; Y198-L275 HydrophobicContact CG-CD1 4.48Å; Y198-Q276 PolarHBondContact O-N 2.86Å
199V95.5Very high95.1Very high59 Ų5980.8 Ų80.836%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-115.5128.9-176.6179.30000108.7R197 Q276 V278 K359R197-V199 HydrophobicContact CG-CG2 4.22Å; V199-Q276 WeakPolarHBondContact CA-O 3.19Å; V199-V278 HydrophobicContact CG1-CG1 4.1Å; V199-V278 HydrophobicContact CG1-CG2 3.61Å; V199-K359 VanDerWaalsContact CG1-NZ 3.26Å; V199-K359 VanDerWaalsContact CG2-NZ 3.34Å
200A96.3Very high95.2Very high2 Ų273.4 Ų73.42%0.01734%0.342CS..EExtended strand (participates in β ladder)trans-134.8159.3171.300000109.8Y198 V206 Q276 I277 V278Y198-A200 HydrophobicContact CE1-CB 4.03Å; A200-V206 HydrophobicContact CB-CG2 3.87Å; A200-Q276 PolarHBondContact N-O 2.95Å; A200-Q276 VanDerWaalsContact N-O 3.1Å; A200-I277 HydrophobicContact CB-CD1 3.9Å; A200-I277 CarbonylContact O-C 3.44Å; A200-I277 VanDerWaalsContact O-CA 3.25Å; A200-I277 WeakPolarHBondContact O-CA 3.47Å; A200-V278 WeakPolarHBondContact O-CG2 3.47Å; A200-V278 PolarHBondContact O-N 2.88Å
201Q96.4Very high95.3Very high86 Ų8674.7 Ų74.740%0.40235%0.352SS..EExtended strand (participates in β ladder)trans-91156.7176.4-55.8-174.723.500111.5G203 E204 V278 V360Q201-G203 PolarHBondContact O-N 2.86Å; Q201-E204 HydrophobicContact CB-CG 4.01Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 WeakPolarHBondContact O-CB 3.06Å; Q201-E204 PolarHBondContact O-N 2.87Å; Q201-E204 VanDerWaalsContact O-N 3.13Å; Q201-V278 CarbonylContact C-O 3.51Å; Q201-V278 VanDerWaalsContact CA-O 3.23Å; Q201-V278 WeakPolarHBondContact CA-O 3.28Å; Q201-V278 HydrophobicContact CG-CG2 4.31Å; Q201-V360 HydrophobicContact CG-CG1 4.24Å
202V96.6Very high95.4Very high56 Ų5673.8 Ų73.834%0.33935%0.346SS..THydrogen-bonded Turntrans-59.2139.4172167.10000110.8E204 A250 I277 V278 E279V202-E204 VanDerWaalsContact C-N 3.26Å; V202-E204 PolarHBondContact O-N 3.3Å; V202-A250 WeakPolarHBondContact CA-O 3.39Å; V202-A250 WeakPolarHBondContact CG1-O 3.39Å; V202-I277 HydrophobicContact CB-CG2 4.34Å; V202-I277 HydrophobicContact CG2-CG2 3.4Å; V202-I277 VanDerWaalsContact CG2-CG2 3.4Å; V202-V278 PolarHBondContact N-O 3.09Å; V202-E279 HydrophobicContact CB-CG 3.67Å; V202-E279 WeakPolarHBondContact CB-OE1 3.16Å; V202-E279 WeakPolarHBondContact CG1-OE1 3.28Å; V202-E279 HydrophobicContact CG2-CG 3.29Å; V202-E279 WeakPolarHBondContact CG2-OE1 3.44Å
203G95.4Very high95.4Very high42 Ų4266.3 Ų66.343%0.43332%0.324SS..THydrogen-bonded Turntrans84.9-16.9-174.200000114.6Q201 A250Q201-G203 PolarHBondContact O-N 2.86Å; G203-A250 PolarHBondContact N-O 2.89Å
204E96.8Very high95.3Very high90 Ų9061.2 Ų61.242%0.42131%0.306SS..PPolyproline II helixtrans-71.6152.2179-69.3-171.5146.900112.4Q201 V202 A250Q201-E204 HydrophobicContact CB-CG 4.01Å; Q201-E204 PolarHBondContact N-OE2 3.04Å; Q201-E204 WeakPolarHBondContact O-CB 3.06Å; Q201-E204 PolarHBondContact O-N 2.87Å; Q201-E204 VanDerWaalsContact O-N 3.13Å; V202-E204 VanDerWaalsContact C-N 3.26Å; V202-E204 PolarHBondContact O-N 3.3Å; E204-A250 WeakPolarHBondContact O-CB 3.11Å; E204-A250 PolarHBondContact O-N 3.3Å
205K96.6Very high94.8Very high155 Ų15566 Ų6667%0.67433%0.327SS*.PPolyproline II helixtrans-78.8124.3170.6-70.7168.1-173.9173.40109F246 I247 R248K205-F246 HydrophobicContact CB-CE2 4.44Å; K205-I247 WeakPolarHBondContact CA-O 3.42Å; K205-R248 WeakPolarHBondContact CG-O 3.48Å
206V97.2Very high94.5Very high0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-100.1125.9172.71790000108.4Y198 A200 L208 F246 I247 A250 L275 I277Y198-V206 HydrophobicContact CE1-CG1 4.19Å; A200-V206 HydrophobicContact CB-CG2 3.87Å; V206-L208 HydrophobicContact CG1-CD1 4.15Å; V206-L208 HydrophobicContact CG1-CD2 3.79Å; V206-L208 HydrophobicContact CG1-CG 3.72Å; V206-F246 CarbonylContact O-C 3.58Å; V206-F246 VanDerWaalsContact O-CA 3.32Å; V206-F246 WeakPolarHBondContact O-CA 3.42Å; V206-F246 WeakPolarHBondContact O-CD2 3.41Å; V206-I247 HydrophobicContact CB-CB 4.05Å; V206-I247 HydrophobicContact CB-CD1 4.37Å; V206-I247 HydrophobicContact CB-CG1 4.35Å; V206-I247 PolarHBondContact N-O 2.91Å; V206-I247 PolarHBondContact O-N 3.32Å; V206-A250 HydrophobicContact CG2-CB 4.01Å; V206-L275 HydrophobicContact CG1-CD1 4.23Å; V206-L275 HydrophobicContact CG1-CD2 4.42Å; V206-I277 HydrophobicContact CG2-CD1 4.14Å
207N96.4Very high94.4Very high87 Ų8758.5 Ų58.547%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-136.296.9178.8-1744.9000109.8I244 F246N207-I244 WeakPolarHBondContact OD1-CG2 3.33Å; N207-F246 HydrophobicContact CB-CD2 4.09Å
208L96.4Very high94.3Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-103.6107.1-176.3-47.8179.9000108.9L194 Y198 V206 I244 L245 L273L194-L208 HydrophobicContact CD1-CB 4.43Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; Y198-L208 HydrophobicContact CD1-CD2 3.94Å; Y198-L208 HydrophobicContact CD2-CD2 4.06Å; Y198-L208 HydrophobicContact CE1-CD2 3.9Å; Y198-L208 HydrophobicContact CE2-CD2 4.01Å; Y198-L208 HydrophobicContact CG-CD2 4.01Å; V206-L208 HydrophobicContact CG1-CD1 4.15Å; V206-L208 HydrophobicContact CG1-CD2 3.79Å; V206-L208 HydrophobicContact CG1-CG 3.72Å; L208-I244 CarbonylContact O-C 3.34Å; L208-I244 WeakPolarHBondContact O-CA 3.19Å; L208-L245 HydrophobicContact CB-CB 4.34Å; L208-L245 HydrophobicContact CD1-CD2 4.36Å; L208-L245 PolarHBondContact N-O 3.43Å; L208-L245 PolarHBondContact O-N 2.83Å; L208-L273 HydrophobicContact CD1-CD1 3.67Å; L208-L273 HydrophobicContact CD1-CD2 3.8Å; L208-L273 HydrophobicContact CD1-CG 4.44Å
209T96.6Very high94.3Very high50 Ų5055.6 Ų55.631%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-98.8119.5175.4-55.40000109.6D242 I244T209-D242 HydrophobicContact CG2-CB 3.99Å; T209-I244 HydrophobicContact CG2-CG1 4.01Å
210I97.6Very high94.4Very high0 Ų054.2 Ų54.20%029%0.288CS..EExtended strand (participates in β ladder)trans-117.4108.6178.5-52.2-173.4000108.9I188 M190 L194 W222 D242 S243 M260 L273I188-I210 HydrophobicContact CG2-CG2 3.63Å; M190-I210 HydrophobicContact CE-CD1 4.26Å; M190-I210 HydrophobicContact SD-CD1 3.87Å; M190-I210 HydrophobicContact SD-CG1 4.47Å; M190-I210 HydrophobicContact SD-CG2 4.17Å; L194-I210 HydrophobicContact CD1-CD1 4.33Å; L194-I210 HydrophobicContact CD1-CG1 3.92Å; I210-W222 HydrophobicContact CD1-CH2 3.47Å; I210-W222 VanDerWaalsContact CD1-CH2 3.47Å; I210-W222 HydrophobicContact CD1-CZ2 4.07Å; I210-W222 HydrophobicContact CD1-CZ3 4.41Å; I210-W222 HydrophobicContact CG1-CH2 4.25Å; I210-D242 WeakPolarHBondContact O-CA 3.11Å; I210-S243 PolarHBondContact N-O 2.88Å; I210-S243 PolarHBondContact O-N 3.07Å; I210-M260 HydrophobicContact CB-CE 3.97Å; I210-M260 HydrophobicContact CB-SD 4.13Å; I210-M260 HydrophobicContact CD1-CE 4.46Å; I210-M260 HydrophobicContact CD1-SD 4.36Å; I210-M260 HydrophobicContact CG2-CE 3.49Å; I210-M260 VanDerWaalsContact CG2-CE 3.49Å; I210-M260 HydrophobicContact CG2-SD 4.31Å; I210-L273 HydrophobicContact CD1-CD2 4.02Å
211P97.7Very high94.3Very high50 Ų5056.3 Ų56.333%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-68.6150.4175.1-18.831.9000112.5R189 R241R189-P211 HydrophobicContact CB-CB 4.35Å; R189-P211 PolarHBondContact N-O 2.87Å; P211-R241 CarbonylContact C-O 3.59Å; P211-R241 VanDerWaalsContact CA-O 3.28Å; P211-R241 WeakPolarHBondContact CA-O 3.48Å
212F97.1Very high94.4Very high5 Ų552.8 Ų52.82%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-144.3164.2172.860.7-105000112.2K187 P218 V220 E240 R241 D242 L262K187-F212 CarbonylContact O-C 3.5Å; K187-F212 VanDerWaalsContact O-CA 3.22Å; K187-F212 WeakPolarHBondContact O-CA 3.25Å; F212-P218 HydrophobicContact CD2-CG 3.92Å; F212-P218 HydrophobicContact CE2-CB 4.39Å; F212-P218 HydrophobicContact CE2-CG 3.96Å; F212-V220 HydrophobicContact CD1-CG2 4.48Å; F212-V220 HydrophobicContact CE1-CG2 3.64Å; F212-V220 HydrophobicContact CZ-CG2 3.8Å; F212-E240 WeakPolarHBondContact CE2-O 3.4Å; F212-R241 PolarHBondContact N-O 3.12Å; F212-R241 VanDerWaalsContact O-O 3.07Å; F212-D242 WeakPolarHBondContact CE1-O 3.36Å; F212-L262 HydrophobicContact CB-CD1 3.36Å; F212-L262 HydrophobicContact CB-CD2 4.47Å; F212-L262 HydrophobicContact CD1-CD1 4.39Å; F212-L262 HydrophobicContact CD1-CD2 3.99Å; F212-L262 HydrophobicContact CD2-CD1 4.27Å; F212-L262 HydrophobicContact CE1-CD2 4.35Å; F212-L262 HydrophobicContact CG-CD1 3.79Å; F212-L262 HydrophobicContact CG-CD2 4.11Å
213T93.6Very high94.4Very high54 Ų5451.6 Ų51.633%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-126.1159.6169.357.20000109.4P186 K187P186-T213 CarbonylContact C-O 3.6Å; P186-T213 VanDerWaalsContact CA-O 3.22Å; P186-T213 WeakPolarHBondContact CA-O 3.46Å; K187-T213 PolarHBondContact N-O 2.79Å; K187-T213 PolarHBondContact O-N 3.46Å
214G88.9Confident94.5Very high17 Ų1751.3 Ų51.318%0.17527%0.265CS..EExtended strand (participates in β ladder)trans153.1148177.200000109.7P216G214-P216 CarbonylContact C-O 3.6Å
215K83.9Confident94.2Very high100 Ų10055.9 Ų55.944%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-141.4138.2179.8-67-170.9177-172.30108.8E181 A183 D184 V264E181-K215 WeakPolarHBondContact OE1-CD 3.28Å; E181-K215 IonicContact OE1-NZ 2.78Å; E181-K215 PolarHBondContact OE1-NZ 2.94Å; A183-K215 CarbonylContact C-O 3.47Å; A183-K215 WeakPolarHBondContact CA-O 3.42Å; D184-K215 HydrophobicContact CB-CB 4.06Å; D184-K215 PolarHBondContact N-O 2.93Å; K215-V264 VanDerWaalsContact O-CG1 3.3Å; K215-V264 WeakPolarHBondContact O-CG1 3.4Å
216P85.1Confident93.8Very high48 Ų4851.9 Ų51.931%0.31229%0.286SS..SBendcis-54.3171.2-14.8-23.534.6000112.3G214 P218G214-P216 CarbonylContact C-O 3.6Å; P216-P218 WeakPolarHBondContact O-CD 3.12Å; P216-P218 VanDerWaalsContact O-N 3.09Å
217K87.9Confident93.7Very high125 Ų12554.5 Ų54.554%0.54331%0.308SS..PPolyproline II helixtrans-47121.3-176177.9-178.5173.5173.50110.8T239K217-T239 WeakPolarHBondContact CE-O 3.34Å; K217-T239 PolarHBondContact NZ-O 2.84Å
218P93.3Very high93.5Very high4 Ų454.7 Ų54.73%0.02632%0.321CS..PPolyproline II helixtrans-60.6139.6179.3-23.131.3000112.9P186 F212 P216 V220 L262 K263 V264P186-P218 HydrophobicContact CB-CB 4.41Å; P186-P218 HydrophobicContact CB-CG 4.19Å; F212-P218 HydrophobicContact CD2-CG 3.92Å; F212-P218 HydrophobicContact CE2-CB 4.39Å; F212-P218 HydrophobicContact CE2-CG 3.96Å; P216-P218 WeakPolarHBondContact O-CD 3.12Å; P216-P218 VanDerWaalsContact O-N 3.09Å; P218-V220 PolarHBondContact O-N 2.84Å; P218-L262 HydrophobicContact CB-CB 4.15Å; P218-L262 HydrophobicContact CB-CD2 4.15Å; P218-K263 WeakPolarHBondContact CA-O 3.46Å; P218-V264 HydrophobicContact CB-CG2 3.62Å; P218-V264 HydrophobicContact CG-CG2 3.57Å
219E94.9Very high93.4Very high137 Ų13755.9 Ų55.964%0.6433%0.328SS*.EExtended strand (participates in β ladder)trans-72123.7163.3-171.8-176175.700108.4L262 K263E219-L262 WeakPolarHBondContact O-CA 3.33Å; E219-K263 HydrophobicContact CB-CB 4.46Å; E219-K263 PolarHBondContact N-O 3.1Å; E219-K263 PolarHBondContact O-N 2.86Å
220V96.9Very high93.3Very high31 Ų3157.7 Ų57.719%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-103.3127-179.1-171.30000109.2F212 P218 M260 L262F212-V220 HydrophobicContact CD1-CG2 4.48Å; F212-V220 HydrophobicContact CE1-CG2 3.64Å; F212-V220 HydrophobicContact CZ-CG2 3.8Å; P218-V220 PolarHBondContact O-N 2.84Å; V220-M260 HydrophobicContact CG1-CG 4.08Å; V220-M260 HydrophobicContact CG1-SD 4.23Å; V220-L262 HydrophobicContact CB-CD2 4.21Å; V220-L262 HydrophobicContact CG1-CD2 4.11Å; V220-L262 HydrophobicContact CG2-CD2 3.7Å
221S95.9Very high93.1Very high45 Ų4563 Ų6332%0.31537%0.37SS..EExtended strand (participates in β ladder)trans-127.5147.9172.560.90000110.9M260 C261S221-M260 WeakPolarHBondContact O-CA 3.35Å; S221-C261 PolarHBondContact N-O 2.69Å; S221-C261 PolarHBondContact O-N 2.7Å; S221-C261 WeakPolarHBondContact OG-CB 3.49Å; S221-C261 PolarHBondContact OG-O 3.46Å
222W97.6Very high92.9Very high13 Ų1370.1 Ų70.15%0.04940%0.396CS..EExtended strand (participates in β ladder)trans-130137.7179.9-75.583.8000110.4I210 L229 I236 S243 L245 E259 M260 L273I210-W222 HydrophobicContact CD1-CH2 3.47Å; I210-W222 VanDerWaalsContact CD1-CH2 3.47Å; I210-W222 HydrophobicContact CD1-CZ2 4.07Å; I210-W222 HydrophobicContact CD1-CZ3 4.41Å; I210-W222 HydrophobicContact CG1-CH2 4.25Å; W222-L229 HydrophobicContact CB-CD1 3.92Å; W222-L229 HydrophobicContact CB-CG 4.23Å; W222-I236 HydrophobicContact CB-CD1 3.61Å; W222-I236 HydrophobicContact CG-CD1 3.82Å; W222-I236 HydrophobicContact CG-CG1 4.41Å; W222-S243 PolarHBondContact NE1-OG 2.79Å; W222-L245 HydrophobicContact CD2-CD1 4.28Å; W222-L245 HydrophobicContact CE3-CD1 3.74Å; W222-L245 HydrophobicContact CH2-CB 4.15Å; W222-L245 HydrophobicContact CH2-CD1 4.23Å; W222-L245 HydrophobicContact CZ2-CB 4.28Å; W222-L245 HydrophobicContact CZ3-CB 4.47Å; W222-L245 HydrophobicContact CZ3-CD1 3.71Å; W222-E259 CarbonylContact C-O 3.48Å; W222-E259 VanDerWaalsContact CA-O 3.29Å; W222-E259 WeakPolarHBondContact CA-O 3.36Å; W222-M260 HydrophobicContact CD2-CB 3.94Å; W222-M260 HydrophobicContact CD2-CG 4.03Å; W222-M260 HydrophobicContact CE3-CB 3.97Å; W222-M260 HydrophobicContact CH2-CB 4.02Å; W222-M260 HydrophobicContact CH2-CG 4.38Å; W222-M260 HydrophobicContact CH2-SD 4.11Å; W222-M260 HydrophobicContact CZ2-CB 3.93Å; W222-M260 HydrophobicContact CZ2-CG 3.78Å; W222-M260 HydrophobicContact CZ2-SD 3.34Å; W222-M260 WeakPolarHBondContact CZ2-SD 3.34Å; W222-M260 HydrophobicContact CZ3-CB 4.01Å; W222-L273 HydrophobicContact CH2-CD2 3.85Å; W222-L273 HydrophobicContact CZ3-CD2 3.59Å
223T97.4Very high92.8Very high31 Ų3173 Ų7319%0.1941%0.407CS..EExtended strand (participates in β ladder)trans-134159174.871.70000111.1A227 Y258 E259T223-A227 CarbonylContact C-O 3.45Å; T223-A227 WeakPolarHBondContact CA-O 3.29Å; T223-A227 VanDerWaalsContact CB-O 3.25Å; T223-A227 WeakPolarHBondContact CB-O 3.27Å; T223-Y258 CarbonylContact O-C 3.06Å; T223-Y258 VanDerWaalsContact O-CA 3.28Å; T223-Y258 WeakPolarHBondContact O-CA 3.21Å; T223-E259 PolarHBondContact N-O 3.48Å; T223-E259 PolarHBondContact O-N 2.82Å
224K96.5Very high92.9Very high36 Ų3670.8 Ų70.816%0.15739%0.393CS..EExtended strand (participates in β ladder)trans-131124.5169.3177-179.9-176.6171.60107.6G226 A227 L229 D253 D254 S255 Y258K224-G226 PolarHBondContact O-N 2.92Å; K224-A227 PolarHBondContact N-O 2.7Å; K224-A227 PolarHBondContact O-N 2.52Å; K224-L229 HydrophobicContact CB-CD2 3.34Å; K224-D253 PolarHBondContact NZ-O 2.93Å; K224-D254 VanDerWaalsContact NZ-CA 3.26Å; K224-D254 PolarHBondContact NZ-O 3.42Å; K224-S255 WeakPolarHBondContact CE-O 3.18Å; K224-S255 PolarHBondContact NZ-O 3.15Å; K224-Y258 HydrophobicContact CB-CD1 4.19Å; K224-Y258 HydrophobicContact CB-CE1 4.24Å; K224-Y258 HydrophobicContact CD-CE1 4.03Å; K224-Y258 HydrophobicContact CD-CE2 4.05Å; K224-Y258 PolarHBondContact NZ-OH 3.32Å
225K90.1Very high93.2Very high186 Ų18673.4 Ų73.481%0.80940%0.403SS*.THydrogen-bonded Turntrans53.435.4-173.2-56.5175.2179.2177.40112.5A227K225-A227 PolarHBondContact O-N 2.71Å
226G89.4Confident93.8Very high70 Ų7071.7 Ų71.772%0.72240%0.398SS*.THydrogen-bonded Turntrans75.3-2.9-178.100000115.6K224K224-G226 PolarHBondContact O-N 2.92Å
227A93.6Very high94.3Very high56 Ų5677.4 Ų77.446%0.46341%0.413SS..EExtended strand (participates in β ladder)trans-99.8151.5176.800000111.7T223 K224 K225T223-A227 CarbonylContact C-O 3.45Å; T223-A227 WeakPolarHBondContact CA-O 3.29Å; T223-A227 VanDerWaalsContact CB-O 3.25Å; T223-A227 WeakPolarHBondContact CB-O 3.27Å; K224-A227 PolarHBondContact N-O 2.7Å; K224-A227 PolarHBondContact O-N 2.52Å; K225-A227 PolarHBondContact O-N 2.71Å
228A93.3Very high94.5Very high90 Ų9073.7 Ų73.774%0.74440%0.404SS*.EExtended strand (participates in β ladder)trans-59.4144.8172.100000111
229L95.3Very high94.4Very high25 Ų2576.4 Ų76.413%0.13142%0.42CS..PPolyproline II helixtrans-71.7144.2178.4-54.2-168.2000111.1W222 K224 P231 V234 I236 L245 Y258W222-L229 HydrophobicContact CB-CD1 3.92Å; W222-L229 HydrophobicContact CB-CG 4.23Å; K224-L229 HydrophobicContact CB-CD2 3.34Å; L229-P231 WeakPolarHBondContact O-CD 3.4Å; L229-V234 HydrophobicContact CB-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.17Å; L229-V234 HydrophobicContact CD1-CG1 3.8Å; L229-V234 HydrophobicContact CD1-CG2 4.4Å; L229-I236 HydrophobicContact CD1-CD1 3.9Å; L229-I236 HydrophobicContact CD1-CG1 4.46Å; L229-L245 HydrophobicContact CD1-CD1 3.94Å; L229-Y258 HydrophobicContact CD1-CD1 3.88Å; L229-Y258 HydrophobicContact CD1-CE1 3.92Å; L229-Y258 HydrophobicContact CD2-CD1 3.84Å; L229-Y258 HydrophobicContact CD2-CE1 3.82Å
230D94.1Very high94.1Very high89 Ų8976.9 Ų76.948%0.47642%0.422SS..PPolyproline II helixtrans-70.3116.1171.9177.72.8000110.2K232 R233 V234D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 WeakPolarHBondContact OD1-CB 3.26Å; D230-K232 PolarHBondContact OD1-N 2.78Å; D230-R233 HydrophobicContact CB-CB 4.11Å; D230-R233 PolarHBondContact O-N 2.84Å; D230-V234 PolarHBondContact O-N 2.88Å
231P93.7Very high93.9Very high111 Ų11184.4 Ų84.472%0.72145%0.447SS*.THydrogen-bonded Turntrans-68.1-16.8-178.129.2-36.5000113.6L229 R233L229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-R233 VanDerWaalsContact C-N 3.34Å
232K92.6Very high93.9Very high200 Ų20084.2 Ų84.287%0.8744%0.443SS*.THydrogen-bonded Turntrans-75.1-27.8172.3-64.6-179.5-179.1176.40111.8D230D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 WeakPolarHBondContact OD1-CB 3.26Å; D230-K232 PolarHBondContact OD1-N 2.78Å
233R94.3Very high93.9Very high64 Ų6483.6 Ų83.624%0.24244%0.44CS..THydrogen-bonded Turntrans-93.8-45.1-177.9-175.669-158.7151.7-3.2112.5D230 P231 S249 E251 D254D230-R233 HydrophobicContact CB-CB 4.11Å; D230-R233 PolarHBondContact O-N 2.84Å; P231-R233 VanDerWaalsContact C-N 3.34Å; R233-S249 PolarHBondContact NH1-O 3.08Å; R233-S249 PolarHBondContact NH2-O 3.33Å; R233-E251 IonicContact CZ-OE1 3.98Å; R233-E251 VanDerWaalsContact CZ-OE1 3.28Å; R233-E251 IonicContact CZ-OE2 2.7Å; R233-E251 IonicContact NH1-OE1 3.67Å; R233-E251 PolarHBondContact NH1-OE1 3.06Å; R233-E251 IonicContact NH1-OE2 2.71Å; R233-E251 VanDerWaalsContact NH2-CB 3.33Å; R233-E251 VanDerWaalsContact NH2-CG 3.28Å; R233-E251 IonicContact NH2-OE1 3.87Å; R233-E251 PolarHBondContact NH2-OE1 2.87Å; R233-D254 IonicContact CZ-OD1 3.37Å; R233-D254 IonicContact CZ-OD2 2.69Å; R233-D254 IonicContact NE-OD1 3.93Å; R233-D254 PolarHBondContact NE-OD1 3.01Å; R233-D254 IonicContact NE-OD2 3.54Å; R233-D254 PolarHBondContact NE-OD2 3.02Å; R233-D254 IonicContact NH2-OD1 3.66Å; R233-D254 IonicContact NH2-OD2 2.84Å; R233-D254 PolarHBondContact NH2-OD2 2.95Å
234V96.1Very high93.8Very high9 Ų984 Ų846%0.05544%0.441CS..  trans-120.4125.2-173.6-172.80000109.9L229 D230 I236 L245 I247L229-V234 HydrophobicContact CB-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.17Å; L229-V234 HydrophobicContact CD1-CG1 3.8Å; L229-V234 HydrophobicContact CD1-CG2 4.4Å; D230-V234 PolarHBondContact O-N 2.88Å; V234-I236 HydrophobicContact CG1-CG1 4.43Å; V234-L245 HydrophobicContact CG1-CD1 4.04Å; V234-L245 HydrophobicContact CG1-CD2 3.76Å; V234-L245 HydrophobicContact CG1-CG 3.54Å; V234-I247 HydrophobicContact CG1-CG1 4.46Å; V234-I247 HydrophobicContact CG2-CG1 4.32Å
235N96.1Very high93.9Very high72 Ų7282.2 Ų82.239%0.38543%0.433SS..EExtended strand (participates in β ladder)trans-97.8120.6174.2-166.8-49.2000109.3F246N235-F246 HydrophobicContact CB-CB 4.39Å; N235-F246 HydrophobicContact CB-CD1 4.38Å; N235-F246 PolarHBondContact N-O 2.69Å; N235-F246 PolarHBondContact O-N 2.96Å
236I96.4Very high94.2Very high64 Ų6476.3 Ų76.333%0.32841%0.408SS..EExtended strand (participates in β ladder)trans-104.5131.5174.4-62.4161.4000108.7W222 L229 V234 I244W222-I236 HydrophobicContact CB-CD1 3.61Å; W222-I236 HydrophobicContact CG-CD1 3.82Å; W222-I236 HydrophobicContact CG-CG1 4.41Å; L229-I236 HydrophobicContact CD1-CD1 3.9Å; L229-I236 HydrophobicContact CD1-CG1 4.46Å; V234-I236 HydrophobicContact CG1-CG1 4.43Å; I236-I244 WeakPolarHBondContact CA-O 3.32Å
237R94.5Very high94.6Very high167 Ų16773 Ų7363%0.6337%0.373SS*.EExtended strand (participates in β ladder)trans-127128.6171.1-61.9-177.2-179.7-170.5-3.2109.3I244R237-I244 HydrophobicContact CB-CB 4.42Å; R237-I244 PolarHBondContact N-O 3.41Å; R237-I244 PolarHBondContact O-N 3.22Å
238S92.1Very high94.7Very high48 Ų4879.9 Ų79.934%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-119.1123.3178.7-540000110.1D242 S243S238-D242 WeakPolarHBondContact CA-O 3.34Å; S238-S243 PolarHBondContact OG-OG 3.34Å
239T92.3Very high94.9Very high60 Ų6078.1 Ų78.137%0.36837%0.369SS..  trans-90.6-164.3171.274.10000109.7K217 R241 D242K217-T239 WeakPolarHBondContact CE-O 3.34Å; K217-T239 PolarHBondContact NZ-O 2.84Å; T239-R241 VanDerWaalsContact C-N 3.31Å; T239-R241 PolarHBondContact OG1-N 3.08Å; T239-D242 WeakPolarHBondContact CB-OD1 3.5Å; T239-D242 WeakPolarHBondContact CG2-OD1 3.43Å; T239-D242 PolarHBondContact N-O 2.95Å; T239-D242 PolarHBondContact OG1-N 2.99Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-O 2.89Å; T239-D242 PolarHBondContact OG1-OD1 2.84Å
240E87.7Confident94.9Very high148 Ų14876.9 Ų76.969%0.69236%0.363SS*.SBendtrans-75.9-18.5171.8-63.7-173.8166.300113.4F212F212-E240 WeakPolarHBondContact CE2-O 3.4Å
241R92.3Very high95.1Very high188 Ų18877 Ų7771%0.70936%0.361SS*.SBendtrans-129.9-8.3-170-60.5-176.1-174.2178.81.2114.1P211 F212 T239P211-R241 CarbonylContact C-O 3.59Å; P211-R241 VanDerWaalsContact CA-O 3.28Å; P211-R241 WeakPolarHBondContact CA-O 3.48Å; F212-R241 PolarHBondContact N-O 3.12Å; F212-R241 VanDerWaalsContact O-O 3.07Å; T239-R241 VanDerWaalsContact C-N 3.31Å; T239-R241 PolarHBondContact OG1-N 3.08Å
242D96.3Very high95.1Very high41 Ų4176 Ų7622%0.21934%0.342CS..EExtended strand (participates in β ladder)trans-151.3159.4-179.855.740.9000112.4T209 I210 F212 S238 T239T209-D242 HydrophobicContact CG2-CB 3.99Å; I210-D242 WeakPolarHBondContact O-CA 3.11Å; F212-D242 WeakPolarHBondContact CE1-O 3.36Å; S238-D242 WeakPolarHBondContact CA-O 3.34Å; T239-D242 WeakPolarHBondContact CB-OD1 3.5Å; T239-D242 WeakPolarHBondContact CG2-OD1 3.43Å; T239-D242 PolarHBondContact N-O 2.95Å; T239-D242 PolarHBondContact OG1-N 2.99Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-O 2.89Å; T239-D242 PolarHBondContact OG1-OD1 2.84Å
243S97.4Very high95.2Very high0 Ų073.1 Ų73.10%034%0.337CS..EExtended strand (participates in β ladder)trans-119.4135.8167.5-172.10000109.3I210 W222 S238I210-S243 PolarHBondContact N-O 2.88Å; I210-S243 PolarHBondContact O-N 3.07Å; W222-S243 PolarHBondContact NE1-OG 2.79Å; S238-S243 PolarHBondContact OG-OG 3.34Å
244I96.8Very high95.3Very high39 Ų3970.3 Ų70.320%0.233%0.327CS..EExtended strand (participates in β ladder)trans-117.4120-177-57.1169.1000108.4N207 L208 T209 I236 R237N207-I244 WeakPolarHBondContact OD1-CG2 3.33Å; L208-I244 CarbonylContact O-C 3.34Å; L208-I244 WeakPolarHBondContact O-CA 3.19Å; T209-I244 HydrophobicContact CG2-CG1 4.01Å; I236-I244 WeakPolarHBondContact CA-O 3.32Å; R237-I244 HydrophobicContact CB-CB 4.42Å; R237-I244 PolarHBondContact N-O 3.41Å; R237-I244 PolarHBondContact O-N 3.22Å
245L97Very high95.4Very high0 Ų071 Ų710%033%0.332CS..EExtended strand (participates in β ladder)trans-99.1120168.8-174.6156.8000108.8L208 W222 L229 V234 I247 Y258L208-L245 HydrophobicContact CB-CB 4.34Å; L208-L245 HydrophobicContact CD1-CD2 4.36Å; L208-L245 PolarHBondContact N-O 3.43Å; L208-L245 PolarHBondContact O-N 2.83Å; W222-L245 HydrophobicContact CD2-CD1 4.28Å; W222-L245 HydrophobicContact CE3-CD1 3.74Å; W222-L245 HydrophobicContact CH2-CB 4.15Å; W222-L245 HydrophobicContact CH2-CD1 4.23Å; W222-L245 HydrophobicContact CZ2-CB 4.28Å; W222-L245 HydrophobicContact CZ3-CB 4.47Å; W222-L245 HydrophobicContact CZ3-CD1 3.71Å; L229-L245 HydrophobicContact CD1-CD1 3.94Å; V234-L245 HydrophobicContact CG1-CD1 4.04Å; V234-L245 HydrophobicContact CG1-CD2 3.76Å; V234-L245 HydrophobicContact CG1-CG 3.54Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CD2-CG1 3.93Å; L245-Y258 HydrophobicContact CD1-CD1 3.57Å; L245-Y258 HydrophobicContact CD1-CE1 3.88Å; L245-Y258 HydrophobicContact CD1-CG 4.28Å
246F97.1Very high95.4Very high62 Ų6268.5 Ų68.527%0.27232%0.323SS..EExtended strand (participates in β ladder)trans-122.5128.3-177.1-178.6-101.2000112.4K205 V206 N207 N235 R248K205-F246 HydrophobicContact CB-CE2 4.44Å; V206-F246 CarbonylContact O-C 3.58Å; V206-F246 VanDerWaalsContact O-CA 3.32Å; V206-F246 WeakPolarHBondContact O-CA 3.42Å; V206-F246 WeakPolarHBondContact O-CD2 3.41Å; N207-F246 HydrophobicContact CB-CD2 4.09Å; N235-F246 HydrophobicContact CB-CB 4.39Å; N235-F246 HydrophobicContact CB-CD1 4.38Å; N235-F246 PolarHBondContact N-O 2.69Å; N235-F246 PolarHBondContact O-N 2.96Å; F246-R248 HydrophobicContact CE1-CB 3.97Å; F246-R248 HydrophobicContact CZ-CB 4.43Å
247I97.8Very high95.4Very high0 Ų068.9 Ų68.90%033%0.328CS..EExtended strand (participates in β ladder)trans-120.1122.1171.1-51.6175.1000107.5K205 V206 V234 L245 D254 L275K205-I247 WeakPolarHBondContact CA-O 3.42Å; V206-I247 HydrophobicContact CB-CB 4.05Å; V206-I247 HydrophobicContact CB-CD1 4.37Å; V206-I247 HydrophobicContact CB-CG1 4.35Å; V206-I247 PolarHBondContact N-O 2.91Å; V206-I247 PolarHBondContact O-N 3.32Å; V234-I247 HydrophobicContact CG1-CG1 4.46Å; V234-I247 HydrophobicContact CG2-CG1 4.32Å; L245-I247 HydrophobicContact CD2-CD1 4.16Å; L245-I247 HydrophobicContact CD2-CG1 3.93Å; I247-D254 HydrophobicContact CD1-CB 3.94Å; I247-L275 HydrophobicContact CD1-CD2 3.88Å
248R95.8Very high95.5Very high200 Ų20061 Ų6176%0.75530%0.299SS*.SBendtrans-69-35.2-173.5176.9178.4-102.1164.6-6.8113.4K205 F246K205-R248 WeakPolarHBondContact CG-O 3.48Å; F246-R248 HydrophobicContact CE1-CB 3.97Å; F246-R248 HydrophobicContact CZ-CB 4.43Å
249S96.6Very high95.8Very high53 Ų5362.1 Ų62.137%0.37130%0.298SS..SBendtrans-154101.9-177174.20000107.3R233R233-S249 PolarHBondContact NH1-O 3.08Å; R233-S249 PolarHBondContact NH2-O 3.33Å
250A97.2Very high96Very high0 Ų059.3 Ų59.30%028%0.281CS..  trans-63.5144.2-172.400000112.8V202 G203 E204 V206 D254 I277V202-A250 WeakPolarHBondContact CA-O 3.39Å; V202-A250 WeakPolarHBondContact CG1-O 3.39Å; G203-A250 PolarHBondContact N-O 2.89Å; E204-A250 WeakPolarHBondContact O-CB 3.11Å; E204-A250 PolarHBondContact O-N 3.3Å; V206-A250 HydrophobicContact CG2-CB 4.01Å; A250-D254 WeakPolarHBondContact CA-OD2 2.81Å; A250-I277 HydrophobicContact CB-CD1 3.77Å; A250-I277 HydrophobicContact CB-CG1 4.1Å; A250-I277 HydrophobicContact CB-CG2 3.85Å
251E96.3Very high96.5Very high92 Ų9252.5 Ų52.543%0.4325%0.25SS..  trans-128.8157.3176.3-73.1165.2-140.700108.9R233 D253 D254 I277R233-E251 IonicContact CZ-OE1 3.98Å; R233-E251 VanDerWaalsContact CZ-OE1 3.28Å; R233-E251 IonicContact CZ-OE2 2.7Å; R233-E251 IonicContact NH1-OE1 3.67Å; R233-E251 PolarHBondContact NH1-OE1 3.06Å; R233-E251 IonicContact NH1-OE2 2.71Å; R233-E251 VanDerWaalsContact NH2-CB 3.33Å; R233-E251 VanDerWaalsContact NH2-CG 3.28Å; R233-E251 IonicContact NH2-OE1 3.87Å; R233-E251 PolarHBondContact NH2-OE1 2.87Å; E251-D253 PolarHBondContact O-N 2.81Å; E251-D253 VanDerWaalsContact O-N 3.13Å; E251-D254 PolarHBondContact N-OD2 3.43Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.34Å; E251-D254 PolarHBondContact O-N 2.84Å; E251-I277 WeakPolarHBondContact O-CG1 3.5Å
252R94.8Very high96.7Very high88 Ų8843.6 Ų43.633%0.33222%0.216SC..G310 helixtrans-54.1-38.2-177.4-169.4177.2-175.31605.7112.7D254 S255 D306 N309R252-D254 PolarHBondContact O-N 3.02Å; R252-S255 WeakPolarHBondContact O-CB 3.46Å; R252-S255 PolarHBondContact O-N 2.76Å; R252-S255 PolarHBondContact O-OG 3.26Å; R252-D306 IonicContact CZ-OD1 3.79Å; R252-D306 VanDerWaalsContact CZ-OD1 3.3Å; R252-D306 IonicContact CZ-OD2 3.28Å; R252-D306 IonicContact NH1-OD1 2.71Å; R252-D306 PolarHBondContact NH1-OD1 2.84Å; R252-D306 IonicContact NH1-OD2 2.84Å; R252-D306 PolarHBondContact NH1-OD2 2.85Å; R252-D306 IonicContact NH2-OD1 2.88Å; R252-D306 PolarHBondContact NH2-OD1 3.13Å; R252-N309 HydrophobicContact CG-CB 4.3Å
253D95Very high96.6Very high140 Ų14046.4 Ų46.475%0.74923%0.227SC*.G310 helixtrans-66.8-17.4179.5-76.9-3.9000113.7K224 E251 S255K224-D253 PolarHBondContact NZ-O 2.93Å; E251-D253 PolarHBondContact O-N 2.81Å; E251-D253 VanDerWaalsContact O-N 3.13Å; D253-S255 PolarHBondContact O-N 3.18Å
254D96.5Very high96.4Very high5 Ų546.8 Ų46.83%0.02723%0.229CC..G310 helixtrans-69.7-16.8171-60.9-40.1000112.3K224 R233 I247 A250 E251 R252 Y258 L275 I277K224-D254 VanDerWaalsContact NZ-CA 3.26Å; K224-D254 PolarHBondContact NZ-O 3.42Å; R233-D254 IonicContact CZ-OD1 3.37Å; R233-D254 IonicContact CZ-OD2 2.69Å; R233-D254 IonicContact NE-OD1 3.93Å; R233-D254 PolarHBondContact NE-OD1 3.01Å; R233-D254 IonicContact NE-OD2 3.54Å; R233-D254 PolarHBondContact NE-OD2 3.02Å; R233-D254 IonicContact NH2-OD1 3.66Å; R233-D254 IonicContact NH2-OD2 2.84Å; R233-D254 PolarHBondContact NH2-OD2 2.95Å; I247-D254 HydrophobicContact CD1-CB 3.94Å; A250-D254 WeakPolarHBondContact CA-OD2 2.81Å; E251-D254 PolarHBondContact N-OD2 3.43Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.34Å; E251-D254 PolarHBondContact O-N 2.84Å; R252-D254 PolarHBondContact O-N 3.02Å; D254-Y258 VanDerWaalsContact O-CE2 3.27Å; D254-Y258 WeakPolarHBondContact O-CE2 3.43Å; D254-Y258 PolarHBondContact O-OH 2.9Å; D254-L275 HydrophobicContact CB-CD2 4.35Å; D254-I277 HydrophobicContact CB-CG1 3.9Å
255S97.1Very high95.9Very high23 Ų2351 Ų5116%0.16125%0.248CC..  trans-58.9144.6175.3-54.80000111.8K224 R252 D253 L275 I277 N309K224-S255 WeakPolarHBondContact CE-O 3.18Å; K224-S255 PolarHBondContact NZ-O 3.15Å; R252-S255 WeakPolarHBondContact O-CB 3.46Å; R252-S255 PolarHBondContact O-N 2.76Å; R252-S255 PolarHBondContact O-OG 3.26Å; D253-S255 PolarHBondContact O-N 3.18Å; S255-L275 CarbonylContact C-O 3.52Å; S255-L275 VanDerWaalsContact CA-O 3.3Å; S255-L275 WeakPolarHBondContact CA-O 3.5Å; S255-I277 PolarHBondContact OG-N 2.77Å; S255-N309 PolarHBondContact OG-ND2 2.87Å
256G96Very high95.4Very high20 Ų2055 Ų5521%0.20629%0.29CS..EExtended strand (participates in β ladder)trans145.2-172.8175.400000113.2L275G256-L275 PolarHBondContact N-O 2.84Å; G256-L275 PolarHBondContact O-N 3.26Å
257V96.9Very high95.1Very high72 Ų7255.4 Ų55.444%0.43629%0.291SS..EExtended strand (participates in β ladder)trans-93.6121.8177.2-175.40000108.7L273V257-L273 WeakPolarHBondContact CA-O 3.46Å
258Y97.3Very high95Very high2 Ų259.1 Ų59.11%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-102.8136.8170.8-65.4-109.8000108.4T223 K224 L229 L245 D254 S272 L273 L275T223-Y258 CarbonylContact O-C 3.06Å; T223-Y258 VanDerWaalsContact O-CA 3.28Å; T223-Y258 WeakPolarHBondContact O-CA 3.21Å; K224-Y258 HydrophobicContact CB-CD1 4.19Å; K224-Y258 HydrophobicContact CB-CE1 4.24Å; K224-Y258 HydrophobicContact CD-CE1 4.03Å; K224-Y258 HydrophobicContact CD-CE2 4.05Å; K224-Y258 PolarHBondContact NZ-OH 3.32Å; L229-Y258 HydrophobicContact CD1-CD1 3.88Å; L229-Y258 HydrophobicContact CD1-CE1 3.92Å; L229-Y258 HydrophobicContact CD2-CD1 3.84Å; L229-Y258 HydrophobicContact CD2-CE1 3.82Å; L245-Y258 HydrophobicContact CD1-CD1 3.57Å; L245-Y258 HydrophobicContact CD1-CE1 3.88Å; L245-Y258 HydrophobicContact CD1-CG 4.28Å; D254-Y258 VanDerWaalsContact O-CE2 3.27Å; D254-Y258 WeakPolarHBondContact O-CE2 3.43Å; D254-Y258 PolarHBondContact O-OH 2.9Å; Y258-S272 CarbonylContact O-C 3.58Å; Y258-S272 WeakPolarHBondContact O-CA 3.31Å; Y258-L273 PolarHBondContact N-O 2.95Å; Y258-L273 PolarHBondContact O-N 3.34Å; Y258-L275 HydrophobicContact CD2-CB 4.05Å; Y258-L275 HydrophobicContact CE2-CB 3.84Å; Y258-L275 HydrophobicContact CE2-CD2 3.78Å; Y258-L275 HydrophobicContact CE2-CG 4.41Å
259E97.5Very high95.1Very high71 Ų7152 Ų5233%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-113.2129.6176.2-172.8179.688.800108.9W222 T223 V271W222-E259 CarbonylContact C-O 3.48Å; W222-E259 VanDerWaalsContact CA-O 3.29Å; W222-E259 WeakPolarHBondContact CA-O 3.36Å; T223-E259 PolarHBondContact N-O 3.48Å; T223-E259 PolarHBondContact O-N 2.82Å; E259-V271 WeakPolarHBondContact CA-O 3.36Å
260M97Very high95.1Very high1 Ų154.1 Ų54.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-107130.9170.5-173.1-179.975.900108.7I188 I210 V220 S221 W222 K270 V271I188-M260 HydrophobicContact CB-CE 4.12Å; I188-M260 HydrophobicContact CD1-CE 3.65Å; I188-M260 HydrophobicContact CG1-CE 3.63Å; I188-M260 HydrophobicContact CG2-CE 3.38Å; I210-M260 HydrophobicContact CB-CE 3.97Å; I210-M260 HydrophobicContact CB-SD 4.13Å; I210-M260 HydrophobicContact CD1-CE 4.46Å; I210-M260 HydrophobicContact CD1-SD 4.36Å; I210-M260 HydrophobicContact CG2-CE 3.49Å; I210-M260 VanDerWaalsContact CG2-CE 3.49Å; I210-M260 HydrophobicContact CG2-SD 4.31Å; V220-M260 HydrophobicContact CG1-CG 4.08Å; V220-M260 HydrophobicContact CG1-SD 4.23Å; S221-M260 WeakPolarHBondContact O-CA 3.35Å; W222-M260 HydrophobicContact CD2-CB 3.94Å; W222-M260 HydrophobicContact CD2-CG 4.03Å; W222-M260 HydrophobicContact CE3-CB 3.97Å; W222-M260 HydrophobicContact CH2-CB 4.02Å; W222-M260 HydrophobicContact CH2-CG 4.38Å; W222-M260 HydrophobicContact CH2-SD 4.11Å; W222-M260 HydrophobicContact CZ2-CB 3.93Å; W222-M260 HydrophobicContact CZ2-CG 3.78Å; W222-M260 HydrophobicContact CZ2-SD 3.34Å; W222-M260 WeakPolarHBondContact CZ2-SD 3.34Å; W222-M260 HydrophobicContact CZ3-CB 4.01Å; M260-K270 WeakPolarHBondContact O-CA 3.48Å; M260-V271 HydrophobicContact CB-CG1 4.22Å; M260-V271 HydrophobicContact CE-CG1 4.38Å; M260-V271 PolarHBondContact N-O 3.29Å; M260-V271 PolarHBondContact O-N 3.31Å
261C97.1Very high95Very high6 Ų655.7 Ų55.74%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-124.2132178.2174.50000110.2S221 E268 D269 K270S221-C261 PolarHBondContact N-O 2.69Å; S221-C261 PolarHBondContact O-N 2.7Å; S221-C261 WeakPolarHBondContact OG-CB 3.49Å; S221-C261 PolarHBondContact OG-O 3.46Å; C261-E268 VanDerWaalsContact SG-CG 3.56Å; C261-E268 PolarHBondContact SG-OE1 3.3Å; C261-D269 WeakPolarHBondContact CA-O 3.41Å; C261-K270 HydrophobicContact CB-CD 4.46Å; C261-K270 HydrophobicContact CB-CG 3.88Å; C261-K270 WeakPolarHBondContact SG-CE 3.24Å
262L97.3Very high95Very high0 Ų054.5 Ų54.50%030%0.3CS..EExtended strand (participates in β ladder)trans-107.2135.4171.8-60-177.2000110.1P186 I188 F212 P218 E219 V220 E268 D269P186-L262 HydrophobicContact CB-CB 3.74Å; P186-L262 HydrophobicContact CB-CD1 4.02Å; P186-L262 HydrophobicContact CG-CB 4.23Å; I188-L262 HydrophobicContact CD1-CD1 4.28Å; I188-L262 HydrophobicContact CD1-CG 4.02Å; I188-L262 HydrophobicContact CG1-CD1 3.38Å; I188-L262 HydrophobicContact CG1-CG 3.66Å; F212-L262 HydrophobicContact CB-CD1 3.36Å; F212-L262 HydrophobicContact CB-CD2 4.47Å; F212-L262 HydrophobicContact CD1-CD1 4.39Å; F212-L262 HydrophobicContact CD1-CD2 3.99Å; F212-L262 HydrophobicContact CD2-CD1 4.27Å; F212-L262 HydrophobicContact CE1-CD2 4.35Å; F212-L262 HydrophobicContact CG-CD1 3.79Å; F212-L262 HydrophobicContact CG-CD2 4.11Å; P218-L262 HydrophobicContact CB-CB 4.15Å; P218-L262 HydrophobicContact CB-CD2 4.15Å; E219-L262 WeakPolarHBondContact O-CA 3.33Å; V220-L262 HydrophobicContact CB-CD2 4.21Å; V220-L262 HydrophobicContact CG1-CD2 4.11Å; V220-L262 HydrophobicContact CG2-CD2 3.7Å; L262-E268 VanDerWaalsContact O-CA 3.3Å; L262-E268 WeakPolarHBondContact O-CA 3.32Å; L262-D269 PolarHBondContact N-O 2.81Å; L262-D269 PolarHBondContact O-N 3.1Å
263K95.1Very high95.1Very high101 Ų10150.5 Ų50.544%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-126.7132.6173.9-65.6-178.9179.6179.60111.3P218 E219 F267 E268P218-K263 WeakPolarHBondContact CA-O 3.46Å; E219-K263 HydrophobicContact CB-CB 4.46Å; E219-K263 PolarHBondContact N-O 3.1Å; E219-K263 PolarHBondContact O-N 2.86Å; K263-F267 WeakPolarHBondContact CA-O 3.49Å; K263-E268 WeakPolarHBondContact CE-OE1 3.43Å; K263-E268 HydrophobicContact CG-CG 4.22Å; K263-E268 IonicContact NZ-OE1 2.84Å
264V92.5Very high95.2Very high7 Ų746.7 Ų46.74%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-141.1112.8174.6178.70000107.8A183 P186 K215 P218 G266 F267A183-V264 HydrophobicContact CB-CG1 4.16Å; P186-V264 HydrophobicContact CB-CG2 3.81Å; P186-V264 HydrophobicContact CG-CB 4.22Å; P186-V264 HydrophobicContact CG-CG2 3.93Å; K215-V264 VanDerWaalsContact O-CG1 3.3Å; K215-V264 WeakPolarHBondContact O-CG1 3.4Å; P218-V264 HydrophobicContact CB-CG2 3.62Å; P218-V264 HydrophobicContact CG-CG2 3.57Å; V264-G266 VanDerWaalsContact C-N 3.25Å; V264-G266 PolarHBondContact O-N 2.83Å; V264-F267 PolarHBondContact N-O 3.41Å; V264-F267 WeakPolarHBondContact O-CA 3.03Å; V264-F267 WeakPolarHBondContact O-CB 3.47Å; V264-F267 WeakPolarHBondContact O-CD2 3.4Å; V264-F267 PolarHBondContact O-N 3.45Å
265E87.1Confident95.2Very high127 Ų12746.5 Ų46.559%0.59327%0.266SS*.THydrogen-bonded Turntrans39.246.9169.9-56.6-162.7160.800115.6A183A183-E265 HydrophobicContact CB-CB 4.03Å; A183-E265 HydrophobicContact CB-CG 4.48Å
266G85.4Confident95.2Very high86 Ų8646.3 Ų46.389%0.88726%0.262SS*.THydrogen-bonded Turntrans95-12.2179.100000115.5V264V264-G266 VanDerWaalsContact C-N 3.25Å; V264-G266 PolarHBondContact O-N 2.83Å
267F90.6Very high95.3Very high70 Ų7045.4 Ų45.431%0.30725%0.252SS..EExtended strand (participates in β ladder)trans-86.2144.6167.7-56.7-68.1000111.8A183 R185 P186 K263 V264A183-F267 HydrophobicContact CB-CD2 4.26Å; A183-F267 HydrophobicContact CB-CE2 3.93Å; R185-F267 HydrophobicContact CB-CD1 4.45Å; R185-F267 HydrophobicContact CB-CG 4.36Å; R185-F267 HydrophobicContact CG-CB 4.36Å; R185-F267 HydrophobicContact CG-CD1 4.41Å; R185-F267 HydrophobicContact CG-CG 4.43Å; P186-F267 HydrophobicContact CG-CB 4.14Å; K263-F267 WeakPolarHBondContact CA-O 3.49Å; V264-F267 PolarHBondContact N-O 3.41Å; V264-F267 WeakPolarHBondContact O-CA 3.03Å; V264-F267 WeakPolarHBondContact O-CB 3.47Å; V264-F267 WeakPolarHBondContact O-CD2 3.4Å; V264-F267 PolarHBondContact O-N 3.45Å
268E95.8Very high95.3Very high78 Ų7842 Ų4236%0.36423%0.232SC..EExtended strand (participates in β ladder)trans-133.6142.2177.2-166.8177.6-136.100110C261 L262 K263 K270C261-E268 VanDerWaalsContact SG-CG 3.56Å; C261-E268 PolarHBondContact SG-OE1 3.3Å; L262-E268 VanDerWaalsContact O-CA 3.3Å; L262-E268 WeakPolarHBondContact O-CA 3.32Å; K263-E268 WeakPolarHBondContact CE-OE1 3.43Å; K263-E268 HydrophobicContact CG-CG 4.22Å; K263-E268 IonicContact NZ-OE1 2.84Å; E268-K270 HydrophobicContact CG-CG 4.33Å; E268-K270 WeakPolarHBondContact OE1-CE 3.35Å; E268-K270 IonicContact OE1-NZ 2.92Å; E268-K270 PolarHBondContact OE1-NZ 2.88Å; E268-K270 WeakPolarHBondContact OE2-CE 3.34Å; E268-K270 IonicContact OE2-NZ 3.3Å; E268-K270 PolarHBondContact OE2-NZ 3.05Å
269D97.2Very high95.2Very high49 Ų4945 Ų4526%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-137.4140.4167.2-170.123.3000109.9P186 K187 I188 C261 L262P186-D269 HydrophobicContact CG-CB 4.41Å; P186-D269 WeakPolarHBondContact O-CB 3.32Å; K187-D269 WeakPolarHBondContact CA-OD2 3.36Å; I188-D269 HydrophobicContact CD1-CB 4.49Å; I188-D269 HydrophobicContact CG1-CB 4.42Å; I188-D269 PolarHBondContact N-OD2 2.8Å; C261-D269 WeakPolarHBondContact CA-O 3.41Å; L262-D269 PolarHBondContact N-O 2.81Å; L262-D269 PolarHBondContact O-N 3.1Å
270K97.2Very high95.1Very high98 Ų9844.6 Ų44.643%0.42625%0.246SC..EExtended strand (participates in β ladder)trans-135.1142.7-172.9-69.7-176.4175.7144.20112M260 C261 E268M260-K270 WeakPolarHBondContact O-CA 3.48Å; C261-K270 HydrophobicContact CB-CD 4.46Å; C261-K270 HydrophobicContact CB-CG 3.88Å; C261-K270 WeakPolarHBondContact SG-CE 3.24Å; E268-K270 HydrophobicContact CG-CG 4.33Å; E268-K270 WeakPolarHBondContact OE1-CE 3.35Å; E268-K270 IonicContact OE1-NZ 2.92Å; E268-K270 PolarHBondContact OE1-NZ 2.88Å; E268-K270 WeakPolarHBondContact OE2-CE 3.34Å; E268-K270 IonicContact OE2-NZ 3.3Å; E268-K270 PolarHBondContact OE2-NZ 3.05Å
271V96.2Very high95.2Very high33 Ų3344.9 Ų44.920%0.225%0.248CC..EExtended strand (participates in β ladder)trans-139.6147.6170.179.50000111.1I188 M190 E259 M260I188-V271 HydrophobicContact CD1-CB 4.14Å; I188-V271 HydrophobicContact CD1-CG1 4.02Å; I188-V271 HydrophobicContact CG2-CB 4.18Å; I188-V271 HydrophobicContact CG2-CG1 3.72Å; M190-V271 HydrophobicContact CB-CG2 4.27Å; M190-V271 HydrophobicContact CE-CG1 4.39Å; M190-V271 HydrophobicContact CE-CG2 4.18Å; M190-V271 HydrophobicContact CG-CG2 4.04Å; M190-V271 HydrophobicContact SD-CG1 3.99Å; M190-V271 HydrophobicContact SD-CG2 4Å; E259-V271 WeakPolarHBondContact CA-O 3.36Å; M260-V271 HydrophobicContact CB-CG1 4.22Å; M260-V271 HydrophobicContact CE-CG1 4.38Å; M260-V271 PolarHBondContact N-O 3.29Å; M260-V271 PolarHBondContact O-N 3.31Å
272S95.9Very high95.2Very high68 Ų6845.5 Ų45.548%0.47626%0.255SS..EExtended strand (participates in β ladder)trans-110.6137.3173.3-58.20000110.7Y258Y258-S272 CarbonylContact O-C 3.58Å; Y258-S272 WeakPolarHBondContact O-CA 3.31Å
273L95.6Very high95.2Very high4 Ų447.7 Ų47.72%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-122142.1172.889.489.8000109.5M190 L208 I210 W222 V257 Y258 L275M190-L273 HydrophobicContact CE-CB 3.47Å; M190-L273 VanDerWaalsContact CE-CB 3.47Å; L208-L273 HydrophobicContact CD1-CD1 3.67Å; L208-L273 HydrophobicContact CD1-CD2 3.8Å; L208-L273 HydrophobicContact CD1-CG 4.44Å; I210-L273 HydrophobicContact CD1-CD2 4.02Å; W222-L273 HydrophobicContact CH2-CD2 3.85Å; W222-L273 HydrophobicContact CZ3-CD2 3.59Å; V257-L273 WeakPolarHBondContact CA-O 3.46Å; Y258-L273 PolarHBondContact N-O 2.95Å; Y258-L273 PolarHBondContact O-N 3.34Å; L273-L275 HydrophobicContact CD1-CB 4.16Å
274T97.1Very high95.3Very high59 Ų5943.1 Ų43.136%0.36225%0.25SC..EExtended strand (participates in β ladder)trans-103.8113.8176.5-57.40000109.7R197 Y198R197-T274 CarbonylContact C-O 3.37Å; R197-T274 WeakPolarHBondContact CA-O 3.32Å; R197-T274 HydrophobicContact CB-CG2 4.32Å; R197-T274 HydrophobicContact CG-CG2 4.03Å; Y198-T274 PolarHBondContact N-O 2.85Å
275L97Very high95.5Very high2 Ų245.2 Ų45.21%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-96.6129.8172.9179.859.6000109.2Y198 V206 I247 D254 S255 G256 Y258 L273 I277Y198-L275 HydrophobicContact CD1-CD1 3.55Å; Y198-L275 HydrophobicContact CE1-CD1 4.29Å; Y198-L275 HydrophobicContact CG-CD1 4.48Å; V206-L275 HydrophobicContact CG1-CD1 4.23Å; V206-L275 HydrophobicContact CG1-CD2 4.42Å; I247-L275 HydrophobicContact CD1-CD2 3.88Å; D254-L275 HydrophobicContact CB-CD2 4.35Å; S255-L275 CarbonylContact C-O 3.52Å; S255-L275 VanDerWaalsContact CA-O 3.3Å; S255-L275 WeakPolarHBondContact CA-O 3.5Å; G256-L275 PolarHBondContact N-O 2.84Å; G256-L275 PolarHBondContact O-N 3.26Å; Y258-L275 HydrophobicContact CD2-CB 4.05Å; Y258-L275 HydrophobicContact CE2-CB 3.84Å; Y258-L275 HydrophobicContact CE2-CD2 3.78Å; Y258-L275 HydrophobicContact CE2-CG 4.41Å; L273-L275 HydrophobicContact CD1-CB 4.16Å; L275-I277 HydrophobicContact CD1-CD1 3.69Å; L275-I277 HydrophobicContact CD2-CD1 4.08Å; L275-I277 HydrophobicContact CG-CD1 3.79Å; L275-I277 HydrophobicContact CG-CG1 4.38Å
276Q97.1Very high95.9Very high19 Ų1941.1 Ų41.19%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-127113174.7-172.3-17224.900109.4R197 Y198 V199 A200 V278 N309R197-Q276 HydrophobicContact CG-CB 3.83Å; R197-Q276 VanDerWaalsContact CZ-OE1 3.32Å; Y198-Q276 PolarHBondContact O-N 2.86Å; V199-Q276 WeakPolarHBondContact CA-O 3.19Å; A200-Q276 PolarHBondContact N-O 2.95Å; A200-Q276 VanDerWaalsContact N-O 3.1Å; Q276-V278 HydrophobicContact CG-CG1 3.8Å; Q276-N309 PolarHBondContact NE2-O 2.84Å
277I97.8Very high96.5Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-92.3122.1174.5-51.1-50.5000108.8A200 V202 V206 A250 E251 D254 S255 L275 N309A200-I277 HydrophobicContact CB-CD1 3.9Å; A200-I277 CarbonylContact O-C 3.44Å; A200-I277 VanDerWaalsContact O-CA 3.25Å; A200-I277 WeakPolarHBondContact O-CA 3.47Å; V202-I277 HydrophobicContact CB-CG2 4.34Å; V202-I277 HydrophobicContact CG2-CG2 3.4Å; V202-I277 VanDerWaalsContact CG2-CG2 3.4Å; V206-I277 HydrophobicContact CG2-CD1 4.14Å; A250-I277 HydrophobicContact CB-CD1 3.77Å; A250-I277 HydrophobicContact CB-CG1 4.1Å; A250-I277 HydrophobicContact CB-CG2 3.85Å; E251-I277 WeakPolarHBondContact O-CG1 3.5Å; D254-I277 HydrophobicContact CB-CG1 3.9Å; S255-I277 PolarHBondContact OG-N 2.77Å; L275-I277 HydrophobicContact CD1-CD1 3.69Å; L275-I277 HydrophobicContact CD2-CD1 4.08Å; L275-I277 HydrophobicContact CG-CD1 3.79Å; L275-I277 HydrophobicContact CG-CG1 4.38Å; I277-N309 WeakPolarHBondContact O-CB 3.22Å; I277-N309 PolarHBondContact O-ND2 3.18Å
278V97.4Very high96.8Very high2 Ų240.6 Ų40.61%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-116.4156.2-172.9-61.70000112V199 A200 Q201 V202 Q276 G308 T310 V360V199-V278 HydrophobicContact CG1-CG1 4.1Å; V199-V278 HydrophobicContact CG1-CG2 3.61Å; A200-V278 WeakPolarHBondContact O-CG2 3.47Å; A200-V278 PolarHBondContact O-N 2.88Å; Q201-V278 CarbonylContact C-O 3.51Å; Q201-V278 VanDerWaalsContact CA-O 3.23Å; Q201-V278 WeakPolarHBondContact CA-O 3.28Å; Q201-V278 HydrophobicContact CG-CG2 4.31Å; V202-V278 PolarHBondContact N-O 3.09Å; Q276-V278 HydrophobicContact CG-CG1 3.8Å; V278-G308 WeakPolarHBondContact CA-O 3.45Å; V278-T310 HydrophobicContact CB-CG2 4.39Å; V278-T310 HydrophobicContact CG1-CG2 4.39Å; V278-V360 HydrophobicContact CB-CG2 3.77Å; V278-V360 HydrophobicContact CG2-CG2 3.33Å
279E96.1Very high96.7Very high64 Ų6438.3 Ų38.330%0.29922%0.217SC..  trans-135.3171.7-179.3-67.8-178143.200109.8V202 G308 N358V202-E279 HydrophobicContact CB-CG 3.67Å; V202-E279 WeakPolarHBondContact CB-OE1 3.16Å; V202-E279 WeakPolarHBondContact CG1-OE1 3.28Å; V202-E279 HydrophobicContact CG2-CG 3.29Å; V202-E279 WeakPolarHBondContact CG2-OE1 3.44Å; E279-G308 PolarHBondContact N-O 2.78Å; E279-N358 PolarHBondContact O-ND2 2.92Å
280L95.9Very high96.3Very high63 Ų6340.1 Ų40.133%0.3323%0.23SC..PPolyproline II helixtrans-61.7146.5165.1-64.2176.4000109.8V360 E364L280-V360 HydrophobicContact CD2-CB 4.15Å; L280-V360 HydrophobicContact CD2-CG1 3.75Å; L280-V360 HydrophobicContact CG-CG1 4.35Å; L280-E364 HydrophobicContact CD1-CG 3.72Å
281P97.8Very high95.6Very high6 Ų639.8 Ų39.84%0.03923%0.233CC..PPolyproline II helixtrans-73159.1177.532.4-30.8000110.1I312 S356 N358 G361 S363P281-I312 HydrophobicContact CB-CD1 3.52Å; P281-I312 HydrophobicContact CG-CD1 4.26Å; P281-S356 VanDerWaalsContact CG-O 3.32Å; P281-S356 WeakPolarHBondContact CG-O 3.33Å; P281-N358 WeakPolarHBondContact CD-ND2 3.3Å; P281-N358 HydrophobicContact CG-CB 4.26Å; P281-G361 WeakPolarHBondContact CD-O 3.5Å; P281-S363 VanDerWaalsContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CB 3.5Å
282G97.2Very high95Very high19 Ų1941.1 Ų41.120%0.19624%0.241CC..PPolyproline II helixtrans-69.5168.4166.400000112.1P304 D306 S356G282-P304 VanDerWaalsContact O-CB 3.23Å; G282-P304 WeakPolarHBondContact O-CB 3.47Å; G282-D306 PolarHBondContact N-O 2.95Å; G282-S356 VanDerWaalsContact O-CB 3.26Å; G282-S356 WeakPolarHBondContact O-CB 3.27Å; G282-S356 PolarHBondContact O-OG 2.75Å
283P97.6Very high94Very high46 Ų4642.9 Ų42.930%0.29924%0.237SC..PPolyproline II helixtrans-65.3156.8171.630.1-35000110.4A285 P304 S365 A367P283-A285 PolarHBondContact O-N 2.84Å; P283-P304 WeakPolarHBondContact O-CA 3.26Å; P283-P304 VanDerWaalsContact O-CB 3.23Å; P283-P304 WeakPolarHBondContact O-CB 3.46Å; P283-S365 WeakPolarHBondContact CD-OG 3.38Å; P283-S365 WeakPolarHBondContact CG-OG 3.17Å; P283-A367 HydrophobicContact CB-CB 4.32Å
284P97.9Very high93.1Very high5 Ų545 Ų453%0.03226%0.259CS..PPolyproline II helixtrans-49.1142.1170.5-2534.1000111.3S286 V287 W301 T302 Y315 V354 S356 A367P284-S286 VanDerWaalsContact C-N 3.27Å; P284-S286 PolarHBondContact O-N 2.68Å; P284-V287 HydrophobicContact CB-CG2 4.16Å; P284-W301 HydrophobicContact CB-CB 4.32Å; P284-T302 CarbonylContact C-O 3.55Å; P284-T302 WeakPolarHBondContact CA-O 2.98Å; P284-T302 WeakPolarHBondContact CB-O 3.3Å; P284-Y315 HydrophobicContact CG-CD1 4.19Å; P284-Y315 HydrophobicContact CG-CE1 4.31Å; P284-V354 WeakPolarHBondContact CD-O 3.16Å; P284-V354 HydrophobicContact CG-CB 3.97Å; P284-V354 HydrophobicContact CG-CG1 3.74Å; P284-V354 WeakPolarHBondContact CG-O 3.22Å; P284-S356 VanDerWaalsContact CD-OG 3.22Å; P284-S356 WeakPolarHBondContact CD-OG 3.38Å; P284-S356 WeakPolarHBondContact CG-OG 3.42Å; P284-A367 HydrophobicContact CB-CB 4Å; P284-A367 HydrophobicContact CG-CB 4.27Å; P284-A367 WeakPolarHBondContact O-CB 3.42Å
285A96.4Very high92.2Very high51 Ų5146.9 Ų46.942%0.42126%0.263SS..SBendtrans-69.5-27.2-172.100000113P283 T302 A303 K305P283-A285 PolarHBondContact O-N 2.84Å; A285-T302 WeakPolarHBondContact CB-OG1 3.21Å; A285-T302 PolarHBondContact N-O 3.37Å; A285-A303 WeakPolarHBondContact CB-O 3.47Å; A285-K305 HydrophobicContact CB-CG 4.15Å
286S95.1Very high91.3Very high41 Ų4148.4 Ų48.429%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-155.6147.4170.966.80000110.4P284 W301 T302P284-S286 VanDerWaalsContact C-N 3.27Å; P284-S286 PolarHBondContact O-N 2.68Å; S286-W301 CarbonylContact O-C 3.51Å; S286-W301 WeakPolarHBondContact O-CA 3.38Å; S286-W301 WeakPolarHBondContact O-CB 3.38Å; S286-T302 PolarHBondContact N-OG1 3.45Å; S286-T302 VanDerWaalsContact N-OG1 3.1Å; S286-T302 PolarHBondContact O-N 3.3Å; S286-T302 PolarHBondContact OG-OG1 3.49Å
287V97.6Very high90.7Very high9 Ų947.5 Ų47.56%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-131129.1172.4-179.50000107.8P284 W301 V354 A367 T369P284-V287 HydrophobicContact CB-CG2 4.16Å; V287-W301 HydrophobicContact CB-CB 4.33Å; V287-W301 HydrophobicContact CG2-CB 3.77Å; V287-V354 HydrophobicContact CG1-CG2 3.79Å; V287-V354 HydrophobicContact CG2-CB 3.8Å; V287-V354 HydrophobicContact CG2-CG2 3.84Å; V287-A367 HydrophobicContact CB-CB 4.38Å; V287-A367 HydrophobicContact CG2-CB 3.42Å; V287-A367 VanDerWaalsContact CG2-CB 3.42Å; V287-T369 HydrophobicContact CG1-CG2 3.71Å
288K96.3Very high90Very high137 Ų13748.2 Ų48.260%0.59627%0.273SS*.EExtended strand (participates in β ladder)trans-135147.4-176.2-60.2179.6-1741750110.9L299 E300K288-L299 WeakPolarHBondContact O-CA 3.22Å; K288-E300 PolarHBondContact N-O 3.24Å; K288-E300 PolarHBondContact O-N 3.45Å
289I94.3Very high89.8Confident30 Ų3048.2 Ų48.215%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-83.5120.8164.5-65.3156.1000106.3T292 V297 A298 L299 F352 T369 E371 A373I289-T292 HydrophobicContact CG2-CG2 3.72Å; I289-V297 HydrophobicContact CB-CG1 4.49Å; I289-V297 HydrophobicContact CG1-CG1 4.07Å; I289-V297 HydrophobicContact CG2-CG1 3.83Å; I289-A298 WeakPolarHBondContact CA-O 3.04Å; I289-L299 HydrophobicContact CB-CD2 4.44Å; I289-L299 HydrophobicContact CG1-CD2 3.64Å; I289-F352 HydrophobicContact CD1-CD2 4.38Å; I289-F352 HydrophobicContact CG1-CD2 4.37Å; I289-T369 HydrophobicContact CD1-CG2 4.29Å; I289-T369 HydrophobicContact CG1-CG2 4.01Å; I289-E371 HydrophobicContact CD1-CB 4.45Å; I289-E371 WeakPolarHBondContact CD1-O 3.32Å; I289-A373 HydrophobicContact CD1-CB 3.86Å
290V89.8Confident89.8Confident86 Ų8650.1 Ų50.152%0.52128%0.282SS..EExtended strand (participates in β ladder)trans-88.3-45-179.4178.90000110.1A298 E300V290-A298 HydrophobicContact CB-CB 4.24Å; V290-A298 PolarHBondContact N-O 3.2Å; V290-E300 HydrophobicContact CG2-CB 3.48Å; V290-E300 VanDerWaalsContact CG2-CB 3.48Å
291D82.4Confident89.9Confident91 Ų9147.2 Ų47.249%0.48727%0.266SS..EExtended strand (participates in β ladder)trans-155.5159.2-178.3-164.914.4000111.2W293 A298D291-W293 HydrophobicContact CB-CE3 4.23Å; D291-W293 HydrophobicContact CB-CZ3 4.23Å; D291-A298 HydrophobicContact CB-CB 4.44Å; D291-A298 PolarHBondContact O-N 3.3Å
292T82Confident89.9Confident61 Ų6149.8 Ų49.837%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-137.3121.7176.563.30000109.8I289 N296 V297 A373I289-T292 HydrophobicContact CG2-CG2 3.72Å; T292-N296 WeakPolarHBondContact CA-O 3.07Å; T292-V297 HydrophobicContact CG2-CG1 4.38Å; T292-V297 HydrophobicContact CG2-CG2 3.94Å; T292-A373 HydrophobicContact CG2-CB 4.03Å
293W76.4Confident89.9Confident106 Ų10651.1 Ų51.140%0.40229%0.292SS..EExtended strand (participates in β ladder)trans-144.2138.8179.470.4100.2000111.1D291 F295 N296 A298 T340D291-W293 HydrophobicContact CB-CE3 4.23Å; D291-W293 HydrophobicContact CB-CZ3 4.23Å; W293-F295 PolarHBondContact O-N 3.44Å; W293-N296 HydrophobicContact CD2-CB 3.95Å; W293-N296 HydrophobicContact CE3-CB 4.39Å; W293-N296 HydrophobicContact CG-CB 4.48Å; W293-N296 HydrophobicContact CH2-CB 4.13Å; W293-N296 HydrophobicContact CZ2-CB 3.67Å; W293-N296 HydrophobicContact CZ3-CB 4.46Å; W293-N296 PolarHBondContact N-O 3.49Å; W293-N296 PolarHBondContact NE1-ND2 3.34Å; W293-N296 VanDerWaalsContact NE1-ND2 3.15Å; W293-N296 WeakPolarHBondContact O-CA 3.47Å; W293-N296 WeakPolarHBondContact O-CB 3.46Å; W293-N296 PolarHBondContact O-N 3.45Å; W293-A298 HydrophobicContact CH2-CB 3.92Å; W293-A298 HydrophobicContact CZ3-CB 3.58Å; W293-T340 HydrophobicContact CH2-CG2 3.5Å; W293-T340 VanDerWaalsContact CH2-CG2 3.5Å; W293-T340 HydrophobicContact CZ2-CG2 3.61Å
294G76.8Confident89.9Confident47 Ų4749.7 Ų49.749%0.48528%0.282SS..THydrogen-bonded Turntrans53.5-113.8-179.400000111.9I375G294-I375 WeakPolarHBondContact O-CG2 3.11Å
295F77Confident89.9Confident99 Ų9959.2 Ų59.243%0.43432%0.323SS..THydrogen-bonded Turntrans-107.216.7178.1-49.9-80.8000112.9W293 S342 D343 L344 M346W293-F295 PolarHBondContact O-N 3.44Å; F295-S342 CarbonylContact O-C 3.44Å; F295-D343 PolarHBondContact O-N 3.4Å; F295-L344 WeakPolarHBondContact CB-O 3.44Å; F295-L344 VanDerWaalsContact CD1-O 3.28Å; F295-L344 WeakPolarHBondContact CD1-O 3.4Å; F295-L344 VanDerWaalsContact O-CB 3.28Å; F295-L344 WeakPolarHBondContact O-CB 3.33Å; F295-L344 WeakPolarHBondContact O-CG 3.32Å; F295-L344 PolarHBondContact O-N 2.85Å; F295-M346 HydrophobicContact CD1-CE 4.02Å; F295-M346 HydrophobicContact CD1-CG 3.74Å; F295-M346 HydrophobicContact CD1-SD 4.31Å; F295-M346 HydrophobicContact CE1-CB 4.28Å; F295-M346 HydrophobicContact CE1-CE 3.31Å; F295-M346 HydrophobicContact CE1-CG 3.38Å; F295-M346 HydrophobicContact CE1-SD 3.41Å; F295-M346 WeakPolarHBondContact CE1-SD 3.36Å; F295-M346 HydrophobicContact CE2-CE 3.94Å; F295-M346 HydrophobicContact CZ-CE 3.25Å; F295-M346 HydrophobicContact CZ-CG 4.31Å; F295-M346 HydrophobicContact CZ-SD 3.78Å
296N79.3Confident89.9Confident34 Ų3459.5 Ų59.518%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-120.4149.2-169.9-55.1-51.9000112T292 W293 T340 I341 S342T292-N296 WeakPolarHBondContact CA-O 3.07Å; W293-N296 HydrophobicContact CD2-CB 3.95Å; W293-N296 HydrophobicContact CE3-CB 4.39Å; W293-N296 HydrophobicContact CG-CB 4.48Å; W293-N296 HydrophobicContact CH2-CB 4.13Å; W293-N296 HydrophobicContact CZ2-CB 3.67Å; W293-N296 HydrophobicContact CZ3-CB 4.46Å; W293-N296 PolarHBondContact N-O 3.49Å; W293-N296 PolarHBondContact NE1-ND2 3.34Å; W293-N296 VanDerWaalsContact NE1-ND2 3.15Å; W293-N296 WeakPolarHBondContact O-CA 3.47Å; W293-N296 WeakPolarHBondContact O-CB 3.46Å; W293-N296 PolarHBondContact O-N 3.45Å; N296-T340 HydrophobicContact CB-CG2 3.97Å; N296-I341 CarbonylContact C-O 3.54Å; N296-I341 VanDerWaalsContact CA-O 3.25Å; N296-I341 WeakPolarHBondContact CA-O 3.49Å; N296-S342 WeakPolarHBondContact OD1-CA 3.43Å; N296-S342 WeakPolarHBondContact OD1-CB 3.12Å; N296-S342 PolarHBondContact OD1-OG 2.77Å
297V83.4Confident89.9Confident0 Ų059.4 Ų59.40%032%0.317CS..EExtended strand (participates in β ladder)trans-129.5123.5170.7173.40000108.6I289 T292 L299 T340 I341 L344 F352 A373 I375I289-V297 HydrophobicContact CB-CG1 4.49Å; I289-V297 HydrophobicContact CG1-CG1 4.07Å; I289-V297 HydrophobicContact CG2-CG1 3.83Å; T292-V297 HydrophobicContact CG2-CG1 4.38Å; T292-V297 HydrophobicContact CG2-CG2 3.94Å; V297-L299 HydrophobicContact CG1-CD2 3.88Å; V297-L299 HydrophobicContact CG1-CG 4.26Å; V297-T340 WeakPolarHBondContact O-CA 3.44Å; V297-I341 PolarHBondContact N-O 3.41Å; V297-I341 PolarHBondContact O-N 2.61Å; V297-L344 HydrophobicContact CB-CD1 3.95Å; V297-L344 HydrophobicContact CG2-CD1 3.35Å; V297-F352 HydrophobicContact CB-CE2 4.14Å; V297-F352 HydrophobicContact CB-CZ 3.92Å; V297-F352 HydrophobicContact CG1-CD2 4.41Å; V297-F352 HydrophobicContact CG1-CE2 3.7Å; V297-F352 HydrophobicContact CG1-CZ 3.97Å; V297-F352 HydrophobicContact CG2-CE2 4.16Å; V297-F352 HydrophobicContact CG2-CZ 4Å; V297-A373 HydrophobicContact CG1-CB 4.2Å; V297-A373 HydrophobicContact CG2-CB 3.52Å; V297-I375 HydrophobicContact CG2-CD1 3.81Å
298A83.7Confident89.8Confident16 Ų1659 Ų5913%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-84.4128.2168.400000110.1I289 V290 D291 W293I289-A298 WeakPolarHBondContact CA-O 3.04Å; V290-A298 HydrophobicContact CB-CB 4.24Å; V290-A298 PolarHBondContact N-O 3.2Å; D291-A298 HydrophobicContact CB-CB 4.44Å; D291-A298 PolarHBondContact O-N 3.3Å; W293-A298 HydrophobicContact CH2-CB 3.92Å; W293-A298 HydrophobicContact CZ3-CB 3.58Å
299L93.2Very high89.7Confident2 Ų254.6 Ų54.61%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-113.6142.7174.6-61.4176.4000110K288 I289 V297 W301 I317 N338 A339 I341 F352 T369K288-L299 WeakPolarHBondContact O-CA 3.22Å; I289-L299 HydrophobicContact CB-CD2 4.44Å; I289-L299 HydrophobicContact CG1-CD2 3.64Å; V297-L299 HydrophobicContact CG1-CD2 3.88Å; V297-L299 HydrophobicContact CG1-CG 4.26Å; L299-W301 HydrophobicContact CB-CE3 4.27Å; L299-W301 HydrophobicContact CB-CZ3 4.06Å; L299-I317 HydrophobicContact CD1-CG2 4.08Å; L299-N338 CarbonylContact O-C 3.54Å; L299-N338 WeakPolarHBondContact O-CA 3.39Å; L299-N338 WeakPolarHBondContact O-CB 3.3Å; L299-A339 PolarHBondContact N-O 2.89Å; L299-A339 PolarHBondContact O-N 2.93Å; L299-I341 HydrophobicContact CD1-CD1 4.46Å; L299-I341 HydrophobicContact CD1-CG1 3.72Å; L299-I341 HydrophobicContact CG-CG1 4.34Å; L299-F352 HydrophobicContact CD1-CB 3.69Å; L299-F352 HydrophobicContact CD1-CD1 3.73Å; L299-F352 HydrophobicContact CD1-CD2 4.31Å; L299-F352 HydrophobicContact CD1-CE1 4.44Å; L299-F352 HydrophobicContact CD1-CG 3.64Å; L299-F352 HydrophobicContact CD2-CB 4.14Å; L299-F352 HydrophobicContact CD2-CD2 3.81Å; L299-F352 HydrophobicContact CD2-CE2 4.41Å; L299-F352 HydrophobicContact CD2-CG 3.96Å; L299-F352 HydrophobicContact CG-CG 4.36Å; L299-T369 HydrophobicContact CD2-CG2 4.14Å
300E96.6Very high89.8Confident103 Ų10353.7 Ų53.748%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-132.5142.3168.9-174.3-179.4171.600109.3K288 V290 L337K288-E300 PolarHBondContact N-O 3.24Å; K288-E300 PolarHBondContact O-N 3.45Å; V290-E300 HydrophobicContact CG2-CB 3.48Å; V290-E300 VanDerWaalsContact CG2-CB 3.48Å; E300-L337 WeakPolarHBondContact CA-O 3.28Å
301W97.9Very high90Very high2 Ų256.8 Ų56.81%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-141.4163.617659.994.3000112P284 S286 V287 L299 Y315 I317 Y334 R336 L337 A339 V354P284-W301 HydrophobicContact CB-CB 4.32Å; S286-W301 CarbonylContact O-C 3.51Å; S286-W301 WeakPolarHBondContact O-CA 3.38Å; S286-W301 WeakPolarHBondContact O-CB 3.38Å; V287-W301 HydrophobicContact CB-CB 4.33Å; V287-W301 HydrophobicContact CG2-CB 3.77Å; L299-W301 HydrophobicContact CB-CE3 4.27Å; L299-W301 HydrophobicContact CB-CZ3 4.06Å; W301-Y315 AromaticContact CD1-CD1 3.93Å; W301-Y315 AromaticContact CD1-CE1 3.88Å; W301-Y315 AromaticContact CE2-CG 3.99Å; W301-Y315 HydrophobicContact CZ2-CD2 4.17Å; W301-Y315 HydrophobicContact CZ2-CG 4.16Å; W301-Y315 AromaticContact NE1-CD1 3.37Å; W301-Y315 AromaticContact NE1-CD2 3.38Å; W301-Y315 AromaticContact NE1-CE1 3.62Å; W301-Y315 AromaticContact NE1-CE2 3.62Å; W301-Y315 AromaticContact NE1-CG 3.28Å; W301-Y315 VanDerWaalsContact NE1-CG 3.28Å; W301-Y315 AromaticContact NE1-CZ 3.75Å; W301-I317 HydrophobicContact CH2-CD1 3.52Å; W301-I317 HydrophobicContact CH2-CG1 3.92Å; W301-I317 HydrophobicContact CZ2-CD1 3.91Å; W301-I317 HydrophobicContact CZ2-CG1 4.32Å; W301-I317 HydrophobicContact CZ3-CD1 4.35Å; W301-I317 HydrophobicContact CZ3-CG1 4.35Å; W301-Y334 AromaticContact CH2-CD1 3.89Å; W301-Y334 HydrophobicContact CH2-CD1 3.89Å; W301-Y334 AromaticContact CH2-CE1 3.83Å; W301-Y334 HydrophobicContact CH2-CE1 3.83Å; W301-Y334 AromaticContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CE1 4.07Å; W301-R336 WeakPolarHBondContact CZ2-O 3.32Å; W301-L337 PolarHBondContact N-O 2.72Å; W301-L337 WeakPolarHBondContact O-CB 3.36Å; W301-A339 HydrophobicContact CH2-CB 3.67Å; W301-A339 HydrophobicContact CZ3-CB 3.85Å; W301-V354 HydrophobicContact CD2-CG1 4.11Å; W301-V354 HydrophobicContact CD2-CG2 4.32Å; W301-V354 HydrophobicContact CE3-CG2 4.19Å; W301-V354 HydrophobicContact CG-CG1 4.24Å; W301-V354 HydrophobicContact CZ2-CG1 4.42Å
302T97.6Very high90.8Very high60 Ų6054.6 Ų54.637%0.36829%0.29SS..EExtended strand (participates in β ladder)trans-108.8145.3175.950.30000110.4P284 A285 S286P284-T302 CarbonylContact C-O 3.55Å; P284-T302 WeakPolarHBondContact CA-O 2.98Å; P284-T302 WeakPolarHBondContact CB-O 3.3Å; A285-T302 WeakPolarHBondContact CB-OG1 3.21Å; A285-T302 PolarHBondContact N-O 3.37Å; S286-T302 PolarHBondContact N-OG1 3.45Å; S286-T302 VanDerWaalsContact N-OG1 3.1Å; S286-T302 PolarHBondContact O-N 3.3Å; S286-T302 PolarHBondContact OG-OG1 3.49Å
303A97.3Very high91.4Very high48 Ų4855.2 Ų55.240%0.39729%0.293SS..  trans-52.4150.4177.400000111.7A285 Y315 L337A285-A303 WeakPolarHBondContact CB-O 3.47Å; A303-Y315 WeakPolarHBondContact CA-OH 3.2Å; A303-L337 HydrophobicContact CB-CD2 4.44Å
304P97.8Very high92.3Very high15 Ų1550.2 Ų50.210%0.09728%0.275CS..  trans-62.6148.118029.3-37.2000110.9G282 P283 D306 I312 S356G282-P304 VanDerWaalsContact O-CB 3.23Å; G282-P304 WeakPolarHBondContact O-CB 3.47Å; P283-P304 WeakPolarHBondContact O-CA 3.26Å; P283-P304 VanDerWaalsContact O-CB 3.23Å; P283-P304 WeakPolarHBondContact O-CB 3.46Å; P304-D306 VanDerWaalsContact C-N 3.25Å; P304-D306 PolarHBondContact O-N 2.87Å; P304-I312 HydrophobicContact CG-CD1 3.54Å; P304-I312 HydrophobicContact CG-CG1 3.77Å; P304-S356 WeakPolarHBondContact CD-OG 3.28Å; P304-S356 WeakPolarHBondContact CG-OG 3.37Å
305K96.3Very high93.3Very high206 Ų20648.6 Ų48.690%0.89625%0.254SS*.SBendtrans-65.9-33.3174.9-69.1-175.7-179.9179.20112A285A285-K305 HydrophobicContact CB-CG 4.15Å
306D96.3Very high94.2Very high57 Ų5744.3 Ų44.331%0.30524%0.236SC..  trans-118.4121.1175.6-167.71.2000110.1R252 G282 P304 G308R252-D306 IonicContact CZ-OD1 3.79Å; R252-D306 VanDerWaalsContact CZ-OD1 3.3Å; R252-D306 IonicContact CZ-OD2 3.28Å; R252-D306 IonicContact NH1-OD1 2.71Å; R252-D306 PolarHBondContact NH1-OD1 2.84Å; R252-D306 IonicContact NH1-OD2 2.84Å; R252-D306 PolarHBondContact NH1-OD2 2.85Å; R252-D306 IonicContact NH2-OD1 2.88Å; R252-D306 PolarHBondContact NH2-OD1 3.13Å; G282-D306 PolarHBondContact N-O 2.95Å; P304-D306 VanDerWaalsContact C-N 3.25Å; P304-D306 PolarHBondContact O-N 2.87Å; D306-G308 PolarHBondContact OD1-N 3.48Å; D306-G308 VanDerWaalsContact OD1-N 3.09Å
307S95.9Very high95Very high39 Ų3942.7 Ų42.727%0.27323%0.227SC..  trans-93.85.8-179.769.90000113.8T310 N358S307-T310 WeakPolarHBondContact CB-O 3.5Å; S307-T310 PolarHBondContact OG-O 2.92Å; S307-N358 PolarHBondContact O-ND2 2.91Å
308G95.1Very high95.6Very high0 Ų043.9 Ų43.90%023%0.233CC..THydrogen-bonded Turntrans71.833.8-177.400000112.5V278 E279 D306 T310V278-G308 WeakPolarHBondContact CA-O 3.45Å; E279-G308 PolarHBondContact N-O 2.78Å; D306-G308 PolarHBondContact OD1-N 3.48Å; D306-G308 VanDerWaalsContact OD1-N 3.09Å; G308-T310 PolarHBondContact O-N 2.83Å
309N95.3Very high96Very high44 Ų4445.4 Ų45.424%0.23524%0.237CC..THydrogen-bonded Turntrans56.927.5-177.6-16232000114.9R252 S255 Q276 I277R252-N309 HydrophobicContact CG-CB 4.3Å; S255-N309 PolarHBondContact OG-ND2 2.87Å; Q276-N309 PolarHBondContact NE2-O 2.84Å; I277-N309 WeakPolarHBondContact O-CB 3.22Å; I277-N309 PolarHBondContact O-ND2 3.18Å
310T95.4Very high95.9Very high12 Ų1245.6 Ų45.67%0.07424%0.239CC..SBendtrans-146.7168.9173.6-177.20000109.3V278 S307 G308 N358 K359V278-T310 HydrophobicContact CB-CG2 4.39Å; V278-T310 HydrophobicContact CG1-CG2 4.39Å; S307-T310 WeakPolarHBondContact CB-O 3.5Å; S307-T310 PolarHBondContact OG-O 2.92Å; G308-T310 PolarHBondContact O-N 2.83Å; T310-N358 HydrophobicContact CG2-CB 3.55Å; T310-N358 WeakPolarHBondContact CG2-ND2 3.14Å; T310-K359 HydrophobicContact CG2-CG 4.12Å; T310-K359 WeakPolarHBondContact OG1-CD 3.37Å; T310-K359 VanDerWaalsContact OG1-CE 3.25Å; T310-K359 WeakPolarHBondContact OG1-CE 3.45Å
311E95.1Very high95.4Very high151 Ų15141.6 Ų41.671%0.70622%0.221SC*.  trans-69.7148177.567.8-166.3163.900112.3T313 N358E311-T313 HydrophobicContact CG-CG2 4.39Å; E311-N358 WeakPolarHBondContact O-CB 3.4Å
312I97.6Very high94.9Very high45 Ų4547.6 Ų47.623%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-76.3123.7170.1-60.6-56.4000108.1P281 P304 G314 Y315 E357 N358P281-I312 HydrophobicContact CB-CD1 3.52Å; P281-I312 HydrophobicContact CG-CD1 4.26Å; P304-I312 HydrophobicContact CG-CD1 3.54Å; P304-I312 HydrophobicContact CG-CG1 3.77Å; I312-G314 WeakPolarHBondContact CG2-O 3.25Å; I312-Y315 HydrophobicContact CG2-CE1 4.15Å; I312-Y315 HydrophobicContact CG2-CE2 4.19Å; I312-E357 CarbonylContact C-O 3.53Å; I312-E357 VanDerWaalsContact CA-O 3.31Å; I312-E357 WeakPolarHBondContact CA-O 3.15Å; I312-E357 WeakPolarHBondContact CG2-O 3.47Å; I312-N358 HydrophobicContact CD1-CB 4.43Å
313T95.9Very high94.2Very high73 Ų7352.2 Ų52.245%0.44826%0.262SS..EExtended strand (participates in β ladder)trans-96.6-20.7-177.552.70000112.3E311 E357 N358E311-T313 HydrophobicContact CG-CG2 4.39Å; T313-E357 PolarHBondContact N-O 3.34Å; T313-E357 PolarHBondContact OG1-O 3.13Å; T313-N358 WeakPolarHBondContact OG1-CA 3.4Å
314G95.7Very high93.7Very high1 Ų153.9 Ų53.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans177.5-168.9178.700000114I312 Y334 E357I312-G314 WeakPolarHBondContact CG2-O 3.25Å; G314-Y334 CarbonylContact C-O 3.56Å; G314-Y334 VanDerWaalsContact CA-O 3.24Å; G314-Y334 WeakPolarHBondContact CA-O 3.15Å; G314-E357 PolarHBondContact N-O 3.47Å; G314-E357 WeakPolarHBondContact O-CB 3.15Å; G314-E357 PolarHBondContact O-N 2.92Å
315Y97.4Very high93Very high13 Ų1355.3 Ų55.35%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-140.6141.7179.6-59.5-81.9000110.4P284 W301 A303 I312 H333 Y334 R336 L337 V354 F355P284-Y315 HydrophobicContact CG-CD1 4.19Å; P284-Y315 HydrophobicContact CG-CE1 4.31Å; W301-Y315 AromaticContact CD1-CD1 3.93Å; W301-Y315 AromaticContact CD1-CE1 3.88Å; W301-Y315 AromaticContact CE2-CG 3.99Å; W301-Y315 HydrophobicContact CZ2-CD2 4.17Å; W301-Y315 HydrophobicContact CZ2-CG 4.16Å; W301-Y315 AromaticContact NE1-CD1 3.37Å; W301-Y315 AromaticContact NE1-CD2 3.38Å; W301-Y315 AromaticContact NE1-CE1 3.62Å; W301-Y315 AromaticContact NE1-CE2 3.62Å; W301-Y315 AromaticContact NE1-CG 3.28Å; W301-Y315 VanDerWaalsContact NE1-CG 3.28Å; W301-Y315 AromaticContact NE1-CZ 3.75Å; A303-Y315 WeakPolarHBondContact CA-OH 3.2Å; I312-Y315 HydrophobicContact CG2-CE1 4.15Å; I312-Y315 HydrophobicContact CG2-CE2 4.19Å; Y315-H333 PolarHBondContact O-N 3.08Å; Y315-Y334 WeakPolarHBondContact CD2-O 3.07Å; Y315-Y334 PolarHBondContact N-O 2.83Å; Y315-Y334 WeakPolarHBondContact O-CB 3.37Å; Y315-Y334 PolarHBondContact O-N 3.4Å; Y315-R336 WeakPolarHBondContact CD2-O 3.44Å; Y315-L337 HydrophobicContact CE1-CD2 4.5Å; Y315-L337 HydrophobicContact CE2-CD2 3.64Å; Y315-L337 WeakPolarHBondContact OH-CD2 3.23Å; Y315-V354 HydrophobicContact CD1-CG1 4.09Å; Y315-V354 HydrophobicContact CG-CG1 4.36Å; Y315-F355 WeakPolarHBondContact CA-O 3.34Å; Y315-F355 WeakPolarHBondContact CB-O 3.09Å; Y315-F355 WeakPolarHBondContact CD1-O 3.34Å
316T95.3Very high92.4Very high9 Ų950.1 Ų50.16%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-106.9125.6169.9-78.80000108.9Q318 T329 L331 E332 V354 F355 E357 M362T316-Q318 HydrophobicContact CG2-CG 4.21Å; T316-T329 HydrophobicContact CG2-CG2 3.92Å; T316-L331 CarbonylContact C-O 3.57Å; T316-L331 WeakPolarHBondContact CA-O 3.37Å; T316-E332 HydrophobicContact CG2-CG 4.49Å; T316-V354 CarbonylContact O-C 3.54Å; T316-V354 WeakPolarHBondContact O-CA 3.23Å; T316-F355 HydrophobicContact CG2-CD2 4.36Å; T316-F355 PolarHBondContact N-O 2.83Å; T316-F355 PolarHBondContact O-N 2.83Å; T316-E357 WeakPolarHBondContact CB-OE1 3.44Å; T316-E357 PolarHBondContact N-OE1 2.83Å; T316-E357 VanDerWaalsContact N-OE1 3.09Å; T316-E357 PolarHBondContact OG1-OE1 2.87Å; T316-M362 HydrophobicContact CG2-SD 4.17Å
317I97.1Very high92.1Very high0 Ų051.1 Ų51.10%027%0.266CS..EExtended strand (participates in β ladder)trans-110.8130.4-179.2-57.9115.8000109.2L299 W301 V330 L331 Y334 A339 I341 V354L299-I317 HydrophobicContact CD1-CG2 4.08Å; W301-I317 HydrophobicContact CH2-CD1 3.52Å; W301-I317 HydrophobicContact CH2-CG1 3.92Å; W301-I317 HydrophobicContact CZ2-CD1 3.91Å; W301-I317 HydrophobicContact CZ2-CG1 4.32Å; W301-I317 HydrophobicContact CZ3-CD1 4.35Å; W301-I317 HydrophobicContact CZ3-CG1 4.35Å; I317-V330 PolarHBondContact O-N 2.59Å; I317-L331 HydrophobicContact CB-CB 4.3Å; I317-L331 HydrophobicContact CD1-CB 3.7Å; I317-L331 HydrophobicContact CD1-CD1 3.84Å; I317-L331 HydrophobicContact CD1-CG 4.38Å; I317-L331 PolarHBondContact N-O 3.4Å; I317-L331 PolarHBondContact O-N 2.98Å; I317-Y334 HydrophobicContact CD1-CD1 3.95Å; I317-Y334 HydrophobicContact CD1-CG 4.2Å; I317-A339 HydrophobicContact CD1-CB 4.46Å; I317-I341 HydrophobicContact CG2-CD1 4.11Å; I317-V354 HydrophobicContact CG1-CG1 4.06Å; I317-V354 HydrophobicContact CG1-CG2 3.91Å; I317-V354 HydrophobicContact CG2-CG2 4.3Å
318Q94.6Very high91.5Very high25 Ų2554.9 Ų54.912%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-123.7149.8175.6-52.4-168.8-36.400111.1T316 W327 F328 T329 F352 R353 F355T316-Q318 HydrophobicContact CG2-CG 4.21Å; Q318-W327 HydrophobicContact CB-CE3 4Å; Q318-F328 CarbonylContact C-O 3.46Å; Q318-F328 WeakPolarHBondContact CA-O 3.38Å; Q318-F328 WeakPolarHBondContact CB-O 3.34Å; Q318-T329 PolarHBondContact NE2-OG1 3.33Å; Q318-F352 WeakPolarHBondContact O-CA 3.07Å; Q318-R353 HydrophobicContact CB-CG 4Å; Q318-R353 PolarHBondContact N-O 2.91Å; Q318-R353 PolarHBondContact O-N 2.83Å; Q318-F355 HydrophobicContact CG-CE2 4.15Å
319K93.3Very high91.2Very high48 Ų4857.7 Ų57.721%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-117149.1174.271.7176.5-178.6166.90110.7W327 F328 V330 L344 Y350 K351 F352K319-W327 CarbonylContact O-C 3.56Å; K319-W327 WeakPolarHBondContact O-CA 3.32Å; K319-F328 PolarHBondContact N-O 3.17Å; K319-F328 PolarHBondContact O-N 3.4Å; K319-V330 HydrophobicContact CB-CG2 3.91Å; K319-V330 HydrophobicContact CD-CG2 3.78Å; K319-V330 HydrophobicContact CG-CG2 3.55Å; K319-L344 HydrophobicContact CD-CD2 3.82Å; K319-Y350 HydrophobicContact CD-CD1 4.39Å; K319-Y350 HydrophobicContact CD-CE1 4.43Å; K319-K351 CarbonylContact C-O 3.59Å; K319-K351 WeakPolarHBondContact CA-O 3.37Å; K319-F352 HydrophobicContact CB-CD1 3.77Å; K319-F352 HydrophobicContact CB-CE1 3.72Å
320A91.4Very high90.8Very high7 Ų758.1 Ų58.16%0.05830%0.299CS..EExtended strand (participates in β ladder)trans-130.7129.5168.600000110D326 W327 Y350 K351A320-D326 VanDerWaalsContact CA-O 3.28Å; A320-D326 WeakPolarHBondContact CA-O 3.23Å; A320-D326 WeakPolarHBondContact CB-O 3.25Å; A320-W327 HydrophobicContact CB-CD2 3.64Å; A320-W327 HydrophobicContact CB-CE3 3.66Å; A320-W327 HydrophobicContact CB-CG 4.17Å; A320-W327 HydrophobicContact CB-CH2 4.14Å; A320-W327 HydrophobicContact CB-CZ2 4.12Å; A320-W327 HydrophobicContact CB-CZ3 3.9Å; A320-Y350 CarbonylContact O-C 3.58Å; A320-Y350 VanDerWaalsContact O-CA 3.29Å; A320-Y350 WeakPolarHBondContact O-CA 3.38Å; A320-K351 PolarHBondContact N-O 2.97Å; A320-K351 PolarHBondContact O-N 2.89Å
321D85.4Confident90.2Very high18 Ų1860.1 Ų60.110%0.09631%0.309CS..EExtended strand (participates in β ladder)trans-74.7133.3169.3-169.9-51.5000108.7K323 T324 G325 N348 Y350D321-K323 PolarHBondContact O-N 3.01Å; D321-K323 WeakPolarHBondContact OD1-CB 3.4Å; D321-K323 PolarHBondContact OD1-N 3.26Å; D321-T324 PolarHBondContact O-N 3.38Å; D321-G325 WeakPolarHBondContact O-CA 3.4Å; D321-G325 PolarHBondContact O-N 3.27Å; D321-N348 WeakPolarHBondContact OD2-CB 3.46Å; D321-N348 VanDerWaalsContact OD2-CG 3.29Å; D321-N348 PolarHBondContact OD2-ND2 2.88Å; D321-Y350 HydrophobicContact CB-CD1 4.18Å; D321-Y350 HydrophobicContact CB-CE1 3.86Å
322K86.9Confident90Very high128 Ų12858.8 Ų58.856%0.55730%0.303SS*.THydrogen-bonded Turntrans-58.4-28.8179.3-174174.3-172.1164.10113T349 E372K322-T349 HydrophobicContact CB-CG2 4.27Å; K322-T349 VanDerWaalsContact CB-O 3.27Å; K322-T349 WeakPolarHBondContact CB-O 3.36Å; K322-T349 HydrophobicContact CD-CG2 3.89Å; K322-T349 PolarHBondContact N-O 2.82Å; K322-E372 WeakPolarHBondContact CD-OE2 3.34Å; K322-E372 WeakPolarHBondContact CE-OE2 3.3Å; K322-E372 IonicContact NZ-OE1 2.67Å; K322-E372 IonicContact NZ-OE2 3.5Å; K322-E372 PolarHBondContact NZ-OE2 2.8Å
323K84Confident89.7Confident157 Ų15763.2 Ų63.268%0.68332%0.322SS*.THydrogen-bonded Turntrans-73.8-43179-66173.7179.1168.30112.1D321 N348D321-K323 PolarHBondContact O-N 3.01Å; D321-K323 WeakPolarHBondContact OD1-CB 3.4Å; D321-K323 PolarHBondContact OD1-N 3.26Å; K323-N348 PolarHBondContact NZ-OD1 3.1Å
324T85.7Confident89.5Confident83 Ų8362 Ų6251%0.50931%0.31SS..THydrogen-bonded Turntrans-88.8-37.5-177.1640000111.9D321 D326D321-T324 PolarHBondContact O-N 3.38Å; T324-D326 PolarHBondContact O-N 3.27Å; T324-D326 PolarHBondContact OG1-N 3.43Å
325G83.3Confident89.3Confident45 Ų4568.5 Ų68.546%0.46434%0.34SS..  trans77.6-9.3-174.800000114.3D321D321-G325 WeakPolarHBondContact O-CA 3.4Å; D321-G325 PolarHBondContact O-N 3.27Å
326D84.6Confident89.1Confident97 Ų9774.6 Ų74.652%0.51936%0.363SS..  trans-76.7135.6-177.3-63.9-43.9000112.1A320 T324 F328A320-D326 VanDerWaalsContact CA-O 3.28Å; A320-D326 WeakPolarHBondContact CA-O 3.23Å; A320-D326 WeakPolarHBondContact CB-O 3.25Å; T324-D326 PolarHBondContact O-N 3.27Å; T324-D326 PolarHBondContact OG1-N 3.43Å; D326-F328 HydrophobicContact CB-CD2 4.45Å; D326-F328 HydrophobicContact CB-CE2 3.6Å; D326-F328 HydrophobicContact CB-CZ 3.88Å; D326-F328 WeakPolarHBondContact O-CD2 3.35Å
327W89.3Confident89Confident79 Ų7977.7 Ų77.730%0.29938%0.378SS..EExtended strand (participates in β ladder)trans-89.5128.4177.5-69.194.5000111.2Q318 K319 A320 K351 R353 V368Q318-W327 HydrophobicContact CB-CE3 4Å; K319-W327 CarbonylContact O-C 3.56Å; K319-W327 WeakPolarHBondContact O-CA 3.32Å; A320-W327 HydrophobicContact CB-CD2 3.64Å; A320-W327 HydrophobicContact CB-CE3 3.66Å; A320-W327 HydrophobicContact CB-CG 4.17Å; A320-W327 HydrophobicContact CB-CH2 4.14Å; A320-W327 HydrophobicContact CB-CZ2 4.12Å; A320-W327 HydrophobicContact CB-CZ3 3.9Å; W327-K351 HydrophobicContact CH2-CB 3.88Å; W327-R353 HydrophobicContact CD2-CG 4.18Å; W327-R353 HydrophobicContact CE3-CB 4.35Å; W327-R353 HydrophobicContact CE3-CG 3.61Å; W327-R353 VanDerWaalsContact CG-CZ 3.46Å; W327-R353 HydrophobicContact CH2-CB 3.78Å; W327-R353 HydrophobicContact CH2-CG 3.92Å; W327-R353 HydrophobicContact CZ2-CG 4.46Å; W327-R353 HydrophobicContact CZ3-CB 3.71Å; W327-R353 HydrophobicContact CZ3-CG 3.48Å; W327-R353 VanDerWaalsContact CZ3-CG 3.48Å; W327-V368 HydrophobicContact CH2-CG1 4.14Å
328F83.8Confident88.8Confident118 Ų11881.8 Ų81.852%0.51840%0.4SS..EExtended strand (participates in β ladder)trans-122135.7175.6-62.1-85.3000110.6Q318 K319 D326Q318-F328 CarbonylContact C-O 3.46Å; Q318-F328 WeakPolarHBondContact CA-O 3.38Å; Q318-F328 WeakPolarHBondContact CB-O 3.34Å; K319-F328 PolarHBondContact N-O 3.17Å; K319-F328 PolarHBondContact O-N 3.4Å; D326-F328 HydrophobicContact CB-CD2 4.45Å; D326-F328 HydrophobicContact CB-CE2 3.6Å; D326-F328 HydrophobicContact CB-CZ 3.88Å; D326-F328 WeakPolarHBondContact O-CD2 3.35Å
329T88.4Confident88.4Confident59 Ų5980.8 Ų80.836%0.36240%0.396SS..EExtended strand (participates in β ladder)trans-70.6132.3173.2-53.90000111.1T316 Q318 E332T316-T329 HydrophobicContact CG2-CG2 3.92Å; Q318-T329 PolarHBondContact NE2-OG1 3.33Å; T329-E332 HydrophobicContact CG2-CG 3.34Å
330V86.9Confident88Confident53 Ų5382 Ų8232%0.32141%0.408SS..EExtended strand (participates in β ladder)trans-110.9-38.4178.7-168.50000111.1I317 K319 I341I317-V330 PolarHBondContact O-N 2.59Å; K319-V330 HydrophobicContact CB-CG2 3.91Å; K319-V330 HydrophobicContact CD-CG2 3.78Å; K319-V330 HydrophobicContact CG-CG2 3.55Å; V330-I341 HydrophobicContact CB-CD1 4.37Å; V330-I341 HydrophobicContact CG1-CD1 4.01Å; V330-I341 HydrophobicContact CG1-CG2 3.99Å; V330-I341 HydrophobicContact CG2-CG2 4.49Å
331L83.3Confident87.8Confident53 Ų5381.7 Ų81.728%0.27741%0.405SS..EExtended strand (participates in β ladder)trans-139.4139.9178.1-67.8172.8000109.1T316 I317 Y334 A339 I341T316-L331 CarbonylContact C-O 3.57Å; T316-L331 WeakPolarHBondContact CA-O 3.37Å; I317-L331 HydrophobicContact CB-CB 4.3Å; I317-L331 HydrophobicContact CD1-CB 3.7Å; I317-L331 HydrophobicContact CD1-CD1 3.84Å; I317-L331 HydrophobicContact CD1-CG 4.38Å; I317-L331 PolarHBondContact N-O 3.4Å; I317-L331 PolarHBondContact O-N 2.98Å; L331-Y334 HydrophobicContact CD1-CD2 4.12Å; L331-Y334 HydrophobicContact CD1-CE2 4.28Å; L331-Y334 HydrophobicContact CD1-CG 4.32Å; L331-A339 HydrophobicContact CD1-CB 3.81Å; L331-I341 HydrophobicContact CD1-CD1 4.1Å
332E91.2Very high87.6Confident124 Ų12483.2 Ų83.258%0.57942%0.417SS*.EExtended strand (participates in β ladder)trans-126.1149.4177.4-66.1-178.1158.400109.3T316 T329 Y334T316-E332 HydrophobicContact CG2-CG 4.49Å; T329-E332 HydrophobicContact CG2-CG 3.34Å; E332-Y334 PolarHBondContact O-N 2.68Å
333H90.9Very high87.1Confident138 Ų13883.9 Ų83.964%0.63943%0.427SS*.EExtended strand (participates in β ladder)trans5331.2176.8-50.8-50.8000113.5Y315 E357Y315-H333 PolarHBondContact O-N 3.08Å; H333-E357 IonicContact CE1-OE2 2.74Å; H333-E357 IonicContact CG-OE2 3.96Å; H333-E357 PolarHBondContact N-OE1 2.84Å; H333-E357 IonicContact ND1-OE1 3.15Å; H333-E357 IonicContact ND1-OE2 3.57Å; H333-E357 PolarHBondContact ND1-OE2 2.9Å
334Y90.4Very high87Confident47 Ų4776.5 Ų76.518%0.18440%0.395CS..EExtended strand (participates in β ladder)trans-81.4128.1-172.4-175-103000110.7W301 G314 Y315 I317 L331 E332 R336 N338 A339W301-Y334 AromaticContact CH2-CD1 3.89Å; W301-Y334 HydrophobicContact CH2-CD1 3.89Å; W301-Y334 AromaticContact CH2-CE1 3.83Å; W301-Y334 HydrophobicContact CH2-CE1 3.83Å; W301-Y334 AromaticContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CD1 3.83Å; W301-Y334 HydrophobicContact CZ2-CE1 4.07Å; G314-Y334 CarbonylContact C-O 3.56Å; G314-Y334 VanDerWaalsContact CA-O 3.24Å; G314-Y334 WeakPolarHBondContact CA-O 3.15Å; Y315-Y334 WeakPolarHBondContact CD2-O 3.07Å; Y315-Y334 PolarHBondContact N-O 2.83Å; Y315-Y334 WeakPolarHBondContact O-CB 3.37Å; Y315-Y334 PolarHBondContact O-N 3.4Å; I317-Y334 HydrophobicContact CD1-CD1 3.95Å; I317-Y334 HydrophobicContact CD1-CG 4.2Å; L331-Y334 HydrophobicContact CD1-CD2 4.12Å; L331-Y334 HydrophobicContact CD1-CE2 4.28Å; L331-Y334 HydrophobicContact CD1-CG 4.32Å; E332-Y334 PolarHBondContact O-N 2.68Å; Y334-R336 HydrophobicContact CD1-CB 4.33Å; Y334-R336 HydrophobicContact CE1-CB 3.53Å; Y334-R336 HydrophobicContact CE1-CG 4.24Å; Y334-N338 WeakPolarHBondContact CE1-O 3.42Å; Y334-N338 VanDerWaalsContact CZ-O 3.32Å; Y334-N338 PolarHBondContact OH-O 2.78Å; Y334-A339 HydrophobicContact CE1-CB 3.9Å
335H92.9Very high86.7Confident137 Ų13777.5 Ų77.563%0.63440%0.396SS*.  trans-95.3-5.2-166.660.5-87000114.8
336R91.8Very high86.4Confident142 Ų14279.1 Ų79.154%0.53639%0.393SS..SBendtrans-98.1165.7179.8-50.6-175.3176.9-168.7-1.4111.2W301 Y315 Y334W301-R336 WeakPolarHBondContact CZ2-O 3.32Å; Y315-R336 WeakPolarHBondContact CD2-O 3.44Å; Y334-R336 HydrophobicContact CD1-CB 4.33Å; Y334-R336 HydrophobicContact CE1-CB 3.53Å; Y334-R336 HydrophobicContact CE1-CG 4.24Å
337L94.2Very high86.1Confident73 Ų7376.3 Ų76.338%0.38239%0.386SS..SBendtrans-96.44.5177-69.9175.9000113.6E300 W301 A303 Y315E300-L337 WeakPolarHBondContact CA-O 3.28Å; W301-L337 PolarHBondContact N-O 2.72Å; W301-L337 WeakPolarHBondContact O-CB 3.36Å; A303-L337 HydrophobicContact CB-CD2 4.44Å; Y315-L337 HydrophobicContact CE1-CD2 4.5Å; Y315-L337 HydrophobicContact CE2-CD2 3.64Å; Y315-L337 WeakPolarHBondContact OH-CD2 3.23Å
338N93.7Very high85.8Confident86 Ų8673.3 Ų73.346%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-140.9147.3173.858.156.7000110.2L299 Y334L299-N338 CarbonylContact O-C 3.54Å; L299-N338 WeakPolarHBondContact O-CA 3.39Å; L299-N338 WeakPolarHBondContact O-CB 3.3Å; Y334-N338 WeakPolarHBondContact CE1-O 3.42Å; Y334-N338 VanDerWaalsContact CZ-O 3.32Å; Y334-N338 PolarHBondContact OH-O 2.78Å
339A84.9Confident86.2Confident4 Ų468.8 Ų68.83%0.03336%0.358CS..EExtended strand (participates in β ladder)trans-146.2146.8175.700000110.5L299 W301 I317 L331 Y334 I341L299-A339 PolarHBondContact N-O 2.89Å; L299-A339 PolarHBondContact O-N 2.93Å; W301-A339 HydrophobicContact CH2-CB 3.67Å; W301-A339 HydrophobicContact CZ3-CB 3.85Å; I317-A339 HydrophobicContact CD1-CB 4.46Å; L331-A339 HydrophobicContact CD1-CB 3.81Å; Y334-A339 HydrophobicContact CE1-CB 3.9Å; A339-I341 HydrophobicContact CB-CD1 4.37Å
340T85.6Confident86.4Confident73 Ų7366.3 Ų66.345%0.44834%0.342SS..EExtended strand (participates in β ladder)trans-99.3121.6166.2-61.70000108.1W293 N296 V297W293-T340 HydrophobicContact CH2-CG2 3.5Å; W293-T340 VanDerWaalsContact CH2-CG2 3.5Å; W293-T340 HydrophobicContact CZ2-CG2 3.61Å; N296-T340 HydrophobicContact CB-CG2 3.97Å; V297-T340 WeakPolarHBondContact O-CA 3.44Å
341I86.5Confident86.8Confident2 Ų267.9 Ų67.91%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-96.1115.8174.9-53-54.4000108.3N296 V297 L299 I317 V330 L331 A339 L344 F352N296-I341 CarbonylContact C-O 3.54Å; N296-I341 VanDerWaalsContact CA-O 3.25Å; N296-I341 WeakPolarHBondContact CA-O 3.49Å; V297-I341 PolarHBondContact N-O 3.41Å; V297-I341 PolarHBondContact O-N 2.61Å; L299-I341 HydrophobicContact CD1-CD1 4.46Å; L299-I341 HydrophobicContact CD1-CG1 3.72Å; L299-I341 HydrophobicContact CG-CG1 4.34Å; I317-I341 HydrophobicContact CG2-CD1 4.11Å; V330-I341 HydrophobicContact CB-CD1 4.37Å; V330-I341 HydrophobicContact CG1-CD1 4.01Å; V330-I341 HydrophobicContact CG1-CG2 3.99Å; V330-I341 HydrophobicContact CG2-CG2 4.49Å; L331-I341 HydrophobicContact CD1-CD1 4.1Å; A339-I341 HydrophobicContact CB-CD1 4.37Å; I341-L344 HydrophobicContact CG2-CD2 4.1Å; I341-L344 HydrophobicContact CG2-CG 4.49Å; I341-F352 HydrophobicContact CB-CE1 4.03Å; I341-F352 HydrophobicContact CG1-CD1 4.27Å; I341-F352 HydrophobicContact CG1-CE1 4.02Å; I341-F352 HydrophobicContact CG2-CE1 3.88Å
342S81.6Confident87.4Confident50 Ų5065.3 Ų65.335%0.3533%0.331SS..  trans-102.7179.5-175.6-650000112.8F295 N296 L344F295-S342 CarbonylContact O-C 3.44Å; N296-S342 WeakPolarHBondContact OD1-CA 3.43Å; N296-S342 WeakPolarHBondContact OD1-CB 3.12Å; N296-S342 PolarHBondContact OD1-OG 2.77Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 2.91Å
343D77.1Confident87.7Confident141 Ų14162.5 Ų62.575%0.75432%0.315SS*.  trans57.436.8174.7-51.8-42.5000113.8F295F295-D343 PolarHBondContact O-N 3.4Å
344L80.4Confident88.1Confident2 Ų256 Ų561%0.0129%0.285CS..PPolyproline II helixtrans-84.7140.1175-58.1176.8000110.9F295 V297 K319 I341 S342 M346 Y350 F352 I375F295-L344 WeakPolarHBondContact CB-O 3.44Å; F295-L344 VanDerWaalsContact CD1-O 3.28Å; F295-L344 WeakPolarHBondContact CD1-O 3.4Å; F295-L344 VanDerWaalsContact O-CB 3.28Å; F295-L344 WeakPolarHBondContact O-CB 3.33Å; F295-L344 WeakPolarHBondContact O-CG 3.32Å; F295-L344 PolarHBondContact O-N 2.85Å; V297-L344 HydrophobicContact CB-CD1 3.95Å; V297-L344 HydrophobicContact CG2-CD1 3.35Å; K319-L344 HydrophobicContact CD-CD2 3.82Å; I341-L344 HydrophobicContact CG2-CD2 4.1Å; I341-L344 HydrophobicContact CG2-CG 4.49Å; S342-L344 VanDerWaalsContact C-N 3.27Å; S342-L344 PolarHBondContact O-N 2.91Å; L344-M346 PolarHBondContact O-N 3.38Å; L344-Y350 HydrophobicContact CB-CD2 4.25Å; L344-Y350 HydrophobicContact CB-CE2 3.78Å; L344-Y350 HydrophobicContact CD1-CD2 4.24Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CD2 4.15Å; L344-Y350 HydrophobicContact CD2-CE1 4.09Å; L344-Y350 HydrophobicContact CD2-CE2 4.06Å; L344-Y350 HydrophobicContact CD2-CG 4.23Å; L344-Y350 HydrophobicContact CG-CD2 4.46Å; L344-Y350 HydrophobicContact CG-CE2 4.36Å; L344-F352 HydrophobicContact CD1-CZ 4.03Å; L344-I375 HydrophobicContact CB-CD1 4.18Å; L344-I375 HydrophobicContact CB-CG1 3.99Å; L344-I375 HydrophobicContact CD1-CD1 3.85Å; L344-I375 HydrophobicContact CD1-CG1 4.43Å
345I79.3Confident88.5Confident105 Ų10554.4 Ų54.454%0.53828%0.279SS..PPolyproline II helixtrans-74.2127.8-176.5-58.9169.3000110.8N348 Y350I345-N348 HydrophobicContact CB-CB 4.41Å; I345-N348 WeakPolarHBondContact O-CB 3.3Å; I345-N348 PolarHBondContact O-N 2.89Å; I345-N348 VanDerWaalsContact O-N 3.16Å; I345-Y350 WeakPolarHBondContact CB-OH 3.18Å; I345-Y350 PolarHBondContact N-OH 2.75Å; I345-Y350 VanDerWaalsContact N-OH 3.11Å
346M77.5Confident88.7Confident79 Ų7947.9 Ų47.939%0.38925%0.249SC..THydrogen-bonded Turntrans-56.4137.6173.2-87.5175.3179.900112.4F295 L344 N348 I375F295-M346 HydrophobicContact CD1-CE 4.02Å; F295-M346 HydrophobicContact CD1-CG 3.74Å; F295-M346 HydrophobicContact CD1-SD 4.31Å; F295-M346 HydrophobicContact CE1-CB 4.28Å; F295-M346 HydrophobicContact CE1-CE 3.31Å; F295-M346 HydrophobicContact CE1-CG 3.38Å; F295-M346 HydrophobicContact CE1-SD 3.41Å; F295-M346 WeakPolarHBondContact CE1-SD 3.36Å; F295-M346 HydrophobicContact CE2-CE 3.94Å; F295-M346 HydrophobicContact CZ-CE 3.25Å; F295-M346 HydrophobicContact CZ-CG 4.31Å; F295-M346 HydrophobicContact CZ-SD 3.78Å; L344-M346 PolarHBondContact O-N 3.38Å; M346-N348 PolarHBondContact O-N 2.81Å; M346-I375 HydrophobicContact CG-CG2 4.09Å
347G78.1Confident88.9Confident37 Ų3741.6 Ų41.638%0.38123%0.226SC..THydrogen-bonded Turntrans81.6-8.3-177.200000114.4I375G347-I375 VanDerWaalsContact CA-O 3.24Å; G347-I375 WeakPolarHBondContact CA-O 3.19Å; G347-I375 PolarHBondContact N-O 2.64Å
348N84.3Confident89Confident16 Ų1638.5 Ų38.59%0.08621%0.209CC..  trans-88.2163.4175.4-67.90.5000111.5D321 K323 I345 M346 Y350 I375D321-N348 WeakPolarHBondContact OD2-CB 3.46Å; D321-N348 VanDerWaalsContact OD2-CG 3.29Å; D321-N348 PolarHBondContact OD2-ND2 2.88Å; K323-N348 PolarHBondContact NZ-OD1 3.1Å; I345-N348 HydrophobicContact CB-CB 4.41Å; I345-N348 WeakPolarHBondContact O-CB 3.3Å; I345-N348 PolarHBondContact O-N 2.89Å; I345-N348 VanDerWaalsContact O-N 3.16Å; M346-N348 PolarHBondContact O-N 2.81Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.61Å; N348-I375 PolarHBondContact O-N 2.91Å
349T90.6Very high88.9Confident23 Ų2338.8 Ų38.814%0.14121%0.207CC..EExtended strand (participates in β ladder)trans-123.7129.9179.2-61.40000108.4K322 E372 A373K322-T349 HydrophobicContact CB-CG2 4.27Å; K322-T349 VanDerWaalsContact CB-O 3.27Å; K322-T349 WeakPolarHBondContact CB-O 3.36Å; K322-T349 HydrophobicContact CD-CG2 3.89Å; K322-T349 PolarHBondContact N-O 2.82Å; T349-E372 HydrophobicContact CG2-CB 3.51Å; T349-E372 HydrophobicContact CG2-CG 4.35Å; T349-E372 WeakPolarHBondContact CG2-OE2 3.16Å; T349-A373 CarbonylContact C-O 3.5Å; T349-A373 VanDerWaalsContact CA-O 3.26Å; T349-A373 WeakPolarHBondContact CA-O 3.37Å
350Y92.3Very high89.3Confident8 Ų840.2 Ų40.23%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-120.1146.5-173.9-65.6-87.8000112.4K319 A320 D321 L344 I345 N348 E372 A373 I375K319-Y350 HydrophobicContact CD-CD1 4.39Å; K319-Y350 HydrophobicContact CD-CE1 4.43Å; A320-Y350 CarbonylContact O-C 3.58Å; A320-Y350 VanDerWaalsContact O-CA 3.29Å; A320-Y350 WeakPolarHBondContact O-CA 3.38Å; D321-Y350 HydrophobicContact CB-CD1 4.18Å; D321-Y350 HydrophobicContact CB-CE1 3.86Å; L344-Y350 HydrophobicContact CB-CD2 4.25Å; L344-Y350 HydrophobicContact CB-CE2 3.78Å; L344-Y350 HydrophobicContact CD1-CD2 4.24Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CD2 4.15Å; L344-Y350 HydrophobicContact CD2-CE1 4.09Å; L344-Y350 HydrophobicContact CD2-CE2 4.06Å; L344-Y350 HydrophobicContact CD2-CG 4.23Å; L344-Y350 HydrophobicContact CG-CD2 4.46Å; L344-Y350 HydrophobicContact CG-CE2 4.36Å; I345-Y350 WeakPolarHBondContact CB-OH 3.18Å; I345-Y350 PolarHBondContact N-OH 2.75Å; I345-Y350 VanDerWaalsContact N-OH 3.11Å; N348-Y350 HydrophobicContact CB-CD2 4.44Å; N348-Y350 HydrophobicContact CB-CE2 3.61Å; Y350-E372 CarbonylContact O-C 3.55Å; Y350-E372 WeakPolarHBondContact O-CA 3.33Å; Y350-A373 PolarHBondContact N-O 2.98Å; Y350-A373 PolarHBondContact O-N 2.83Å; Y350-I375 HydrophobicContact CD2-CG1 4Å; Y350-I375 HydrophobicContact CE2-CG1 4Å
351K96.2Very high89.7Confident85 Ų8537.8 Ų37.837%0.3721%0.205SC..EExtended strand (participates in β ladder)trans-108.8151.3161.8-72.5-176.8-177.31730109.7K319 A320 W327 E372K319-K351 CarbonylContact C-O 3.59Å; K319-K351 WeakPolarHBondContact CA-O 3.37Å; A320-K351 PolarHBondContact N-O 2.97Å; A320-K351 PolarHBondContact O-N 2.89Å; W327-K351 HydrophobicContact CH2-CB 3.88Å; K351-E372 HydrophobicContact CD-CG 4.41Å; K351-E372 VanDerWaalsContact CE-CG 3.48Å; K351-E372 WeakPolarHBondContact CE-OE1 3.35Å; K351-E372 HydrophobicContact CG-CG 3.91Å; K351-E372 IonicContact NZ-OE1 3.69Å; K351-E372 PolarHBondContact NZ-OE1 2.86Å; K351-E372 VanDerWaalsContact NZ-OE1 3.15Å
352F97Very high90.1Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-125.1146.1176.5-55.3-88.8000110.2I289 V297 L299 Q318 K319 I341 L344 V368 T369 A373I289-F352 HydrophobicContact CD1-CD2 4.38Å; I289-F352 HydrophobicContact CG1-CD2 4.37Å; V297-F352 HydrophobicContact CB-CE2 4.14Å; V297-F352 HydrophobicContact CB-CZ 3.92Å; V297-F352 HydrophobicContact CG1-CD2 4.41Å; V297-F352 HydrophobicContact CG1-CE2 3.7Å; V297-F352 HydrophobicContact CG1-CZ 3.97Å; V297-F352 HydrophobicContact CG2-CE2 4.16Å; V297-F352 HydrophobicContact CG2-CZ 4Å; L299-F352 HydrophobicContact CD1-CB 3.69Å; L299-F352 HydrophobicContact CD1-CD1 3.73Å; L299-F352 HydrophobicContact CD1-CD2 4.31Å; L299-F352 HydrophobicContact CD1-CE1 4.44Å; L299-F352 HydrophobicContact CD1-CG 3.64Å; L299-F352 HydrophobicContact CD2-CB 4.14Å; L299-F352 HydrophobicContact CD2-CD2 3.81Å; L299-F352 HydrophobicContact CD2-CE2 4.41Å; L299-F352 HydrophobicContact CD2-CG 3.96Å; L299-F352 HydrophobicContact CG-CG 4.36Å; Q318-F352 WeakPolarHBondContact O-CA 3.07Å; K319-F352 HydrophobicContact CB-CD1 3.77Å; K319-F352 HydrophobicContact CB-CE1 3.72Å; I341-F352 HydrophobicContact CB-CE1 4.03Å; I341-F352 HydrophobicContact CG1-CD1 4.27Å; I341-F352 HydrophobicContact CG1-CE1 4.02Å; I341-F352 HydrophobicContact CG2-CE1 3.88Å; L344-F352 HydrophobicContact CD1-CZ 4.03Å; F352-V368 WeakPolarHBondContact O-CA 3.33Å; F352-T369 HydrophobicContact CB-CG2 3.86Å; F352-T369 HydrophobicContact CD2-CG2 4.37Å; F352-T369 PolarHBondContact N-OG1 3.33Å; F352-T369 PolarHBondContact O-N 3.39Å; F352-T369 PolarHBondContact O-OG1 3.35Å; F352-A373 HydrophobicContact CE2-CB 3.9Å
353R97.3Very high90.8Very high65 Ų6539.3 Ų39.325%0.24521%0.207CC..EExtended strand (participates in β ladder)trans-134.6144.2170.675.1-176.5177.8177.8-0.1110Q318 W327 F355 A366 A367 V368Q318-R353 HydrophobicContact CB-CG 4Å; Q318-R353 PolarHBondContact N-O 2.91Å; Q318-R353 PolarHBondContact O-N 2.83Å; W327-R353 HydrophobicContact CD2-CG 4.18Å; W327-R353 HydrophobicContact CE3-CB 4.35Å; W327-R353 HydrophobicContact CE3-CG 3.61Å; W327-R353 VanDerWaalsContact CG-CZ 3.46Å; W327-R353 HydrophobicContact CH2-CB 3.78Å; W327-R353 HydrophobicContact CH2-CG 3.92Å; W327-R353 HydrophobicContact CZ2-CG 4.46Å; W327-R353 HydrophobicContact CZ3-CB 3.71Å; W327-R353 HydrophobicContact CZ3-CG 3.48Å; W327-R353 VanDerWaalsContact CZ3-CG 3.48Å; R353-F355 HydrophobicContact CG-CE2 3.85Å; R353-F355 HydrophobicContact CG-CZ 4.49Å; R353-A366 HydrophobicContact CB-CB 3.74Å; R353-A366 HydrophobicContact CG-CB 3.89Å; R353-A367 CarbonylContact C-O 3.53Å; R353-A367 WeakPolarHBondContact CA-O 3.22Å; R353-V368 HydrophobicContact CB-CB 4.43Å; R353-V368 HydrophobicContact CB-CG2 3.89Å
354V98.2Very high91.6Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-125131.6-178-174.60000108.6P284 V287 W301 Y315 T316 I317 A366 A367P284-V354 WeakPolarHBondContact CD-O 3.16Å; P284-V354 HydrophobicContact CG-CB 3.97Å; P284-V354 HydrophobicContact CG-CG1 3.74Å; P284-V354 WeakPolarHBondContact CG-O 3.22Å; V287-V354 HydrophobicContact CG1-CG2 3.79Å; V287-V354 HydrophobicContact CG2-CB 3.8Å; V287-V354 HydrophobicContact CG2-CG2 3.84Å; W301-V354 HydrophobicContact CD2-CG1 4.11Å; W301-V354 HydrophobicContact CD2-CG2 4.32Å; W301-V354 HydrophobicContact CE3-CG2 4.19Å; W301-V354 HydrophobicContact CG-CG1 4.24Å; W301-V354 HydrophobicContact CZ2-CG1 4.42Å; Y315-V354 HydrophobicContact CD1-CG1 4.09Å; Y315-V354 HydrophobicContact CG-CG1 4.36Å; T316-V354 CarbonylContact O-C 3.54Å; T316-V354 WeakPolarHBondContact O-CA 3.23Å; I317-V354 HydrophobicContact CG1-CG1 4.06Å; I317-V354 HydrophobicContact CG1-CG2 3.91Å; I317-V354 HydrophobicContact CG2-CG2 4.3Å; V354-A366 WeakPolarHBondContact O-CA 2.94Å; V354-A366 WeakPolarHBondContact O-CB 3.4Å; V354-A367 PolarHBondContact N-O 2.85Å; V354-A367 PolarHBondContact O-N 2.87Å
355F98.4Very high92.4Very high14 Ų1444 Ų446%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-104.5147.1172.8-61.9-98.1000109.2Y315 T316 Q318 R353 M362 S363 A366Y315-F355 WeakPolarHBondContact CA-O 3.34Å; Y315-F355 WeakPolarHBondContact CB-O 3.09Å; Y315-F355 WeakPolarHBondContact CD1-O 3.34Å; T316-F355 HydrophobicContact CG2-CD2 4.36Å; T316-F355 PolarHBondContact N-O 2.83Å; T316-F355 PolarHBondContact O-N 2.83Å; Q318-F355 HydrophobicContact CG-CE2 4.15Å; R353-F355 HydrophobicContact CG-CE2 3.85Å; R353-F355 HydrophobicContact CG-CZ 4.49Å; F355-M362 HydrophobicContact CB-CG 3.45Å; F355-M362 VanDerWaalsContact CB-CG 3.45Å; F355-M362 HydrophobicContact CB-SD 3.64Å; F355-M362 HydrophobicContact CD1-CE 4.05Å; F355-M362 HydrophobicContact CD1-CG 4.01Å; F355-M362 HydrophobicContact CD1-SD 3.92Å; F355-M362 HydrophobicContact CD2-SD 4.09Å; F355-M362 HydrophobicContact CE1-CE 4.2Å; F355-M362 HydrophobicContact CG-CE 4.33Å; F355-M362 HydrophobicContact CG-CG 3.93Å; F355-M362 HydrophobicContact CG-SD 3.64Å; F355-S363 WeakPolarHBondContact CD1-O 3.45Å; F355-A366 HydrophobicContact CD1-CB 3.78Å; F355-A366 HydrophobicContact CD2-CB 3.92Å; F355-A366 HydrophobicContact CE1-CB 3.61Å; F355-A366 HydrophobicContact CE2-CB 3.73Å; F355-A366 HydrophobicContact CG-CB 3.95Å; F355-A366 HydrophobicContact CZ-CB 3.58Å
356S98.2Very high93.2Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-93.9150.3171.1-500000109.4P281 G282 P284 P304 M362 S363P281-S356 VanDerWaalsContact CG-O 3.32Å; P281-S356 WeakPolarHBondContact CG-O 3.33Å; G282-S356 VanDerWaalsContact O-CB 3.26Å; G282-S356 WeakPolarHBondContact O-CB 3.27Å; G282-S356 PolarHBondContact O-OG 2.75Å; P284-S356 VanDerWaalsContact CD-OG 3.22Å; P284-S356 WeakPolarHBondContact CD-OG 3.38Å; P284-S356 WeakPolarHBondContact CG-OG 3.42Å; P304-S356 WeakPolarHBondContact CD-OG 3.28Å; P304-S356 WeakPolarHBondContact CG-OG 3.37Å; S356-M362 CarbonylContact O-C 3.59Å; S356-M362 WeakPolarHBondContact O-CA 3.45Å; S356-S363 PolarHBondContact N-OG 3.18Å; S356-S363 VanDerWaalsContact N-OG 3.08Å; S356-S363 PolarHBondContact O-N 3.05Å
357E95.8Very high94.1Very high11 Ų1137 Ų375%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-128.4142.5178.5-62.3167.8-146.500110.8I312 T313 G314 T316 H333 G361 M362I312-E357 CarbonylContact C-O 3.53Å; I312-E357 VanDerWaalsContact CA-O 3.31Å; I312-E357 WeakPolarHBondContact CA-O 3.15Å; I312-E357 WeakPolarHBondContact CG2-O 3.47Å; T313-E357 PolarHBondContact N-O 3.34Å; T313-E357 PolarHBondContact OG1-O 3.13Å; G314-E357 PolarHBondContact N-O 3.47Å; G314-E357 WeakPolarHBondContact O-CB 3.15Å; G314-E357 PolarHBondContact O-N 2.92Å; T316-E357 WeakPolarHBondContact CB-OE1 3.44Å; T316-E357 PolarHBondContact N-OE1 2.83Å; T316-E357 VanDerWaalsContact N-OE1 3.09Å; T316-E357 PolarHBondContact OG1-OE1 2.87Å; H333-E357 IonicContact CE1-OE2 2.74Å; H333-E357 IonicContact CG-OE2 3.96Å; H333-E357 PolarHBondContact N-OE1 2.84Å; H333-E357 IonicContact ND1-OE1 3.15Å; H333-E357 IonicContact ND1-OE2 3.57Å; H333-E357 PolarHBondContact ND1-OE2 2.9Å; E357-G361 WeakPolarHBondContact CA-O 3.39Å; E357-M362 HydrophobicContact CG-CB 4.21Å; E357-M362 HydrophobicContact CG-CG 4.24Å
358N96.1Very high95Very high7 Ų738.6 Ų38.64%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-133.7-174.3168.970.616.1000110.2E279 P281 S307 T310 E311 I312 T313 V360 G361E279-N358 PolarHBondContact O-ND2 2.92Å; P281-N358 WeakPolarHBondContact CD-ND2 3.3Å; P281-N358 HydrophobicContact CG-CB 4.26Å; S307-N358 PolarHBondContact O-ND2 2.91Å; T310-N358 HydrophobicContact CG2-CB 3.55Å; T310-N358 WeakPolarHBondContact CG2-ND2 3.14Å; E311-N358 WeakPolarHBondContact O-CB 3.4Å; I312-N358 HydrophobicContact CD1-CB 4.43Å; T313-N358 WeakPolarHBondContact OG1-CA 3.4Å; N358-V360 PolarHBondContact O-N 3.03Å; N358-V360 WeakPolarHBondContact OD1-CA 3.44Å; N358-V360 VanDerWaalsContact OD1-CB 3.22Å; N358-V360 WeakPolarHBondContact OD1-CB 3.29Å; N358-V360 PolarHBondContact OD1-N 3.1Å; N358-G361 PolarHBondContact N-O 2.9Å; N358-G361 PolarHBondContact O-N 2.79Å; N358-G361 VanDerWaalsContact O-N 3.12Å; N358-G361 PolarHBondContact OD1-N 3.41Å; N358-G361 VanDerWaalsContact OD1-N 3.08Å; N358-G361 PolarHBondContact OD1-O 2.88Å
359K92.5Very high95.5Very high93 Ų9338.2 Ų38.240%0.40420%0.202SC..SBendtrans-59.9-17.917974-178.5179.4-173.50115.2V199 T310V199-K359 VanDerWaalsContact CG1-NZ 3.26Å; V199-K359 VanDerWaalsContact CG2-NZ 3.34Å; T310-K359 HydrophobicContact CG2-CG 4.12Å; T310-K359 WeakPolarHBondContact OG1-CD 3.37Å; T310-K359 VanDerWaalsContact OG1-CE 3.25Å; T310-K359 WeakPolarHBondContact OG1-CE 3.45Å
360V93.3Very high95.6Very high33 Ų3347 Ų4720%0.224%0.239CC..SBendtrans-83.9-46.3175.9-174.80000109.4Q201 V278 L280 N358Q201-V360 HydrophobicContact CG-CG1 4.24Å; V278-V360 HydrophobicContact CB-CG2 3.77Å; V278-V360 HydrophobicContact CG2-CG2 3.33Å; L280-V360 HydrophobicContact CD2-CB 4.15Å; L280-V360 HydrophobicContact CD2-CG1 3.75Å; L280-V360 HydrophobicContact CG-CG1 4.35Å; N358-V360 PolarHBondContact O-N 3.03Å; N358-V360 WeakPolarHBondContact OD1-CA 3.44Å; N358-V360 VanDerWaalsContact OD1-CB 3.22Å; N358-V360 WeakPolarHBondContact OD1-CB 3.29Å; N358-V360 PolarHBondContact OD1-N 3.1Å
361G92.5Very high95.6Very high23 Ų2353.2 Ų53.224%0.23727%0.268CS..  trans160.5-160177.200000113.4P281 E357 N358P281-G361 WeakPolarHBondContact CD-O 3.5Å; E357-G361 WeakPolarHBondContact CA-O 3.39Å; N358-G361 PolarHBondContact N-O 2.9Å; N358-G361 PolarHBondContact O-N 2.79Å; N358-G361 VanDerWaalsContact O-N 3.12Å; N358-G361 PolarHBondContact OD1-N 3.41Å; N358-G361 VanDerWaalsContact OD1-N 3.08Å; N358-G361 PolarHBondContact OD1-O 2.88Å
362M95.3Very high95.5Very high81 Ų8152.4 Ų52.440%0.39927%0.265SS..BIsolated β-bridgetrans-83.7144.9-179.3-172.1178.568.100111.4T316 F355 S356 E357T316-M362 HydrophobicContact CG2-SD 4.17Å; F355-M362 HydrophobicContact CB-CG 3.45Å; F355-M362 VanDerWaalsContact CB-CG 3.45Å; F355-M362 HydrophobicContact CB-SD 3.64Å; F355-M362 HydrophobicContact CD1-CE 4.05Å; F355-M362 HydrophobicContact CD1-CG 4.01Å; F355-M362 HydrophobicContact CD1-SD 3.92Å; F355-M362 HydrophobicContact CD2-SD 4.09Å; F355-M362 HydrophobicContact CE1-CE 4.2Å; F355-M362 HydrophobicContact CG-CE 4.33Å; F355-M362 HydrophobicContact CG-CG 3.93Å; F355-M362 HydrophobicContact CG-SD 3.64Å; S356-M362 CarbonylContact O-C 3.59Å; S356-M362 WeakPolarHBondContact O-CA 3.45Å; E357-M362 HydrophobicContact CG-CB 4.21Å; E357-M362 HydrophobicContact CG-CG 4.24Å
363S97.2Very high95.1Very high2 Ų252.5 Ų52.51%0.01427%0.267CS..  trans-56.6141.2176.260.20000112P281 F355 S356 S365P281-S363 VanDerWaalsContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CA 3.3Å; P281-S363 WeakPolarHBondContact O-CB 3.5Å; F355-S363 WeakPolarHBondContact CD1-O 3.45Å; S356-S363 PolarHBondContact N-OG 3.18Å; S356-S363 VanDerWaalsContact N-OG 3.08Å; S356-S363 PolarHBondContact O-N 3.05Å; S363-S365 WeakPolarHBondContact CB-O 3.25Å; S363-S365 PolarHBondContact O-N 2.87Å; S363-S365 PolarHBondContact OG-O 2.9Å
364E94.2Very high94.6Very high179 Ų17955.5 Ų55.584%0.83628%0.281SS*.SBendtrans-64.4-31.9179-64.4-172.6151.600112.6L280L280-E364 HydrophobicContact CD1-CG 3.72Å
365S95.6Very high93.9Very high62 Ų6255.7 Ų55.743%0.43428%0.282SS..SBendtrans-113.2155.1176.756.20000111P283 S363P283-S365 WeakPolarHBondContact CD-OG 3.38Å; P283-S365 WeakPolarHBondContact CG-OG 3.17Å; S363-S365 WeakPolarHBondContact CB-O 3.25Å; S363-S365 PolarHBondContact O-N 2.87Å; S363-S365 PolarHBondContact OG-O 2.9Å
366A95.8Very high92.8Very high24 Ų2460.4 Ų60.420%0.19831%0.307CS..  trans-107.3152171.300000110.7R353 V354 F355R353-A366 HydrophobicContact CB-CB 3.74Å; R353-A366 HydrophobicContact CG-CB 3.89Å; V354-A366 WeakPolarHBondContact O-CA 2.94Å; V354-A366 WeakPolarHBondContact O-CB 3.4Å; F355-A366 HydrophobicContact CD1-CB 3.78Å; F355-A366 HydrophobicContact CD2-CB 3.92Å; F355-A366 HydrophobicContact CE1-CB 3.61Å; F355-A366 HydrophobicContact CE2-CB 3.73Å; F355-A366 HydrophobicContact CG-CB 3.95Å; F355-A366 HydrophobicContact CZ-CB 3.58Å
367A96.9Very high91Very high14 Ų1468.7 Ų68.712%0.11634%0.344CS..EExtended strand (participates in β ladder)trans-84.3126.2161.700000109.1P283 P284 V287 R353 V354P283-A367 HydrophobicContact CB-CB 4.32Å; P284-A367 HydrophobicContact CB-CB 4Å; P284-A367 HydrophobicContact CG-CB 4.27Å; P284-A367 WeakPolarHBondContact O-CB 3.42Å; V287-A367 HydrophobicContact CB-CB 4.38Å; V287-A367 HydrophobicContact CG2-CB 3.42Å; V287-A367 VanDerWaalsContact CG2-CB 3.42Å; R353-A367 CarbonylContact C-O 3.53Å; R353-A367 WeakPolarHBondContact CA-O 3.22Å; V354-A367 PolarHBondContact N-O 2.85Å; V354-A367 PolarHBondContact O-N 2.87Å
368V96.8Very high89Confident70 Ų7073.8 Ų73.842%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-105.7143-176.6-171.40000109.4W327 F352 R353 K370W327-V368 HydrophobicContact CH2-CG1 4.14Å; F352-V368 WeakPolarHBondContact O-CA 3.33Å; R353-V368 HydrophobicContact CB-CB 4.43Å; R353-V368 HydrophobicContact CB-CG2 3.89Å; V368-K370 PolarHBondContact O-N 3.06Å
369T95.8Very high86.5Confident8 Ų877.4 Ų77.45%0.04941%0.414CS..  trans-59.6133.2172.355.70000110.4V287 I289 L299 F352 E371V287-T369 HydrophobicContact CG1-CG2 3.71Å; I289-T369 HydrophobicContact CD1-CG2 4.29Å; I289-T369 HydrophobicContact CG1-CG2 4.01Å; L299-T369 HydrophobicContact CD2-CG2 4.14Å; F352-T369 HydrophobicContact CB-CG2 3.86Å; F352-T369 HydrophobicContact CD2-CG2 4.37Å; F352-T369 PolarHBondContact N-OG1 3.33Å; F352-T369 PolarHBondContact O-N 3.39Å; F352-T369 PolarHBondContact O-OG1 3.35Å; T369-E371 VanDerWaalsContact C-N 3.31Å; T369-E371 WeakPolarHBondContact CB-O 3.03Å; T369-E371 PolarHBondContact OG1-O 3.25Å
370K92.8Very high84.1Confident209 Ų20980.5 Ų80.591%0.90943%0.434SS*.SBendtrans-69.8-34.1174.3-66.2-176.4179.4-177.60111.9V368V368-K370 PolarHBondContact O-N 3.06Å
371E92.3Very high81.7Confident138 Ų13886.6 Ų86.665%0.64547%0.465SS*.SBendtrans-99.1158.8179.5-64.2174.6-165.700110.5I289 T369I289-E371 HydrophobicContact CD1-CB 4.45Å; I289-E371 WeakPolarHBondContact CD1-O 3.32Å; T369-E371 VanDerWaalsContact C-N 3.31Å; T369-E371 WeakPolarHBondContact CB-O 3.03Å; T369-E371 PolarHBondContact OG1-O 3.25Å
372E93.2Very high79.3Confident67 Ų6793 Ų9331%0.31348%0.483SS..  trans-107.1134.6174.9-56.5179.3165.100109.1K322 T349 Y350 K351 K374K322-E372 WeakPolarHBondContact CD-OE2 3.34Å; K322-E372 WeakPolarHBondContact CE-OE2 3.3Å; K322-E372 IonicContact NZ-OE1 2.67Å; K322-E372 IonicContact NZ-OE2 3.5Å; K322-E372 PolarHBondContact NZ-OE2 2.8Å; T349-E372 HydrophobicContact CG2-CB 3.51Å; T349-E372 HydrophobicContact CG2-CG 4.35Å; T349-E372 WeakPolarHBondContact CG2-OE2 3.16Å; Y350-E372 CarbonylContact O-C 3.55Å; Y350-E372 WeakPolarHBondContact O-CA 3.33Å; K351-E372 HydrophobicContact CD-CG 4.41Å; K351-E372 VanDerWaalsContact CE-CG 3.48Å; K351-E372 WeakPolarHBondContact CE-OE1 3.35Å; K351-E372 HydrophobicContact CG-CG 3.91Å; K351-E372 IonicContact NZ-OE1 3.69Å; K351-E372 PolarHBondContact NZ-OE1 2.86Å; K351-E372 VanDerWaalsContact NZ-OE1 3.15Å; E372-K374 PolarHBondContact O-N 3.48Å
373A88.3Confident76.7Confident3 Ų398.5 Ų98.53%0.02551%0.505CS..EExtended strand (participates in β ladder)trans-84.8112176.500000110I289 T292 V297 T349 Y350 F352I289-A373 HydrophobicContact CD1-CB 3.86Å; T292-A373 HydrophobicContact CG2-CB 4.03Å; V297-A373 HydrophobicContact CG1-CB 4.2Å; V297-A373 HydrophobicContact CG2-CB 3.52Å; T349-A373 CarbonylContact C-O 3.5Å; T349-A373 VanDerWaalsContact CA-O 3.26Å; T349-A373 WeakPolarHBondContact CA-O 3.37Å; Y350-A373 PolarHBondContact N-O 2.98Å; Y350-A373 PolarHBondContact O-N 2.83Å; F352-A373 HydrophobicContact CE2-CB 3.9Å
374K87.8Confident74.2Confident127 Ų127101.6 Ų101.655%0.55253%0.525SS*.EExtended strand (participates in β ladder)trans-93.8117.1173.1-173.7178.1-177.2-177.80110.1E372 L376E372-K374 PolarHBondContact O-N 3.48Å; K374-L376 HydrophobicContact CD-CD2 4.01Å; K374-L376 HydrophobicContact CG-CD2 4.13Å; K374-L376 PolarHBondContact O-N 2.71Å
375I83.1Confident71.8Confident4 Ų4100.7 Ų100.72%0.02153%0.525CS..  trans-81.6105.8178.8-49.1-54.2000108.2G294 V297 L344 M346 G347 N348 Y350G294-I375 WeakPolarHBondContact O-CG2 3.11Å; V297-I375 HydrophobicContact CG2-CD1 3.81Å; L344-I375 HydrophobicContact CB-CD1 4.18Å; L344-I375 HydrophobicContact CB-CG1 3.99Å; L344-I375 HydrophobicContact CD1-CD1 3.85Å; L344-I375 HydrophobicContact CD1-CG1 4.43Å; M346-I375 HydrophobicContact CG-CG2 4.09Å; G347-I375 VanDerWaalsContact CA-O 3.24Å; G347-I375 WeakPolarHBondContact CA-O 3.19Å; G347-I375 PolarHBondContact N-O 2.64Å; N348-I375 PolarHBondContact O-N 2.91Å; Y350-I375 HydrophobicContact CD2-CG1 4Å; Y350-I375 HydrophobicContact CE2-CG1 4Å
376L75.8Confident69.2Low113 Ų113107.2 Ų107.259%0.59255%0.549SS*.  trans-77.5149-174.4-62.5176.8000112.1K374K374-L376 HydrophobicContact CD-CD2 4.01Å; K374-L376 HydrophobicContact CG-CD2 4.13Å; K374-L376 PolarHBondContact O-N 2.71Å
377K60.5Low66.5Low175 Ų175113.1 Ų113.176%0.76157%0.567SS**  trans-92.4-8.1-176.4-160.5171.1-179.3177.90113.6
378T52.8Low63.8Low118 Ų118121.5 Ų121.572%0.72460%0.601SS**  trans-110.6106.7-164.446.40000114
379G44.2Very low61Low82 Ų82126.2 Ų126.285%0.84562%0.618SS**  56.262.4117.900000120.2
380I41.9Very low58.7Low158 Ų158131.6 Ų131.681%0.8164%0.642SS**  trans-120.7119.7151-61.4177.4000106.4Y382I380-Y382 PolarHBondContact O-N 3.46Å
381D43.3Very low56.7Low161 Ų161126.3 Ų126.386%0.86162%0.624SS**  trans-53.4103.9170.9-107.3-28.2000108.4K383D381-K383 PolarHBondContact O-N 3.23Å; D381-K383 VanDerWaalsContact O-N 3.1Å
382Y41.2Very low54.9Low158 Ų158127 Ų12762%0.6263%0.625SS**  trans-63.9109.4167.7179.5-109.9000106.5I380 P384I380-Y382 PolarHBondContact O-N 3.46Å; Y382-P384 HydrophobicContact CD1-CB 3.98Å; Y382-P384 HydrophobicContact CD1-CG 3.61Å; Y382-P384 HydrophobicContact CE1-CB 3.38Å; Y382-P384 HydrophobicContact CE1-CG 3.52Å; Y382-P384 VanDerWaalsContact O-CD 3.23Å; Y382-P384 WeakPolarHBondContact O-CD 3.36Å
383K41.5Very low54Low196 Ų196127.5 Ų127.585%0.85263%0.63SS**  trans-82.2103.8156.2-81.6-171.7176.7-179.30106.1D381 L385D381-K383 PolarHBondContact O-N 3.23Å; D381-K383 VanDerWaalsContact O-N 3.1Å; K383-L385 PolarHBondContact O-N 2.9Å
384P45.5Very low53.6Low68 Ų68131.4 Ų131.444%0.44265%0.648SS.*  trans-56.9141.4174.8-1226000108.5Y382 E386Y382-P384 HydrophobicContact CD1-CB 3.98Å; Y382-P384 HydrophobicContact CD1-CG 3.61Å; Y382-P384 HydrophobicContact CE1-CB 3.38Å; Y382-P384 HydrophobicContact CE1-CG 3.52Å; Y382-P384 VanDerWaalsContact O-CD 3.23Å; Y382-P384 WeakPolarHBondContact O-CD 3.36Å; P384-E386 PolarHBondContact O-N 3.42Å
385L42.6Very low53.7Low160 Ų160127.6 Ų127.684%0.83864%0.64SS**SBendtrans-52.7122.9138.3-78.5162.9000104.4K383 Y387K383-L385 PolarHBondContact O-N 2.9Å; L385-Y387 VanDerWaalsContact C-N 3.29Å; L385-Y387 WeakPolarHBondContact O-CA 3.37Å; L385-Y387 PolarHBondContact O-N 2.87Å
386E41.5Very low54.2Low198 Ų198127.7 Ų127.793%0.92564%0.641SS**  trans-35.296.7-174.2-83.3-173.9165.500110.9P384 K388P384-E386 PolarHBondContact O-N 3.42Å; E386-K388 PolarHBondContact O-N 3.05Å
387Y39Very low55Low149 Ų149129.6 Ų129.658%0.58464%0.644SS**  trans-87.9102.4-178-168-99.6000103L385 E389L385-Y387 VanDerWaalsContact C-N 3.29Å; L385-Y387 WeakPolarHBondContact O-CA 3.37Å; L385-Y387 PolarHBondContact O-N 2.87Å; Y387-E389 HydrophobicContact CD1-CG 4.37Å; Y387-E389 HydrophobicContact CE1-CB 4.5Å; Y387-E389 HydrophobicContact CE1-CG 4.37Å; Y387-E389 PolarHBondContact O-N 3.38Å
388K39.7Very low56.5Low189 Ų189122.4 Ų122.482%0.82261%0.613SS**  trans-64.8119148.6-72.4-174.7177.8-178.80104.4E386 H390E386-K388 PolarHBondContact O-N 3.05Å; K388-H390 PolarHBondContact O-N 2.96Å
389E38Very low58Low169 Ų169120.6 Ų120.679%0.7960%0.602SS**  trans-41.7113.2162.5-76.7177.9153.100107Y387 D391Y387-E389 HydrophobicContact CD1-CG 4.37Å; Y387-E389 HydrophobicContact CE1-CB 4.5Å; Y387-E389 HydrophobicContact CE1-CG 4.37Å; Y387-E389 PolarHBondContact O-N 3.38Å; E389-D391 PolarHBondContact O-N 2.9Å
390H47.9Very low60.1Low121 Ų121120 Ų12056%0.5658%0.582SS**  trans-73.890.6169-131.1-61.8000104K388 F392K388-H390 PolarHBondContact O-N 2.96Å; H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 VanDerWaalsContact O-CD2 3.24Å; H390-F392 WeakPolarHBondContact O-CD2 3.35Å; H390-F392 PolarHBondContact O-N 2.73Å
391D50.3Low62.4Low99 Ų99116.3 Ų116.353%0.52957%0.571SS.*  trans-60.5101.8174.9-166.4-0.5000106.8E389 N393 E394E389-D391 PolarHBondContact O-N 2.9Å; D391-N393 PolarHBondContact O-N 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.47Å; D391-N393 PolarHBondContact OD1-N 3.08Å; D391-N393 VanDerWaalsContact OD1-N 3.11Å; D391-E394 WeakPolarHBondContact O-CG 3.42Å
392F55.7Low64.7Low151 Ų151109.3 Ų109.366%0.66253%0.533SS*.SBendtrans-70.91174.7-68.7-80.5000111.1H390 E394 S422H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 VanDerWaalsContact O-CD2 3.24Å; H390-F392 WeakPolarHBondContact O-CD2 3.35Å; H390-F392 PolarHBondContact O-N 2.73Å; F392-E394 VanDerWaalsContact C-N 3.33Å; F392-E394 PolarHBondContact O-N 3.33Å; F392-S422 WeakPolarHBondContact O-CB 3.48Å; F392-S422 PolarHBondContact O-OG 3.24Å
393N72.4Confident67.1Low78 Ų78106.2 Ų106.242%0.41754%0.535SS..  trans-87.777.1165.7-67.8-25.6000110D391 S422 H474D391-N393 PolarHBondContact O-N 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.47Å; D391-N393 PolarHBondContact OD1-N 3.08Å; D391-N393 VanDerWaalsContact OD1-N 3.11Å; N393-S422 CarbonylContact C-O 3.51Å; N393-S422 WeakPolarHBondContact CA-O 3.39Å; N393-H474 VanDerWaalsContact CB-CD2 3.5Å; N393-H474 WeakPolarHBondContact CB-CD2 3.39Å; N393-H474 VanDerWaalsContact CB-CE1 3.46Å; N393-H474 WeakPolarHBondContact CB-CE1 3.35Å; N393-H474 WeakPolarHBondContact CB-NE2 3.38Å; N393-H474 PolarHBondContact OD1-NE2 3.38Å
394E80.3Confident69.7Low86 Ų86102.5 Ų102.540%0.40252%0.524SS..EExtended strand (participates in β ladder)trans-92.3120.5176.7-65.5-172.6170.400109.7D391 F392 G421 S422 N472D391-E394 WeakPolarHBondContact O-CG 3.42Å; F392-E394 VanDerWaalsContact C-N 3.33Å; F392-E394 PolarHBondContact O-N 3.33Å; E394-G421 WeakPolarHBondContact O-CA 3.45Å; E394-S422 PolarHBondContact N-O 2.91Å; E394-S422 VanDerWaalsContact N-O 3.07Å; E394-S422 PolarHBondContact O-N 2.82Å; E394-N472 PolarHBondContact O-ND2 2.88Å
395A90.4Very high71.8Confident46 Ų46103.9 Ų103.938%0.3852%0.52SS..EExtended strand (participates in β ladder)trans-52.5148.1163.400000109.6K397 H474A395-K397 PolarHBondContact O-N 2.88Å; A395-H474 HydrophobicContact CB-CB 4.45Å
396P94.4Very high74.1Confident7 Ų798.8 Ų98.85%0.04550%0.501CS..EExtended strand (participates in β ladder)trans-60.5134.9-174.2-21.435.9000110.3V419 R420 P425 A470 N472 G475 A477P396-V419 HydrophobicContact CB-CG2 4.23Å; P396-R420 CarbonylContact C-O 3.53Å; P396-R420 VanDerWaalsContact CA-O 3.26Å; P396-R420 WeakPolarHBondContact CA-O 3.36Å; P396-P425 HydrophobicContact CB-CB 4.03Å; P396-P425 HydrophobicContact CB-CG 3.84Å; P396-P425 HydrophobicContact CG-CB 3.92Å; P396-P425 HydrophobicContact CG-CG 3.89Å; P396-A470 HydrophobicContact CB-CB 3.67Å; P396-A470 HydrophobicContact CG-CB 4.39Å; P396-A470 WeakPolarHBondContact CG-O 3.26Å; P396-N472 VanDerWaalsContact CD-OD1 3.31Å; P396-N472 WeakPolarHBondContact CD-OD1 3.11Å; P396-N472 HydrophobicContact CG-CB 4.22Å; P396-G475 VanDerWaalsContact CD-C 3.45Å; P396-G475 WeakPolarHBondContact CD-O 3.26Å; P396-A477 HydrophobicContact CB-CB 4.45Å; P396-A477 WeakPolarHBondContact O-CB 3.39Å
397K92.8Very high76.4Confident152 Ų15290 Ų9066%0.66146%0.461SS*.EExtended strand (participates in β ladder)trans-136.4124.8177.2-174.3176-179.6177.90109.9A395 T399 R420A395-K397 PolarHBondContact O-N 2.88Å; K397-T399 PolarHBondContact O-N 2.97Å; K397-R420 PolarHBondContact N-O 2.96Å; K397-R420 PolarHBondContact O-N 3.31Å
398F91.6Very high78.8Confident24 Ų2485.2 Ų85.211%0.10545%0.447CS..EExtended strand (participates in β ladder)trans-73123.2173.7-70.6-83.2000110.2C417 S418 V419 C468 A470 A477 I479F398-C417 HydrophobicContact CD1-CB 4.11Å; F398-C417 HydrophobicContact CE1-CB 4.3Å; F398-S418 CarbonylContact C-O 3.48Å; F398-S418 VanDerWaalsContact CA-O 3.26Å; F398-S418 WeakPolarHBondContact CA-O 3.02Å; F398-V419 HydrophobicContact CD1-CB 3.68Å; F398-V419 HydrophobicContact CD1-CG2 4.08Å; F398-V419 HydrophobicContact CE1-CB 3.72Å; F398-V419 HydrophobicContact CE1-CG1 4.45Å; F398-V419 HydrophobicContact CE1-CG2 4.07Å; F398-V419 HydrophobicContact CG-CB 4.36Å; F398-V419 HydrophobicContact CG-CG2 4.35Å; F398-V419 HydrophobicContact CZ-CB 4.42Å; F398-V419 HydrophobicContact CZ-CG2 4.32Å; F398-C468 HydrophobicContact CE1-CB 4.21Å; F398-C468 WeakPolarHBondContact CE2-O 3.38Å; F398-C468 HydrophobicContact CZ-CB 4.01Å; F398-C468 VanDerWaalsContact CZ-O 3.29Å; F398-C468 WeakPolarHBondContact CZ-O 3.37Å; F398-A470 HydrophobicContact CE2-CB 4.1Å; F398-A470 HydrophobicContact CZ-CB 3.84Å; F398-A477 HydrophobicContact CD2-CB 3.92Å; F398-A477 HydrophobicContact CE2-CB 4Å; F398-I479 HydrophobicContact CB-CD1 3.95Å; F398-I479 HydrophobicContact CB-CG2 3.9Å; F398-I479 HydrophobicContact CD1-CD1 3.26Å; F398-I479 HydrophobicContact CD1-CG1 3.88Å; F398-I479 HydrophobicContact CD2-CB 4.23Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CD2-CG1 3.81Å; F398-I479 HydrophobicContact CD2-CG2 3.57Å; F398-I479 HydrophobicContact CE1-CD1 3.63Å; F398-I479 HydrophobicContact CE1-CG1 3.89Å; F398-I479 HydrophobicContact CE2-CB 4.48Å; F398-I479 HydrophobicContact CE2-CD1 4.29Å; F398-I479 HydrophobicContact CE2-CG1 3.81Å; F398-I479 HydrophobicContact CE2-CG2 4.25Å; F398-I479 HydrophobicContact CG-CB 4.44Å; F398-I479 HydrophobicContact CG-CD1 3.46Å; F398-I479 VanDerWaalsContact CG-CD1 3.46Å; F398-I479 HydrophobicContact CG-CG1 3.83Å; F398-I479 HydrophobicContact CG-CG2 3.81Å; F398-I479 HydrophobicContact CZ-CD1 4.13Å; F398-I479 HydrophobicContact CZ-CG1 3.86Å
399T84.4Confident81.2Confident80 Ų8078.4 Ų78.449%0.49142%0.422SS..EExtended strand (participates in β ladder)trans-87.9-20173.258.10000111.7K397 S418 R420K397-T399 PolarHBondContact O-N 2.97Å; T399-S418 PolarHBondContact N-O 2.82Å; T399-S418 WeakPolarHBondContact OG1-CB 3.37Å; T399-S418 PolarHBondContact OG1-O 3.33Å; T399-R420 HydrophobicContact CG2-CB 4.33Å; T399-R420 HydrophobicContact CG2-CG 3.78Å
400T86.5Confident83.4Confident71 Ų7172.2 Ų72.244%0.43640%0.403SS..EExtended strand (participates in β ladder)trans-134.6121.9173.6-50.20000108.2C417 S418T400-C417 VanDerWaalsContact O-CB 3.3Å; T400-C417 WeakPolarHBondContact O-CB 3.16Å; T400-S418 PolarHBondContact N-O 3.41Å; T400-S418 PolarHBondContact O-N 3.33Å
401S91.2Very high85.1Confident80 Ų8074.3 Ų74.356%0.55941%0.407SS*.  trans-72.9164.6177.1-570000111.5
402L92.5Very high87Confident14 Ų1472.4 Ų72.47%0.07340%0.401CS..  trans-77.4145.8166.6-65172.2000109.1L415 C417 W429 C468 I479 C481L402-L415 HydrophobicContact CD2-CB 4.17Å; L402-C417 HydrophobicContact CD2-CB 3.78Å; L402-C417 HydrophobicContact CG-CB 4.26Å; L402-W429 HydrophobicContact CD1-CH2 4.35Å; L402-W429 HydrophobicContact CD1-CZ3 3.92Å; L402-W429 HydrophobicContact CD2-CH2 3.77Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L402-C468 HydrophobicContact CD1-CB 4.21Å; L402-I479 HydrophobicContact CD1-CD1 4.35Å; L402-I479 HydrophobicContact CD1-CG1 4.09Å; L402-I479 HydrophobicContact CG-CD1 3.74Å; L402-I479 HydrophobicContact CG-CG1 4.01Å; L402-C481 HydrophobicContact CB-CB 3.55Å
403S90.9Very high88.7Confident93 Ų9365.3 Ų65.365%0.6537%0.371SS*.  trans-108.2138.7174.6-54.50000110.2C481S403-C481 WeakPolarHBondContact O-CB 3.23Å; S403-C481 PolarHBondContact O-SG 3.26Å
404D95.6Very high89.7Confident117 Ų11766.2 Ų66.263%0.62637%0.371SS*.  trans-58.5141170.2-70.5-4.4000109.8C481 K482D404-C481 VanDerWaalsContact OD1-CA 3.32Å; D404-C481 WeakPolarHBondContact OD1-CA 3.22Å; D404-C481 WeakPolarHBondContact OD1-CB 3.35Å; D404-K482 WeakPolarHBondContact CA-O 3.13Å; D404-K482 PolarHBondContact OD1-N 3.27Å
405R89.8Confident90.3Very high98 Ų9862.3 Ų62.337%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-147.7142.3-172.2-179.7172.4162.1176.7-3.1111.3T413 K414 K482 L483 D484R405-T413 PolarHBondContact NE-OG1 3.26Å; R405-T413 PolarHBondContact NH1-OG1 2.67Å; R405-T413 PolarHBondContact NH2-OG1 3.28Å; R405-K414 PolarHBondContact NH1-O 2.63Å; R405-K482 PolarHBondContact N-O 3.09Å; R405-L483 HydrophobicContact CB-CD1 4.36Å; R405-L483 HydrophobicContact CG-CD1 4.45Å; R405-L483 CarbonylContact O-C 3.49Å; R405-L483 WeakPolarHBondContact O-CA 3.5Å; R405-D484 PolarHBondContact O-N 3.24Å
406A91.1Very high90.4Very high52 Ų5264.6 Ų64.643%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-100145.2164.300000110.7D484 K486A406-D484 CarbonylContact C-O 3.58Å; A406-D484 WeakPolarHBondContact CA-O 3.19Å; A406-D484 HydrophobicContact CB-CB 4.36Å; A406-K486 HydrophobicContact CB-CD 4.48Å
407T90.2Very high90.1Very high13 Ų1364.3 Ų64.38%0.0836%0.356CS..EExtended strand (participates in β ladder)trans-140.2165.8172.7-162.50000110.5Y411 T413 P458 L483 D484 V485 K486T407-Y411 PolarHBondContact OG1-O 2.76Å; T407-T413 HydrophobicContact CG2-CG2 4Å; T407-P458 HydrophobicContact CG2-CG 3.81Å; T407-L483 HydrophobicContact CG2-CD1 3.99Å; T407-L483 HydrophobicContact CG2-CG 4.46Å; T407-D484 PolarHBondContact N-O 3.35Å; T407-V485 HydrophobicContact CG2-CB 4.45Å; T407-V485 HydrophobicContact CG2-CG1 4.36Å; T407-V485 HydrophobicContact CG2-CG2 3.93Å; T407-V485 CarbonylContact O-C 3.52Å; T407-V485 WeakPolarHBondContact O-CA 3.27Å; T407-K486 PolarHBondContact O-N 2.91Å
408T89Confident89.7Confident50 Ų5058.2 Ų58.231%0.30733%0.333SS..EExtended strand (participates in β ladder)trans-102.3142.4-179.6-53.90000109.8G410 Y411 K486 P488T408-G410 PolarHBondContact O-N 3.32Å; T408-Y411 HydrophobicContact CG2-CD2 3.95Å; T408-Y411 HydrophobicContact CG2-CE2 4.2Å; T408-Y411 PolarHBondContact O-N 2.87Å; T408-K486 CarbonylContact C-O 3.49Å; T408-K486 VanDerWaalsContact CA-O 3.27Å; T408-K486 WeakPolarHBondContact CA-O 2.95Å; T408-P488 HydrophobicContact CG2-CB 3.96Å; T408-P488 HydrophobicContact CG2-CG 4.34Å
409V90.3Very high89.6Confident46 Ų4657.5 Ų57.528%0.27933%0.33SS..THydrogen-bonded Turntrans-48.2131175.41750000110.8Y411 P458 N460 V485 K486 Q487V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.96Å; V409-P458 CarbonylContact C-O 3.52Å; V409-P458 VanDerWaalsContact CA-O 3.29Å; V409-P458 WeakPolarHBondContact CA-O 3.23Å; V409-N460 WeakPolarHBondContact CG2-OD1 3.25Å; V409-V485 HydrophobicContact CB-CG1 4.48Å; V409-V485 HydrophobicContact CG2-CG1 3.66Å; V409-K486 PolarHBondContact N-O 2.8Å; V409-Q487 HydrophobicContact CG2-CG 4.29Å
410G83.4Confident89.6Confident39 Ų3962 Ų6240%0.40234%0.338SS..THydrogen-bonded Turntrans84.8-15.217900000115.6T408 P458T408-G410 PolarHBondContact O-N 3.32Å; G410-P458 PolarHBondContact N-O 3.21Å
411Y83.9Confident89.5Confident164 Ų16459.6 Ų59.664%0.64333%0.327SS*.SBendtrans-94.2117.1177.3-69-90.1000111.1T407 T408 V409 T413 P458T407-Y411 PolarHBondContact OG1-O 2.76Å; T408-Y411 HydrophobicContact CG2-CD2 3.95Å; T408-Y411 HydrophobicContact CG2-CE2 4.2Å; T408-Y411 PolarHBondContact O-N 2.87Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 2.96Å; Y411-T413 PolarHBondContact O-N 2.99Å; Y411-P458 WeakPolarHBondContact O-CD 3.28Å; Y411-P458 WeakPolarHBondContact O-CG 3.44Å
412S90.6Very high89.1Confident59 Ų5958 Ų5841%0.41332%0.317SS..  trans-57.6139.4-179.3-60.40000111.9I455 R456 K457S412-I455 VanDerWaalsContact CA-O 3.31Å; S412-I455 WeakPolarHBondContact CA-O 3.14Å; S412-R456 WeakPolarHBondContact OG-CA 3.38Å; S412-K457 PolarHBondContact OG-N 2.72Å
413T90.8Very high88.9Confident2 Ų259.9 Ų59.91%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-125155-179.1177.70000110.3R405 T407 Y411 E454 I455 P458 L483R405-T413 PolarHBondContact NE-OG1 3.26Å; R405-T413 PolarHBondContact NH1-OG1 2.67Å; R405-T413 PolarHBondContact NH2-OG1 3.28Å; T407-T413 HydrophobicContact CG2-CG2 4Å; Y411-T413 PolarHBondContact O-N 2.99Å; T413-E454 CarbonylContact O-C 3.54Å; T413-E454 WeakPolarHBondContact O-CA 3.47Å; T413-I455 HydrophobicContact CG2-CB 3.79Å; T413-I455 HydrophobicContact CG2-CD1 3.98Å; T413-I455 HydrophobicContact CG2-CG1 4.31Å; T413-I455 PolarHBondContact N-O 3.34Å; T413-I455 PolarHBondContact O-N 3.18Å; T413-P458 HydrophobicContact CG2-CG 4.32Å; T413-L483 HydrophobicContact CG2-CD1 4.13Å; T413-L483 HydrophobicContact CG2-CD2 4.08Å
414K93.9Very high88.6Confident97 Ų9763.8 Ų63.842%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-133.2126.8-178.3-169.6174.1-178.5179.30110.2R405 S452 L453 E454R405-K414 PolarHBondContact NH1-O 2.63Å; K414-S452 WeakPolarHBondContact CE-OG 3.36Å; K414-S452 PolarHBondContact NZ-OG 3.07Å; K414-L453 WeakPolarHBondContact CA-O 3.42Å; K414-E454 HydrophobicContact CG-CB 4.44Å
415L93.6Very high88.4Confident5 Ų559 Ų593%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-96.7136.9170.5-53.3-176.8000108.2L402 W429 S452 L453 I455 Y466L402-L415 HydrophobicContact CD2-CB 4.17Å; L415-W429 HydrophobicContact CB-CH2 4.08Å; L415-W429 HydrophobicContact CB-CZ3 4.19Å; L415-W429 HydrophobicContact CD1-CZ3 4.33Å; L415-S452 WeakPolarHBondContact O-CA 3.4Å; L415-S452 WeakPolarHBondContact O-CB 3.03Å; L415-L453 HydrophobicContact CB-CB 4.43Å; L415-L453 HydrophobicContact CD1-CD2 4.35Å; L415-L453 PolarHBondContact N-O 2.84Å; L415-L453 PolarHBondContact O-N 3.02Å; L415-I455 HydrophobicContact CD1-CD1 4.44Å; L415-Y466 VanDerWaalsContact CD1-CB 3.45Å; L415-Y466 HydrophobicContact CD1-CD1 4.13Å; L415-Y466 HydrophobicContact CD1-CD2 4.21Å; L415-Y466 HydrophobicContact CD1-CG 3.67Å
416L91.3Very high88.6Confident94 Ų9461.9 Ų61.949%0.49233%0.325SS..EExtended strand (participates in β ladder)trans-135.8132.7-172.8-175.570.5000109.8I450L416-I450 HydrophobicContact CD1-CG2 3.66Å
417C88.5Confident88.8Confident0 Ų061.2 Ų61.20%031%0.314CS..EExtended strand (participates in β ladder)trans-145.1164.5171.558.80000109.8F398 T400 L402 C451 C468 I479F398-C417 HydrophobicContact CD1-CB 4.11Å; F398-C417 HydrophobicContact CE1-CB 4.3Å; T400-C417 VanDerWaalsContact O-CB 3.3Å; T400-C417 WeakPolarHBondContact O-CB 3.16Å; L402-C417 HydrophobicContact CD2-CB 3.78Å; L402-C417 HydrophobicContact CG-CB 4.26Å; C417-C451 PolarHBondContact N-O 2.89Å; C417-C451 PolarHBondContact O-N 3.16Å; C417-C468 VanDerWaalsContact SG-SG 3.66Å; C417-I479 HydrophobicContact CB-CD1 3.47Å; C417-I479 VanDerWaalsContact CB-CD1 3.47Å
418S84.4Confident89.1Confident25 Ų2562.8 Ų62.818%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-125.9133.5176.5-62.20000108.7F398 T399 T400 G449F398-S418 CarbonylContact C-O 3.48Å; F398-S418 VanDerWaalsContact CA-O 3.26Å; F398-S418 WeakPolarHBondContact CA-O 3.02Å; T399-S418 PolarHBondContact N-O 2.82Å; T399-S418 WeakPolarHBondContact OG1-CB 3.37Å; T399-S418 PolarHBondContact OG1-O 3.33Å; T400-S418 PolarHBondContact N-O 3.41Å; T400-S418 PolarHBondContact O-N 3.33Å; S418-G449 CarbonylContact C-O 3.51Å; S418-G449 VanDerWaalsContact CA-O 3.28Å; S418-G449 WeakPolarHBondContact CA-O 3.23Å
419V89.6Confident89.5Confident8 Ų860.6 Ų60.65%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-129.8136.5-176.564.90000110.2P396 F398 I427 G449 C451 A470P396-V419 HydrophobicContact CB-CG2 4.23Å; F398-V419 HydrophobicContact CD1-CB 3.68Å; F398-V419 HydrophobicContact CD1-CG2 4.08Å; F398-V419 HydrophobicContact CE1-CB 3.72Å; F398-V419 HydrophobicContact CE1-CG1 4.45Å; F398-V419 HydrophobicContact CE1-CG2 4.07Å; F398-V419 HydrophobicContact CG-CB 4.36Å; F398-V419 HydrophobicContact CG-CG2 4.35Å; F398-V419 HydrophobicContact CZ-CB 4.42Å; F398-V419 HydrophobicContact CZ-CG2 4.32Å; V419-I427 HydrophobicContact CG1-CD1 3.78Å; V419-G449 PolarHBondContact N-O 2.88Å; V419-G449 VanDerWaalsContact O-CA 3.3Å; V419-G449 WeakPolarHBondContact O-CA 3.41Å; V419-C451 VanDerWaalsContact CG1-SG 3.58Å; V419-A470 HydrophobicContact CG2-CB 3.69Å
420R84.6Confident89.8Confident175 Ų17559 Ų5966%0.6630%0.296SS*.EExtended strand (participates in β ladder)trans-111.2157.8167.8-70.3-172.1178.4-159.10.3109.2P396 K397 T399P396-R420 CarbonylContact C-O 3.53Å; P396-R420 VanDerWaalsContact CA-O 3.26Å; P396-R420 WeakPolarHBondContact CA-O 3.36Å; K397-R420 PolarHBondContact N-O 2.96Å; K397-R420 PolarHBondContact O-N 3.31Å; T399-R420 HydrophobicContact CG2-CB 4.33Å; T399-R420 HydrophobicContact CG2-CG 3.78Å
421G85.1Confident90.4Very high20 Ų2059.2 Ų59.221%0.20629%0.286CS..EExtended strand (participates in β ladder)trans163.1149.6178.100000109E394 P423 P425E394-G421 WeakPolarHBondContact O-CA 3.45Å; G421-P423 CarbonylContact C-O 3.58Å; G421-P425 WeakPolarHBondContact O-CD 3.49Å
422S82.4Confident90.9Very high48 Ų4855.6 Ų55.634%0.33628%0.278SS..EExtended strand (participates in β ladder)trans-145.9123.4-178.6170.30000108F392 N393 E394 N472F392-S422 WeakPolarHBondContact O-CB 3.48Å; F392-S422 PolarHBondContact O-OG 3.24Å; N393-S422 CarbonylContact C-O 3.51Å; N393-S422 WeakPolarHBondContact CA-O 3.39Å; E394-S422 PolarHBondContact N-O 2.91Å; E394-S422 VanDerWaalsContact N-O 3.07Å; E394-S422 PolarHBondContact O-N 2.82Å; S422-N472 PolarHBondContact N-ND2 3.15Å; S422-N472 PolarHBondContact O-ND2 2.9Å
423P87.9Confident90.9Very high52 Ų5259.4 Ų59.434%0.33829%0.289SS..SBendcis-58.2161.5-1.5-24.835.6000114.6G421 P425 N472 H474G421-P423 CarbonylContact C-O 3.58Å; P423-P425 WeakPolarHBondContact O-CD 3.34Å; P423-P425 VanDerWaalsContact O-N 3.16Å; P423-N472 VanDerWaalsContact O-CB 3.31Å; P423-N472 WeakPolarHBondContact O-CB 3.38Å; P423-N472 PolarHBondContact O-ND2 2.97Å; P423-H474 WeakPolarHBondContact CD-CD2 3.12Å
424K85.3Confident91Very high175 Ų17566.3 Ų66.376%0.76132%0.323SS*.PPolyproline II helixtrans-50.6118.9-174.8-178.8-178.4176.7-177.10110.8
425P90.8Very high91Very high17 Ų1766.5 Ų66.511%0.1133%0.328CS..PPolyproline II helixtrans-65.2137.6-177.5-22.133000112.5P396 G421 P423 I427 A470 K471P396-P425 HydrophobicContact CB-CB 4.03Å; P396-P425 HydrophobicContact CB-CG 3.84Å; P396-P425 HydrophobicContact CG-CB 3.92Å; P396-P425 HydrophobicContact CG-CG 3.89Å; G421-P425 WeakPolarHBondContact O-CD 3.49Å; P423-P425 WeakPolarHBondContact O-CD 3.34Å; P423-P425 VanDerWaalsContact O-N 3.16Å; P425-I427 HydrophobicContact CB-CD1 4.25Å; P425-A470 HydrophobicContact CB-CB 3.94Å; P425-K471 CarbonylContact C-O 3.53Å; P425-K471 WeakPolarHBondContact CA-O 3.37Å
426K94.1Very high91Very high158 Ų15867 Ų6769%0.68733%0.33SS*.EExtended strand (participates in β ladder)trans-75.7130.7164.3-173.3179.3179.1-175.70108.7A470 K471K426-A470 WeakPolarHBondContact O-CA 3.31Å; K426-K471 PolarHBondContact N-O 2.85Å; K426-K471 PolarHBondContact O-N 2.83Å
427I95.8Very high90.8Very high38 Ų3864.9 Ų64.920%0.19533%0.331CS..EExtended strand (participates in β ladder)trans-105.6133.7-175-51.9-61.3000109.9V419 P425 C446 C451 R469 A470V419-I427 HydrophobicContact CG1-CD1 3.78Å; P425-I427 HydrophobicContact CB-CD1 4.25Å; I427-C446 HydrophobicContact CG1-CB 4.09Å; I427-C451 VanDerWaalsContact CG1-SG 3.53Å; I427-C451 HydrophobicContact CG2-CB 4.37Å; I427-R469 CarbonylContact C-O 3.6Å; I427-R469 WeakPolarHBondContact CA-O 3.2Å; I427-A470 HydrophobicContact CD1-CB 3.65Å
428E96.4Very high90.6Very high47 Ų4773.2 Ų73.222%0.2238%0.376CS..EExtended strand (participates in β ladder)trans-135.6120.7-179.9-174.8169.6-99.900109I435 R469E428-I435 HydrophobicContact CG-CD1 4.4Å; E428-I435 HydrophobicContact CG-CG1 4.05Å; E428-I435 HydrophobicContact CG-CG2 3.82Å; E428-I435 WeakPolarHBondContact OE1-CD1 3.38Å; E428-R469 HydrophobicContact CB-CB 4.4Å; E428-R469 PolarHBondContact N-O 3.22Å; E428-R469 PolarHBondContact O-N 2.9Å; E428-R469 IonicContact OE2-NH1 3.08Å; E428-R469 PolarHBondContact OE2-NH1 3.1Å; E428-R469 VanDerWaalsContact OE2-NH1 3.08Å
429W97.3Very high90.8Very high3 Ų375.3 Ų75.31%0.01139%0.385CS..EExtended strand (participates in β ladder)trans-92.9139.9175.9-73.991.7000110.5L402 L415 I436 Q444 C451 L453 S467 C468L402-W429 HydrophobicContact CD1-CH2 4.35Å; L402-W429 HydrophobicContact CD1-CZ3 3.92Å; L402-W429 HydrophobicContact CD2-CH2 3.77Å; L402-W429 HydrophobicContact CD2-CZ3 4.1Å; L415-W429 HydrophobicContact CB-CH2 4.08Å; L415-W429 HydrophobicContact CB-CZ3 4.19Å; L415-W429 HydrophobicContact CD1-CZ3 4.33Å; W429-I436 HydrophobicContact CB-CD1 4.06Å; W429-I436 PolarHBondContact O-N 3.39Å; W429-Q444 VanDerWaalsContact CD1-OE1 3.3Å; W429-C451 HydrophobicContact CZ2-CB 4.49Å; W429-L453 HydrophobicContact CB-CD1 4.29Å; W429-L453 HydrophobicContact CB-CD2 4.31Å; W429-L453 HydrophobicContact CD2-CB 3.61Å; W429-L453 HydrophobicContact CD2-CD1 4.42Å; W429-L453 HydrophobicContact CD2-CD2 3.99Å; W429-L453 HydrophobicContact CD2-CG 4.22Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.67Å; W429-L453 HydrophobicContact CE3-CG 4.29Å; W429-L453 HydrophobicContact CG-CB 4.18Å; W429-L453 HydrophobicContact CG-CD1 4.14Å; W429-L453 HydrophobicContact CG-CD2 4.28Å; W429-L453 HydrophobicContact CG-CG 4.45Å; W429-L453 HydrophobicContact CH2-CB 3.85Å; W429-L453 HydrophobicContact CZ2-CB 3.76Å; W429-L453 HydrophobicContact CZ3-CB 3.87Å; W429-L453 HydrophobicContact CZ3-CD2 4.22Å; W429-S467 WeakPolarHBondContact CA-O 3.4Å; W429-C468 HydrophobicContact CD2-CB 4.16Å; W429-C468 HydrophobicContact CE3-CB 3.89Å; W429-C468 HydrophobicContact CH2-CB 3.86Å; W429-C468 HydrophobicContact CZ2-CB 4.07Å; W429-C468 HydrophobicContact CZ3-CB 3.75Å
430M97.3Very high90.8Very high13 Ų1379.9 Ų79.96%0.06441%0.414CS..EExtended strand (participates in β ladder)trans-128.5144.7179.1-62.8169.5-69.800110.2M434 I435 Y466 S467 R469 I478M430-M434 CarbonylContact C-O 3.46Å; M430-M434 WeakPolarHBondContact CA-O 3.29Å; M430-M434 WeakPolarHBondContact CB-O 2.97Å; M430-I435 HydrophobicContact CG-CG1 4.08Å; M430-Y466 CarbonylContact O-C 3.59Å; M430-Y466 WeakPolarHBondContact O-CA 3.25Å; M430-S467 PolarHBondContact N-O 2.89Å; M430-S467 PolarHBondContact O-N 2.74Å; M430-R469 HydrophobicContact CE-CB 3.62Å; M430-I478 HydrophobicContact CE-CD1 4.49Å; M430-I478 HydrophobicContact CE-CG2 4.25Å
431K95.8Very high91.1Very high43 Ų4374.7 Ų74.719%0.18740%0.397CS..EExtended strand (participates in β ladder)trans-118.5122.6168.6-179.2-172176.5-166.40107.9Q433 M434 I436 F461 D462 Y466K431-Q433 VanDerWaalsContact C-N 3.25Å; K431-Q433 PolarHBondContact O-N 2.98Å; K431-M434 PolarHBondContact N-O 2.79Å; K431-M434 PolarHBondContact O-N 3.34Å; K431-I436 HydrophobicContact CB-CD1 4.12Å; K431-I436 HydrophobicContact CB-CG1 4.12Å; K431-F461 PolarHBondContact NZ-O 2.69Å; K431-D462 IonicContact NZ-OD1 3.51Å; K431-Y466 HydrophobicContact CB-CD1 4.15Å; K431-Y466 HydrophobicContact CB-CE1 3.86Å; K431-Y466 HydrophobicContact CD-CE1 4.02Å; K431-Y466 WeakPolarHBondContact CD-OH 3.23Å; K431-Y466 WeakPolarHBondContact CE-OH 3.32Å; K431-Y466 HydrophobicContact CG-CD1 4.36Å; K431-Y466 HydrophobicContact CG-CE1 3.83Å; K431-Y466 HydrophobicContact CG-CE2 4.27Å
432N93.2Very high91.6Very high88 Ų8875 Ų7547%0.47139%0.393SS..THydrogen-bonded Turntrans49.347.3-177.4-57.4-29.5000112.1M434 G464 V465N432-M434 PolarHBondContact O-N 2.86Å; N432-M434 VanDerWaalsContact O-N 3.16Å; N432-G464 WeakPolarHBondContact OD1-CA 3.17Å; N432-V465 PolarHBondContact N-O 2.96Å; N432-V465 PolarHBondContact OD1-N 2.94Å
433Q90.9Very high92.1Very high139 Ų13978 Ų7865%0.6540%0.397SS*.THydrogen-bonded Turntrans67.7-0.4-177.3-52.7-65.1-43.600116.1K431K431-Q433 VanDerWaalsContact C-N 3.25Å; K431-Q433 PolarHBondContact O-N 2.98Å
434M92.3Very high92.4Very high147 Ų14779.1 Ų79.172%0.72440%0.397SS*.EExtended strand (participates in β ladder)trans-95.4132.1173.7-63.8-172.473.600110.8M430 K431 N432 I436M430-M434 CarbonylContact C-O 3.46Å; M430-M434 WeakPolarHBondContact CA-O 3.29Å; M430-M434 WeakPolarHBondContact CB-O 2.97Å; K431-M434 PolarHBondContact N-O 2.79Å; K431-M434 PolarHBondContact O-N 3.34Å; N432-M434 PolarHBondContact O-N 2.86Å; N432-M434 VanDerWaalsContact O-N 3.16Å; M434-I436 PolarHBondContact O-N 2.62Å
435I94.7Very high92.5Very high101 Ų10174 Ų7452%0.51838%0.377SS..EExtended strand (participates in β ladder)trans-61.7130.4177-62.3166.2000109.5E428 M430 G437E428-I435 HydrophobicContact CG-CD1 4.4Å; E428-I435 HydrophobicContact CG-CG1 4.05Å; E428-I435 HydrophobicContact CG-CG2 3.82Å; E428-I435 WeakPolarHBondContact OE1-CD1 3.38Å; M430-I435 HydrophobicContact CG-CG1 4.08Å; I435-G437 PolarHBondContact O-N 3.32Å
436I93.9Very high92.2Very high16 Ų1675.1 Ų75.18%0.08239%0.385CS..  trans-78.4109173.8-57.8178.8000107.5W429 K431 M434 F442 Q444 L453 Y466W429-I436 HydrophobicContact CB-CD1 4.06Å; W429-I436 PolarHBondContact O-N 3.39Å; K431-I436 HydrophobicContact CB-CD1 4.12Å; K431-I436 HydrophobicContact CB-CG1 4.12Å; M434-I436 PolarHBondContact O-N 2.62Å; I436-F442 HydrophobicContact CD1-CD1 4.14Å; I436-F442 HydrophobicContact CD1-CE1 4.27Å; I436-F442 HydrophobicContact CG2-CB 3.73Å; I436-F442 HydrophobicContact CG2-CD1 4.21Å; I436-F442 HydrophobicContact CG2-CD2 3.55Å; I436-F442 HydrophobicContact CG2-CE2 4.19Å; I436-F442 HydrophobicContact CG2-CG 3.55Å; I436-Q444 PolarHBondContact O-NE2 2.81Å; I436-L453 HydrophobicContact CD1-CD1 4.29Å; I436-L453 HydrophobicContact CD1-CD2 3.71Å; I436-Y466 HydrophobicContact CD1-CD1 4.12Å; I436-Y466 HydrophobicContact CD1-CE1 4.06Å
437G86.6Confident91.5Very high49 Ų4971.9 Ų71.951%0.50538%0.378SS..  trans-73.3-166.9175.600000113.6I435 D439I435-G437 PolarHBondContact O-N 3.32Å; G437-D439 VanDerWaalsContact C-N 3.34Å; G437-D439 PolarHBondContact O-N 2.79Å
438D83.7Confident90.7Very high176 Ų17679 Ų7994%0.94141%0.411SS*.SBendtrans-75.485.4175.5-166.818.1000110.2
439D89.4Confident89.9Confident69 Ų6977.9 Ų77.937%0.36941%0.412SS..  trans-120.4123.2176.7177-21.8000108.6G437 K441 F442G437-D439 VanDerWaalsContact C-N 3.34Å; G437-D439 PolarHBondContact O-N 2.79Å; D439-K441 PolarHBondContact O-N 3.06Å; D439-K441 WeakPolarHBondContact OD1-CB 3.28Å; D439-K441 PolarHBondContact OD1-N 2.84Å; D439-F442 HydrophobicContact CB-CD2 3.98Å; D439-F442 PolarHBondContact O-N 3.05Å
440P88.6Confident89.5Confident103 Ų10382.1 Ų82.167%0.66943%0.434SS*.THydrogen-bonded Turntrans-55.7-18.9-179.4-25.333.2000115.4F442 R456P440-F442 VanDerWaalsContact C-N 3.28Å; P440-R456 WeakPolarHBondContact O-CD 3.36Å; P440-R456 PolarHBondContact O-NH1 2.71Å; P440-R456 VanDerWaalsContact O-NH1 3.15Å
441K92Very high89.2Confident67 Ų6781.5 Ų81.529%0.29143%0.431SS..THydrogen-bonded Turntrans-66.5-29.6174.1-165-179.5-156.8-179.50112.5D439 R456 D462D439-K441 PolarHBondContact O-N 3.06Å; D439-K441 WeakPolarHBondContact OD1-CB 3.28Å; D439-K441 PolarHBondContact OD1-N 2.84Å; K441-R456 WeakPolarHBondContact O-CB 3.37Å; K441-R456 PolarHBondContact O-N 2.88Å; K441-D462 WeakPolarHBondContact CE-OD2 3.5Å; K441-D462 IonicContact NZ-OD1 3.08Å; K441-D462 PolarHBondContact NZ-OD1 2.69Å; K441-D462 IonicContact NZ-OD2 2.75Å; K441-D462 PolarHBondContact NZ-OD2 2.82Å
442F95.1Very high89.2Confident27 Ų2779.7 Ų79.712%0.11842%0.423CS..EExtended strand (participates in β ladder)trans-110.8114.5-177.6-61-77.8000110.2I436 D439 P440 L453 E454 I455 Y466I436-F442 HydrophobicContact CD1-CD1 4.14Å; I436-F442 HydrophobicContact CD1-CE1 4.27Å; I436-F442 HydrophobicContact CG2-CB 3.73Å; I436-F442 HydrophobicContact CG2-CD1 4.21Å; I436-F442 HydrophobicContact CG2-CD2 3.55Å; I436-F442 HydrophobicContact CG2-CE2 4.19Å; I436-F442 HydrophobicContact CG2-CG 3.55Å; D439-F442 HydrophobicContact CB-CD2 3.98Å; D439-F442 PolarHBondContact O-N 3.05Å; P440-F442 VanDerWaalsContact C-N 3.28Å; F442-L453 HydrophobicContact CB-CD1 3.97Å; F442-L453 HydrophobicContact CD1-CD1 4.13Å; F442-L453 HydrophobicContact CD1-CD2 4.49Å; F442-L453 HydrophobicContact CD1-CG 4.5Å; F442-L453 HydrophobicContact CG-CD1 4.47Å; F442-E454 CarbonylContact C-O 3.55Å; F442-E454 WeakPolarHBondContact CA-O 3.37Å; F442-I455 HydrophobicContact CD1-CB 4.47Å; F442-I455 HydrophobicContact CD1-CG1 3.92Å; F442-I455 HydrophobicContact CD1-CG2 4.34Å; F442-I455 HydrophobicContact CE1-CB 4.42Å; F442-I455 HydrophobicContact CE1-CG1 3.93Å; F442-I455 HydrophobicContact CE1-CG2 3.91Å; F442-Y466 HydrophobicContact CE1-CE1 4.01Å
443R94.2Very high89.3Confident111 Ų11175.5 Ų75.542%0.41940%0.401SS..EExtended strand (participates in β ladder)trans-101.3110.4172.5179.8170.367162.65.5110.1I445 E454R443-I445 HydrophobicContact CG-CD1 4.22Å; R443-I445 HydrophobicContact CG-CG1 4.18Å; R443-E454 HydrophobicContact CB-CB 4.23Å; R443-E454 IonicContact CZ-OE2 2.59Å; R443-E454 PolarHBondContact N-O 2.92Å; R443-E454 IonicContact NE-OE2 2.63Å; R443-E454 PolarHBondContact NE-OE2 2.89Å; R443-E454 IonicContact NH2-OE1 3.03Å; R443-E454 IonicContact NH2-OE2 2.87Å; R443-E454 PolarHBondContact NH2-OE2 2.89Å; R443-E454 PolarHBondContact O-N 2.93Å
444Q93.1Very high89.6Confident74 Ų7470.6 Ų70.635%0.34638%0.378SS..EExtended strand (participates in β ladder)trans-98127.4179.5-54.5-176.944.200109.9W429 I436 S452 L453W429-Q444 VanDerWaalsContact CD1-OE1 3.3Å; I436-Q444 PolarHBondContact O-NE2 2.81Å; Q444-S452 WeakPolarHBondContact CA-O 3.33Å; Q444-L453 HydrophobicContact CG-CD1 3.63Å
445I88.3Confident89.8Confident67 Ų6763.6 Ų63.634%0.34434%0.344SS..EExtended strand (participates in β ladder)trans-136.9127.1177.2-59.5173.8000107.9R443 V447 C451 S452R443-I445 HydrophobicContact CG-CD1 4.22Å; R443-I445 HydrophobicContact CG-CG1 4.18Å; I445-V447 HydrophobicContact CG2-CG2 3.94Å; I445-C451 CarbonylContact O-C 3.56Å; I445-C451 WeakPolarHBondContact O-CA 3.23Å; I445-S452 PolarHBondContact N-O 2.84Å; I445-S452 PolarHBondContact O-N 3.13Å
446C84.4Confident89.8Confident42 Ų4263.5 Ų63.528%0.28434%0.337SS..EExtended strand (participates in β ladder)trans-134.2111.5164.9-1620000112.2I427 I450 C451I427-C446 HydrophobicContact CG1-CB 4.09Å; C446-I450 VanDerWaalsContact CA-O 3.31Å; C446-I450 WeakPolarHBondContact CA-O 3.4Å; C446-I450 VanDerWaalsContact SG-C 3.56Å; C446-I450 PolarHBondContact SG-O 2.96Å; C446-C451 HydrophobicContact CB-CB 3.77Å; C446-C451 WeakPolarHBondContact CB-SG 3.27Å; C446-C451 WeakPolarHBondContact SG-CA 3.35Å; C446-C451 WeakPolarHBondContact SG-CB 3.42Å; C446-C451 CovalentContact SG-SG 2.07Å; C446-C451 PolarHBondContact SG-SG 2.83Å
447V79.3Confident89.6Confident89 Ų8970.3 Ų70.354%0.53937%0.366SS..EExtended strand (participates in β ladder)trans-126.9128.7-177.4179.80000108.1I445 G449 I450I445-V447 HydrophobicContact CG2-CG2 3.94Å; V447-G449 PolarHBondContact O-N 2.82Å; V447-G449 VanDerWaalsContact O-N 3.1Å; V447-I450 PolarHBondContact N-O 2.9Å; V447-I450 VanDerWaalsContact N-O 3.14Å; V447-I450 PolarHBondContact O-N 2.97Å
448Q79.4Confident89.8Confident188 Ų18868 Ų6888%0.87934%0.342SS*.THydrogen-bonded Turntrans50.236.6178.9-64.2177.8-27.800114.2I450Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.08Å
449G78.3Confident90.1Very high23 Ų2360.7 Ų60.724%0.23731%0.308CS..THydrogen-bonded Turntrans83-4.2178.800000115.1S418 V419 V447S418-G449 CarbonylContact C-O 3.51Å; S418-G449 VanDerWaalsContact CA-O 3.28Å; S418-G449 WeakPolarHBondContact CA-O 3.23Å; V419-G449 PolarHBondContact N-O 2.88Å; V419-G449 VanDerWaalsContact O-CA 3.3Å; V419-G449 WeakPolarHBondContact O-CA 3.41Å; V447-G449 PolarHBondContact O-N 2.82Å; V447-G449 VanDerWaalsContact O-N 3.1Å
450I89.3Confident90Very high92 Ų9261.5 Ų61.547%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-91.1110.5172.8-57.8174.9000108.1L416 C446 V447 Q448L416-I450 HydrophobicContact CD1-CG2 3.66Å; C446-I450 VanDerWaalsContact CA-O 3.31Å; C446-I450 WeakPolarHBondContact CA-O 3.4Å; C446-I450 VanDerWaalsContact SG-C 3.56Å; C446-I450 PolarHBondContact SG-O 2.96Å; V447-I450 PolarHBondContact N-O 2.9Å; V447-I450 VanDerWaalsContact N-O 3.14Å; V447-I450 PolarHBondContact O-N 2.97Å; Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.08Å
451C91Very high90Very high0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-109.3134.7-177.1-56.20000111.3C417 V419 I427 W429 I445 C446C417-C451 PolarHBondContact N-O 2.89Å; C417-C451 PolarHBondContact O-N 3.16Å; V419-C451 VanDerWaalsContact CG1-SG 3.58Å; I427-C451 VanDerWaalsContact CG1-SG 3.53Å; I427-C451 HydrophobicContact CG2-CB 4.37Å; W429-C451 HydrophobicContact CZ2-CB 4.49Å; I445-C451 CarbonylContact O-C 3.56Å; I445-C451 WeakPolarHBondContact O-CA 3.23Å; C446-C451 HydrophobicContact CB-CB 3.77Å; C446-C451 WeakPolarHBondContact CB-SG 3.27Å; C446-C451 WeakPolarHBondContact SG-CA 3.35Å; C446-C451 WeakPolarHBondContact SG-CB 3.42Å; C446-C451 CovalentContact SG-SG 2.07Å; C446-C451 PolarHBondContact SG-SG 2.83Å
452S95.2Very high90.1Very high5 Ų562.8 Ų62.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-139.8143.9179.466.50000113.8K414 L415 Q444 I445K414-S452 WeakPolarHBondContact CE-OG 3.36Å; K414-S452 PolarHBondContact NZ-OG 3.07Å; L415-S452 WeakPolarHBondContact O-CA 3.4Å; L415-S452 WeakPolarHBondContact O-CB 3.03Å; Q444-S452 WeakPolarHBondContact CA-O 3.33Å; I445-S452 PolarHBondContact N-O 2.84Å; I445-S452 PolarHBondContact O-N 3.13Å
453L96.5Very high90Very high0 Ų062.6 Ų62.60%031%0.314CS..EExtended strand (participates in β ladder)trans-118.7111.5171.8179.271.9000108.1K414 L415 W429 I436 F442 Q444 I455 Y466K414-L453 WeakPolarHBondContact CA-O 3.42Å; L415-L453 HydrophobicContact CB-CB 4.43Å; L415-L453 HydrophobicContact CD1-CD2 4.35Å; L415-L453 PolarHBondContact N-O 2.84Å; L415-L453 PolarHBondContact O-N 3.02Å; W429-L453 HydrophobicContact CB-CD1 4.29Å; W429-L453 HydrophobicContact CB-CD2 4.31Å; W429-L453 HydrophobicContact CD2-CB 3.61Å; W429-L453 HydrophobicContact CD2-CD1 4.42Å; W429-L453 HydrophobicContact CD2-CD2 3.99Å; W429-L453 HydrophobicContact CD2-CG 4.22Å; W429-L453 HydrophobicContact CE3-CB 3.76Å; W429-L453 HydrophobicContact CE3-CD2 3.67Å; W429-L453 HydrophobicContact CE3-CG 4.29Å; W429-L453 HydrophobicContact CG-CB 4.18Å; W429-L453 HydrophobicContact CG-CD1 4.14Å; W429-L453 HydrophobicContact CG-CD2 4.28Å; W429-L453 HydrophobicContact CG-CG 4.45Å; W429-L453 HydrophobicContact CH2-CB 3.85Å; W429-L453 HydrophobicContact CZ2-CB 3.76Å; W429-L453 HydrophobicContact CZ3-CB 3.87Å; W429-L453 HydrophobicContact CZ3-CD2 4.22Å; I436-L453 HydrophobicContact CD1-CD1 4.29Å; I436-L453 HydrophobicContact CD1-CD2 3.71Å; F442-L453 HydrophobicContact CB-CD1 3.97Å; F442-L453 HydrophobicContact CD1-CD1 4.13Å; F442-L453 HydrophobicContact CD1-CD2 4.49Å; F442-L453 HydrophobicContact CD1-CG 4.5Å; F442-L453 HydrophobicContact CG-CD1 4.47Å; Q444-L453 HydrophobicContact CG-CD1 3.63Å; L453-I455 HydrophobicContact CD2-CG1 4.4Å; L453-I455 HydrophobicContact CG-CG1 4.34Å; L453-Y466 HydrophobicContact CD2-CD1 3.61Å; L453-Y466 HydrophobicContact CD2-CE1 4.01Å
454E96.3Very high90Very high36 Ų3658.1 Ų58.117%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-93.6128169.2-179.1-173-174.200109.9T413 K414 F442 R443 R456T413-E454 CarbonylContact O-C 3.54Å; T413-E454 WeakPolarHBondContact O-CA 3.47Å; K414-E454 HydrophobicContact CG-CB 4.44Å; F442-E454 CarbonylContact C-O 3.55Å; F442-E454 WeakPolarHBondContact CA-O 3.37Å; R443-E454 HydrophobicContact CB-CB 4.23Å; R443-E454 IonicContact CZ-OE2 2.59Å; R443-E454 PolarHBondContact N-O 2.92Å; R443-E454 IonicContact NE-OE2 2.63Å; R443-E454 PolarHBondContact NE-OE2 2.89Å; R443-E454 IonicContact NH2-OE1 3.03Å; R443-E454 IonicContact NH2-OE2 2.87Å; R443-E454 PolarHBondContact NH2-OE2 2.89Å; R443-E454 PolarHBondContact O-N 2.93Å; E454-R456 HydrophobicContact CG-CG 4.32Å
455I96.1Very high90.2Very high0 Ų057.4 Ų57.40%030%0.303CS..EExtended strand (participates in β ladder)trans-104.9109.9176.4-52.2163000106.3S412 T413 L415 F442 L453 P458 Y466 L483S412-I455 VanDerWaalsContact CA-O 3.31Å; S412-I455 WeakPolarHBondContact CA-O 3.14Å; T413-I455 HydrophobicContact CG2-CB 3.79Å; T413-I455 HydrophobicContact CG2-CD1 3.98Å; T413-I455 HydrophobicContact CG2-CG1 4.31Å; T413-I455 PolarHBondContact N-O 3.34Å; T413-I455 PolarHBondContact O-N 3.18Å; L415-I455 HydrophobicContact CD1-CD1 4.44Å; F442-I455 HydrophobicContact CD1-CB 4.47Å; F442-I455 HydrophobicContact CD1-CG1 3.92Å; F442-I455 HydrophobicContact CD1-CG2 4.34Å; F442-I455 HydrophobicContact CE1-CB 4.42Å; F442-I455 HydrophobicContact CE1-CG1 3.93Å; F442-I455 HydrophobicContact CE1-CG2 3.91Å; L453-I455 HydrophobicContact CD2-CG1 4.4Å; L453-I455 HydrophobicContact CG-CG1 4.34Å; I455-P458 HydrophobicContact CG2-CB 4Å; I455-Y466 HydrophobicContact CD1-CD1 4.3Å; I455-Y466 HydrophobicContact CD1-CE1 3.7Å; I455-Y466 HydrophobicContact CD1-CE2 4.06Å; I455-Y466 HydrophobicContact CG1-CE1 4.4Å; I455-L483 HydrophobicContact CD1-CD2 3.44Å; I455-L483 VanDerWaalsContact CD1-CD2 3.44Å
456R94.7Very high90.6Very high99 Ų9954.2 Ų54.237%0.37429%0.286SS..  trans-84.7126.9-174.8-66.5172.9172175-8.3110S412 P440 K441 E454S412-R456 WeakPolarHBondContact OG-CA 3.38Å; P440-R456 WeakPolarHBondContact O-CD 3.36Å; P440-R456 PolarHBondContact O-NH1 2.71Å; P440-R456 VanDerWaalsContact O-NH1 3.15Å; K441-R456 WeakPolarHBondContact O-CB 3.37Å; K441-R456 PolarHBondContact O-N 2.88Å; E454-R456 HydrophobicContact CG-CG 4.32Å
457K90.2Very high91.3Very high160 Ų16052.2 Ų52.270%0.69627%0.273SS*.SBendtrans44.861.5178-57.6-174.7177-177.70112.6S412S412-K457 PolarHBondContact OG-N 2.72Å
458P91.4Very high92.1Very high0 Ų048 Ų480%025%0.247CC..  trans-60.7140.3-178.627.4-34.3000111.2T407 V409 G410 Y411 T413 I455 D462 V485T407-P458 HydrophobicContact CG2-CG 3.81Å; V409-P458 CarbonylContact C-O 3.52Å; V409-P458 VanDerWaalsContact CA-O 3.29Å; V409-P458 WeakPolarHBondContact CA-O 3.23Å; G410-P458 PolarHBondContact N-O 3.21Å; Y411-P458 WeakPolarHBondContact O-CD 3.28Å; Y411-P458 WeakPolarHBondContact O-CG 3.44Å; T413-P458 HydrophobicContact CG2-CG 4.32Å; I455-P458 HydrophobicContact CG2-CB 4Å; P458-D462 WeakPolarHBondContact CA-OD2 3.5Å; P458-D462 HydrophobicContact CB-CB 3.88Å; P458-V485 HydrophobicContact CB-CG1 4.46Å; P458-V485 HydrophobicContact CB-CG2 4.21Å
459G90.4Very high92.9Very high23 Ų2342 Ų4224%0.23722%0.217CC..  trans-104.4-178169.700000112.2F461 D462G459-F461 PolarHBondContact O-N 3.37Å; G459-F461 VanDerWaalsContact O-N 3.12Å; G459-D462 PolarHBondContact N-OD2 2.95Å; G459-D462 WeakPolarHBondContact O-CB 3.38Å; G459-D462 PolarHBondContact O-N 2.78Å
460N86.9Confident93.8Very high85 Ų8541 Ų4146%0.45521%0.205SC..G310 helixtrans-57.9-30.8-175.1-64.5-14.7000113.6V409 D462 Q487V409-N460 WeakPolarHBondContact CG2-OD1 3.25Å; N460-D462 VanDerWaalsContact C-N 3.32Å; N460-Q487 PolarHBondContact ND2-NE2 3.41Å
461F89.1Confident94.1Very high191 Ų19142 Ų4284%0.83821%0.206SC*.G310 helixtrans-85.3-2.6179.4-57.1-73000113.7K431 G459 G463K431-F461 PolarHBondContact NZ-O 2.69Å; G459-F461 PolarHBondContact O-N 3.37Å; G459-F461 VanDerWaalsContact O-N 3.12Å; F461-G463 VanDerWaalsContact C-N 3.34Å
462D92.2Very high94.2Very high7 Ų742.6 Ų42.64%0.03721%0.21CC..G310 helixtrans-85.6-8.8177.2-63.1-52000113.6K431 K441 P458 G459 N460 Y466 V485K431-D462 IonicContact NZ-OD1 3.51Å; K441-D462 WeakPolarHBondContact CE-OD2 3.5Å; K441-D462 IonicContact NZ-OD1 3.08Å; K441-D462 PolarHBondContact NZ-OD1 2.69Å; K441-D462 IonicContact NZ-OD2 2.75Å; K441-D462 PolarHBondContact NZ-OD2 2.82Å; P458-D462 WeakPolarHBondContact CA-OD2 3.5Å; P458-D462 HydrophobicContact CB-CB 3.88Å; G459-D462 PolarHBondContact N-OD2 2.95Å; G459-D462 WeakPolarHBondContact O-CB 3.38Å; G459-D462 PolarHBondContact O-N 2.78Å; N460-D462 VanDerWaalsContact C-N 3.32Å; D462-Y466 VanDerWaalsContact O-CE2 3.28Å; D462-Y466 WeakPolarHBondContact O-CE2 3.08Å; D462-Y466 PolarHBondContact O-OH 3.13Å; D462-V485 HydrophobicContact CB-CG2 4.43Å
463G93.2Very high94.1Very high23 Ų2349.1 Ų49.124%0.23724%0.244CC..  trans-63.6149.2166.800000111.6F461 L483F461-G463 VanDerWaalsContact C-N 3.34Å; G463-L483 CarbonylContact C-O 3.55Å; G463-L483 WeakPolarHBondContact CA-O 3.49Å
464G94.7Very high93.8Very high16 Ų1653.2 Ų53.217%0.16526%0.263CS..EExtended strand (participates in β ladder)trans151.6-172.4-179.400000113.2N432 L483N432-G464 WeakPolarHBondContact OD1-CA 3.17Å; G464-L483 PolarHBondContact N-O 2.79Å; G464-L483 PolarHBondContact O-N 2.7Å
465V97.3Very high93.7Very high60 Ų6052.8 Ų52.836%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-90.7121.4176.5-179.60000108.5N432 C481N432-V465 PolarHBondContact N-O 2.96Å; N432-V465 PolarHBondContact OD1-N 2.94Å; V465-C481 CarbonylContact C-O 3.36Å; V465-C481 WeakPolarHBondContact CA-O 3.45Å
466Y97.6Very high93.6Very high0 Ų057.8 Ų57.80%029%0.292CS..EExtended strand (participates in β ladder)trans-104.9133174.7-73.7-95.2000109.4L415 M430 K431 I436 F442 L453 I455 D462 S480 C481 L483L415-Y466 VanDerWaalsContact CD1-CB 3.45Å; L415-Y466 HydrophobicContact CD1-CD1 4.13Å; L415-Y466 HydrophobicContact CD1-CD2 4.21Å; L415-Y466 HydrophobicContact CD1-CG 3.67Å; M430-Y466 CarbonylContact O-C 3.59Å; M430-Y466 WeakPolarHBondContact O-CA 3.25Å; K431-Y466 HydrophobicContact CB-CD1 4.15Å; K431-Y466 HydrophobicContact CB-CE1 3.86Å; K431-Y466 HydrophobicContact CD-CE1 4.02Å; K431-Y466 WeakPolarHBondContact CD-OH 3.23Å; K431-Y466 WeakPolarHBondContact CE-OH 3.32Å; K431-Y466 HydrophobicContact CG-CD1 4.36Å; K431-Y466 HydrophobicContact CG-CE1 3.83Å; K431-Y466 HydrophobicContact CG-CE2 4.27Å; I436-Y466 HydrophobicContact CD1-CD1 4.12Å; I436-Y466 HydrophobicContact CD1-CE1 4.06Å; F442-Y466 HydrophobicContact CE1-CE1 4.01Å; L453-Y466 HydrophobicContact CD2-CD1 3.61Å; L453-Y466 HydrophobicContact CD2-CE1 4.01Å; I455-Y466 HydrophobicContact CD1-CD1 4.3Å; I455-Y466 HydrophobicContact CD1-CE1 3.7Å; I455-Y466 HydrophobicContact CD1-CE2 4.06Å; I455-Y466 HydrophobicContact CG1-CE1 4.4Å; D462-Y466 VanDerWaalsContact O-CE2 3.28Å; D462-Y466 WeakPolarHBondContact O-CE2 3.08Å; D462-Y466 PolarHBondContact O-OH 3.13Å; Y466-S480 CarbonylContact O-C 3.57Å; Y466-S480 WeakPolarHBondContact O-CA 3.4Å; Y466-C481 PolarHBondContact N-O 2.67Å; Y466-C481 PolarHBondContact O-N 2.96Å; Y466-L483 HydrophobicContact CD2-CB 3.77Å; Y466-L483 HydrophobicContact CD2-CD2 4.36Å; Y466-L483 HydrophobicContact CE2-CB 3.73Å; Y466-L483 HydrophobicContact CE2-CD2 3.68Å; Y466-L483 HydrophobicContact CE2-CG 4.37Å
467S97.6Very high93.7Very high0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-124.5138.7-178.7-53.20000110.4W429 M430 I479 S480W429-S467 WeakPolarHBondContact CA-O 3.4Å; M430-S467 PolarHBondContact N-O 2.89Å; M430-S467 PolarHBondContact O-N 2.74Å; S467-I479 CarbonylContact C-O 3.5Å; S467-I479 WeakPolarHBondContact CA-O 3.25Å; S467-S480 WeakPolarHBondContact CB-OG 3.46Å; S467-S480 PolarHBondContact OG-OG 2.58Å
468C96.8Very high94.1Very high0 Ų050.5 Ų50.50%027%0.27CS..EExtended strand (participates in β ladder)trans-108.3116.6170.8-173.50000107.9F398 L402 C417 W429 I478 I479F398-C468 HydrophobicContact CE1-CB 4.21Å; F398-C468 WeakPolarHBondContact CE2-O 3.38Å; F398-C468 HydrophobicContact CZ-CB 4.01Å; F398-C468 VanDerWaalsContact CZ-O 3.29Å; F398-C468 WeakPolarHBondContact CZ-O 3.37Å; L402-C468 HydrophobicContact CD1-CB 4.21Å; C417-C468 VanDerWaalsContact SG-SG 3.66Å; W429-C468 HydrophobicContact CD2-CB 4.16Å; W429-C468 HydrophobicContact CE3-CB 3.89Å; W429-C468 HydrophobicContact CH2-CB 3.86Å; W429-C468 HydrophobicContact CZ2-CB 4.07Å; W429-C468 HydrophobicContact CZ3-CB 3.75Å; C468-I478 WeakPolarHBondContact O-CA 3.31Å; C468-I479 HydrophobicContact CB-CG1 4.1Å; C468-I479 PolarHBondContact N-O 3.17Å; C468-I479 PolarHBondContact O-N 2.78Å; C468-I479 VanDerWaalsContact O-N 3.11Å
469R97Very high94.3Very high63 Ų6351.8 Ų51.824%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-103.2130.1175.4176.4174.9-178.7-152.513.6109.5I427 E428 M430 E476 A477 I478I427-R469 CarbonylContact C-O 3.6Å; I427-R469 WeakPolarHBondContact CA-O 3.2Å; E428-R469 HydrophobicContact CB-CB 4.4Å; E428-R469 PolarHBondContact N-O 3.22Å; E428-R469 PolarHBondContact O-N 2.9Å; E428-R469 IonicContact OE2-NH1 3.08Å; E428-R469 PolarHBondContact OE2-NH1 3.1Å; E428-R469 VanDerWaalsContact OE2-NH1 3.08Å; M430-R469 HydrophobicContact CE-CB 3.62Å; R469-E476 IonicContact CZ-OE2 3.28Å; R469-E476 VanDerWaalsContact CZ-OE2 3.28Å; R469-E476 IonicContact NE-OE2 3.01Å; R469-E476 PolarHBondContact NE-OE2 2.85Å; R469-E476 IonicContact NH2-OE2 2.69Å; R469-E476 PolarHBondContact NH2-OE2 3.34Å; R469-A477 WeakPolarHBondContact CA-O 3.39Å; R469-I478 HydrophobicContact CB-CD1 4.42Å; R469-I478 HydrophobicContact CB-CG1 3.94Å; R469-I478 HydrophobicContact CG-CD1 4.17Å; R469-I478 HydrophobicContact CG-CG1 3.83Å
470A96.5Very high94.7Very high0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-118.4127.7173.600000108.9P396 F398 V419 P425 K426 I427 E476 A477P396-A470 HydrophobicContact CB-CB 3.67Å; P396-A470 HydrophobicContact CG-CB 4.39Å; P396-A470 WeakPolarHBondContact CG-O 3.26Å; F398-A470 HydrophobicContact CE2-CB 4.1Å; F398-A470 HydrophobicContact CZ-CB 3.84Å; V419-A470 HydrophobicContact CG2-CB 3.69Å; P425-A470 HydrophobicContact CB-CB 3.94Å; K426-A470 WeakPolarHBondContact O-CA 3.31Å; I427-A470 HydrophobicContact CD1-CB 3.65Å; A470-E476 CarbonylContact O-C 3.54Å; A470-E476 WeakPolarHBondContact O-CA 3.49Å; A470-A477 PolarHBondContact N-O 3.44Å; A470-A477 PolarHBondContact O-N 2.97Å
471K95.8Very high95.1Very high113 Ų11349.7 Ų49.749%0.49127%0.265SS..EExtended strand (participates in β ladder)trans-132.6135.5-178.2-175.5176.4179.8178.70111.4P425 K426 G475 E476P425-K471 CarbonylContact C-O 3.53Å; P425-K471 WeakPolarHBondContact CA-O 3.37Å; K426-K471 PolarHBondContact N-O 2.85Å; K426-K471 PolarHBondContact O-N 2.83Å; K471-G475 WeakPolarHBondContact CA-O 3.14Å; K471-E476 HydrophobicContact CB-CB 4.31Å; K471-E476 HydrophobicContact CG-CB 4.31Å
472N93.8Very high95.5Very high13 Ų1345 Ų457%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-134.4-169.7165.870.18.4000109.8E394 P396 S422 P423 H474 G475E394-N472 PolarHBondContact O-ND2 2.88Å; P396-N472 VanDerWaalsContact CD-OD1 3.31Å; P396-N472 WeakPolarHBondContact CD-OD1 3.11Å; P396-N472 HydrophobicContact CG-CB 4.22Å; S422-N472 PolarHBondContact N-ND2 3.15Å; S422-N472 PolarHBondContact O-ND2 2.9Å; P423-N472 VanDerWaalsContact O-CB 3.31Å; P423-N472 WeakPolarHBondContact O-CB 3.38Å; P423-N472 PolarHBondContact O-ND2 2.97Å; N472-H474 PolarHBondContact O-N 3.31Å; N472-H474 WeakPolarHBondContact OD1-CA 3.14Å; N472-H474 PolarHBondContact OD1-N 3.07Å; N472-G475 PolarHBondContact N-O 2.93Å; N472-G475 PolarHBondContact O-N 2.93Å; N472-G475 PolarHBondContact OD1-N 3.25Å; N472-G475 VanDerWaalsContact OD1-N 3.09Å; N472-G475 PolarHBondContact OD1-O 3.15Å
473D92.5Very high95.7Very high143 Ų14344.7 Ų44.777%0.76524%0.243SC*.THydrogen-bonded Turntrans-70.8-10.5-177.3-57.9-29.1000113.6
474H90.2Very high95.7Very high85 Ų8546.8 Ų46.839%0.39425%0.249SC..THydrogen-bonded Turntrans-109.8-7.4-177.7-59-67.1000114N393 A395 P423 N472N393-H474 VanDerWaalsContact CB-CD2 3.5Å; N393-H474 WeakPolarHBondContact CB-CD2 3.39Å; N393-H474 VanDerWaalsContact CB-CE1 3.46Å; N393-H474 WeakPolarHBondContact CB-CE1 3.35Å; N393-H474 WeakPolarHBondContact CB-NE2 3.38Å; N393-H474 PolarHBondContact OD1-NE2 3.38Å; A395-H474 HydrophobicContact CB-CB 4.45Å; P423-H474 WeakPolarHBondContact CD-CD2 3.12Å; N472-H474 PolarHBondContact O-N 3.31Å; N472-H474 WeakPolarHBondContact OD1-CA 3.14Å; N472-H474 PolarHBondContact OD1-N 3.07Å
475G93Very high95.6Very high27 Ų2747.3 Ų47.328%0.27825%0.248SC..EExtended strand (participates in β ladder)trans160.7-167.1172.600000114.2P396 K471 N472P396-G475 VanDerWaalsContact CD-C 3.45Å; P396-G475 WeakPolarHBondContact CD-O 3.26Å; K471-G475 WeakPolarHBondContact CA-O 3.14Å; N472-G475 PolarHBondContact N-O 2.93Å; N472-G475 PolarHBondContact O-N 2.93Å; N472-G475 PolarHBondContact OD1-N 3.25Å; N472-G475 VanDerWaalsContact OD1-N 3.09Å; N472-G475 PolarHBondContact OD1-O 3.15Å
476E95.9Very high95.2Very high105 Ų10550.7 Ų50.749%0.49126%0.258SS..EExtended strand (participates in β ladder)trans-139.2149176.863.4-179.4-175.200111.3R469 A470 K471R469-E476 IonicContact CZ-OE2 3.28Å; R469-E476 VanDerWaalsContact CZ-OE2 3.28Å; R469-E476 IonicContact NE-OE2 3.01Å; R469-E476 PolarHBondContact NE-OE2 2.85Å; R469-E476 IonicContact NH2-OE2 2.69Å; R469-E476 PolarHBondContact NH2-OE2 3.34Å; A470-E476 CarbonylContact O-C 3.54Å; A470-E476 WeakPolarHBondContact O-CA 3.49Å; K471-E476 HydrophobicContact CB-CB 4.31Å; K471-E476 HydrophobicContact CG-CB 4.31Å
477A96.4Very high94.5Very high22 Ų2257.1 Ų57.118%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-131.6148.7167.400000109.8P396 F398 R469 A470P396-A477 HydrophobicContact CB-CB 4.45Å; P396-A477 WeakPolarHBondContact O-CB 3.39Å; F398-A477 HydrophobicContact CD2-CB 3.92Å; F398-A477 HydrophobicContact CE2-CB 4Å; R469-A477 WeakPolarHBondContact CA-O 3.39Å; A470-A477 PolarHBondContact N-O 3.44Å; A470-A477 PolarHBondContact O-N 2.97Å
478I97.3Very high93.4Very high84 Ų8461 Ų6143%0.43131%0.314SS..EExtended strand (participates in β ladder)trans-134.6131.4178.5-54.5178000108.1M430 C468 R469M430-I478 HydrophobicContact CE-CD1 4.49Å; M430-I478 HydrophobicContact CE-CG2 4.25Å; C468-I478 WeakPolarHBondContact O-CA 3.31Å; R469-I478 HydrophobicContact CB-CD1 4.42Å; R469-I478 HydrophobicContact CB-CG1 3.94Å; R469-I478 HydrophobicContact CG-CD1 4.17Å; R469-I478 HydrophobicContact CG-CG1 3.83Å
479I97.1Very high92Very high27 Ų2765.6 Ų65.614%0.13835%0.351CS..EExtended strand (participates in β ladder)trans-122150.716855.3174.2000109.1F398 L402 C417 S467 C468F398-I479 HydrophobicContact CB-CD1 3.95Å; F398-I479 HydrophobicContact CB-CG2 3.9Å; F398-I479 HydrophobicContact CD1-CD1 3.26Å; F398-I479 HydrophobicContact CD1-CG1 3.88Å; F398-I479 HydrophobicContact CD2-CB 4.23Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CD2-CG1 3.81Å; F398-I479 HydrophobicContact CD2-CG2 3.57Å; F398-I479 HydrophobicContact CE1-CD1 3.63Å; F398-I479 HydrophobicContact CE1-CG1 3.89Å; F398-I479 HydrophobicContact CE2-CB 4.48Å; F398-I479 HydrophobicContact CE2-CD1 4.29Å; F398-I479 HydrophobicContact CE2-CG1 3.81Å; F398-I479 HydrophobicContact CE2-CG2 4.25Å; F398-I479 HydrophobicContact CG-CB 4.44Å; F398-I479 HydrophobicContact CG-CD1 3.46Å; F398-I479 VanDerWaalsContact CG-CD1 3.46Å; F398-I479 HydrophobicContact CG-CG1 3.83Å; F398-I479 HydrophobicContact CG-CG2 3.81Å; F398-I479 HydrophobicContact CZ-CD1 4.13Å; F398-I479 HydrophobicContact CZ-CG1 3.86Å; L402-I479 HydrophobicContact CD1-CD1 4.35Å; L402-I479 HydrophobicContact CD1-CG1 4.09Å; L402-I479 HydrophobicContact CG-CD1 3.74Å; L402-I479 HydrophobicContact CG-CG1 4.01Å; C417-I479 HydrophobicContact CB-CD1 3.47Å; C417-I479 VanDerWaalsContact CB-CD1 3.47Å; S467-I479 CarbonylContact C-O 3.5Å; S467-I479 WeakPolarHBondContact CA-O 3.25Å; C468-I479 HydrophobicContact CB-CG1 4.1Å; C468-I479 PolarHBondContact N-O 3.17Å; C468-I479 PolarHBondContact O-N 2.78Å; C468-I479 VanDerWaalsContact O-N 3.11Å
480S97.4Very high90.4Very high60 Ų6070.1 Ų70.142%0.4238%0.378SS..EExtended strand (participates in β ladder)trans-134.4152.8-178.4-53.80000111.6Y466 S467Y466-S480 CarbonylContact O-C 3.57Å; Y466-S480 WeakPolarHBondContact O-CA 3.4Å; S467-S480 WeakPolarHBondContact CB-OG 3.46Å; S467-S480 PolarHBondContact OG-OG 2.58Å
481C96.4Very high88.4Confident4 Ų475.4 Ų75.43%0.02741%0.413CS..EExtended strand (participates in β ladder)trans-141.3164.2164.170.60000111.1L402 S403 D404 V465 Y466L402-C481 HydrophobicContact CB-CB 3.55Å; S403-C481 WeakPolarHBondContact O-CB 3.23Å; S403-C481 PolarHBondContact O-SG 3.26Å; D404-C481 VanDerWaalsContact OD1-CA 3.32Å; D404-C481 WeakPolarHBondContact OD1-CA 3.22Å; D404-C481 WeakPolarHBondContact OD1-CB 3.35Å; V465-C481 CarbonylContact C-O 3.36Å; V465-C481 WeakPolarHBondContact CA-O 3.45Å; Y466-C481 PolarHBondContact N-O 2.67Å; Y466-C481 PolarHBondContact O-N 2.96Å
482K96.6Very high86.1Confident94 Ų9477.6 Ų77.641%0.40943%0.43SS..EExtended strand (participates in β ladder)trans-95.5131.1173.7-166.1-175.5179.6-136.80110.7D404 R405 D484D404-K482 WeakPolarHBondContact CA-O 3.13Å; D404-K482 PolarHBondContact OD1-N 3.27Å; R405-K482 PolarHBondContact N-O 3.09Å; K482-D484 WeakPolarHBondContact CE-OD1 3.3Å; K482-D484 VanDerWaalsContact NZ-CG 3.33Å; K482-D484 IonicContact NZ-OD1 3.97Å; K482-D484 PolarHBondContact NZ-OD1 3.27Å; K482-D484 IonicContact NZ-OD2 3.03Å; K482-D484 PolarHBondContact NZ-OD2 3.47Å; K482-D484 VanDerWaalsContact NZ-OD2 3.08Å
483L96.1Very high84.3Confident0 Ų081.4 Ų81.40%046%0.463CS..EExtended strand (participates in β ladder)trans-106118.2167.9-177.672000109.7R405 T407 T413 I455 G463 G464 Y466 V485R405-L483 HydrophobicContact CB-CD1 4.36Å; R405-L483 HydrophobicContact CG-CD1 4.45Å; R405-L483 CarbonylContact O-C 3.49Å; R405-L483 WeakPolarHBondContact O-CA 3.5Å; T407-L483 HydrophobicContact CG2-CD1 3.99Å; T407-L483 HydrophobicContact CG2-CG 4.46Å; T413-L483 HydrophobicContact CG2-CD1 4.13Å; T413-L483 HydrophobicContact CG2-CD2 4.08Å; I455-L483 HydrophobicContact CD1-CD2 3.44Å; I455-L483 VanDerWaalsContact CD1-CD2 3.44Å; G463-L483 CarbonylContact C-O 3.55Å; G463-L483 WeakPolarHBondContact CA-O 3.49Å; G464-L483 PolarHBondContact N-O 2.79Å; G464-L483 PolarHBondContact O-N 2.7Å; Y466-L483 HydrophobicContact CD2-CB 3.77Å; Y466-L483 HydrophobicContact CD2-CD2 4.36Å; Y466-L483 HydrophobicContact CE2-CB 3.73Å; Y466-L483 HydrophobicContact CE2-CD2 3.68Å; Y466-L483 HydrophobicContact CE2-CG 4.37Å; L483-V485 HydrophobicContact CD2-CG2 4.22Å; L483-V485 HydrophobicContact CG-CG2 4.28Å
484D93.8Very high82.6Confident67 Ų6781.4 Ų81.436%0.35846%0.463SS..EExtended strand (participates in β ladder)trans-99.8118.7172.3-73.3-43.4000110.1R405 A406 T407 K482R405-D484 PolarHBondContact O-N 3.24Å; A406-D484 CarbonylContact C-O 3.58Å; A406-D484 WeakPolarHBondContact CA-O 3.19Å; A406-D484 HydrophobicContact CB-CB 4.36Å; T407-D484 PolarHBondContact N-O 3.35Å; K482-D484 WeakPolarHBondContact CE-OD1 3.3Å; K482-D484 VanDerWaalsContact NZ-CG 3.33Å; K482-D484 IonicContact NZ-OD1 3.97Å; K482-D484 PolarHBondContact NZ-OD1 3.27Å; K482-D484 IonicContact NZ-OD2 3.03Å; K482-D484 PolarHBondContact NZ-OD2 3.47Å; K482-D484 VanDerWaalsContact NZ-OD2 3.08Å
485V92.4Very high80.5Confident26 Ų2687.5 Ų87.516%0.15849%0.489CS..EExtended strand (participates in β ladder)trans-99.5111177.4-174.20000109.1T407 V409 P458 D462 L483T407-V485 HydrophobicContact CG2-CB 4.45Å; T407-V485 HydrophobicContact CG2-CG1 4.36Å; T407-V485 HydrophobicContact CG2-CG2 3.93Å; T407-V485 CarbonylContact O-C 3.52Å; T407-V485 WeakPolarHBondContact O-CA 3.27Å; V409-V485 HydrophobicContact CB-CG1 4.48Å; V409-V485 HydrophobicContact CG2-CG1 3.66Å; P458-V485 HydrophobicContact CB-CG1 4.46Å; P458-V485 HydrophobicContact CB-CG2 4.21Å; D462-V485 HydrophobicContact CB-CG2 4.43Å; L483-V485 HydrophobicContact CD2-CG2 4.22Å; L483-V485 HydrophobicContact CG-CG2 4.28Å
486K89.8Confident78.1Confident131 Ų13199.7 Ų99.757%0.5753%0.534SS*.EExtended strand (participates in β ladder)trans-94.3143.8180-62.8-174178.3-176.60110.7A406 T407 T408 V409A406-K486 HydrophobicContact CB-CD 4.48Å; T407-K486 PolarHBondContact O-N 2.91Å; T408-K486 CarbonylContact C-O 3.49Å; T408-K486 VanDerWaalsContact CA-O 3.27Å; T408-K486 WeakPolarHBondContact CA-O 2.95Å; V409-K486 PolarHBondContact N-O 2.8Å
487Q83Confident77.2Confident136 Ų13699.4 Ų99.464%0.63654%0.536SS*.PPolyproline II helixtrans-72.4146.4166.4-67.7-174.515.500109.6V409 N460 A489V409-Q487 HydrophobicContact CG2-CG 4.29Å; N460-Q487 PolarHBondContact ND2-NE2 3.41Å; Q487-A489 PolarHBondContact O-N 3.37Å
488P72.9Confident76.2Confident82 Ų82103.5 Ų103.553%0.53255%0.554SS.*PPolyproline II helixtrans-59.5131.5170.923.7-30000109.1T408 I490T408-P488 HydrophobicContact CG2-CB 3.96Å; T408-P488 HydrophobicContact CG2-CG 4.34Å; P488-I490 PolarHBondContact O-N 2.87Å
489A67.2Low75Confident95 Ų95104.6 Ų104.679%0.78556%0.561SS**PPolyproline II helixtrans-62.8122.9173.900000108.5Q487 P491Q487-A489 PolarHBondContact O-N 3.37Å; A489-P491 WeakPolarHBondContact O-CD 3.34Å
490I63.7Low73.7Confident158 Ų158109.1 Ų109.181%0.8159%0.586SS**PPolyproline II helixtrans-71.8119165.5-56.3171.6000105P488 D492P488-I490 PolarHBondContact O-N 2.87Å; I490-D492 PolarHBondContact O-N 3.01Å
491P54.4Low72.2Confident112 Ų112112.2 Ų112.273%0.72760%0.597SS**PPolyproline II helixtrans-61.3124171.9-16.629.9000108.2A489 A493A489-P491 WeakPolarHBondContact O-CD 3.34Å; P491-A493 PolarHBondContact O-N 3.16Å
492D48.9Very low70.6Confident158 Ų158119.4 Ų119.485%0.84564%0.635SS**  trans-55.7107.8169.4-96.7-43.1000108.1I490 D494I490-D492 PolarHBondContact O-N 3.01Å; D492-D494 PolarHBondContact O-N 3.37Å
493A56.4Low68.7Low93 Ų93121.2 Ų121.277%0.76965%0.651SS**SBendtrans-79.159.1171.300000109.1P491P491-A493 PolarHBondContact O-N 3.16Å
494D54.9Low66.6Low143 Ų143130.5 Ų130.577%0.76570%0.701SS**  trans-164.989.8165.3-94.1-37.4000110.5D492D492-D494 PolarHBondContact O-N 3.37Å
495K47.7Very low64.4Low214 Ų214135.8 Ų135.893%0.9373%0.729SS**  trans-160.579.3147.1-104.3170.3-168.3-176.50106.8
496K41.2Very low61.8Low282 Ų282145.8 Ų145.8100%1.22678%0.781SS**  trans-820162.5-128.3-175.5-176-175.40109.2

Retrieved 496 of 496 residues in 343.5 ms (Link to these results)