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Cellular tumor antigen p53

Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence1,2,3. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type. Negatively regulates cell division by controlling expression of a set of genes required for this process. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression. Its pro-apoptotic activity is activated via its interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP2 (By similarity). However, this activity is inhibited when the interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP2 is displaced by PPP1R13L/iASPP (By similarity). In cooperation with mitochondrial PPIF is involved in activating oxidative stress-induced necrosis; the function is largely independent of transcription. Prevents CDK7 kinase activity when associated to CAK complex in response to DNA damage, thus stopping cell cycle progression (By similarity). Induces the transcription of long intergenic non-coding RNA p21 (lincRNA-p21) and lincRNA-Mkln1. LincRNA-p21 participates in TP53-dependent transcriptional repression leading to apoptosis, but seems to have to effect on cell-cycle regulation. Regulates the circadian clock by repressing CLOCK-BMAL1-mediated transcriptional activation of PER24.

AlphaFold DB , UniProt , Accession P02340, Species MOUSE (Mus musculus, Mouse), Gene Tp53, Length 390 aa.

Structure Viewer
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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
1M39.5Very low38.6Very low237 Ų237161 Ų161100%1.16787%0.873SS**  0119.30-86.7169.6156.400107.1
2T42.7Very low38.3Very low146 Ų146156.3 Ų156.390%0.89686%0.861SS**  trans53.6101170.434.70000118.6
3A36Very low38.6Very low93 Ų93154.9 Ų154.977%0.76985%0.851SS**  trans-72.9155.216100000111.7
4M45Very low38.8Very low197 Ų197156.9 Ų156.997%0.9785%0.851SS**  trans-160.7114.6141.4-106.1168.3164.300109.6
5E38.9Very low39.5Very low182 Ų182155.5 Ų155.585%0.8584%0.841SS**  trans-70.4140.5169.5-107.8163.7104.700110.4
6E41.2Very low40.1Very low200 Ų200152.4 Ų152.494%0.93583%0.832SS**  trans-152.2130.7144.9-138.6170.8-17300111.2
7S36.9Very low40.8Very low106 Ų106153.6 Ų153.674%0.74184%0.836SS**  trans-90.3130.4-163.2-49.10000112.1
8Q36.8Very low42.1Very low200 Ų200148.4 Ų148.494%0.93581%0.813SS**  trans-105.8110.7161.4-85.6-179.5-11.900109.1
9S38.7Very low42.9Very low108 Ų108150.5 Ų150.576%0.75582%0.817SS**  trans-90.8115.4170.152.60000110.3I11S9-I11 PolarHBondContact O-N 3.2Å
10D32.9Very low43.5Very low160 Ų160151.6 Ų151.686%0.85682%0.816SS**  trans-52.6125.7162.7-85-47.4000111.5
11I36.2Very low44.6Very low142 Ų142147.3 Ų147.373%0.72880%0.795SS**  trans-11989.7155.8-74.8171000106.8S9 L13S9-I11 PolarHBondContact O-N 3.2Å; I11-L13 HydrophobicContact CG2-CD1 3.85Å; I11-L13 HydrophobicContact CG2-CG 3.8Å
12S34.6Very low45.8Very low104 Ų104142 Ų14273%0.72777%0.766SS**  trans-72.7114.5161.1-175.80000108
13L42.1Very low47.2Very low139 Ų139138.5 Ų138.573%0.72875%0.747SS**  trans-117.270.5168-79.1169.9000108.9I11 L15I11-L13 HydrophobicContact CG2-CD1 3.85Å; I11-L13 HydrophobicContact CG2-CG 3.8Å; L13-L15 HydrophobicContact CD2-CD1 4.27Å
14E41.6Very low49Very low183 Ų183136 Ų13686%0.85573%0.731SS**  trans-78.7104.6152-79.4-157.9152.500108.4
15L49.2Very low50.5Low135 Ų135131.3 Ų131.371%0.70771%0.71SS**  trans-127.9128.4162-86.9158000108.3L13 L17L13-L15 HydrophobicContact CD2-CD1 4.27Å; L15-L17 PolarHBondContact O-N 3.32Å
16P49Very low52.1Low107 Ų107130.7 Ų130.770%0.69570%0.7SS**  trans-69.5127.7-170.628.1-32.5000110.3S18P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 2.91Å
17L52.1Low53.8Low173 Ų173129.4 Ų129.491%0.90669%0.691SS**  trans-61.790.1170.4-76.4157.7000109.5L15L15-L17 PolarHBondContact O-N 3.32Å
18S64.6Low55.7Low60 Ų60130.9 Ų130.942%0.4269%0.69SS.*  trans-100.7155.1166.589.20000109.6P16 E20 T21P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 2.91Å; S18-E20 PolarHBondContact O-N 3.4Å; S18-E20 PolarHBondContact OG-N 3.41Å; S18-T21 PolarHBondContact N-OG1 3.21Å; S18-T21 WeakPolarHBondContact O-CB 3.4Å; S18-T21 PolarHBondContact O-N 3.08Å; S18-T21 PolarHBondContact O-OG1 2.68Å; S18-T21 PolarHBondContact OG-OG1 3.14Å
19Q56.9Low57Low188 Ų188126.4 Ų126.488%0.87967%0.672SS**THydrogen-bonded Turntrans-57.2-21.4178.7-168.8174.810.800112.7
20E55.7Low58.3Low171 Ų171126.8 Ų126.880%0.79967%0.671SS**THydrogen-bonded Turntrans-77.4-29.7177.9-57.4-170.5165.200112.6S18 F22S18-E20 PolarHBondContact O-N 3.4Å; S18-E20 PolarHBondContact OG-N 3.41Å; E20-F22 PolarHBondContact O-N 2.83Å
21T67Low59.4Low63 Ų63125 Ų12539%0.38767%0.668SS.*Hα-helixtrans-68.2-23.4178.9-30.50000112.2S18 S23 G24 L25S18-T21 PolarHBondContact N-OG1 3.21Å; S18-T21 WeakPolarHBondContact O-CB 3.4Å; S18-T21 PolarHBondContact O-N 3.08Å; S18-T21 PolarHBondContact O-OG1 2.68Å; S18-T21 PolarHBondContact OG-OG1 3.14Å; T21-S23 PolarHBondContact O-N 2.86Å; T21-G24 PolarHBondContact O-N 3.09Å; T21-L25 PolarHBondContact O-N 3.32Å
22F63.4Low59.8Low124 Ų124126.2 Ų126.254%0.54467%0.671SS.*Hα-helixtrans-68.7-34.7-177.8-154.2-95.5000113E20 G24 L25 W26E20-F22 PolarHBondContact O-N 2.83Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 3.28Å; F22-L25 PolarHBondContact O-N 2.86Å; F22-W26 HydrophobicContact CD1-CE3 4.09Å; F22-W26 HydrophobicContact CE1-CD2 4.25Å; F22-W26 AromaticContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CH2 4.49Å; F22-W26 AromaticContact CE1-CZ3 3.46Å; F22-W26 HydrophobicContact CE1-CZ3 3.46Å; F22-W26 VanDerWaalsContact CE1-CZ3 3.46Å; F22-W26 AromaticContact CZ-CE3 3.78Å; F22-W26 HydrophobicContact CZ-CE3 3.78Å; F22-W26 AromaticContact CZ-CZ3 3.58Å; F22-W26 HydrophobicContact CZ-CZ3 3.58Å; F22-W26 PolarHBondContact O-N 3.28Å
23S72.5Confident60Low73 Ų73128.9 Ų128.951%0.5168%0.677SS.*Hα-helixtrans-66.4-33.6178-169.20000112.1T21 K27T21-S23 PolarHBondContact O-N 2.86Å; S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 2.8Å
24G74Confident59.8Low42 Ų42129.5 Ų129.543%0.43368%0.68SS.*Hα-helixtrans-67-45.5173.700000112.3T21 F22 W26 K27T21-G24 PolarHBondContact O-N 3.09Å; F22-G24 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 3.28Å; G24-W26 VanDerWaalsContact C-N 3.34Å; G24-W26 PolarHBondContact O-N 2.97Å; G24-K27 PolarHBondContact O-N 2.75Å
25L75.3Confident59.6Low98 Ų98128.1 Ų128.151%0.51368%0.677SS.*Hα-helixtrans-63.7-37.4177.1-79.8167.3000112.7T21 F22 K27 L28T21-L25 PolarHBondContact O-N 3.32Å; F22-L25 PolarHBondContact O-N 2.86Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.68Å; L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 PolarHBondContact O-N 2.81Å; L25-L28 VanDerWaalsContact O-N 3.16Å
26W72.5Confident59Low169 Ų169127 Ų12764%0.6468%0.678SS**Hα-helixtrans-67.3-29.3179.9-146.4-96.9000113.3F22 G24 L28 L29F22-W26 HydrophobicContact CD1-CE3 4.09Å; F22-W26 HydrophobicContact CE1-CD2 4.25Å; F22-W26 AromaticContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CE3 3.3Å; F22-W26 HydrophobicContact CE1-CH2 4.49Å; F22-W26 AromaticContact CE1-CZ3 3.46Å; F22-W26 HydrophobicContact CE1-CZ3 3.46Å; F22-W26 VanDerWaalsContact CE1-CZ3 3.46Å; F22-W26 AromaticContact CZ-CE3 3.78Å; F22-W26 HydrophobicContact CZ-CE3 3.78Å; F22-W26 AromaticContact CZ-CZ3 3.58Å; F22-W26 HydrophobicContact CZ-CZ3 3.58Å; F22-W26 PolarHBondContact O-N 3.28Å; G24-W26 VanDerWaalsContact C-N 3.34Å; G24-W26 PolarHBondContact O-N 2.97Å; W26-L28 VanDerWaalsContact C-N 3.3Å; W26-L29 HydrophobicContact CD2-CD1 4.38Å; W26-L29 HydrophobicContact CE3-CD1 4.4Å
27K77.1Confident58.3Low173 Ų173126.1 Ų126.175%0.75268%0.675SS**THydrogen-bonded Turntrans-77.8-13.4175.5-70-178.5-175.9-177.60113.8S23 G24 L25 L29S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 2.8Å; G24-K27 PolarHBondContact O-N 2.75Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.68Å; K27-L29 VanDerWaalsContact C-N 3.34Å
28L77.1Confident57.5Low137 Ų137123 Ų12372%0.71767%0.665SS**THydrogen-bonded Turntrans-87.1-6.5177.2-68.3169.9000112.7L25 W26L25-L28 HydrophobicContact CD2-CD1 4.46Å; L25-L28 PolarHBondContact O-N 2.81Å; L25-L28 VanDerWaalsContact O-N 3.16Å; W26-L28 VanDerWaalsContact C-N 3.3Å
29L63.6Low56.2Low106 Ų106128 Ų12856%0.55568%0.681SS**SBendtrans-77.8130173.9-66.7173.5000109.6W26 K27W26-L29 HydrophobicContact CD2-CD1 4.38Å; W26-L29 HydrophobicContact CE3-CD1 4.4Å; K27-L29 VanDerWaalsContact C-N 3.34Å
30P66.1Low55Low115 Ų115124.7 Ų124.775%0.74768%0.678SS**PPolyproline II helixtrans-58137.6176.9-5.810.1000110.8E32P30-E32 PolarHBondContact O-N 2.92Å
31P57Low54Low122 Ų122123.3 Ų123.379%0.79267%0.673SS**PPolyproline II helixtrans-71.7120.2173.926.4-26.5000109.6
32E45.1Very low52.6Low169 Ų169127.4 Ų127.479%0.7969%0.692SS**  trans27.699.9160.3-64.2-115.3135.500116.9P30P30-E32 PolarHBondContact O-N 2.92Å
33D38.6Very low51.3Low160 Ų160128.3 Ų128.386%0.85670%0.703SS**  trans-135.1139.7145.3-100.4-37.2000108.3
34I37.2Very low49.6Very low152 Ų152133 Ų13378%0.77972%0.721SS**  trans9065.5176.4-39.4157.7000114.8P36I34-P36 HydrophobicContact CG2-CG 4.2Å; I34-P36 WeakPolarHBondContact O-CD 3.47Å
35L37.8Very low47.9Very low153 Ų153138.4 Ų138.480%0.80174%0.739SS**PPolyproline II helixtrans-76.3118.7135.4-79.4167.9000108.3
36P36.5Very low45.9Very low111 Ų111141.6 Ų141.672%0.72176%0.756SS**PPolyproline II helixtrans-83.8123.5157.21.118.2000108.1I34I34-P36 HydrophobicContact CG2-CG 4.2Å; I34-P36 WeakPolarHBondContact O-CD 3.47Å
37S34.6Very low44.3Very low90 Ų90139.5 Ų139.563%0.62976%0.764SS**PPolyproline II helixtrans-55.7151.4171.158.30000111.5H39S37-H39 PolarHBondContact O-N 3.48Å
38P35Very low42.4Very low108 Ų108139.8 Ų139.870%0.70177%0.768SS**SBendtrans-83.467.8-179.935.5-33.1000109.9
39H36.6Very low40.5Very low165 Ų165140.7 Ų140.776%0.76477%0.774SS**  trans-153.183.5173.2-78.3-68.8000111.3S37S37-H39 PolarHBondContact O-N 3.48Å
40C32.5Very low39.2Very low118 Ų118142.8 Ų142.880%0.79779%0.79SS**  trans-162.787.3147.8-168.10000106.5
41M35.8Very low38Very low142 Ų142145.7 Ų145.770%0.779%0.794SS**  trans-98.2146.2159.83.9-101.575.500105.2
42D35.6Very low37Very low149 Ų149147.7 Ų147.780%0.79779%0.793SS**SBendtrans79.5104178.5-61.3-49.8000116.4
43D36.1Very low36.5Very low143 Ų143148.7 Ų148.777%0.76580%0.795SS**  trans138.594.9142.5-90.4-31000109.8
44L38.8Very low36.3Very low172 Ų172150.6 Ų150.690%0.90180%0.796SS**  trans-165.977.9140.8-82-160.2000109
45L36.9Very low36.3Very low154 Ų154152.3 Ų152.381%0.80680%0.801SS**  trans23115.6135.4-58.8173.2000118.8
46L34.1Very low36.1Very low166 Ų166148.6 Ų148.687%0.86980%0.799SS**  trans-62.8142.3156.9-77.1152.1000111.4
47P39.2Very low36.1Very low125 Ų125149.3 Ų149.381%0.81280%0.804SS**  trans-89.2114.3152.3-7.726.1000109.9
48Q36.2Very low36.3Very low178 Ų178150.4 Ų150.483%0.83281%0.811SS**  trans-68.6136154.4-76.8172.1-16.200108
49D36.7Very low36.5Very low157 Ų157154 Ų15484%0.8482%0.819SS**  trans-17696.3149.3-90.8-24.5000108.8
50V37.4Very low36.6Very low149 Ų149150 Ų15090%0.90381%0.814SS**  trans-165.388.2150-106.70000108.2
51E40Very low36.8Very low177 Ų177150.7 Ų150.783%0.82781%0.809SS**  trans-124.1132.6152.9-78.8-158.5155.800109.4
52E36.1Very low37Very low163 Ų163154.5 Ų154.576%0.76282%0.816SS**  trans60.4109.7152.2-64.8-175.3149.200119
53F34.7Very low37.3Very low191 Ų191153.1 Ų153.184%0.83881%0.812SS**  -168.6108.7102.3-121-104.2000110.7
54F34Very low37.2Very low199 Ų199152.1 Ų152.187%0.87382%0.817SS**  trans-80.3128.1154.5-94.2-100.7000107.4
55E37.4Very low37.1Very low189 Ų189147.8 Ų147.888%0.88381%0.813SS**  173.2149.2127.8-97-179.2166.100112
56G33.9Very low37.4Very low74 Ų74145.4 Ų145.476%0.76382%0.816SS**  trans-83.4-168.3-16100000117.7
57P37.1Very low37.8Very low126 Ų126143.6 Ų143.682%0.81881%0.814SS**  trans-110.4158.4-143.839.2-31.6000114.8
58S38.5Very low38Very low113 Ų113142.5 Ų142.579%0.7982%0.816SS**  trans-164.1125.9149.1-90.50000114.1
59E39.1Very low38.3Very low185 Ų185138.6 Ų138.686%0.86481%0.814SS**  trans38.9125.2139.4-56.7-155.9135.900121.6
60A37.8Very low38.6Very low80 Ų80140.5 Ų140.566%0.66182%0.818SS**  137.5121.8107.200000115.2
61L37.5Very low39Very low132 Ų132141 Ų14169%0.69182%0.815SS**  trans76.5110.3138.4-61.7162.1000118.7
62R39.7Very low39.2Very low223 Ų223137.3 Ų137.384%0.84281%0.807SS**  78141103.3-72.5-169.5-174.5166.81113.3
63V42.3Very low39.6Very low119 Ų119135.8 Ų135.872%0.72181%0.809SS**  cis-172.9144.88.1132.40000107.1
64S34.7Very low39.8Very low122 Ų122132.7 Ų132.785%0.85381%0.805SS**  trans37.2133150.1-58.60000124.1
65G36.7Very low40.4Very low81 Ų81131.4 Ų131.484%0.83580%0.802SS**  trans-174.3109.8151.200000112.2
66A43Very low40.5Very low104 Ų104128.5 Ų128.586%0.8680%0.797SS**  trans-77.2171.3-168.600000115.9
67P42.3Very low41.3Very low128 Ų128130.6 Ų130.683%0.83180%0.797SS**  trans-107.1174.8-148.840.7-33.7000115.5
68A42.7Very low42.2Very low102 Ų102127.2 Ų127.284%0.84379%0.785SS**  trans-146110.4163.500000112.7
69A43.7Very low42.7Very low96 Ų96128.2 Ų128.279%0.79379%0.789SS**  trans10.4124.9151.200000121.1
70Q42Very low43.3Very low197 Ų197125.9 Ų125.992%0.92179%0.788SS**  -155.9116.5126.2-64.5-164.1-24.300109.8
71D45.5Very low43.9Very low160 Ų160125.9 Ų125.986%0.85679%0.787SS**  trans-93.3173.4164.4-82.1-43.9000109.2
72P44.4Very low44.6Very low100 Ų100125.6 Ų125.665%0.64979%0.794SS**  cis-136.2161.2-47.437.5-21.5000111.7
73V43.9Very low44.9Very low131 Ų131119.2 Ų119.279%0.79479%0.788SS**  trans-133.9104.5155.5-178.50000108.1E75V73-E75 HydrophobicContact CG1-CG 4.3Å; V73-E75 PolarHBondContact O-N 2.89Å
74T39.7Very low45.1Very low126 Ų126119.3 Ų119.377%0.77379%0.791SS**  trans-82.4104171.9-57.70000108.4
75E46.2Very low45.9Very low172 Ų172118.2 Ų118.280%0.80479%0.789SS**  trans-98.5115.9161-74.6-172.4165.900109.3V73V73-E75 HydrophobicContact CG1-CG 4.3Å; V73-E75 PolarHBondContact O-N 2.89Å
76T40.7Very low46.4Very low127 Ų127120 Ų12078%0.77978%0.784SS**PPolyproline II helixtrans-66.9122.5175.8-400000110.2G78T76-G78 PolarHBondContact O-N 2.89Å
77P49.7Very low47.1Very low118 Ų118120.7 Ų120.777%0.76678%0.78SS**PPolyproline II helixtrans-76125.6172.4-8.124.6000109.8
78G56.4Low47.9Very low55 Ų55122.6 Ų122.657%0.56777%0.771SS**PPolyproline II helixtrans-61168.6174.700000113.8T76 V80T76-G78 PolarHBondContact O-N 2.89Å; G78-V80 PolarHBondContact O-N 2.82Å; G78-V80 VanDerWaalsContact O-N 3.13Å
79P49.8Very low48.8Very low134 Ų134120.7 Ų120.787%0.8775%0.75SS**PPolyproline II helixtrans-64.9116.5-168.326.7-32.4000110.9A81P79-A81 PolarHBondContact O-N 2.85Å
80V50.6Low49.7Very low137 Ų137121.9 Ų121.983%0.8374%0.743SS**PPolyproline II helixtrans-63.1117.4174-1790000108.5G78G78-V80 PolarHBondContact O-N 2.82Å; G78-V80 VanDerWaalsContact O-N 3.13Å
81A50.7Low50.9Low79 Ų79112.7 Ų112.765%0.65370%0.7SS**PPolyproline II helixtrans-54.8142.3171.500000110.3P79 A83P79-A81 PolarHBondContact O-N 2.85Å; A81-A83 PolarHBondContact O-N 2.65Å; A81-A83 VanDerWaalsContact O-N 3.13Å
82P51.5Low51.7Low127 Ų127110 Ų11083%0.82569%0.693SS**PPolyproline II helixtrans-61.4121.9-17724.9-31.5000109.5
83A47.3Very low53.5Low88 Ų88111.6 Ų111.673%0.72769%0.691SS**PPolyproline II helixtrans-53.9142.3176.400000110.4A81 A85A81-A83 PolarHBondContact O-N 2.65Å; A81-A83 VanDerWaalsContact O-N 3.13Å; A83-A85 PolarHBondContact O-N 2.83Å
84P46.5Very low55.7Low122 Ų122108.3 Ų108.379%0.79267%0.671SS**PPolyproline II helixtrans-56.9133.3177.722.6-31.3000109.7T86P84-T86 PolarHBondContact O-N 2.83Å; P84-T86 VanDerWaalsContact O-N 3.08Å
85A50.8Low58.2Low98 Ų98104.1 Ų104.181%0.8165%0.646SS**PPolyproline II helixtrans-51118.7-179.900000109.9A83A83-A85 PolarHBondContact O-N 2.83Å
86T46.7Very low60.4Low119 Ų11998.8 Ų98.873%0.7363%0.627SS**PPolyproline II helixtrans-56.7125.3-178.7-30.20000108.9P84 W88P84-T86 PolarHBondContact O-N 2.83Å; P84-T86 VanDerWaalsContact O-N 3.08Å; T86-W88 PolarHBondContact O-N 2.78Å
87P59Low62.9Low119 Ų11996.8 Ų96.877%0.77361%0.609SS**PPolyproline II helixtrans-60.3123.3175.3-16.327.8000108.4
88W58.9Low65Low167 Ų16798.7 Ų98.763%0.63361%0.605SS**PPolyproline II helixtrans-64.9142.2177.7-64.3100.2000110.2T86 L90T86-W88 PolarHBondContact O-N 2.78Å; W88-L90 PolarHBondContact O-N 2.93Å
89P60.3Low66.9Low63 Ų6399.7 Ų99.741%0.40960%0.6SS.*PPolyproline II helixtrans-59.9130.3-177.624.3-32.9000110.2F209P89-F209 HydrophobicContact CB-CD2 4.43Å; P89-F209 HydrophobicContact CB-CE2 4.39Å; P89-F209 HydrophobicContact CG-CD2 4.01Å; P89-F209 HydrophobicContact CG-CE2 4.17Å; P89-F209 HydrophobicContact CG-CG 4.45Å
90L63.7Low69.1Low121 Ų12198.1 Ų98.163%0.63458%0.578SS**PPolyproline II helixtrans-69.6131.8170.1-63.3176.7000108.4W88 S92 E168W88-L90 PolarHBondContact O-N 2.93Å; L90-S92 PolarHBondContact O-N 2.83Å; L90-E168 HydrophobicContact CD2-CG 3.73Å
91S65.8Low71.3Confident3 Ų396.9 Ų96.92%0.02156%0.563CS.*PPolyproline II helixtrans-78.5122.1173.3-164.10000108.7F93 T167 T208S91-F93 PolarHBondContact O-N 3.44Å; S91-F93 PolarHBondContact OG-O 3.11Å; S91-T167 WeakPolarHBondContact CA-O 3.36Å; S91-T167 VanDerWaalsContact CB-O 3.23Å; S91-T167 WeakPolarHBondContact CB-O 3.47Å; S91-T167 PolarHBondContact N-O 3.44Å; S91-T167 VanDerWaalsContact O-CB 3.31Å; S91-T167 WeakPolarHBondContact O-CB 3.41Å; S91-T208 WeakPolarHBondContact CB-O 3.44Å; S91-T208 WeakPolarHBondContact OG-CA 3.2Å; S91-T208 WeakPolarHBondContact OG-CB 3.37Å; S91-T208 PolarHBondContact OG-O 2.82Å
92S62.3Low73.4Confident103 Ų10394.1 Ų94.172%0.7254%0.542SS*.SBendtrans-68.5-18.7176.553.90000112.8L90L90-S92 PolarHBondContact O-N 2.83Å
93F82.7Confident75.5Confident135 Ų13595 Ų9559%0.59254%0.54SS*.  trans-107.7124.7-178.3-67.8-84.4000112.1S91 T208 R210S91-F93 PolarHBondContact O-N 3.44Å; S91-F93 PolarHBondContact OG-O 3.11Å; F93-T208 HydrophobicContact CB-CG2 4.02Å; F93-T208 HydrophobicContact CD2-CG2 4.43Å; F93-R210 PolarHBondContact O-NE 3.06Å; F93-R210 PolarHBondContact O-NH2 3.28Å
94V89.9Confident77.8Confident62 Ų6293.1 Ų93.138%0.37651%0.514SS..PPolyproline II helixtrans-103.7118.5172.6-178.70000108.2M166 T167V94-M166 HydrophobicContact CG1-CB 3.99Å; V94-M166 HydrophobicContact CG1-CE 3.93Å; V94-M166 HydrophobicContact CG2-CB 4.09Å; V94-T167 HydrophobicContact CG2-CG2 3.88Å
95P92.2Very high80.2Confident38 Ų3887.9 Ų87.925%0.24748%0.483CS..PPolyproline II helixtrans-63.9144.7177.928.9-36000110.2Q97 M157 I159 I251P95-Q97 PolarHBondContact O-N 2.95Å; P95-M157 HydrophobicContact CB-SD 4.36Å; P95-M157 HydrophobicContact CG-SD 3.9Å; P95-I159 HydrophobicContact CG-CG2 3.49Å; P95-I159 VanDerWaalsContact CG-CG2 3.49Å; P95-I251 HydrophobicContact CB-CD1 4.29Å; P95-I251 HydrophobicContact CG-CD1 4.03Å
96S93.1Very high82.4Confident60 Ų6083.2 Ų83.242%0.4244%0.444SS..PPolyproline II helixtrans-66.9131.1179.5-175.90000110.7K98 R264S96-K98 PolarHBondContact OG-N 3.14Å; S96-R264 WeakPolarHBondContact O-CD 3.33Å; S96-R264 PolarHBondContact O-NE 3.38Å; S96-R264 VanDerWaalsContact O-NE 3.15Å; S96-R264 PolarHBondContact OG-NH2 3.1Å
97Q92.3Very high84.8Confident84 Ų8480.7 Ų80.739%0.39342%0.424SS..  trans-95.65.6173.466.1-174.811.500113.2P95 T99 I159 L249 I251P95-Q97 PolarHBondContact O-N 2.95Å; Q97-T99 PolarHBondContact O-N 2.82Å; Q97-I159 HydrophobicContact CB-CD1 4.5Å; Q97-L249 HydrophobicContact CB-CD2 3.54Å; Q97-L249 HydrophobicContact CG-CD2 4.42Å; Q97-I251 HydrophobicContact CB-CD1 4.36Å
98K94.3Very high86.6Confident159 Ų15976 Ų7669%0.69139%0.392SS*.  trans-71.8120.1-176.3-175.7179-179.6-179.50109.8S96 Y100 R264S96-K98 PolarHBondContact OG-N 3.14Å; K98-Y100 PolarHBondContact O-N 2.57Å; K98-R264 PolarHBondContact O-NE 3.41Å; K98-R264 PolarHBondContact O-NH2 2.76Å
99T96.5Very high88.4Confident75 Ų7568.5 Ų68.546%0.4637%0.367SS..  trans-54.7129.5172-57.10000110.1Q97 R264 D265Q97-T99 PolarHBondContact O-N 2.82Å; T99-R264 WeakPolarHBondContact CA-O 3.41Å; T99-D265 WeakPolarHBondContact CG2-OD1 3.48Å; T99-D265 PolarHBondContact OG1-OD1 3.48Å
100Y97.1Very high90.1Very high101 Ų10167 Ų6740%0.39635%0.354SS..BIsolated β-bridgetrans-144.2101.9-178.6171.3-116.2000107.9K98 G102 L261 G263 R264K98-Y100 PolarHBondContact O-N 2.57Å; Y100-G102 PolarHBondContact O-N 3.17Å; Y100-L261 HydrophobicContact CD1-CD2 3.96Å; Y100-L261 HydrophobicContact CD1-CG 4.32Å; Y100-L261 HydrophobicContact CE1-CD2 4.42Å; Y100-G263 CarbonylContact O-C 3.52Å; Y100-G263 WeakPolarHBondContact O-CA 3.18Å; Y100-R264 CarbonylContact C-O 3.59Å; Y100-R264 PolarHBondContact N-O 3.09Å; Y100-R264 PolarHBondContact O-N 3.25Å
101Q96.7Very high91.5Very high112 Ų11265.3 Ų65.352%0.52335%0.346SS..  trans-68.6-23.4-178.2-64.9-178.1-24.100112.9G105 F106Q101-G105 PolarHBondContact O-N 3.43Å; Q101-F106 WeakPolarHBondContact CA-O 3.2Å; Q101-F106 WeakPolarHBondContact O-CB 3.39Å; Q101-F106 PolarHBondContact O-N 2.8Å
102G94.6Very high92.5Very high21 Ų2174.8 Ų74.822%0.21639%0.389CS..G310 helixtrans61.9-166.7-177.100000114Y100 Y104 L262Y100-G102 PolarHBondContact O-N 3.17Å; G102-Y104 PolarHBondContact O-N 2.76Å; G102-L262 WeakPolarHBondContact CA-O 3.44Å
103N94.9Very high93.7Very high144 Ų14471.7 Ų71.777%0.7737%0.368SS*.G310 helixtrans-72.6-14.8-174.7-63.3-16.1000113.1
104Y95.8Very high93.9Very high49 Ų4967.8 Ų67.819%0.19237%0.365CS..G310 helixtrans-103.73.9-175.6-56.1-79.3000113G102 F106 V144 S145 A146 P148 P149 L262G102-Y104 PolarHBondContact O-N 2.76Å; Y104-F106 VanDerWaalsContact C-N 3.3Å; Y104-F106 PolarHBondContact O-N 2.85Å; Y104-V144 CarbonylContact O-C 3.57Å; Y104-V144 WeakPolarHBondContact O-CA 3.32Å; Y104-S145 PolarHBondContact O-N 2.77Å; Y104-A146 HydrophobicContact CD1-CB 4.15Å; Y104-A146 WeakPolarHBondContact CD1-O 3.43Å; Y104-P148 HydrophobicContact CG-CG 4.46Å; Y104-P149 VanDerWaalsContact OH-CD 3.32Å; Y104-P149 WeakPolarHBondContact OH-CD 3.49Å; Y104-P149 VanDerWaalsContact OH-CG 3.31Å; Y104-P149 WeakPolarHBondContact OH-CG 3.28Å; Y104-L262 HydrophobicContact CD2-CB 4.26Å; Y104-L262 HydrophobicContact CE2-CB 4.3Å; Y104-L262 HydrophobicContact CE2-CD1 4.23Å; Y104-L262 HydrophobicContact CE2-CD2 4.23Å; Y104-L262 HydrophobicContact CE2-CG 4.49Å
105G96Very high93.9Very high13 Ų1366.7 Ų66.713%0.13436%0.359CS..THydrogen-bonded Turntrans66.430.8179.900000113.7Q101 H107Q101-G105 PolarHBondContact O-N 3.43Å; G105-H107 PolarHBondContact O-N 3.11Å; G105-H107 PolarHBondContact O-ND1 2.88Å
106F97.4Very high93.8Very high0 Ų067.5 Ų67.50%037%0.368CS..  trans-61.6120.8-175.6-179.8-104.9000111.8Q101 Y104 L108 L142 W143 V144 I252 L254 D265Q101-F106 WeakPolarHBondContact CA-O 3.2Å; Q101-F106 WeakPolarHBondContact O-CB 3.39Å; Q101-F106 PolarHBondContact O-N 2.8Å; Y104-F106 VanDerWaalsContact C-N 3.3Å; Y104-F106 PolarHBondContact O-N 2.85Å; F106-L108 HydrophobicContact CE1-CD2 4.43Å; F106-L108 HydrophobicContact CZ-CD2 3.95Å; F106-L142 HydrophobicContact CE2-CB 4.36Å; F106-L142 HydrophobicContact CE2-CD2 4Å; F106-L142 HydrophobicContact CZ-CD2 4.11Å; F106-W143 WeakPolarHBondContact CA-O 3.22Å; F106-V144 HydrophobicContact CD2-CG1 4.11Å; F106-I252 HydrophobicContact CE1-CG2 4.41Å; F106-I252 HydrophobicContact CZ-CB 4.49Å; F106-I252 HydrophobicContact CZ-CG2 3.82Å; F106-L254 HydrophobicContact CB-CD2 4.33Å; F106-L254 HydrophobicContact CD1-CB 4.3Å; F106-L254 HydrophobicContact CD2-CB 3.93Å; F106-L254 HydrophobicContact CD2-CD2 4.04Å; F106-L254 HydrophobicContact CD2-CG 4.49Å; F106-L254 HydrophobicContact CE1-CB 4.43Å; F106-L254 HydrophobicContact CE2-CB 4.07Å; F106-L254 HydrophobicContact CG-CB 4.04Å; F106-L254 HydrophobicContact CG-CD2 4.32Å; F106-L254 HydrophobicContact CZ-CB 4.33Å; F106-D265 HydrophobicContact CE1-CB 4.28Å
107H97Very high93.4Very high66 Ų6673.2 Ų73.231%0.30639%0.386SS..EExtended strand (participates in β ladder)trans-151.2164.4173.163.6-78.9000111.3G105 W143G105-H107 PolarHBondContact O-N 3.11Å; G105-H107 PolarHBondContact O-ND1 2.88Å; H107-W143 WeakPolarHBondContact CE1-CB 3.47Å; H107-W143 AromaticContact CE1-CG 3.96Å; H107-W143 PolarHBondContact N-O 2.95Å; H107-W143 VanDerWaalsContact N-O 3.12Å; H107-W143 VanDerWaalsContact NE2-CB 3.31Å; H107-W143 WeakPolarHBondContact NE2-CB 3.33Å; H107-W143 AromaticContact NE2-CG 3.58Å; H107-W143 PolarHBondContact O-N 3.06Å
108L97.6Very high93.3Very high19 Ų1974.1 Ų74.110%0.09940%0.401CS..EExtended strand (participates in β ladder)trans-100.9141.7-177.5-56174.5000112F106 F110 V140 Q141 L142 I252 D265 F267F106-L108 HydrophobicContact CE1-CD2 4.43Å; F106-L108 HydrophobicContact CZ-CD2 3.95Å; L108-F110 HydrophobicContact CB-CE2 4.12Å; L108-F110 HydrophobicContact CB-CZ 4.28Å; L108-V140 HydrophobicContact CD2-CG1 3.99Å; L108-Q141 CarbonylContact C-O 3.5Å; L108-Q141 WeakPolarHBondContact CA-O 3.41Å; L108-L142 HydrophobicContact CD2-CD2 3.53Å; L108-I252 HydrophobicContact CD1-CB 4.09Å; L108-I252 HydrophobicContact CD1-CG1 3.76Å; L108-I252 HydrophobicContact CD2-CB 4.14Å; L108-I252 HydrophobicContact CD2-CG1 4.22Å; L108-I252 HydrophobicContact CD2-CG2 4.19Å; L108-D265 HydrophobicContact CD1-CB 3.89Å; L108-D265 HydrophobicContact CG-CB 3.81Å; L108-D265 PolarHBondContact N-OD2 2.74Å; L108-F267 HydrophobicContact CD1-CD1 3.62Å; L108-F267 HydrophobicContact CD1-CE1 3.94Å
109G96.3Very high93.3Very high11 Ų1167.8 Ų67.811%0.11338%0.376CS..EExtended strand (participates in β ladder)trans-120.3157170.300000111.5Q141G109-Q141 PolarHBondContact N-O 3.31Å; G109-Q141 WeakPolarHBondContact O-CB 3.45Å; G109-Q141 PolarHBondContact O-N 3.09Å
110F96.7Very high93.2Very high31 Ų3168.1 Ų68.114%0.13637%0.374CS..  trans-137.8143.5179.8-58.9-88.9000110.1L108 Q112 Y123 L130 V140 F267L108-F110 HydrophobicContact CB-CE2 4.12Å; L108-F110 HydrophobicContact CB-CZ 4.28Å; F110-Q112 PolarHBondContact O-N 2.97Å; F110-Y123 HydrophobicContact CB-CD1 3.57Å; F110-Y123 HydrophobicContact CB-CD2 4.13Å; F110-Y123 HydrophobicContact CB-CE1 4.16Å; F110-Y123 HydrophobicContact CB-CG 3.54Å; F110-Y123 AromaticContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CE2 4.29Å; F110-Y123 HydrophobicContact CD1-CG 4.1Å; F110-Y123 AromaticContact CD2-CD1 3.82Å; F110-Y123 HydrophobicContact CD2-CD1 3.82Å; F110-Y123 AromaticContact CD2-CD2 3.71Å; F110-Y123 HydrophobicContact CD2-CD2 3.71Å; F110-Y123 AromaticContact CD2-CE1 3.56Å; F110-Y123 HydrophobicContact CD2-CE1 3.56Å; F110-Y123 AromaticContact CD2-CE2 3.46Å; F110-Y123 HydrophobicContact CD2-CE2 3.46Å; F110-Y123 VanDerWaalsContact CD2-CE2 3.46Å; F110-Y123 AromaticContact CD2-CG 3.87Å; F110-Y123 HydrophobicContact CD2-CG 3.87Å; F110-Y123 AromaticContact CD2-CZ 3.37Å; F110-Y123 HydrophobicContact CE1-CD2 4.14Å; F110-Y123 HydrophobicContact CE1-CE2 4.29Å; F110-Y123 HydrophobicContact CE2-CD2 4.04Å; F110-Y123 HydrophobicContact CE2-CE1 4.27Å; F110-Y123 AromaticContact CE2-CE2 3.48Å; F110-Y123 HydrophobicContact CE2-CE2 3.48Å; F110-Y123 VanDerWaalsContact CE2-CE2 3.48Å; F110-Y123 AromaticContact CE2-CZ 3.6Å; F110-Y123 AromaticContact CG-CD1 3.82Å; F110-Y123 HydrophobicContact CG-CD1 3.82Å; F110-Y123 AromaticContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CE1 4.07Å; F110-Y123 AromaticContact CG-CE2 3.89Å; F110-Y123 HydrophobicContact CG-CE2 3.89Å; F110-Y123 AromaticContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CZ-CD2 4.24Å; F110-Y123 AromaticContact CZ-CE2 3.92Å; F110-Y123 HydrophobicContact CZ-CE2 3.92Å; F110-L130 HydrophobicContact CD1-CD1 4.29Å; F110-V140 HydrophobicContact CD1-CG2 4.49Å; F110-V140 HydrophobicContact CE1-CG1 4.22Å; F110-V140 HydrophobicContact CE1-CG2 4Å; F110-F267 HydrophobicContact CE1-CD1 4.2Å; F110-F267 HydrophobicContact CE1-CD2 4.05Å; F110-F267 HydrophobicContact CE1-CE1 4.28Å; F110-F267 HydrophobicContact CE1-CE2 4.13Å; F110-F267 HydrophobicContact CE1-CG 4.07Å; F110-F267 HydrophobicContact CE1-CZ 4.25Å; F110-F267 HydrophobicContact CE2-CB 4.47Å; F110-F267 HydrophobicContact CZ-CB 3.84Å; F110-F267 AromaticContact CZ-CD1 3.61Å; F110-F267 HydrophobicContact CZ-CD1 3.61Å; F110-F267 AromaticContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CE1 4.09Å; F110-F267 HydrophobicContact CZ-CE2 4.42Å; F110-F267 AromaticContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CZ 4.47Å
111L92.6Very high93.2Very high86 Ų8664.3 Ų64.345%0.4536%0.361SS..  trans-64.6127.1174.7-66.5175.4000110.5S113 P139 Q141L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 PolarHBondContact O-OG 3.15Å; L111-P139 HydrophobicContact CD1-CB 4.23Å; L111-P139 HydrophobicContact CD1-CG 3.7Å; L111-P139 HydrophobicContact CG-CG 4.43Å; L111-Q141 VanDerWaalsContact CD2-NE2 3.34Å
112Q86Confident93.2Very high202 Ų20259 Ų5994%0.94434%0.336SS*.  trans-68.2103.4175.6-170.4168.97.100109.6F110F110-Q112 PolarHBondContact O-N 2.97Å
113S87.7Confident93.3Very high38 Ų3859.8 Ų59.827%0.26633%0.333SS..  trans-108.3146.7-177.6-58.20000110.7L111 R279L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 PolarHBondContact O-OG 3.15Å; S113-R279 PolarHBondContact O-NH1 3.37Å
114G87.8Confident93.4Very high52 Ų5253 Ų5354%0.53630%0.296SS..  trans-70.8173.9172.400000112.8T122G114-T122 PolarHBondContact O-OG1 2.86Å
115T89.1Confident93.4Very high40 Ų4054.5 Ų54.525%0.24531%0.312CS..  trans-107.523.1-178.2560000113.4G276 R279 R280T115-G276 CarbonylContact O-C 3.58Å; T115-G276 WeakPolarHBondContact O-CA 3.43Å; T115-R279 HydrophobicContact CG2-CG 4.21Å; T115-R280 HydrophobicContact CG2-CG 4.15Å
116A90.4Very high93.3Very high54 Ų5457.4 Ų57.445%0.44633%0.329SS..  trans-60.1154.2178.400000111.8S118 V119A116-S118 PolarHBondContact O-N 3.04Å; A116-V119 WeakPolarHBondContact O-CB 3.37Å; A116-V119 VanDerWaalsContact O-CG1 3.24Å; A116-V119 WeakPolarHBondContact O-CG1 3.42Å; A116-V119 PolarHBondContact O-N 3.05Å; A116-V119 VanDerWaalsContact O-N 3.12Å
117K84.7Confident93.2Very high180 Ų18059.1 Ų59.178%0.78334%0.338SS*.THydrogen-bonded Turntrans-62.8-25.7179.6-66.8-176.9-179178.20113.2V119K117-V119 VanDerWaalsContact C-N 3.33Å
118S90Very high93.1Very high103 Ų10358.8 Ų58.872%0.7234%0.339SS*.THydrogen-bonded Turntrans-81.9-7.4178.752.20000113.9A116 M120A116-S118 PolarHBondContact O-N 3.04Å; S118-M120 PolarHBondContact O-N 3.16Å
119V93.6Very high93.1Very high26 Ų2658.4 Ų58.416%0.15834%0.336CS..  trans-69.9127.1-176.6840000110.4A116 K117 C121 T122 P275A116-V119 WeakPolarHBondContact O-CB 3.37Å; A116-V119 VanDerWaalsContact O-CG1 3.24Å; A116-V119 WeakPolarHBondContact O-CG1 3.42Å; A116-V119 PolarHBondContact O-N 3.05Å; A116-V119 VanDerWaalsContact O-N 3.12Å; K117-V119 VanDerWaalsContact C-N 3.33Å; V119-C121 VanDerWaalsContact CG2-O 3.27Å; V119-C121 WeakPolarHBondContact CG2-O 3.24Å; V119-T122 HydrophobicContact CG1-CG2 3.96Å; V119-P275 HydrophobicContact CG1-CB 4.24Å
120M95.2Very high93.2Very high83 Ų8358 Ų5841%0.40933%0.332SS..SBendtrans-88.7-26.4-178.3-50.7-174.899.600112.2S118 C132 Q133 K136S118-M120 PolarHBondContact O-N 3.16Å; M120-C132 CarbonylContact O-C 3.55Å; M120-C132 VanDerWaalsContact O-CA 3.31Å; M120-C132 WeakPolarHBondContact O-CA 3.49Å; M120-Q133 PolarHBondContact O-N 2.75Å; M120-K136 HydrophobicContact CB-CB 4.37Å; M120-K136 HydrophobicContact CB-CG 4.36Å; M120-K136 HydrophobicContact CE-CD 3.45Å; M120-K136 VanDerWaalsContact CE-CD 3.45Å; M120-K136 HydrophobicContact CE-CG 3.9Å; M120-K136 VanDerWaalsContact CE-NZ 3.34Å; M120-K136 HydrophobicContact SD-CD 4.29Å
121C96.3Very high93.3Very high20 Ų2056.6 Ų56.614%0.13533%0.325CS..EExtended strand (participates in β ladder)trans-147.8128.9179.5-172.40000109.1V119 F131 C132V119-C121 VanDerWaalsContact CG2-O 3.27Å; V119-C121 WeakPolarHBondContact CG2-O 3.24Å; C121-F131 CarbonylContact C-O 3.47Å; C121-F131 WeakPolarHBondContact CA-O 3.45Å; C121-C132 HydrophobicContact CB-CB 4.33Å
122T97.1Very high93.5Very high0 Ų052.5 Ų52.50%030%0.304CS..EExtended strand (participates in β ladder)trans-145.2140.1177.2178.70000110.2G114 V119 F131 P275 R279G114-T122 PolarHBondContact O-OG1 2.86Å; V119-T122 HydrophobicContact CG1-CG2 3.96Å; T122-F131 HydrophobicContact CG2-CB 3.91Å; T122-F131 PolarHBondContact N-O 3.41Å; T122-F131 PolarHBondContact O-N 3.37Å; T122-P275 HydrophobicContact CG2-CB 3.88Å; T122-R279 HydrophobicContact CG2-CB 4.16Å; T122-R279 WeakPolarHBondContact OG1-CD 3.5Å; T122-R279 PolarHBondContact OG1-NH1 2.9Å
123Y97.3Very high94.1Very high39 Ų3945 Ų4515%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-103.5140176.4178.4-107.7000111.3F110 P125 N128 L130 R279F110-Y123 HydrophobicContact CB-CD1 3.57Å; F110-Y123 HydrophobicContact CB-CD2 4.13Å; F110-Y123 HydrophobicContact CB-CE1 4.16Å; F110-Y123 HydrophobicContact CB-CG 3.54Å; F110-Y123 AromaticContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CD2 3.84Å; F110-Y123 HydrophobicContact CD1-CE2 4.29Å; F110-Y123 HydrophobicContact CD1-CG 4.1Å; F110-Y123 AromaticContact CD2-CD1 3.82Å; F110-Y123 HydrophobicContact CD2-CD1 3.82Å; F110-Y123 AromaticContact CD2-CD2 3.71Å; F110-Y123 HydrophobicContact CD2-CD2 3.71Å; F110-Y123 AromaticContact CD2-CE1 3.56Å; F110-Y123 HydrophobicContact CD2-CE1 3.56Å; F110-Y123 AromaticContact CD2-CE2 3.46Å; F110-Y123 HydrophobicContact CD2-CE2 3.46Å; F110-Y123 VanDerWaalsContact CD2-CE2 3.46Å; F110-Y123 AromaticContact CD2-CG 3.87Å; F110-Y123 HydrophobicContact CD2-CG 3.87Å; F110-Y123 AromaticContact CD2-CZ 3.37Å; F110-Y123 HydrophobicContact CE1-CD2 4.14Å; F110-Y123 HydrophobicContact CE1-CE2 4.29Å; F110-Y123 HydrophobicContact CE2-CD2 4.04Å; F110-Y123 HydrophobicContact CE2-CE1 4.27Å; F110-Y123 AromaticContact CE2-CE2 3.48Å; F110-Y123 HydrophobicContact CE2-CE2 3.48Å; F110-Y123 VanDerWaalsContact CE2-CE2 3.48Å; F110-Y123 AromaticContact CE2-CZ 3.6Å; F110-Y123 AromaticContact CG-CD1 3.82Å; F110-Y123 HydrophobicContact CG-CD1 3.82Å; F110-Y123 AromaticContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CD2 3.61Å; F110-Y123 HydrophobicContact CG-CE1 4.07Å; F110-Y123 AromaticContact CG-CE2 3.89Å; F110-Y123 HydrophobicContact CG-CE2 3.89Å; F110-Y123 AromaticContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CG-CG 3.56Å; F110-Y123 HydrophobicContact CZ-CD2 4.24Å; F110-Y123 AromaticContact CZ-CE2 3.92Å; F110-Y123 HydrophobicContact CZ-CE2 3.92Å; Y123-P125 HydrophobicContact CD1-CG 4.12Å; Y123-P125 HydrophobicContact CE1-CB 4.28Å; Y123-P125 HydrophobicContact CE1-CG 4.08Å; Y123-N128 WeakPolarHBondContact OH-CA 3.33Å; Y123-N128 PolarHBondContact OH-OD1 2.93Å; Y123-L130 HydrophobicContact CD2-CB 4.48Å; Y123-L130 HydrophobicContact CD2-CD1 4.37Å; Y123-R279 PolarHBondContact O-NE 2.97Å; Y123-R279 PolarHBondContact O-NH1 3.42Å; Y123-R279 VanDerWaalsContact O-NH1 3.14Å; Y123-R279 PolarHBondContact O-NH2 2.86Å
124S96.6Very high94.5Very high0 Ų045.9 Ų45.90%027%0.27CS..EExtended strand (participates in β ladder)trans-106.8107.3172.8179.90000109.5P126 L127 N128 K129 E283S124-P126 WeakPolarHBondContact OG-CD 3.41Å; S124-L127 PolarHBondContact O-N 3.27Å; S124-N128 PolarHBondContact O-N 3.45Å; S124-N128 VanDerWaalsContact O-N 3.1Å; S124-K129 PolarHBondContact N-O 3.09Å; S124-K129 PolarHBondContact O-N 2.86Å; S124-K129 VanDerWaalsContact O-N 3.17Å; S124-E283 VanDerWaalsContact CB-OE1 3.23Å; S124-E283 WeakPolarHBondContact CB-OE1 3.01Å; S124-E283 VanDerWaalsContact OG-CG 3.31Å; S124-E283 WeakPolarHBondContact OG-CG 3.15Å; S124-E283 PolarHBondContact OG-OE1 2.67Å
125P95Very high94.8Very high81 Ų8145.3 Ų45.353%0.52626%0.26SS..THydrogen-bonded Turntrans-55.9-47.8173.6-25.134.4000115.1Y123 L127 N128Y123-P125 HydrophobicContact CD1-CG 4.12Å; Y123-P125 HydrophobicContact CE1-CB 4.28Å; Y123-P125 HydrophobicContact CE1-CG 4.08Å; P125-L127 PolarHBondContact O-N 3.07Å; P125-N128 PolarHBondContact O-N 2.85Å
126P94.3Very high95.1Very high75 Ų7547.5 Ų47.549%0.48727%0.266SS..THydrogen-bonded Turntrans-65.7-28.8-176.325.3-34.7000112.9S124 E283 F286S124-P126 WeakPolarHBondContact OG-CD 3.41Å; P126-E283 HydrophobicContact CG-CG 4.26Å; P126-F286 HydrophobicContact CB-CD1 4.4Å; P126-F286 HydrophobicContact CB-CE1 4.19Å
127L94.9Very high95.3Very high35 Ų3547.6 Ų47.618%0.18326%0.262CS..THydrogen-bonded Turntrans-91.8-8.9179.7-63.5177.7000113.6S124 P125 K129 F131 E282 E283 F286S124-L127 PolarHBondContact O-N 3.27Å; P125-L127 PolarHBondContact O-N 3.07Å; L127-K129 HydrophobicContact CB-CB 3.64Å; L127-K129 PolarHBondContact O-N 2.89Å; L127-F131 HydrophobicContact CD1-CE2 4.43Å; L127-F131 HydrophobicContact CD1-CZ 4.21Å; L127-E282 HydrophobicContact CD1-CB 3.85Å; L127-E283 HydrophobicContact CD1-CG 4.04Å; L127-E283 HydrophobicContact CG-CG 4.48Å; L127-F286 HydrophobicContact CD2-CB 3.69Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CD2 3.55Å; L127-F286 HydrophobicContact CD2-CE2 4.19Å; L127-F286 HydrophobicContact CD2-CG 3.51Å
128N96.5Very high95.9Very high60 Ų6039 Ų3932%0.32122%0.224SC..THydrogen-bonded Turntrans42.852.4-163.3-175.517.8000111.2Y123 S124 P125 S266 F267 E268Y123-N128 WeakPolarHBondContact OH-CA 3.33Å; Y123-N128 PolarHBondContact OH-OD1 2.93Å; S124-N128 PolarHBondContact O-N 3.45Å; S124-N128 VanDerWaalsContact O-N 3.1Å; P125-N128 PolarHBondContact O-N 2.85Å; N128-S266 PolarHBondContact ND2-O 3.48Å; N128-F267 WeakPolarHBondContact OD1-CB 3.32Å; N128-E268 PolarHBondContact O-N 2.68Å
129K97.6Very high96.2Very high11 Ų1135.5 Ų35.55%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-136.5126.6-167.6-172.8167.9-179.4168.40113S124 L127 F131 E268 E282S124-K129 PolarHBondContact N-O 3.09Å; S124-K129 PolarHBondContact O-N 2.86Å; S124-K129 VanDerWaalsContact O-N 3.17Å; L127-K129 HydrophobicContact CB-CB 3.64Å; L127-K129 PolarHBondContact O-N 2.89Å; K129-F131 HydrophobicContact CB-CE2 4Å; K129-F131 HydrophobicContact CB-CZ 4.48Å; K129-F131 HydrophobicContact CD-CE1 4.28Å; K129-F131 HydrophobicContact CD-CE2 3.99Å; K129-F131 HydrophobicContact CD-CZ 3.64Å; K129-F131 HydrophobicContact CG-CD2 4.3Å; K129-F131 HydrophobicContact CG-CE2 3.72Å; K129-F131 HydrophobicContact CG-CZ 3.9Å; K129-E268 CarbonylContact C-O 3.59Å; K129-E268 WeakPolarHBondContact CA-O 3.42Å; K129-E268 HydrophobicContact CB-CB 4.03Å; K129-E268 HydrophobicContact CD-CB 4.21Å; K129-E268 HydrophobicContact CD-CG 3.87Å; K129-E268 WeakPolarHBondContact CD-OE1 3.19Å; K129-E268 WeakPolarHBondContact CE-OE1 3.36Å; K129-E268 HydrophobicContact CG-CB 3.84Å; K129-E268 HydrophobicContact CG-CG 3.93Å; K129-E268 IonicContact NZ-OE1 2.65Å; K129-E268 PolarHBondContact NZ-OE1 3.32Å; K129-E282 WeakPolarHBondContact CD-OE2 3.39Å; K129-E282 VanDerWaalsContact CE-OE2 3.28Å; K129-E282 WeakPolarHBondContact CE-OE2 3.31Å; K129-E282 IonicContact NZ-OE1 3.45Å; K129-E282 PolarHBondContact NZ-OE1 3.01Å; K129-E282 IonicContact NZ-OE2 3.96Å; K129-E282 PolarHBondContact NZ-OE2 3.13Å
130L97.9Very high96.4Very high3 Ų334.2 Ų34.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-92.5128.7174.1-169.473000110.6F110 Y123 C138 Y233 F267 E268 V269 R270F110-L130 HydrophobicContact CD1-CD1 4.29Å; Y123-L130 HydrophobicContact CD2-CB 4.48Å; Y123-L130 HydrophobicContact CD2-CD1 4.37Å; L130-C138 HydrophobicContact CD2-CB 3.9Å; L130-Y233 HydrophobicContact CD2-CE2 4.36Å; L130-F267 HydrophobicContact CB-CD2 3.92Å; L130-F267 HydrophobicContact CB-CE2 4.05Å; L130-F267 HydrophobicContact CD2-CE2 3.89Å; L130-E268 PolarHBondContact N-O 2.86Å; L130-V269 HydrophobicContact CB-CG2 4.32Å; L130-V269 CarbonylContact O-C 3.03Å; L130-V269 WeakPolarHBondContact O-CA 3.35Å; L130-R270 PolarHBondContact O-N 2.59Å
131F98.1Very high96.5Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-110.6122.5172.7-60.7-102000108.2C121 T122 L127 K129 R270 P275 D278 R279 E282C121-F131 CarbonylContact C-O 3.47Å; C121-F131 WeakPolarHBondContact CA-O 3.45Å; T122-F131 HydrophobicContact CG2-CB 3.91Å; T122-F131 PolarHBondContact N-O 3.41Å; T122-F131 PolarHBondContact O-N 3.37Å; L127-F131 HydrophobicContact CD1-CE2 4.43Å; L127-F131 HydrophobicContact CD1-CZ 4.21Å; K129-F131 HydrophobicContact CB-CE2 4Å; K129-F131 HydrophobicContact CB-CZ 4.48Å; K129-F131 HydrophobicContact CD-CE1 4.28Å; K129-F131 HydrophobicContact CD-CE2 3.99Å; K129-F131 HydrophobicContact CD-CZ 3.64Å; K129-F131 HydrophobicContact CG-CD2 4.3Å; K129-F131 HydrophobicContact CG-CE2 3.72Å; K129-F131 HydrophobicContact CG-CZ 3.9Å; F131-R270 WeakPolarHBondContact CA-O 3.33Å; F131-R270 HydrophobicContact CD1-CB 4.05Å; F131-R270 HydrophobicContact CD1-CG 4.31Å; F131-R270 HydrophobicContact CE1-CB 4.32Å; F131-P275 HydrophobicContact CB-CB 3.78Å; F131-D278 HydrophobicContact CD1-CB 3.98Å; F131-D278 HydrophobicContact CE1-CB 4.17Å; F131-R279 HydrophobicContact CD1-CB 4.32Å; F131-R279 HydrophobicContact CD2-CB 3.76Å; F131-R279 HydrophobicContact CD2-CG 4.13Å; F131-R279 HydrophobicContact CE1-CB 4.42Å; F131-R279 HydrophobicContact CE2-CB 3.89Å; F131-R279 HydrophobicContact CE2-CG 4.05Å; F131-R279 HydrophobicContact CG-CB 4Å; F131-R279 HydrophobicContact CZ-CB 4.23Å; F131-E282 HydrophobicContact CE1-CB 4.44Å; F131-E282 HydrophobicContact CE1-CG 4.28Å; F131-E282 HydrophobicContact CZ-CB 4.09Å; F131-E282 HydrophobicContact CZ-CG 4.37Å
132C97.6Very high96.5Very high0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-141.7159.9-178.963.20000112.5M120 C121 C138 R270 V271 C272M120-C132 CarbonylContact O-C 3.55Å; M120-C132 VanDerWaalsContact O-CA 3.31Å; M120-C132 WeakPolarHBondContact O-CA 3.49Å; C121-C132 HydrophobicContact CB-CB 4.33Å; C132-C138 WeakPolarHBondContact CB-SG 3.29Å; C132-C138 VanDerWaalsContact SG-SG 3.69Å; C132-R270 PolarHBondContact N-O 2.78Å; C132-V271 CarbonylContact O-C 3.59Å; C132-V271 VanDerWaalsContact O-CA 3.28Å; C132-V271 WeakPolarHBondContact O-CA 3.24Å; C132-C272 PolarHBondContact O-N 2.83Å; C132-C272 VanDerWaalsContact O-O 3.11Å
133Q97.4Very high96.6Very high46 Ų4633.3 Ų33.322%0.21518%0.181CC..  trans-82.2156.4170.9-73.5-178.5-2900111.6M120 A135 K136 C272 A273 P275M120-Q133 PolarHBondContact O-N 2.75Å; Q133-A135 PolarHBondContact O-N 3.34Å; Q133-K136 HydrophobicContact CB-CB 4.16Å; Q133-K136 HydrophobicContact CB-CG 3.58Å; Q133-K136 PolarHBondContact O-N 2.96Å; Q133-C272 WeakPolarHBondContact CA-O 3.31Å; Q133-A273 PolarHBondContact NE2-O 3.26Å; Q133-P275 HydrophobicContact CG-CG 3.8Å
134L96.3Very high96.5Very high56 Ų5632.7 Ų32.729%0.29318%0.181SC..THydrogen-bonded Turntrans-52.7128.7175.2-17864.6000111.4K136 C235 V271L134-K136 PolarHBondContact O-N 3.29Å; L134-C235 VanDerWaalsContact CD1-CA 3.44Å; L134-C235 VanDerWaalsContact CD1-N 3.26Å; L134-V271 HydrophobicContact CB-CG1 4.38Å
135A94.7Very high96.5Very high39 Ų3937.6 Ų37.632%0.32222%0.216SC..THydrogen-bonded Turntrans55.120.9176.200000115.2Q133 Y233 M234Q133-A135 PolarHBondContact O-N 3.34Å; A135-Y233 PolarHBondContact N-O 3.1Å; A135-M234 HydrophobicContact CB-CE 3.74Å; A135-M234 HydrophobicContact CB-SD 3.98Å
136K95.4Very high96.4Very high86 Ų8636.1 Ų36.137%0.37421%0.21SC..  trans-94.1149.2173.2-61.6-57.2179168.40111.6M120 Q133 L134 C138M120-K136 HydrophobicContact CB-CB 4.37Å; M120-K136 HydrophobicContact CB-CG 4.36Å; M120-K136 HydrophobicContact CE-CD 3.45Å; M120-K136 VanDerWaalsContact CE-CD 3.45Å; M120-K136 HydrophobicContact CE-CG 3.9Å; M120-K136 VanDerWaalsContact CE-NZ 3.34Å; M120-K136 HydrophobicContact SD-CD 4.29Å; Q133-K136 HydrophobicContact CB-CB 4.16Å; Q133-K136 HydrophobicContact CB-CG 3.58Å; Q133-K136 PolarHBondContact O-N 2.96Å; L134-K136 PolarHBondContact O-N 3.29Å; K136-C138 PolarHBondContact O-N 2.76Å; K136-C138 PolarHBondContact O-SG 3.02Å; K136-C138 VanDerWaalsContact O-SG 3.37Å
137T95.6Very high96.4Very high57 Ų5737.3 Ų37.335%0.3522%0.216SC..EExtended strand (participates in β ladder)trans-66128.5-176.5-460000111.3E195 H230T137-E195 WeakPolarHBondContact CB-OE2 3.47Å; T137-E195 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E195 PolarHBondContact OG1-OE2 2.83Å; T137-H230 HydrophobicContact CG2-CB 3.77Å
138C96.5Very high96.4Very high0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-120.896.6-179.6-62.20000109L130 C132 K136 V140 Y231 Y233L130-C138 HydrophobicContact CD2-CB 3.9Å; C132-C138 WeakPolarHBondContact CB-SG 3.29Å; C132-C138 VanDerWaalsContact SG-SG 3.69Å; K136-C138 PolarHBondContact O-N 2.76Å; K136-C138 PolarHBondContact O-SG 3.02Å; K136-C138 VanDerWaalsContact O-SG 3.37Å; C138-V140 PolarHBondContact O-N 3.44Å; C138-Y231 WeakPolarHBondContact CB-O 3.28Å; C138-Y231 PolarHBondContact N-O 2.89Å; C138-Y231 PolarHBondContact O-N 3.35Å; C138-Y233 HydrophobicContact CB-CE2 4.36Å
139P96.3Very high96.4Very high28 Ų2836 Ų3618%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-71.6127.2177.728.1-32000110.5L111 T228L111-P139 HydrophobicContact CD1-CB 4.23Å; L111-P139 HydrophobicContact CD1-CG 3.7Å; L111-P139 HydrophobicContact CG-CG 4.43Å; P139-T228 HydrophobicContact CB-CG2 3.74Å
140V97.5Very high96.2Very high0 Ų040.4 Ų40.40%025%0.251CS..EExtended strand (participates in β ladder)trans-121.9123.5173.9179.30000107.8L108 F110 C138 T228 I229 Y231 F267L108-V140 HydrophobicContact CD2-CG1 3.99Å; F110-V140 HydrophobicContact CD1-CG2 4.49Å; F110-V140 HydrophobicContact CE1-CG1 4.22Å; F110-V140 HydrophobicContact CE1-CG2 4Å; C138-V140 PolarHBondContact O-N 3.44Å; V140-T228 WeakPolarHBondContact O-CA 3.34Å; V140-I229 PolarHBondContact N-O 2.81Å; V140-I229 PolarHBondContact O-N 3.29Å; V140-Y231 HydrophobicContact CB-CD2 4Å; V140-Y231 HydrophobicContact CB-CE2 3.92Å; V140-Y231 HydrophobicContact CG1-CE2 4.48Å; V140-Y231 HydrophobicContact CG2-CD2 3.63Å; V140-Y231 HydrophobicContact CG2-CE2 3.99Å; V140-F267 HydrophobicContact CG1-CE1 4.42Å; V140-F267 HydrophobicContact CG2-CE1 4.4Å; V140-F267 HydrophobicContact CG2-CZ 3.95Å
141Q97.1Very high96.1Very high17 Ų1742.5 Ų42.58%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-89.7133-179.4-59.8171.1-28.200109.4L108 G109 L111 Y226 T227L108-Q141 CarbonylContact C-O 3.5Å; L108-Q141 WeakPolarHBondContact CA-O 3.41Å; G109-Q141 PolarHBondContact N-O 3.31Å; G109-Q141 WeakPolarHBondContact O-CB 3.45Å; G109-Q141 PolarHBondContact O-N 3.09Å; L111-Q141 VanDerWaalsContact CD2-NE2 3.34Å; Q141-Y226 HydrophobicContact CB-CD2 3.85Å; Q141-Y226 HydrophobicContact CB-CE2 4.47Å; Q141-Y226 HydrophobicContact CB-CG 4.2Å; Q141-Y226 HydrophobicContact CG-CD2 3.63Å; Q141-Y226 HydrophobicContact CG-CE2 3.76Å; Q141-Y226 HydrophobicContact CG-CG 4.34Å; Q141-Y226 VanDerWaalsContact NE2-CZ 3.28Å; Q141-Y226 PolarHBondContact NE2-OH 3.15Å; Q141-T227 CarbonylContact C-O 3.53Å; Q141-T227 WeakPolarHBondContact CA-O 3.38Å
142L97.3Very high96Very high3 Ų342.7 Ų42.72%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-102.5122.5174.4-53.1-176.5000108.5F106 L108 V154 Y226 T227 I229 I252F106-L142 HydrophobicContact CE2-CB 4.36Å; F106-L142 HydrophobicContact CE2-CD2 4Å; F106-L142 HydrophobicContact CZ-CD2 4.11Å; L108-L142 HydrophobicContact CD2-CD2 3.53Å; L142-V154 HydrophobicContact CD1-CB 4.39Å; L142-V154 HydrophobicContact CD1-CG1 4.05Å; L142-V154 HydrophobicContact CD1-CG2 3.67Å; L142-Y226 WeakPolarHBondContact O-CA 3.33Å; L142-Y226 WeakPolarHBondContact O-CB 3.42Å; L142-T227 PolarHBondContact N-O 3.08Å; L142-T227 PolarHBondContact O-N 3.36Å; L142-T227 VanDerWaalsContact O-N 3.09Å; L142-I229 HydrophobicContact CD1-CD1 3.56Å; L142-I229 HydrophobicContact CD1-CG1 4.03Å; L142-I229 HydrophobicContact CG-CD1 4.31Å; L142-I229 HydrophobicContact CG-CG1 4.46Å; L142-I252 HydrophobicContact CD2-CG2 4.34Å
143W97.6Very high96Very high64 Ų6445.2 Ų45.224%0.24229%0.285CS..EExtended strand (participates in β ladder)trans-110.4134177.5-67.480.4000109.6F106 H107 E225 Y226F106-W143 WeakPolarHBondContact CA-O 3.22Å; H107-W143 WeakPolarHBondContact CE1-CB 3.47Å; H107-W143 AromaticContact CE1-CG 3.96Å; H107-W143 PolarHBondContact N-O 2.95Å; H107-W143 VanDerWaalsContact N-O 3.12Å; H107-W143 VanDerWaalsContact NE2-CB 3.31Å; H107-W143 WeakPolarHBondContact NE2-CB 3.33Å; H107-W143 AromaticContact NE2-CG 3.58Å; H107-W143 PolarHBondContact O-N 3.06Å; W143-E225 HydrophobicContact CE3-CB 4.34Å; W143-E225 HydrophobicContact CH2-CB 4.21Å; W143-E225 HydrophobicContact CZ3-CB 3.63Å; W143-Y226 AromaticContact CE2-CD1 3.84Å; W143-Y226 AromaticContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CE1 4.22Å; W143-Y226 HydrophobicContact CH2-CG 4.47Å; W143-Y226 AromaticContact CZ2-CD1 3.31Å; W143-Y226 HydrophobicContact CZ2-CD1 3.31Å; W143-Y226 AromaticContact CZ2-CE1 3.98Å; W143-Y226 HydrophobicContact CZ2-CE1 3.98Å; W143-Y226 AromaticContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ3-CD1 4.24Å
144V96.9Very high96Very high25 Ų2543 Ų4315%0.15228%0.275CS..  trans-138.4140.4174.3-65.40000109.3Y104 F106 P148 Y217 L254Y104-V144 CarbonylContact O-C 3.57Å; Y104-V144 WeakPolarHBondContact O-CA 3.32Å; F106-V144 HydrophobicContact CD2-CG1 4.11Å; V144-P148 HydrophobicContact CG1-CG 4.36Å; V144-Y217 VanDerWaalsContact CG2-OH 3.24Å; V144-Y217 WeakPolarHBondContact CG2-OH 3.43Å; V144-L254 HydrophobicContact CG1-CD2 4.5Å
145S94.8Very high96Very high104 Ų10442.4 Ų42.473%0.72727%0.269SS*.SBendtrans-82.3-23176.6-51.30000112.8Y104Y104-S145 PolarHBondContact O-N 2.77Å
146A94.1Very high96.2Very high49 Ų4940.5 Ų40.541%0.40525%0.253SS..SBendtrans-142.4146.3177.200000109.8Y104 P148Y104-A146 HydrophobicContact CD1-CB 4.15Å; Y104-A146 WeakPolarHBondContact CD1-O 3.43Å; A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.32Å
147T94.4Very high96.3Very high101 Ų10137.8 Ų37.862%0.6224%0.242SC*.PPolyproline II helixtrans-63.9121.9-179.5-51.20000110.6
148P95.5Very high96.4Very high9 Ų935.6 Ų35.66%0.05823%0.229CC..PPolyproline II helixtrans-59.7161.8173.8-24.135.1000112.8Y104 V144 A146 S152 Y217 L254Y104-P148 HydrophobicContact CG-CG 4.46Å; V144-P148 HydrophobicContact CG1-CG 4.36Å; A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-S152 WeakPolarHBondContact CB-OG 3.01Å; P148-Y217 HydrophobicContact CB-CD1 4.48Å; P148-Y217 HydrophobicContact CG-CD1 4.22Å; P148-Y217 HydrophobicContact CG-CE1 3.93Å; P148-Y217 HydrophobicContact CG-CE2 4.38Å; P148-L254 HydrophobicContact CB-CD2 4.34Å; P148-L254 HydrophobicContact CG-CD1 4.4Å; P148-L254 HydrophobicContact CG-CD2 3.8Å
149P95.4Very high96.4Very high58 Ų5835.6 Ų35.638%0.37723%0.229SC..PPolyproline II helixtrans-58.9154.1177.8-2235000112.4Y104 G151 S152Y104-P149 VanDerWaalsContact OH-CD 3.32Å; Y104-P149 WeakPolarHBondContact OH-CD 3.49Å; Y104-P149 VanDerWaalsContact OH-CG 3.31Å; Y104-P149 WeakPolarHBondContact OH-CG 3.28Å; P149-G151 PolarHBondContact O-N 3.05Å; P149-S152 WeakPolarHBondContact O-CB 3.34Å; P149-S152 PolarHBondContact O-N 3.49Å; P149-S152 VanDerWaalsContact O-N 3.14Å; P149-S152 PolarHBondContact O-OG 3.47Å; P149-S152 VanDerWaalsContact O-OG 3.08Å
150A94.6Very high96.5Very high103 Ų10334.4 Ų34.485%0.85122%0.222SC*.THydrogen-bonded Turntrans-58.2136.1174.600000110.8
151G94.6Very high96.4Very high48 Ų4839.3 Ų39.350%0.49524%0.243SC..THydrogen-bonded Turntrans85.16.7-175.900000114.8P149 R153 S257P149-G151 PolarHBondContact O-N 3.05Å; G151-R153 WeakPolarHBondContact O-CG 3.31Å; G151-S257 WeakPolarHBondContact O-CA 3.38Å; G151-S257 PolarHBondContact O-N 3.37Å
152S96.8Very high96.3Very high4 Ų443.7 Ų43.73%0.02826%0.261CS..  trans-57.9149.6168.5-79.60000112.5P148 P149 Y217 E255 L262P148-S152 WeakPolarHBondContact CB-OG 3.01Å; P149-S152 WeakPolarHBondContact O-CB 3.34Å; P149-S152 PolarHBondContact O-N 3.49Å; P149-S152 VanDerWaalsContact O-N 3.14Å; P149-S152 PolarHBondContact O-OG 3.47Å; P149-S152 VanDerWaalsContact O-OG 3.08Å; S152-Y217 WeakPolarHBondContact O-CB 3.48Å; S152-Y217 PolarHBondContact O-N 3.3Å; S152-E255 CarbonylContact C-O 3.52Å; S152-E255 VanDerWaalsContact CA-O 3.22Å; S152-E255 WeakPolarHBondContact CA-O 3.13Å; S152-L262 WeakPolarHBondContact OG-CD1 3.32Å
153R96.8Very high96Very high52 Ų5248.5 Ų48.520%0.19630%0.295CS..EExtended strand (participates in β ladder)trans-134.7151.8-173.9-55.417869.1-176.60.5110.2G151 E201 V214 V215 E255G151-R153 WeakPolarHBondContact O-CG 3.31Å; R153-E201 IonicContact CZ-OE1 2.64Å; R153-E201 IonicContact CZ-OE2 3.23Å; R153-E201 IonicContact NH1-OE2 3.88Å; R153-E201 IonicContact NH2-OE1 3.69Å; R153-E201 PolarHBondContact NH2-OE1 3.5Å; R153-E201 IonicContact NH2-OE2 3.61Å; R153-E201 PolarHBondContact NH2-OE2 3.33Å; R153-V214 HydrophobicContact CB-CG1 3.69Å; R153-V214 HydrophobicContact CG-CG1 4.41Å; R153-V214 VanDerWaalsContact NH2-CG1 3.31Å; R153-V215 CarbonylContact C-O 3.58Å; R153-V215 WeakPolarHBondContact CA-O 3.2Å; R153-E255 PolarHBondContact N-O 2.88Å; R153-E255 PolarHBondContact O-N 3.27Å
154V97.5Very high95.8Very high1 Ų151.5 Ų51.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-116.6122176.1-175.50000108.7L142 V214 V215 Y217 I229 I252 T253 L254L142-V154 HydrophobicContact CD1-CB 4.39Å; L142-V154 HydrophobicContact CD1-CG1 4.05Å; L142-V154 HydrophobicContact CD1-CG2 3.67Å; V154-V214 WeakPolarHBondContact O-CA 3.31Å; V154-V215 HydrophobicContact CB-CG2 4.17Å; V154-V215 PolarHBondContact N-O 3.34Å; V154-V215 PolarHBondContact O-N 3.13Å; V154-Y217 HydrophobicContact CG2-CD2 4.1Å; V154-I229 HydrophobicContact CB-CD1 3.89Å; V154-I229 HydrophobicContact CG1-CD1 3.71Å; V154-I229 HydrophobicContact CG2-CD1 4.25Å; V154-I252 HydrophobicContact CG1-CG2 3.58Å; V154-T253 WeakPolarHBondContact CA-O 3.23Å; V154-L254 HydrophobicContact CG2-CD1 4.08Å
155R97.7Very high95.6Very high42 Ų4252 Ų5216%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-110.8136.9179.4178-172.1-51.8-82.2-6.7110.7S212 V213 V214 I252 T253 E255R155-S212 PolarHBondContact NH1-OG 2.97Å; R155-V213 CarbonylContact C-O 3.48Å; R155-V213 VanDerWaalsContact CA-O 3.29Å; R155-V213 WeakPolarHBondContact CA-O 3.4Å; R155-V214 HydrophobicContact CB-CG2 3.93Å; R155-V214 HydrophobicContact CG-CG2 3.88Å; R155-I252 CarbonylContact O-C 3.54Å; R155-I252 VanDerWaalsContact O-CA 3.3Å; R155-I252 WeakPolarHBondContact O-CA 3.35Å; R155-T253 WeakPolarHBondContact CB-OG1 3.44Å; R155-T253 PolarHBondContact N-O 2.89Å; R155-T253 PolarHBondContact O-N 3.47Å; R155-E255 WeakPolarHBondContact CB-OE1 3.15Å; R155-E255 VanDerWaalsContact CD-OE1 3.31Å; R155-E255 WeakPolarHBondContact CD-OE1 3.23Å; R155-E255 IonicContact CZ-OE1 3.42Å; R155-E255 IonicContact CZ-OE2 3.69Å; R155-E255 VanDerWaalsContact NE-CD 3.33Å; R155-E255 IonicContact NE-OE1 2.63Å; R155-E255 PolarHBondContact NE-OE1 2.88Å; R155-E255 IonicContact NE-OE2 3.26Å; R155-E255 PolarHBondContact NE-OE2 2.78Å; R155-E255 IonicContact NH2-OE2 3.55Å; R155-E255 PolarHBondContact NH2-OE2 2.83Å
156A98Very high95.5Very high0 Ų048.6 Ų48.60%029%0.286CS..EExtended strand (participates in β ladder)trans-113.2131.9168.600000111I192 S212 V213 Y231 I251 I252A156-I192 HydrophobicContact CB-CD1 4.45Å; A156-I192 HydrophobicContact CB-CG2 4.26Å; A156-S212 WeakPolarHBondContact O-CA 3.48Å; A156-V213 HydrophobicContact CB-CG1 3.94Å; A156-V213 PolarHBondContact N-O 3.37Å; A156-V213 PolarHBondContact O-N 2.87Å; A156-V213 VanDerWaalsContact O-N 3.07Å; A156-Y231 HydrophobicContact CB-CD1 4.3Å; A156-Y231 HydrophobicContact CB-CE1 3.51Å; A156-I251 WeakPolarHBondContact CA-O 3.41Å; A156-I252 HydrophobicContact CB-CD1 3.58Å
157M97.5Very high95.4Very high29 Ų2948.6 Ų48.614%0.14328%0.281CS..EExtended strand (participates in β ladder)trans-138.5138.5177.4-176.8-178.6-68.600110.5P95 R210 I251P95-M157 HydrophobicContact CB-SD 4.36Å; P95-M157 HydrophobicContact CG-SD 3.9Å; M157-R210 HydrophobicContact CE-CB 4.04Å; M157-R210 HydrophobicContact SD-CB 4.05Å; M157-I251 PolarHBondContact N-O 2.88Å; M157-I251 PolarHBondContact O-N 2.94Å
158A97.6Very high95.4Very high10 Ų1046.4 Ų46.48%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-98.4140174.200000111.7V170 L191 I192 L249A158-V170 HydrophobicContact CB-CB 3.95Å; A158-V170 HydrophobicContact CB-CG1 3.89Å; A158-V170 HydrophobicContact CB-CG2 4.15Å; A158-L191 HydrophobicContact CB-CD2 4.36Å; A158-I192 HydrophobicContact CB-CD1 3.9Å; A158-I192 HydrophobicContact CB-CG1 4.49Å; A158-L249 WeakPolarHBondContact CA-O 3.35Å
159I96.9Very high95.4Very high0 Ų046.9 Ų46.90%027%0.266CS..EExtended strand (participates in β ladder)trans-131.5157.1167.962.3166.3000110.6P95 Q97 M166 I248 L249 I251P95-I159 HydrophobicContact CG-CG2 3.49Å; P95-I159 VanDerWaalsContact CG-CG2 3.49Å; Q97-I159 HydrophobicContact CB-CD1 4.5Å; I159-M166 HydrophobicContact CD1-CE 3.85Å; I159-I248 CarbonylContact O-C 3.43Å; I159-I248 WeakPolarHBondContact O-CA 3.39Å; I159-I248 WeakPolarHBondContact O-CB 3.29Å; I159-L249 HydrophobicContact CD1-CD2 4.34Å; I159-L249 HydrophobicContact CG1-CB 3.97Å; I159-L249 PolarHBondContact N-O 3.33Å; I159-L249 PolarHBondContact O-N 2.77Å; I159-I251 HydrophobicContact CD1-CD1 3.73Å; I159-I251 HydrophobicContact CG1-CD1 4.03Å; I159-I251 HydrophobicContact CG1-CG1 4.49Å; I159-I251 HydrophobicContact CG2-CD1 4.36Å
160Y97.5Very high95.4Very high4 Ų444.4 Ų44.42%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-72.4141.3168.6-67.6-68.3000110.7H165 M166 E168 V170 G242 M243 R246 I248Y160-H165 HydrophobicContact CD2-CB 4.03Å; Y160-H165 WeakPolarHBondContact CD2-O 3.47Å; Y160-H165 HydrophobicContact CG-CB 3.9Å; Y160-M166 WeakPolarHBondContact O-CG 3.36Å; Y160-E168 HydrophobicContact CD2-CB 3.96Å; Y160-E168 HydrophobicContact CE2-CB 3.92Å; Y160-V170 HydrophobicContact CD1-CG2 4.31Å; Y160-V170 HydrophobicContact CD2-CG2 3.85Å; Y160-V170 HydrophobicContact CE1-CG2 4.24Å; Y160-V170 HydrophobicContact CE2-CG2 3.78Å; Y160-V170 HydrophobicContact CG-CG2 4.12Å; Y160-G242 PolarHBondContact OH-O 3.4Å; Y160-M243 HydrophobicContact CE1-CB 4.33Å; Y160-M243 HydrophobicContact CE1-CG 4.19Å; Y160-R246 HydrophobicContact CD1-CB 3.62Å; Y160-R246 HydrophobicContact CE1-CB 3.76Å; Y160-R246 PolarHBondContact OH-NH2 2.72Å; Y160-R246 VanDerWaalsContact OH-NH2 3.08Å; Y160-I248 HydrophobicContact CD1-CG2 3.7Å; Y160-I248 HydrophobicContact CE1-CG2 3.87Å
161K96.3Very high95.4Very high102 Ų10240.9 Ų40.944%0.44322%0.215SC..SBendtrans-78-34.5-178.3178.2172.2173.9169.50113.3P247 E268K161-P247 HydrophobicContact CB-CB 4.24Å; K161-P247 PolarHBondContact N-O 3.04Å; K161-E268 HydrophobicContact CD-CG 4.46Å; K161-E268 VanDerWaalsContact CD-OE2 3.25Å; K161-E268 WeakPolarHBondContact CD-OE2 3.37Å; K161-E268 WeakPolarHBondContact CE-OE2 3.4Å; K161-E268 IonicContact NZ-OE2 2.78Å; K161-E268 PolarHBondContact NZ-OE2 3.02Å
162K94.2Very high95.4Very high109 Ų10938.8 Ų38.847%0.47419%0.192SC..SBendtrans-75.5131.2-177.9-66.6-173.4177.4-175.30110.1Q164 H165 M166K162-Q164 HydrophobicContact CB-CG 4.18Å; K162-Q164 PolarHBondContact O-N 2.88Å; K162-Q164 VanDerWaalsContact O-N 3.12Å; K162-H165 PolarHBondContact O-N 3.34Å; K162-M166 WeakPolarHBondContact O-CG 3.33Å; K162-M166 PolarHBondContact O-N 3.45Å
163S92.2Very high95.4Very high104 Ų10438.8 Ų38.873%0.72719%0.192SC*.G310 helixtrans-48.8-41.6-17952.80000113.7H165 M166S163-H165 PolarHBondContact O-N 3.36Å; S163-H165 VanDerWaalsContact O-N 3.11Å; S163-M166 PolarHBondContact O-N 3.19Å
164Q93.1Very high95.3Very high128 Ų12839 Ų3960%0.59820%0.2SC*.G310 helixtrans-61.8-17.9179.573.6-167.826.700114.9K162K162-Q164 HydrophobicContact CB-CG 4.18Å; K162-Q164 PolarHBondContact O-N 2.88Å; K162-Q164 VanDerWaalsContact O-N 3.12Å
165H92.6Very high95.1Very high35 Ų3545.7 Ų45.716%0.16223%0.231CC..G310 helixtrans-120.80.2-178.6-57.9-58.4000113.3Y160 K162 S163 T167 E168 R246Y160-H165 HydrophobicContact CD2-CB 4.03Å; Y160-H165 WeakPolarHBondContact CD2-O 3.47Å; Y160-H165 HydrophobicContact CG-CB 3.9Å; K162-H165 PolarHBondContact O-N 3.34Å; S163-H165 PolarHBondContact O-N 3.36Å; S163-H165 VanDerWaalsContact O-N 3.11Å; H165-T167 PolarHBondContact O-N 3.1Å; H165-E168 IonicContact CE1-OE1 2.69Å; H165-E168 IonicContact CG-OE1 3.02Å; H165-E168 IonicContact ND1-OE1 2.59Å; H165-E168 PolarHBondContact ND1-OE1 2.88Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.87Å; H165-R246 WeakPolarHBondContact CD2-CD 3.42Å; H165-R246 WeakPolarHBondContact NE2-CD 3.12Å
166M92.3Very high95Very high32 Ų3245 Ų4516%0.15823%0.229CC..THydrogen-bonded Turntrans-62-28.5-172.8-69.5-17289.100113.3V94 I159 Y160 K162 S163 E168 R210V94-M166 HydrophobicContact CG1-CB 3.99Å; V94-M166 HydrophobicContact CG1-CE 3.93Å; V94-M166 HydrophobicContact CG2-CB 4.09Å; I159-M166 HydrophobicContact CD1-CE 3.85Å; Y160-M166 WeakPolarHBondContact O-CG 3.36Å; K162-M166 WeakPolarHBondContact O-CG 3.33Å; K162-M166 PolarHBondContact O-N 3.45Å; S163-M166 PolarHBondContact O-N 3.19Å; M166-E168 VanDerWaalsContact C-N 3.31Å; M166-R210 PolarHBondContact O-NH2 3.36Å
167T92.5Very high94.7Very high50 Ų5047.2 Ų47.231%0.30724%0.24SC..THydrogen-bonded Turntrans-76.5-17.5176.951.70000112.9S91 V94 H165S91-T167 WeakPolarHBondContact CA-O 3.36Å; S91-T167 VanDerWaalsContact CB-O 3.23Å; S91-T167 WeakPolarHBondContact CB-O 3.47Å; S91-T167 PolarHBondContact N-O 3.44Å; S91-T167 VanDerWaalsContact O-CB 3.31Å; S91-T167 WeakPolarHBondContact O-CB 3.41Å; V94-T167 HydrophobicContact CG2-CG2 3.88Å; H165-T167 PolarHBondContact O-N 3.1Å
168E93.6Very high94.4Very high55 Ų5556.1 Ų56.126%0.25727%0.272SS..SBendtrans-76.1146.9176.7-63.2-178.2-130.100111.3L90 Y160 H165 M166 R210 R246L90-E168 HydrophobicContact CD2-CG 3.73Å; Y160-E168 HydrophobicContact CD2-CB 3.96Å; Y160-E168 HydrophobicContact CE2-CB 3.92Å; H165-E168 IonicContact CE1-OE1 2.69Å; H165-E168 IonicContact CG-OE1 3.02Å; H165-E168 IonicContact ND1-OE1 2.59Å; H165-E168 PolarHBondContact ND1-OE1 2.88Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.87Å; M166-E168 VanDerWaalsContact C-N 3.31Å; E168-R210 PolarHBondContact O-NH1 2.93Å; E168-R246 VanDerWaalsContact CD-NH1 3.25Å; E168-R246 IonicContact OE1-NH1 3.34Å; E168-R246 PolarHBondContact OE1-NH1 3.17Å; E168-R246 IonicContact OE2-CZ 2.76Å; E168-R246 IonicContact OE2-NH1 3.8Å; E168-R246 PolarHBondContact OE2-NH1 3.26Å; E168-R246 IonicContact OE2-NH2 3.9Å
169V94.7Very high93.7Very high18 Ų1858.3 Ų58.311%0.10929%0.286CS..  trans-80.6132.7174.8-179.20000109.6R171 F209 R210V169-R171 HydrophobicContact CB-CG 4.43Å; V169-R171 HydrophobicContact CG1-CG 3.84Å; V169-R171 PolarHBondContact O-N 2.88Å; V169-F209 VanDerWaalsContact CG1-O 3.28Å; V169-F209 WeakPolarHBondContact CG1-O 3.46Å; V169-F209 HydrophobicContact CG2-CB 4.17Å; V169-R210 HydrophobicContact CG2-CG 4.39Å
170V96.1Very high92.4Very high7 Ų763.9 Ų63.94%0.04233%0.325CS..  trans-78.9114.9173.7-178.60000109.1A158 Y160 L191 M243 I248A158-V170 HydrophobicContact CB-CB 3.95Å; A158-V170 HydrophobicContact CB-CG1 3.89Å; A158-V170 HydrophobicContact CB-CG2 4.15Å; Y160-V170 HydrophobicContact CD1-CG2 4.31Å; Y160-V170 HydrophobicContact CD2-CG2 3.85Å; Y160-V170 HydrophobicContact CE1-CG2 4.24Å; Y160-V170 HydrophobicContact CE2-CG2 3.78Å; Y160-V170 HydrophobicContact CG-CG2 4.12Å; V170-L191 HydrophobicContact CG1-CD2 3.46Å; V170-L191 VanDerWaalsContact CG1-CD2 3.46Å; V170-M243 HydrophobicContact CG1-CG 4.28Å; V170-I248 HydrophobicContact CG1-CG2 4.2Å; V170-I248 HydrophobicContact CG2-CG2 4.15Å
171R94.2Very high90.9Very high28 Ų2866.5 Ų66.511%0.10634%0.339CS..  trans-127.1162.4178.6-60.5-167.3163.5142.2-7.6111.3V169 E204 H211V169-R171 HydrophobicContact CB-CG 4.43Å; V169-R171 HydrophobicContact CG1-CG 3.84Å; V169-R171 PolarHBondContact O-N 2.88Å; R171-E204 IonicContact NH2-OE1 2.86Å; R171-E204 PolarHBondContact NH2-OE1 2.82Å; R171-H211 PolarHBondContact NE-CE1 2.91Å; R171-H211 PolarHBondContact NE-NE2 3.38Å
172R96Very high89Confident4 Ų464.8 Ų64.82%0.01535%0.35CS..  trans-67.6159166.9-62.4178.381.2-160.54.3109.5H176 D181 P188 H190 M234 C235R172-H176 PolarHBondContact NH1-O 3.05Å; R172-H176 PolarHBondContact NH2-O 2.83Å; R172-D181 IonicContact CZ-OD2 3.31Å; R172-D181 IonicContact NH2-OD2 2.87Å; R172-D181 PolarHBondContact NH2-OD2 2.97Å; R172-P188 WeakPolarHBondContact CD-O 3.44Å; R172-P188 PolarHBondContact NH1-O 2.96Å; R172-H190 WeakPolarHBondContact CD-O 3.39Å; R172-M234 PolarHBondContact NE-O 3.13Å; R172-M234 PolarHBondContact NH2-O 3.17Å; R172-M234 VanDerWaalsContact NH2-O 3.1Å; R172-C235 HydrophobicContact CB-CB 4.34Å; R172-C235 HydrophobicContact CG-CB 4.16Å
173C96Very high87.5Confident4 Ų464.2 Ų64.23%0.02735%0.353CS..  trans-71.6155.4171.964.20000110.8H175 H176 E177 C239 M240C173-H175 PolarHBondContact O-N 2.88Å; C173-H176 PolarHBondContact O-N 2.9Å; C173-H176 PolarHBondContact SG-ND1 3.48Å; C173-H176 VanDerWaalsContact SG-ND1 3.36Å; C173-E177 WeakPolarHBondContact O-CB 3.35Å; C173-E177 PolarHBondContact O-N 3.29Å; C173-C239 HydrophobicContact CB-CB 4Å; C173-M240 WeakPolarHBondContact CB-O 3.28Å
174P94.7Very high86.4Confident57 Ų5763.8 Ų63.837%0.3736%0.364SS..Hα-helixtrans-54.6-31.8179.5-28.935.4000114.2R178P174-R178 WeakPolarHBondContact O-CB 3.29Å; P174-R178 WeakPolarHBondContact O-CD 3.21Å; P174-R178 WeakPolarHBondContact O-CG 3.43Å; P174-R178 PolarHBondContact O-N 2.8Å; P174-R178 VanDerWaalsContact O-N 3.15Å
175H94.3Very high85.8Confident142 Ų14263.9 Ų63.966%0.65737%0.368SS*.Hα-helixtrans-63.4-50.7176.4176.4-86.7000112.1C173 C179C173-H175 PolarHBondContact O-N 2.88Å; H175-C179 PolarHBondContact O-N 3.07Å
176H93.6Very high85.6Confident27 Ų2762.7 Ų62.713%0.12537%0.365CS..Hα-helixtrans-75.6-30.3-179.7-76.3142.7000112.5R172 C173 R178 C179 C235 C239R172-H176 PolarHBondContact NH1-O 3.05Å; R172-H176 PolarHBondContact NH2-O 2.83Å; C173-H176 PolarHBondContact O-N 2.9Å; C173-H176 PolarHBondContact SG-ND1 3.48Å; C173-H176 VanDerWaalsContact SG-ND1 3.36Å; H176-R178 VanDerWaalsContact C-N 3.32Å; H176-C179 PolarHBondContact O-N 3.49Å; H176-C179 VanDerWaalsContact O-O 3.1Å; H176-C235 PolarHBondContact ND1-SG 3.12Å; H176-C235 VanDerWaalsContact ND1-SG 3.45Å; H176-C239 PolarHBondContact CE1-SG 3.22Å
177E92.5Very high85.6Confident47 Ų4763.2 Ų63.222%0.2237%0.37CS..Hα-helixtrans-63.4-38.2174.3-173.5-179.217500112C173 C179 P188 Q189C173-E177 WeakPolarHBondContact O-CB 3.35Å; C173-E177 PolarHBondContact O-N 3.29Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-P188 WeakPolarHBondContact O-CB 3.34Å; E177-Q189 HydrophobicContact CG-CG 4.18Å; E177-Q189 WeakPolarHBondContact OE1-CG 3.06Å
178R90.9Very high85.6Confident216 Ų21663.3 Ų63.382%0.81537%0.372SS*.Hα-helixtrans-74.8-20.3175.1-68.2172.3-169.3-158.12.2113.3P174 H176 S180P174-R178 WeakPolarHBondContact O-CB 3.29Å; P174-R178 WeakPolarHBondContact O-CD 3.21Å; P174-R178 WeakPolarHBondContact O-CG 3.43Å; P174-R178 PolarHBondContact O-N 2.8Å; P174-R178 VanDerWaalsContact O-N 3.15Å; H176-R178 VanDerWaalsContact C-N 3.32Å; R178-S180 PolarHBondContact O-N 3.21Å
179C82.8Confident85.6Confident56 Ų5663.6 Ų63.638%0.37837%0.373SS..SBendtrans-79.6114.9176-158.40000109.1H175 H176 E177 D181H175-C179 PolarHBondContact O-N 3.07Å; H176-C179 PolarHBondContact O-N 3.49Å; H176-C179 VanDerWaalsContact O-O 3.1Å; E177-C179 VanDerWaalsContact C-N 3.3Å; C179-D181 PolarHBondContact O-N 2.81Å; C179-D181 PolarHBondContact SG-OD1 3.4Å
180S70.1Confident85.6Confident117 Ų11763 Ų6382%0.81837%0.369SS*.  trans-74.672.4173.858.60000110R178 G182R178-S180 PolarHBondContact O-N 3.21Å; S180-G182 PolarHBondContact O-N 2.86Å
181D66.2Low85.6Confident58 Ų5862.9 Ų62.931%0.3137%0.368SS..  trans-72.7113.8173.6-59.9-39.9000108.4R172 C179 D183 R193 M234R172-D181 IonicContact CZ-OD2 3.31Å; R172-D181 IonicContact NH2-OD2 2.87Å; R172-D181 PolarHBondContact NH2-OD2 2.97Å; C179-D181 PolarHBondContact O-N 2.81Å; C179-D181 PolarHBondContact SG-OD1 3.4Å; D181-D183 PolarHBondContact O-N 2.95Å; D181-R193 PolarHBondContact O-NH1 3.46Å; D181-M234 HydrophobicContact CB-CE 4.35Å
182G56.2Low85.7Confident66 Ų6662 Ų6268%0.6837%0.365SS*.SBendtrans-47.2117.1-166.800000116.1S180S180-G182 PolarHBondContact O-N 2.86Å
183D62.3Low85.7Confident98 Ų9862.4 Ų62.452%0.52437%0.367SS..  trans177.996.9135.9-92.7-23.7000102.4D181 L185 A186D181-D183 PolarHBondContact O-N 2.95Å; D183-L185 PolarHBondContact O-N 2.73Å; D183-A186 PolarHBondContact O-N 3.3Å
184G70.2Confident85.7Confident94 Ų9462.8 Ų62.897%0.96937%0.369SS*.THydrogen-bonded Turntrans-58.3-2.1-170.500000115.4
185L80.2Confident85.5Confident131 Ų13163 Ų6369%0.68637%0.365SS*.THydrogen-bonded Turntrans-79-26.1174.1-60.2175.1000113.3D183 Y202D183-L185 PolarHBondContact O-N 2.73Å; L185-Y202 WeakPolarHBondContact O-CD2 3.49Å
186A88.4Confident85Confident10 Ų1060.1 Ų60.18%0.08337%0.374CS..SBendtrans-103.2121.2-174.600000111.4D183 R193 Y202D183-A186 PolarHBondContact O-N 3.3Å; A186-R193 HydrophobicContact CB-CG 3.94Å; A186-Y202 HydrophobicContact CB-CD2 4.14Å; A186-Y202 HydrophobicContact CB-CE1 4Å; A186-Y202 HydrophobicContact CB-CE2 3.55Å; A186-Y202 VanDerWaalsContact CB-CZ 3.48Å
187P92Very high84.5Confident42 Ų4260.5 Ų60.527%0.27338%0.377SS..  trans-56.5138.9177.4-22.431.6000111.3Q189 H190 Y202P187-Q189 VanDerWaalsContact CB-OE1 3.23Å; P187-Q189 PolarHBondContact O-N 3.34Å; P187-H190 PolarHBondContact O-N 3.13Å; P187-H190 VanDerWaalsContact O-N 3.16Å; P187-Y202 VanDerWaalsContact CD-CB 3.41Å
188P92.9Very high83.7Confident52 Ų5265 Ų6534%0.33840%0.401SS..THydrogen-bonded Turntrans-63.5-18.1-172.423.4-32.8000113.4R172 E177R172-P188 WeakPolarHBondContact CD-O 3.44Å; R172-P188 PolarHBondContact NH1-O 2.96Å; E177-P188 WeakPolarHBondContact O-CB 3.34Å
189Q93Very high83.4Confident61 Ų6162.7 Ų62.729%0.28539%0.394SS..THydrogen-bonded Turntrans-80.5-19.3-178.9-5085.8-2.100113.6E177 P187 L191 H211E177-Q189 HydrophobicContact CG-CG 4.18Å; E177-Q189 WeakPolarHBondContact OE1-CG 3.06Å; P187-Q189 VanDerWaalsContact CB-OE1 3.23Å; P187-Q189 PolarHBondContact O-N 3.34Å; Q189-L191 PolarHBondContact O-N 3.45Å; Q189-H211 PolarHBondContact O-CE1 3.15Å; Q189-H211 PolarHBondContact O-ND1 3.08Å
190H95.1Very high83.9Confident6 Ų661 Ų613%0.02838%0.382CS..  trans-76.1124.8-175-78.3-121.9000111.5R172 P187 Y202 L203 S212R172-H190 WeakPolarHBondContact CD-O 3.39Å; P187-H190 PolarHBondContact O-N 3.13Å; P187-H190 VanDerWaalsContact O-N 3.16Å; H190-Y202 HydrophobicContact CB-CD1 4.22Å; H190-Y202 AromaticContact CG-CD1 3.96Å; H190-Y202 AromaticContact ND1-CD1 3.52Å; H190-L203 PolarHBondContact CE1-O 3.46Å; H190-S212 PolarHBondContact CE1-O 3.1Å; H190-S212 VanDerWaalsContact CE1-O 3.27Å; H190-S212 PolarHBondContact ND1-O 3.27Å
191L96.4Very high85.1Confident4 Ų460 Ų602%0.02137%0.365CS..SBendtrans-71.3-44.6176.1174.764.5000112.1A158 V170 Q189 Y233 M234 C235 M243 I248A158-L191 HydrophobicContact CB-CD2 4.36Å; V170-L191 HydrophobicContact CG1-CD2 3.46Å; V170-L191 VanDerWaalsContact CG1-CD2 3.46Å; Q189-L191 PolarHBondContact O-N 3.45Å; L191-Y233 HydrophobicContact CD2-CD1 4.5Å; L191-Y233 HydrophobicContact CG-CD1 4.35Å; L191-Y233 WeakPolarHBondContact O-CA 3.4Å; L191-M234 WeakPolarHBondContact O-CG 3.27Å; L191-M234 PolarHBondContact O-N 3.1Å; L191-C235 HydrophobicContact CD1-CB 3.55Å; L191-M243 HydrophobicContact CD1-CE 3.9Å; L191-M243 HydrophobicContact CD2-CE 4.06Å; L191-M243 HydrophobicContact CD2-SD 3.99Å; L191-I248 HydrophobicContact CD2-CD1 3.78Å
192I97Very high86.5Confident10 Ų1059 Ų595%0.05136%0.357CS..EExtended strand (participates in β ladder)trans-95.8127.4-176.4-56.1175.2000108.1A156 A158 V213 Y231 K232 Y233 T250A156-I192 HydrophobicContact CB-CD1 4.45Å; A156-I192 HydrophobicContact CB-CG2 4.26Å; A158-I192 HydrophobicContact CB-CD1 3.9Å; A158-I192 HydrophobicContact CB-CG1 4.49Å; I192-V213 HydrophobicContact CB-CG1 4.43Å; I192-V213 HydrophobicContact CG2-CG1 3.93Å; I192-Y231 HydrophobicContact CG2-CD1 3.65Å; I192-Y231 HydrophobicContact CG2-CE1 4.31Å; I192-Y231 HydrophobicContact CG2-CG 4.39Å; I192-K232 WeakPolarHBondContact CA-O 3.33Å; I192-Y233 HydrophobicContact CD1-CE1 4.11Å; I192-Y233 HydrophobicContact CG1-CD1 4.06Å; I192-Y233 HydrophobicContact CG1-CE1 3.73Å; I192-T250 HydrophobicContact CD1-CG2 3.92Å
193R95.6Very high88.3Confident13 Ų1358.8 Ų58.85%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-119.6154.9170.5-65.6-173.3-177.5179.3-1.4110.7D181 A186 Y202 Y231 K232 M234D181-R193 PolarHBondContact O-NH1 3.46Å; A186-R193 HydrophobicContact CB-CG 3.94Å; R193-Y202 WeakPolarHBondContact CA-OH 3.21Å; R193-Y202 HydrophobicContact CB-CE1 4.4Å; R193-Y202 WeakPolarHBondContact CB-OH 3.29Å; R193-Y202 HydrophobicContact CG-CE1 4.13Å; R193-Y231 CarbonylContact O-C 3.51Å; R193-Y231 VanDerWaalsContact O-CA 3.29Å; R193-Y231 WeakPolarHBondContact O-CA 3.38Å; R193-K232 HydrophobicContact CB-CB 4.37Å; R193-K232 PolarHBondContact N-O 3.33Å; R193-K232 PolarHBondContact O-N 3.42Å; R193-M234 HydrophobicContact CB-CG 4.41Å; R193-M234 HydrophobicContact CB-SD 4.5Å; R193-M234 HydrophobicContact CG-CG 3.74Å; R193-M234 HydrophobicContact CG-SD 4.3Å
194V95.1Very high89.8Confident11 Ų1158.7 Ų58.77%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-107132.9171.3-179.20000109N197 P200 Y202 V213 V215 I229 H230 Y231V194-N197 HydrophobicContact CG1-CB 3.86Å; V194-P200 HydrophobicContact CB-CB 4.35Å; V194-Y202 PolarHBondContact N-OH 2.83Å; V194-Y202 VanDerWaalsContact N-OH 3.11Å; V194-V213 HydrophobicContact CB-CG2 4.44Å; V194-V213 HydrophobicContact CG2-CB 4.46Å; V194-V213 HydrophobicContact CG2-CG1 3.88Å; V194-V213 HydrophobicContact CG2-CG2 3.71Å; V194-V215 HydrophobicContact CB-CG1 4.23Å; V194-V215 HydrophobicContact CG1-CG1 3.99Å; V194-V215 HydrophobicContact CG2-CG1 4.06Å; V194-I229 HydrophobicContact CG1-CG2 3.93Å; V194-I229 HydrophobicContact CG2-CG2 4.37Å; V194-H230 WeakPolarHBondContact CA-O 3.33Å; V194-Y231 HydrophobicContact CG2-CD1 3.81Å; V194-Y231 HydrophobicContact CG2-CE1 3.68Å
195E91.5Very high90.9Very high63 Ų6357.3 Ų57.329%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-104.2147.5175.8175.6173.8-132.700110.6T137 N197 H230 K232T137-E195 WeakPolarHBondContact CB-OE2 3.47Å; T137-E195 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E195 PolarHBondContact OG1-OE2 2.83Å; E195-N197 PolarHBondContact O-N 3.37Å; E195-H230 HydrophobicContact CB-CB 4.18Å; E195-H230 PolarHBondContact N-O 3.34Å; E195-K232 HydrophobicContact CB-CD 4.45Å; E195-K232 WeakPolarHBondContact OE1-CE 3.43Å; E195-K232 IonicContact OE1-NZ 3.21Å; E195-K232 PolarHBondContact OE1-NZ 3.5Å; E195-K232 WeakPolarHBondContact OE2-CE 3.44Å; E195-K232 IonicContact OE2-NZ 3.95Å
196G84.2Confident91.4Very high81 Ų8162.2 Ų62.284%0.83532%0.316SS*.SBendtrans74.91.3172.600000115.1
197N82.5Confident91.4Very high35 Ų3569.4 Ų69.419%0.18735%0.348CS..  trans-99.9137.1170.6-164.6-71000109.7V194 E195 Y199 P200 V215V194-N197 HydrophobicContact CG1-CB 3.86Å; E195-N197 PolarHBondContact O-N 3.37Å; N197-Y199 PolarHBondContact OD1-N 3.22Å; N197-P200 WeakPolarHBondContact O-CD 3.45Å; N197-V215 HydrophobicContact CB-CG1 4.17Å
198L76.1Confident91.3Very high140 Ų14068.1 Ų68.173%0.73334%0.339SS*.SBendtrans-80.8-20.7-177.9-66.2176.2000113.5P200L198-P200 VanDerWaalsContact C-CD 3.42Å
199Y84.9Confident91.3Very high169 Ų16969.2 Ų69.266%0.66334%0.339SS*.  trans-131.550.5-173.4-52.7-74.5000113.4N197 E201N197-Y199 PolarHBondContact OD1-N 3.22Å; Y199-E201 PolarHBondContact O-N 3.12Å
200P92.9Very high91.4Very high21 Ų2166.6 Ų66.614%0.13633%0.326CS..  trans-70122.1171.730.7-33.5000110.2V194 N197 L198 Y202 V213 V215V194-P200 HydrophobicContact CB-CB 4.35Å; N197-P200 WeakPolarHBondContact O-CD 3.45Å; L198-P200 VanDerWaalsContact C-CD 3.42Å; P200-Y202 HydrophobicContact CB-CE2 3.87Å; P200-Y202 HydrophobicContact CG-CE2 3.93Å; P200-V213 HydrophobicContact CB-CG2 4.14Å; P200-V215 HydrophobicContact CB-CG1 4.17Å
201E94.7Very high91.5Very high95 Ų9567.1 Ų67.144%0.44433%0.329SS..EExtended strand (participates in β ladder)trans-93.6113.3172.1-72.4177.1-135.800109.4R153 Y199 L203 V213 V214R153-E201 IonicContact CZ-OE1 2.64Å; R153-E201 IonicContact CZ-OE2 3.23Å; R153-E201 IonicContact NH1-OE2 3.88Å; R153-E201 IonicContact NH2-OE1 3.69Å; R153-E201 PolarHBondContact NH2-OE1 3.5Å; R153-E201 IonicContact NH2-OE2 3.61Å; R153-E201 PolarHBondContact NH2-OE2 3.33Å; Y199-E201 PolarHBondContact O-N 3.12Å; E201-L203 HydrophobicContact CB-CD1 4.09Å; E201-L203 WeakPolarHBondContact O-CD1 3.38Å; E201-V213 CarbonylContact O-C 3.57Å; E201-V213 WeakPolarHBondContact O-CA 3.31Å; E201-V214 HydrophobicContact CB-CB 4.47Å; E201-V214 PolarHBondContact N-O 3.23Å; E201-V214 PolarHBondContact O-N 2.79Å
202Y95.5Very high91.5Very high37 Ų3767.2 Ų67.215%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-90.6120.4173.5-67.1-84.5000109.5L185 A186 P187 H190 R193 V194 P200 V213L185-Y202 WeakPolarHBondContact O-CD2 3.49Å; A186-Y202 HydrophobicContact CB-CD2 4.14Å; A186-Y202 HydrophobicContact CB-CE1 4Å; A186-Y202 HydrophobicContact CB-CE2 3.55Å; A186-Y202 VanDerWaalsContact CB-CZ 3.48Å; P187-Y202 VanDerWaalsContact CD-CB 3.41Å; H190-Y202 HydrophobicContact CB-CD1 4.22Å; H190-Y202 AromaticContact CG-CD1 3.96Å; H190-Y202 AromaticContact ND1-CD1 3.52Å; R193-Y202 WeakPolarHBondContact CA-OH 3.21Å; R193-Y202 HydrophobicContact CB-CE1 4.4Å; R193-Y202 WeakPolarHBondContact CB-OH 3.29Å; R193-Y202 HydrophobicContact CG-CE1 4.13Å; V194-Y202 PolarHBondContact N-OH 2.83Å; V194-Y202 VanDerWaalsContact N-OH 3.11Å; P200-Y202 HydrophobicContact CB-CE2 3.87Å; P200-Y202 HydrophobicContact CG-CE2 3.93Å; Y202-V213 HydrophobicContact CD1-CB 3.83Å; Y202-V213 HydrophobicContact CD1-CG2 3.77Å; Y202-V213 HydrophobicContact CE1-CB 3.82Å; Y202-V213 HydrophobicContact CE1-CG2 3.53Å; Y202-V213 HydrophobicContact CE2-CG2 4.43Å; Y202-V213 HydrophobicContact CG-CG2 4.33Å
203L94.5Very high91.5Very high62 Ų6266.9 Ų66.933%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-119.3133-178.2-61.5107.2000111.7H190 E201 S212 V214H190-L203 PolarHBondContact CE1-O 3.46Å; E201-L203 HydrophobicContact CB-CD1 4.09Å; E201-L203 WeakPolarHBondContact O-CD1 3.38Å; L203-S212 PolarHBondContact N-O 2.88Å; L203-S212 PolarHBondContact O-N 2.91Å; L203-V214 HydrophobicContact CD1-CB 4.07Å; L203-V214 HydrophobicContact CD1-CG2 3.4Å
204E94.5Very high91.6Very high96 Ų9666.3 Ų66.345%0.44933%0.326SS..EExtended strand (participates in β ladder)trans-105118.4161.2-179.1171.5-16800108.4R171 R206 H211R171-E204 IonicContact NH2-OE1 2.86Å; R171-E204 PolarHBondContact NH2-OE1 2.82Å; E204-R206 PolarHBondContact O-N 3.04Å; E204-H211 IonicContact OE1-NE2 2.9Å
205D92.5Very high91.6Very high65 Ų6565.9 Ų65.935%0.34832%0.323SS..  trans-69126.1178.4-177.7-41.6000110.4Q207 T208 F209 R210D205-Q207 VanDerWaalsContact C-N 3.27Å; D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.5Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.45Å; D205-Q207 PolarHBondContact OD1-N 2.96Å; D205-T208 WeakPolarHBondContact CB-OG1 3.19Å; D205-T208 PolarHBondContact OD1-N 3.34Å; D205-T208 PolarHBondContact OD2-OG1 2.82Å; D205-T208 VanDerWaalsContact OD2-OG1 3.06Å; D205-F209 WeakPolarHBondContact O-CA 3.1Å; D205-F209 PolarHBondContact O-N 3.22Å; D205-R210 PolarHBondContact N-O 3.11Å; D205-R210 VanDerWaalsContact N-O 3.1Å
206R90.1Very high91.8Very high234 Ų23465.5 Ų65.588%0.88333%0.327SS*.THydrogen-bonded Turntrans-67.4-23.5-176.9-67.3-174.4176.2175.3-0.9114.4E204E204-R206 PolarHBondContact O-N 3.04Å
207Q88.5Confident92.4Very high160 Ų16063 Ų6375%0.74829%0.292SS*.THydrogen-bonded Turntrans-96.5-43.4-178.8-63.8-177.9-11.900111.2D205D205-Q207 VanDerWaalsContact C-N 3.27Å; D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.5Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.45Å; D205-Q207 PolarHBondContact OD1-N 2.96Å
208T90.7Very high92.9Very high15 Ų1566.7 Ų66.79%0.09231%0.308CS..THydrogen-bonded Turntrans-95.7-13.6-174.770.90000113.5S91 F93 D205 R210S91-T208 WeakPolarHBondContact CB-O 3.44Å; S91-T208 WeakPolarHBondContact OG-CA 3.2Å; S91-T208 WeakPolarHBondContact OG-CB 3.37Å; S91-T208 PolarHBondContact OG-O 2.82Å; F93-T208 HydrophobicContact CB-CG2 4.02Å; F93-T208 HydrophobicContact CD2-CG2 4.43Å; D205-T208 WeakPolarHBondContact CB-OG1 3.19Å; D205-T208 PolarHBondContact OD1-N 3.34Å; D205-T208 PolarHBondContact OD2-OG1 2.82Å; D205-T208 VanDerWaalsContact OD2-OG1 3.06Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-R210 VanDerWaalsContact O-N 3.1Å; T208-R210 PolarHBondContact OG1-N 3.46Å
209F93.1Very high93.7Very high75 Ų7563.8 Ų63.833%0.32930%0.298SS..  trans56.914.5-172.3-56.1-75.4000114P89 V169 D205 H211P89-F209 HydrophobicContact CB-CD2 4.43Å; P89-F209 HydrophobicContact CB-CE2 4.39Å; P89-F209 HydrophobicContact CG-CD2 4.01Å; P89-F209 HydrophobicContact CG-CE2 4.17Å; P89-F209 HydrophobicContact CG-CG 4.45Å; V169-F209 VanDerWaalsContact CG1-O 3.28Å; V169-F209 WeakPolarHBondContact CG1-O 3.46Å; V169-F209 HydrophobicContact CG2-CB 4.17Å; D205-F209 WeakPolarHBondContact O-CA 3.1Å; D205-F209 PolarHBondContact O-N 3.22Å; F209-H211 PolarHBondContact O-CD2 2.85Å
210R94.9Very high94.2Very high6 Ų657.6 Ų57.62%0.02328%0.279CS..  trans-79.3136.3-177.7-66.4-172.9-179.2-77.82.6110.1F93 M157 M166 E168 V169 D205 T208F93-R210 PolarHBondContact O-NE 3.06Å; F93-R210 PolarHBondContact O-NH2 3.28Å; M157-R210 HydrophobicContact CE-CB 4.04Å; M157-R210 HydrophobicContact SD-CB 4.05Å; M166-R210 PolarHBondContact O-NH2 3.36Å; E168-R210 PolarHBondContact O-NH1 2.93Å; V169-R210 HydrophobicContact CG2-CG 4.39Å; D205-R210 PolarHBondContact N-O 3.11Å; D205-R210 VanDerWaalsContact N-O 3.1Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-R210 VanDerWaalsContact O-N 3.1Å; T208-R210 PolarHBondContact OG1-N 3.46Å
211H96.1Very high94.2Very high17 Ų1764.5 Ų64.58%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-86.6133.1175.7-55.7169000109.1R171 Q189 E204 F209R171-H211 PolarHBondContact NE-CE1 2.91Å; R171-H211 PolarHBondContact NE-NE2 3.38Å; Q189-H211 PolarHBondContact O-CE1 3.15Å; Q189-H211 PolarHBondContact O-ND1 3.08Å; E204-H211 IonicContact OE1-NE2 2.9Å; F209-H211 PolarHBondContact O-CD2 2.85Å
212S97Very high94.1Very high7 Ų765.4 Ų65.45%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-138.9159171.562.80000110.7R155 A156 H190 L203R155-S212 PolarHBondContact NH1-OG 2.97Å; A156-S212 WeakPolarHBondContact O-CA 3.48Å; H190-S212 PolarHBondContact CE1-O 3.1Å; H190-S212 VanDerWaalsContact CE1-O 3.27Å; H190-S212 PolarHBondContact ND1-O 3.27Å; L203-S212 PolarHBondContact N-O 2.88Å; L203-S212 PolarHBondContact O-N 2.91Å
213V96.9Very high94Very high3 Ų368 Ų682%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-123137.2169.559.70000108.2R155 A156 I192 V194 P200 E201 Y202 Y231R155-V213 CarbonylContact C-O 3.48Å; R155-V213 VanDerWaalsContact CA-O 3.29Å; R155-V213 WeakPolarHBondContact CA-O 3.4Å; A156-V213 HydrophobicContact CB-CG1 3.94Å; A156-V213 PolarHBondContact N-O 3.37Å; A156-V213 PolarHBondContact O-N 2.87Å; A156-V213 VanDerWaalsContact O-N 3.07Å; I192-V213 HydrophobicContact CB-CG1 4.43Å; I192-V213 HydrophobicContact CG2-CG1 3.93Å; V194-V213 HydrophobicContact CB-CG2 4.44Å; V194-V213 HydrophobicContact CG2-CB 4.46Å; V194-V213 HydrophobicContact CG2-CG1 3.88Å; V194-V213 HydrophobicContact CG2-CG2 3.71Å; P200-V213 HydrophobicContact CB-CG2 4.14Å; E201-V213 CarbonylContact O-C 3.57Å; E201-V213 WeakPolarHBondContact O-CA 3.31Å; Y202-V213 HydrophobicContact CD1-CB 3.83Å; Y202-V213 HydrophobicContact CD1-CG2 3.77Å; Y202-V213 HydrophobicContact CE1-CB 3.82Å; Y202-V213 HydrophobicContact CE1-CG2 3.53Å; Y202-V213 HydrophobicContact CE2-CG2 4.43Å; Y202-V213 HydrophobicContact CG-CG2 4.33Å; V213-Y231 HydrophobicContact CG1-CE1 4.47Å
214V96.8Very high94Very high0 Ų067 Ų670%037%0.368CS..EExtended strand (participates in β ladder)trans-125.3135.4-178.4-170.50000109.3R153 V154 R155 E201 L203R153-V214 HydrophobicContact CB-CG1 3.69Å; R153-V214 HydrophobicContact CG-CG1 4.41Å; R153-V214 VanDerWaalsContact NH2-CG1 3.31Å; V154-V214 WeakPolarHBondContact O-CA 3.31Å; R155-V214 HydrophobicContact CB-CG2 3.93Å; R155-V214 HydrophobicContact CG-CG2 3.88Å; E201-V214 HydrophobicContact CB-CB 4.47Å; E201-V214 PolarHBondContact N-O 3.23Å; E201-V214 PolarHBondContact O-N 2.79Å; L203-V214 HydrophobicContact CD1-CB 4.07Å; L203-V214 HydrophobicContact CD1-CG2 3.4Å
215V96.4Very high94Very high2 Ų269.3 Ų69.31%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-125.3150.3171.1-67.20000110.2R153 V154 V194 N197 P200 I229R153-V215 CarbonylContact C-O 3.58Å; R153-V215 WeakPolarHBondContact CA-O 3.2Å; V154-V215 HydrophobicContact CB-CG2 4.17Å; V154-V215 PolarHBondContact N-O 3.34Å; V154-V215 PolarHBondContact O-N 3.13Å; V194-V215 HydrophobicContact CB-CG1 4.23Å; V194-V215 HydrophobicContact CG1-CG1 3.99Å; V194-V215 HydrophobicContact CG2-CG1 4.06Å; N197-V215 HydrophobicContact CB-CG1 4.17Å; P200-V215 HydrophobicContact CB-CG1 4.17Å; V215-I229 HydrophobicContact CG2-CD1 3.64Å
216P96Very high94.1Very high56 Ų5669.7 Ų69.736%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-55.6140.1168-23.534.6000110.8E218P216-E218 PolarHBondContact O-N 2.92Å
217Y95.2Very high94.3Very high27 Ų2759.3 Ų59.311%0.10634%0.339CS..  trans-72.7126.2170.4170.9-94.9000109.3V144 P148 S152 V154 P219 L254V144-Y217 VanDerWaalsContact CG2-OH 3.24Å; V144-Y217 WeakPolarHBondContact CG2-OH 3.43Å; P148-Y217 HydrophobicContact CB-CD1 4.48Å; P148-Y217 HydrophobicContact CG-CD1 4.22Å; P148-Y217 HydrophobicContact CG-CE1 3.93Å; P148-Y217 HydrophobicContact CG-CE2 4.38Å; S152-Y217 WeakPolarHBondContact O-CB 3.48Å; S152-Y217 PolarHBondContact O-N 3.3Å; V154-Y217 HydrophobicContact CG2-CD2 4.1Å; Y217-P219 HydrophobicContact CE1-CG 4.25Å; Y217-L254 HydrophobicContact CD2-CD1 4.07Å; Y217-L254 HydrophobicContact CG-CD1 4.34Å
218E93.7Very high94.7Very high113 Ų11354.1 Ų54.153%0.52832%0.318SS..  trans-109.7130.6173.8-67.9179.2176.600109P216 T227P216-E218 PolarHBondContact O-N 2.92Å; E218-T227 HydrophobicContact CB-CG2 4.43Å; E218-T227 WeakPolarHBondContact O-CB 3.44Å; E218-T227 VanDerWaalsContact O-CG2 3.24Å; E218-T227 WeakPolarHBondContact O-CG2 3.37Å; E218-T227 PolarHBondContact O-OG1 3.18Å
219P93.7Very high95Very high80 Ų8054.2 Ų54.252%0.51932%0.318SS..PPolyproline II helixtrans-59.7154.4173.4-22.933.7000112.1Y217Y217-P219 HydrophobicContact CE1-CG 4.25Å
220P94.6Very high95.1Very high39 Ų3954.1 Ų54.125%0.25332%0.318SS..PPolyproline II helixtrans-54.8143174.1-26.234.8000112.1S224 T227P220-S224 WeakPolarHBondContact CB-O 3.3Å; P220-T227 WeakPolarHBondContact CD-OG1 3.23Å
221E93.3Very high95.2Very high166 Ų16653.9 Ų53.978%0.77632%0.318SS*.PPolyproline II helixtrans-60.2153.2172.4-65.5-179.6-177.100110.9G223 S224E221-G223 PolarHBondContact O-N 2.89Å; E221-G223 VanDerWaalsContact O-N 3.09Å; E221-S224 WeakPolarHBondContact O-CB 3.34Å; E221-S224 PolarHBondContact O-N 3.06Å
222A93.1Very high95.2Very high114 Ų11455 Ų5594%0.94232%0.322SS*.THydrogen-bonded Turntrans-57.1118.6-179.900000111.3
223G93.1Very high95.2Very high90 Ų9054.6 Ų54.693%0.92832%0.32SS*.THydrogen-bonded Turntrans95.2-4.9-17600000114.9E221E221-G223 PolarHBondContact O-N 2.89Å; E221-G223 VanDerWaalsContact O-N 3.09Å
224S93.5Very high95.2Very high41 Ų4155 Ų5529%0.28732%0.322SS..  trans-99.7148.1168-173.20000110.7P220 E221 Y226P220-S224 WeakPolarHBondContact CB-O 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.34Å; E221-S224 PolarHBondContact O-N 3.06Å; S224-Y226 PolarHBondContact OG-N 3.4Å; S224-Y226 PolarHBondContact OG-O 3.32Å
225E93.9Very high95.2Very high146 Ų14655 Ų5568%0.68232%0.322SS*.SBendtrans-96.6-6.7174.3-62.3-176.8167.500112.5W143W143-E225 HydrophobicContact CE3-CB 4.34Å; W143-E225 HydrophobicContact CH2-CB 4.21Å; W143-E225 HydrophobicContact CZ3-CB 3.63Å
226Y95.4Very high95.3Very high72 Ų7256.8 Ų56.828%0.28233%0.331SS..EExtended strand (participates in β ladder)trans-140.9157.3-174.158.1-94.2000112.4Q141 L142 W143 S224Q141-Y226 HydrophobicContact CB-CD2 3.85Å; Q141-Y226 HydrophobicContact CB-CE2 4.47Å; Q141-Y226 HydrophobicContact CB-CG 4.2Å; Q141-Y226 HydrophobicContact CG-CD2 3.63Å; Q141-Y226 HydrophobicContact CG-CE2 3.76Å; Q141-Y226 HydrophobicContact CG-CG 4.34Å; Q141-Y226 VanDerWaalsContact NE2-CZ 3.28Å; Q141-Y226 PolarHBondContact NE2-OH 3.15Å; L142-Y226 WeakPolarHBondContact O-CA 3.33Å; L142-Y226 WeakPolarHBondContact O-CB 3.42Å; W143-Y226 AromaticContact CE2-CD1 3.84Å; W143-Y226 AromaticContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CD1 3.55Å; W143-Y226 HydrophobicContact CH2-CE1 4.22Å; W143-Y226 HydrophobicContact CH2-CG 4.47Å; W143-Y226 AromaticContact CZ2-CD1 3.31Å; W143-Y226 HydrophobicContact CZ2-CD1 3.31Å; W143-Y226 AromaticContact CZ2-CE1 3.98Å; W143-Y226 HydrophobicContact CZ2-CE1 3.98Å; W143-Y226 AromaticContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ2-CG 3.97Å; W143-Y226 HydrophobicContact CZ3-CD1 4.24Å; S224-Y226 PolarHBondContact OG-N 3.4Å; S224-Y226 PolarHBondContact OG-O 3.32Å
227T95.5Very high95.3Very high17 Ų1754.6 Ų54.610%0.10432%0.317CS..EExtended strand (participates in β ladder)trans-103.7138.4172.6-55.90000109.3Q141 L142 E218 P220Q141-T227 CarbonylContact C-O 3.53Å; Q141-T227 WeakPolarHBondContact CA-O 3.38Å; L142-T227 PolarHBondContact N-O 3.08Å; L142-T227 PolarHBondContact O-N 3.36Å; L142-T227 VanDerWaalsContact O-N 3.09Å; E218-T227 HydrophobicContact CB-CG2 4.43Å; E218-T227 WeakPolarHBondContact O-CB 3.44Å; E218-T227 VanDerWaalsContact O-CG2 3.24Å; E218-T227 WeakPolarHBondContact O-CG2 3.37Å; E218-T227 PolarHBondContact O-OG1 3.18Å; P220-T227 WeakPolarHBondContact CD-OG1 3.23Å
228T95.8Very high95.4Very high51 Ų5156.4 Ų56.431%0.31333%0.333SS..EExtended strand (participates in β ladder)trans-107.5126.2179.5-57.70000111.2P139 V140P139-T228 HydrophobicContact CB-CG2 3.74Å; V140-T228 WeakPolarHBondContact O-CA 3.34Å
229I96.4Very high95.6Very high16 Ų1651.8 Ų51.88%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-105.8131.7168.9-59.2179.1000109.2V140 L142 V154 V194 V215 Y231V140-I229 PolarHBondContact N-O 2.81Å; V140-I229 PolarHBondContact O-N 3.29Å; L142-I229 HydrophobicContact CD1-CD1 3.56Å; L142-I229 HydrophobicContact CD1-CG1 4.03Å; L142-I229 HydrophobicContact CG-CD1 4.31Å; L142-I229 HydrophobicContact CG-CG1 4.46Å; V154-I229 HydrophobicContact CB-CD1 3.89Å; V154-I229 HydrophobicContact CG1-CD1 3.71Å; V154-I229 HydrophobicContact CG2-CD1 4.25Å; V194-I229 HydrophobicContact CG1-CG2 3.93Å; V194-I229 HydrophobicContact CG2-CG2 4.37Å; V215-I229 HydrophobicContact CG2-CD1 3.64Å; I229-Y231 HydrophobicContact CB-CE2 3.9Å; I229-Y231 HydrophobicContact CG2-CD1 4.29Å; I229-Y231 HydrophobicContact CG2-CD2 4.15Å; I229-Y231 HydrophobicContact CG2-CE1 3.79Å; I229-Y231 HydrophobicContact CG2-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CG 4.47Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.44Å
230H96.1Very high95.7Very high73 Ų7355.7 Ų55.734%0.33833%0.327SS..EExtended strand (participates in β ladder)trans-95.9107.9179.2-63.2110.1000110.6T137 V194 E195T137-H230 HydrophobicContact CG2-CB 3.77Å; V194-H230 WeakPolarHBondContact CA-O 3.33Å; E195-H230 HydrophobicContact CB-CB 4.18Å; E195-H230 PolarHBondContact N-O 3.34Å
231Y97.1Very high95.6Very high2 Ų256.7 Ų56.71%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-96.1152.7176.3-64.3-74.1000112C138 V140 A156 I192 R193 V194 V213 I229 I252C138-Y231 WeakPolarHBondContact CB-O 3.28Å; C138-Y231 PolarHBondContact N-O 2.89Å; C138-Y231 PolarHBondContact O-N 3.35Å; V140-Y231 HydrophobicContact CB-CD2 4Å; V140-Y231 HydrophobicContact CB-CE2 3.92Å; V140-Y231 HydrophobicContact CG1-CE2 4.48Å; V140-Y231 HydrophobicContact CG2-CD2 3.63Å; V140-Y231 HydrophobicContact CG2-CE2 3.99Å; A156-Y231 HydrophobicContact CB-CD1 4.3Å; A156-Y231 HydrophobicContact CB-CE1 3.51Å; I192-Y231 HydrophobicContact CG2-CD1 3.65Å; I192-Y231 HydrophobicContact CG2-CE1 4.31Å; I192-Y231 HydrophobicContact CG2-CG 4.39Å; R193-Y231 CarbonylContact O-C 3.51Å; R193-Y231 VanDerWaalsContact O-CA 3.29Å; R193-Y231 WeakPolarHBondContact O-CA 3.38Å; V194-Y231 HydrophobicContact CG2-CD1 3.81Å; V194-Y231 HydrophobicContact CG2-CE1 3.68Å; V213-Y231 HydrophobicContact CG1-CE1 4.47Å; I229-Y231 HydrophobicContact CB-CE2 3.9Å; I229-Y231 HydrophobicContact CG2-CD1 4.29Å; I229-Y231 HydrophobicContact CG2-CD2 4.15Å; I229-Y231 HydrophobicContact CG2-CE1 3.79Å; I229-Y231 HydrophobicContact CG2-CE2 3.65Å; I229-Y231 HydrophobicContact CG2-CG 4.47Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.44Å; Y231-I252 HydrophobicContact CE2-CD1 4.14Å
232K96.4Very high95.6Very high39 Ų3949 Ų4917%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-126.8139.1167.3-71.1-177.6178.7166.70109.9I192 R193 E195 M234I192-K232 WeakPolarHBondContact CA-O 3.33Å; R193-K232 HydrophobicContact CB-CB 4.37Å; R193-K232 PolarHBondContact N-O 3.33Å; R193-K232 PolarHBondContact O-N 3.42Å; E195-K232 HydrophobicContact CB-CD 4.45Å; E195-K232 WeakPolarHBondContact OE1-CE 3.43Å; E195-K232 IonicContact OE1-NZ 3.21Å; E195-K232 PolarHBondContact OE1-NZ 3.5Å; E195-K232 WeakPolarHBondContact OE2-CE 3.44Å; E195-K232 IonicContact OE2-NZ 3.95Å; K232-M234 HydrophobicContact CB-SD 3.76Å
233Y97.3Very high95.8Very high0 Ų043.6 Ų43.60%027%0.265CS..EExtended strand (participates in β ladder)trans-108.1118.2175.1-64.1-94.6000110.1L130 A135 C138 L191 I192 C235 T250 V269 V271L130-Y233 HydrophobicContact CD2-CE2 4.36Å; A135-Y233 PolarHBondContact N-O 3.1Å; C138-Y233 HydrophobicContact CB-CE2 4.36Å; L191-Y233 HydrophobicContact CD2-CD1 4.5Å; L191-Y233 HydrophobicContact CG-CD1 4.35Å; L191-Y233 WeakPolarHBondContact O-CA 3.4Å; I192-Y233 HydrophobicContact CD1-CE1 4.11Å; I192-Y233 HydrophobicContact CG1-CD1 4.06Å; I192-Y233 HydrophobicContact CG1-CE1 3.73Å; Y233-C235 PolarHBondContact O-N 3.28Å; Y233-T250 PolarHBondContact OH-OG1 3.46Å; Y233-V269 HydrophobicContact CD1-CG1 4.06Å; Y233-V269 HydrophobicContact CD2-CG1 4.16Å; Y233-V269 HydrophobicContact CE1-CB 4.23Å; Y233-V269 HydrophobicContact CE1-CG1 3.84Å; Y233-V269 HydrophobicContact CE1-CG2 4.09Å; Y233-V269 HydrophobicContact CE2-CG1 3.97Å; Y233-V269 HydrophobicContact CE2-CG2 4.47Å; Y233-V269 HydrophobicContact CG-CG1 4.22Å; Y233-V271 VanDerWaalsContact CB-CG2 3.46Å; Y233-V271 HydrophobicContact CD1-CG2 4.37Å; Y233-V271 HydrophobicContact CG-CG2 3.97Å
234M96.1Very high96Very high12 Ų1243.3 Ų43.36%0.05924%0.242CC..  trans-95.614.9-164.2-51.7-50.9-65.900114.1A135 R172 D181 L191 R193 K232A135-M234 HydrophobicContact CB-CE 3.74Å; A135-M234 HydrophobicContact CB-SD 3.98Å; R172-M234 PolarHBondContact NE-O 3.13Å; R172-M234 PolarHBondContact NH2-O 3.17Å; R172-M234 VanDerWaalsContact NH2-O 3.1Å; D181-M234 HydrophobicContact CB-CE 4.35Å; L191-M234 WeakPolarHBondContact O-CG 3.27Å; L191-M234 PolarHBondContact O-N 3.1Å; R193-M234 HydrophobicContact CB-CG 4.41Å; R193-M234 HydrophobicContact CB-SD 4.5Å; R193-M234 HydrophobicContact CG-CG 3.74Å; R193-M234 HydrophobicContact CG-SD 4.3Å; K232-M234 HydrophobicContact CB-SD 3.76Å
235C96.7Very high96.1Very high0 Ų051.1 Ų51.10%027%0.265CS..SBendtrans-151.7140.3176.2-160.60000110.3L134 R172 H176 L191 Y233 C239 M243 V271L134-C235 VanDerWaalsContact CD1-CA 3.44Å; L134-C235 VanDerWaalsContact CD1-N 3.26Å; R172-C235 HydrophobicContact CB-CB 4.34Å; R172-C235 HydrophobicContact CG-CB 4.16Å; H176-C235 PolarHBondContact ND1-SG 3.12Å; H176-C235 VanDerWaalsContact ND1-SG 3.45Å; L191-C235 HydrophobicContact CD1-CB 3.55Å; Y233-C235 PolarHBondContact O-N 3.28Å; C235-C239 WeakPolarHBondContact SG-CB 3.31Å; C235-C239 PolarHBondContact SG-SG 3.14Å; C235-M243 HydrophobicContact CB-CE 4.15Å; C235-M243 WeakPolarHBondContact O-CE 3.24Å; C235-V271 WeakPolarHBondContact O-CB 3.46Å; C235-V271 WeakPolarHBondContact O-CG1 3.4Å
236N97.6Very high96.2Very high38 Ų3846 Ų4620%0.20324%0.24CC..  trans-68.2145.7173.6-69.7-53000110.1S238 C239 M243N236-S238 PolarHBondContact O-N 3.49Å; N236-S238 VanDerWaalsContact O-N 3.11Å; N236-C239 WeakPolarHBondContact O-CB 3.38Å; N236-C239 PolarHBondContact O-N 2.88Å; N236-M243 WeakPolarHBondContact O-CE 3.48Å
237S97.7Very high96.3Very high10 Ų1044.3 Ų44.37%0.0724%0.238CC..THydrogen-bonded Turntrans-60.3-24.1175.8-62.70000112R245 V271S237-R245 VanDerWaalsContact O-CA 3.24Å; S237-R245 WeakPolarHBondContact O-CA 3.34Å; S237-R245 PolarHBondContact O-N 3.35Å; S237-V271 PolarHBondContact N-O 2.86Å; S237-V271 PolarHBondContact OG-N 2.9Å
238S97.1Very high96.5Very high65 Ų6543.5 Ų43.546%0.45523%0.233SC..THydrogen-bonded Turntrans-85-6.117856.80000115.4N236 M240N236-S238 PolarHBondContact O-N 3.49Å; N236-S238 VanDerWaalsContact O-N 3.11Å; S238-M240 PolarHBondContact O-N 3.39Å
239C96.9Very high96.6Very high17 Ų1741.9 Ų41.912%0.11522%0.222CC..  trans-61.8124-174.7-75.80000112.3C173 H176 C235 N236 G242 N244C173-C239 HydrophobicContact CB-CB 4Å; H176-C239 PolarHBondContact CE1-SG 3.22Å; C235-C239 WeakPolarHBondContact SG-CB 3.31Å; C235-C239 PolarHBondContact SG-SG 3.14Å; N236-C239 WeakPolarHBondContact O-CB 3.38Å; N236-C239 PolarHBondContact O-N 2.88Å; C239-G242 PolarHBondContact O-N 2.78Å; C239-N244 WeakPolarHBondContact O-CA 3.42Å; C239-N244 PolarHBondContact O-N 3.46Å
240M95.9Very high96.6Very high161 Ų16141.1 Ų41.179%0.79322%0.218SC*.THydrogen-bonded Turntrans-65.4141173.4-64.8176.466.700110.4C173 S238 G242C173-M240 WeakPolarHBondContact CB-O 3.28Å; S238-M240 PolarHBondContact O-N 3.39Å; M240-G242 PolarHBondContact O-N 2.86Å
241G92.8Very high96.7Very high60 Ų6037.9 Ų37.962%0.61920%0.203SC*.THydrogen-bonded Turntrans76.1-4.7-175.900000115.5
242G93.8Very high96.8Very high5 Ų537.8 Ų37.85%0.05220%0.203CC..THydrogen-bonded Turntrans-117.2-117.3171.500000110.7Y160 C239 M240 N244 R246Y160-G242 PolarHBondContact OH-O 3.4Å; C239-G242 PolarHBondContact O-N 2.78Å; M240-G242 PolarHBondContact O-N 2.86Å; G242-N244 VanDerWaalsContact C-N 3.31Å; G242-N244 PolarHBondContact O-N 2.83Å; G242-R246 PolarHBondContact O-NH2 2.84Å
243M96.4Very high96.9Very high0 Ų036.7 Ų36.70%020%0.199CC..THydrogen-bonded Turntrans-63.1-32.3177.4-72.9-174.9-83.700113.9Y160 V170 L191 C235 N236 R245 R246 I248Y160-M243 HydrophobicContact CE1-CB 4.33Å; Y160-M243 HydrophobicContact CE1-CG 4.19Å; V170-M243 HydrophobicContact CG1-CG 4.28Å; L191-M243 HydrophobicContact CD1-CE 3.9Å; L191-M243 HydrophobicContact CD2-CE 4.06Å; L191-M243 HydrophobicContact CD2-SD 3.99Å; C235-M243 HydrophobicContact CB-CE 4.15Å; C235-M243 WeakPolarHBondContact O-CE 3.24Å; N236-M243 WeakPolarHBondContact O-CE 3.48Å; M243-R245 PolarHBondContact O-N 3.46Å; M243-R246 WeakPolarHBondContact O-CB 3.42Å; M243-R246 WeakPolarHBondContact O-CG 3.39Å; M243-R246 PolarHBondContact O-N 2.79Å; M243-R246 PolarHBondContact O-NE 2.96Å; M243-I248 HydrophobicContact CG-CG2 4.09Å; M243-I248 HydrophobicContact SD-CD1 3.7Å; M243-I248 HydrophobicContact SD-CG1 4.02Å; M243-I248 HydrophobicContact SD-CG2 3.71Å
244N96.9Very high96.9Very high84 Ų8436.7 Ų36.745%0.44920%0.199SC..THydrogen-bonded Turntrans4852.7174.4-166.829.6000114.6C239 G242 R246C239-N244 WeakPolarHBondContact O-CA 3.42Å; C239-N244 PolarHBondContact O-N 3.46Å; G242-N244 VanDerWaalsContact C-N 3.31Å; G242-N244 PolarHBondContact O-N 2.83Å; N244-R246 PolarHBondContact O-N 3.1Å; N244-R246 VanDerWaalsContact O-N 3.1Å
245R96.1Very high97Very high205 Ų20536.8 Ų36.877%0.77420%0.199SC*.THydrogen-bonded Turntrans61.712.3-179-52.8178.7-177.2-173.10.7114.9S237 M243S237-R245 VanDerWaalsContact O-CA 3.24Å; S237-R245 WeakPolarHBondContact O-CA 3.34Å; S237-R245 PolarHBondContact O-N 3.35Å; M243-R245 PolarHBondContact O-N 3.46Å
246R97Very high97Very high39 Ų3938.4 Ų38.415%0.14721%0.208CC..  trans-82.3124.6173.4-60173.5-72.3179.4-1.3109.2Y160 H165 E168 G242 M243 N244Y160-R246 HydrophobicContact CD1-CB 3.62Å; Y160-R246 HydrophobicContact CE1-CB 3.76Å; Y160-R246 PolarHBondContact OH-NH2 2.72Å; Y160-R246 VanDerWaalsContact OH-NH2 3.08Å; H165-R246 WeakPolarHBondContact CD2-CD 3.42Å; H165-R246 WeakPolarHBondContact NE2-CD 3.12Å; E168-R246 VanDerWaalsContact CD-NH1 3.25Å; E168-R246 IonicContact OE1-NH1 3.34Å; E168-R246 PolarHBondContact OE1-NH1 3.17Å; E168-R246 IonicContact OE2-CZ 2.76Å; E168-R246 IonicContact OE2-NH1 3.8Å; E168-R246 PolarHBondContact OE2-NH1 3.26Å; E168-R246 IonicContact OE2-NH2 3.9Å; G242-R246 PolarHBondContact O-NH2 2.84Å; M243-R246 WeakPolarHBondContact O-CB 3.42Å; M243-R246 WeakPolarHBondContact O-CG 3.39Å; M243-R246 PolarHBondContact O-N 2.79Å; M243-R246 PolarHBondContact O-NE 2.96Å; N244-R246 PolarHBondContact O-N 3.1Å; N244-R246 VanDerWaalsContact O-N 3.1Å
247P97.5Very high96.9Very high37 Ų3740.6 Ų40.624%0.2423%0.226CC..  trans-63.4143.3177.7-19.530.5000111.7K161K161-P247 HydrophobicContact CB-CB 4.24Å; K161-P247 PolarHBondContact N-O 3.04Å
248I98Very high96.7Very high0 Ų044.5 Ų44.50%025%0.254CS..EExtended strand (participates in β ladder)trans-118150.5178.759.8161.6000111.4I159 Y160 V170 L191 M243 E268 V269I159-I248 CarbonylContact O-C 3.43Å; I159-I248 WeakPolarHBondContact O-CA 3.39Å; I159-I248 WeakPolarHBondContact O-CB 3.29Å; Y160-I248 HydrophobicContact CD1-CG2 3.7Å; Y160-I248 HydrophobicContact CE1-CG2 3.87Å; V170-I248 HydrophobicContact CG1-CG2 4.2Å; V170-I248 HydrophobicContact CG2-CG2 4.15Å; L191-I248 HydrophobicContact CD2-CD1 3.78Å; M243-I248 HydrophobicContact CG-CG2 4.09Å; M243-I248 HydrophobicContact SD-CD1 3.7Å; M243-I248 HydrophobicContact SD-CG1 4.02Å; M243-I248 HydrophobicContact SD-CG2 3.71Å; I248-E268 WeakPolarHBondContact O-CG 3.33Å; I248-V269 HydrophobicContact CD1-CB 4.16Å; I248-V269 HydrophobicContact CG1-CB 4.19Å; I248-V269 WeakPolarHBondContact CG1-O 3.41Å; I248-V269 PolarHBondContact O-N 3.24Å
249L97.9Very high96.5Very high16 Ų1643.3 Ų43.38%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-109.7132.4169.1-169.578.8000108.4Q97 A158 I159 I251 F267Q97-L249 HydrophobicContact CB-CD2 3.54Å; Q97-L249 HydrophobicContact CG-CD2 4.42Å; A158-L249 WeakPolarHBondContact CA-O 3.35Å; I159-L249 HydrophobicContact CD1-CD2 4.34Å; I159-L249 HydrophobicContact CG1-CB 3.97Å; I159-L249 PolarHBondContact N-O 3.33Å; I159-L249 PolarHBondContact O-N 2.77Å; L249-I251 HydrophobicContact CD2-CG1 4.19Å; L249-F267 VanDerWaalsContact CD1-C 3.45Å; L249-F267 WeakPolarHBondContact CD1-O 3.19Å
250T98.2Very high96.5Very high0 Ų047 Ų470%027%0.27CS..EExtended strand (participates in β ladder)trans-95.4119.3168.8-62.40000108.2I192 Y233 I252 S266 F267 V269I192-T250 HydrophobicContact CD1-CG2 3.92Å; Y233-T250 PolarHBondContact OH-OG1 3.46Å; T250-I252 HydrophobicContact CG2-CD1 3.73Å; T250-I252 HydrophobicContact CG2-CG1 4.49Å; T250-S266 VanDerWaalsContact O-CA 3.23Å; T250-S266 WeakPolarHBondContact O-CA 3.13Å; T250-S266 WeakPolarHBondContact O-CB 3.33Å; T250-F267 HydrophobicContact CG2-CE1 4.04Å; T250-F267 HydrophobicContact CG2-CZ 3.89Å; T250-F267 PolarHBondContact N-O 2.87Å; T250-F267 PolarHBondContact O-N 3.35Å; T250-F267 VanDerWaalsContact O-N 3.08Å; T250-V269 VanDerWaalsContact OG1-CG2 3.29Å; T250-V269 WeakPolarHBondContact OG1-CG2 3.32Å
251I98.1Very high96.5Very high6 Ų642.6 Ų42.63%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-96.6126.5174.9-58.2173.1000107.6P95 Q97 A156 M157 I159 L249 T253 R264P95-I251 HydrophobicContact CB-CD1 4.29Å; P95-I251 HydrophobicContact CG-CD1 4.03Å; Q97-I251 HydrophobicContact CB-CD1 4.36Å; A156-I251 WeakPolarHBondContact CA-O 3.41Å; M157-I251 PolarHBondContact N-O 2.88Å; M157-I251 PolarHBondContact O-N 2.94Å; I159-I251 HydrophobicContact CD1-CD1 3.73Å; I159-I251 HydrophobicContact CG1-CD1 4.03Å; I159-I251 HydrophobicContact CG1-CG1 4.49Å; I159-I251 HydrophobicContact CG2-CD1 4.36Å; L249-I251 HydrophobicContact CD2-CG1 4.19Å; I251-T253 HydrophobicContact CG2-CG2 4.11Å; I251-R264 HydrophobicContact CG2-CG 3.81Å
252I98.3Very high96.7Very high0 Ų041.1 Ų41.10%023%0.227CC..EExtended strand (participates in β ladder)trans-109.3123.6171.8-49.9-60.1000108.3F106 L108 L142 V154 R155 A156 Y231 T250 R264 D265 F267F106-I252 HydrophobicContact CE1-CG2 4.41Å; F106-I252 HydrophobicContact CZ-CB 4.49Å; F106-I252 HydrophobicContact CZ-CG2 3.82Å; L108-I252 HydrophobicContact CD1-CB 4.09Å; L108-I252 HydrophobicContact CD1-CG1 3.76Å; L108-I252 HydrophobicContact CD2-CB 4.14Å; L108-I252 HydrophobicContact CD2-CG1 4.22Å; L108-I252 HydrophobicContact CD2-CG2 4.19Å; L142-I252 HydrophobicContact CD2-CG2 4.34Å; V154-I252 HydrophobicContact CG1-CG2 3.58Å; R155-I252 CarbonylContact O-C 3.54Å; R155-I252 VanDerWaalsContact O-CA 3.3Å; R155-I252 WeakPolarHBondContact O-CA 3.35Å; A156-I252 HydrophobicContact CB-CD1 3.58Å; Y231-I252 HydrophobicContact CE2-CD1 4.14Å; T250-I252 HydrophobicContact CG2-CD1 3.73Å; T250-I252 HydrophobicContact CG2-CG1 4.49Å; I252-R264 WeakPolarHBondContact O-CA 3.38Å; I252-D265 PolarHBondContact N-O 2.9Å; I252-D265 PolarHBondContact O-N 3.19Å; I252-D265 VanDerWaalsContact O-O 3.11Å; I252-F267 HydrophobicContact CD1-CE1 4.21Å; I252-F267 HydrophobicContact CG1-CE1 3.85Å
253T98.2Very high96.9Very high15 Ų1540.9 Ų40.99%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-115.1134.9175.545.30000110.5V154 R155 I251 E255 L261 G263 R264V154-T253 WeakPolarHBondContact CA-O 3.23Å; R155-T253 WeakPolarHBondContact CB-OG1 3.44Å; R155-T253 PolarHBondContact N-O 2.89Å; R155-T253 PolarHBondContact O-N 3.47Å; I251-T253 HydrophobicContact CG2-CG2 4.11Å; T253-E255 PolarHBondContact OG1-OE1 2.92Å; T253-L261 HydrophobicContact CG2-CD1 3.61Å; T253-G263 CarbonylContact C-O 3.59Å; T253-G263 WeakPolarHBondContact CA-O 3.42Å; T253-R264 HydrophobicContact CG2-CB 4.07Å; T253-R264 HydrophobicContact CG2-CG 3.77Å
254L98Very high97Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-91.5123.2163.6-178.368.7000107.2F106 V144 P148 V154 Y217 L262 G263F106-L254 HydrophobicContact CB-CD2 4.33Å; F106-L254 HydrophobicContact CD1-CB 4.3Å; F106-L254 HydrophobicContact CD2-CB 3.93Å; F106-L254 HydrophobicContact CD2-CD2 4.04Å; F106-L254 HydrophobicContact CD2-CG 4.49Å; F106-L254 HydrophobicContact CE1-CB 4.43Å; F106-L254 HydrophobicContact CE2-CB 4.07Å; F106-L254 HydrophobicContact CG-CB 4.04Å; F106-L254 HydrophobicContact CG-CD2 4.32Å; F106-L254 HydrophobicContact CZ-CB 4.33Å; V144-L254 HydrophobicContact CG1-CD2 4.5Å; P148-L254 HydrophobicContact CB-CD2 4.34Å; P148-L254 HydrophobicContact CG-CD1 4.4Å; P148-L254 HydrophobicContact CG-CD2 3.8Å; V154-L254 HydrophobicContact CG2-CD1 4.08Å; Y217-L254 HydrophobicContact CD2-CD1 4.07Å; Y217-L254 HydrophobicContact CG-CD1 4.34Å; L254-L262 HydrophobicContact CB-CB 4.48Å; L254-L262 HydrophobicContact CD2-CB 4.16Å; L254-L262 HydrophobicContact CG-CB 4.08Å; L254-L262 HydrophobicContact CG-CD1 4.47Å; L254-L262 WeakPolarHBondContact O-CA 3.4Å; L254-L262 WeakPolarHBondContact O-CB 3.48Å; L254-L262 PolarHBondContact O-N 3.37Å; L254-G263 PolarHBondContact N-O 3.31Å; L254-G263 PolarHBondContact O-N 3.01Å; L254-G263 VanDerWaalsContact O-N 3.09Å
255E97.7Very high97.1Very high14 Ų1439.7 Ų39.77%0.06522%0.216CC..EExtended strand (participates in β ladder)trans-124.3154.1-174-66.7167.9-160.100110.2S152 R153 R155 T253 N260S152-E255 CarbonylContact C-O 3.52Å; S152-E255 VanDerWaalsContact CA-O 3.22Å; S152-E255 WeakPolarHBondContact CA-O 3.13Å; R153-E255 PolarHBondContact N-O 2.88Å; R153-E255 PolarHBondContact O-N 3.27Å; R155-E255 WeakPolarHBondContact CB-OE1 3.15Å; R155-E255 VanDerWaalsContact CD-OE1 3.31Å; R155-E255 WeakPolarHBondContact CD-OE1 3.23Å; R155-E255 IonicContact CZ-OE1 3.42Å; R155-E255 IonicContact CZ-OE2 3.69Å; R155-E255 VanDerWaalsContact NE-CD 3.33Å; R155-E255 IonicContact NE-OE1 2.63Å; R155-E255 PolarHBondContact NE-OE1 2.88Å; R155-E255 IonicContact NE-OE2 3.26Å; R155-E255 PolarHBondContact NE-OE2 2.78Å; R155-E255 IonicContact NH2-OE2 3.55Å; R155-E255 PolarHBondContact NH2-OE2 2.83Å; T253-E255 PolarHBondContact OG1-OE1 2.92Å; E255-N260 CarbonylContact C-O 3.51Å; E255-N260 WeakPolarHBondContact CA-O 3.38Å
256D96.3Very high97.1Very high34 Ų3430.4 Ų30.418%0.18218%0.182CC..  trans-78.6-178.9167.874.44.4000111.5S258 G259 N260 L262D256-S258 PolarHBondContact O-N 2.64Å; D256-S258 VanDerWaalsContact O-N 3.14Å; D256-S258 VanDerWaalsContact OD1-C 3.3Å; D256-S258 VanDerWaalsContact OD1-CA 3.28Å; D256-S258 WeakPolarHBondContact OD1-CA 3.48Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.36Å; D256-G259 PolarHBondContact O-N 3.23Å; D256-G259 VanDerWaalsContact O-N 3.11Å; D256-G259 PolarHBondContact OD1-N 3.31Å; D256-N260 PolarHBondContact N-O 3.08Å; D256-N260 WeakPolarHBondContact OD1-CB 3.43Å; D256-N260 PolarHBondContact OD1-N 2.87Å; D256-N260 PolarHBondContact OD1-ND2 2.97Å; D256-N260 WeakPolarHBondContact OD2-CB 3.27Å; D256-N260 PolarHBondContact OD2-ND2 3.33Å; D256-L262 HydrophobicContact CB-CD1 4.06Å; D256-L262 HydrophobicContact CB-CD2 4.33Å; D256-L262 HydrophobicContact CB-CG 4.26Å
257S95.3Very high97.2Very high84 Ų8428.6 Ų28.659%0.58718%0.175SC*.THydrogen-bonded Turntrans-61.4-20.1177.657.40000113.9G151G151-S257 WeakPolarHBondContact O-CA 3.38Å; G151-S257 PolarHBondContact O-N 3.37Å
258S95Very high97.2Very high93 Ų9327.6 Ų27.665%0.6517%0.168SC*.THydrogen-bonded Turntrans-96.1-2.7-179.2-52.90000112.7D256D256-S258 PolarHBondContact O-N 2.64Å; D256-S258 VanDerWaalsContact O-N 3.14Å; D256-S258 VanDerWaalsContact OD1-C 3.3Å; D256-S258 VanDerWaalsContact OD1-CA 3.28Å; D256-S258 WeakPolarHBondContact OD1-CA 3.48Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.36Å
259G93Very high97.2Very high39 Ų3927.7 Ų27.740%0.40217%0.168SC..  trans83.611.2-175.800000114.6D256D256-G259 PolarHBondContact O-N 3.23Å; D256-G259 VanDerWaalsContact O-N 3.11Å; D256-G259 PolarHBondContact OD1-N 3.31Å
260N95.5Very high97.2Very high95 Ų9531.1 Ų31.151%0.50818%0.18SC..  trans-75.1142.7174.7-57.3-57.9000110.6E255 D256 L262E255-N260 CarbonylContact C-O 3.51Å; E255-N260 WeakPolarHBondContact CA-O 3.38Å; D256-N260 PolarHBondContact N-O 3.08Å; D256-N260 WeakPolarHBondContact OD1-CB 3.43Å; D256-N260 PolarHBondContact OD1-N 2.87Å; D256-N260 PolarHBondContact OD1-ND2 2.97Å; D256-N260 WeakPolarHBondContact OD2-CB 3.27Å; D256-N260 PolarHBondContact OD2-ND2 3.33Å; N260-L262 PolarHBondContact O-N 3.17Å
261L96.9Very high97.2Very high69 Ų6931.2 Ų31.236%0.36118%0.18SC..EExtended strand (participates in β ladder)trans-72.2119.9-176.9-172.271.1000112.1Y100 T253 G263 R264Y100-L261 HydrophobicContact CD1-CD2 3.96Å; Y100-L261 HydrophobicContact CD1-CG 4.32Å; Y100-L261 HydrophobicContact CE1-CD2 4.42Å; T253-L261 HydrophobicContact CG2-CD1 3.61Å; L261-G263 VanDerWaalsContact CD1-O 3.23Å; L261-G263 WeakPolarHBondContact CD1-O 3.24Å; L261-R264 HydrophobicContact CD1-CB 4.21Å; L261-R264 VanDerWaalsContact CD2-NH1 3.31Å
262L97.5Very high97.2Very high28 Ų2831.3 Ų31.315%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-101.2-27.2171.3-58-179.4000112.3G102 Y104 S152 L254 D256 N260G102-L262 WeakPolarHBondContact CA-O 3.44Å; Y104-L262 HydrophobicContact CD2-CB 4.26Å; Y104-L262 HydrophobicContact CE2-CB 4.3Å; Y104-L262 HydrophobicContact CE2-CD1 4.23Å; Y104-L262 HydrophobicContact CE2-CD2 4.23Å; Y104-L262 HydrophobicContact CE2-CG 4.49Å; S152-L262 WeakPolarHBondContact OG-CD1 3.32Å; L254-L262 HydrophobicContact CB-CB 4.48Å; L254-L262 HydrophobicContact CD2-CB 4.16Å; L254-L262 HydrophobicContact CG-CB 4.08Å; L254-L262 HydrophobicContact CG-CD1 4.47Å; L254-L262 WeakPolarHBondContact O-CA 3.4Å; L254-L262 WeakPolarHBondContact O-CB 3.48Å; L254-L262 PolarHBondContact O-N 3.37Å; D256-L262 HydrophobicContact CB-CD1 4.06Å; D256-L262 HydrophobicContact CB-CD2 4.33Å; D256-L262 HydrophobicContact CB-CG 4.26Å; N260-L262 PolarHBondContact O-N 3.17Å
263G97.5Very high97.1Very high0 Ų034.8 Ų34.80%021%0.211CC..EExtended strand (participates in β ladder)trans-168.4156.5179.500000111.8Y100 T253 L254 L261Y100-G263 CarbonylContact O-C 3.52Å; Y100-G263 WeakPolarHBondContact O-CA 3.18Å; T253-G263 CarbonylContact C-O 3.59Å; T253-G263 WeakPolarHBondContact CA-O 3.42Å; L254-G263 PolarHBondContact N-O 3.31Å; L254-G263 PolarHBondContact O-N 3.01Å; L254-G263 VanDerWaalsContact O-N 3.09Å; L261-G263 VanDerWaalsContact CD1-O 3.23Å; L261-G263 WeakPolarHBondContact CD1-O 3.24Å
264R98.3Very high97Very high37 Ų3736.6 Ų36.614%0.1422%0.223CC..EExtended strand (participates in β ladder)trans-149.6137.6178.5-174.6167.557.9-127.8-8.4111.5S96 K98 T99 Y100 I251 I252 T253 L261S96-R264 WeakPolarHBondContact O-CD 3.33Å; S96-R264 PolarHBondContact O-NE 3.38Å; S96-R264 VanDerWaalsContact O-NE 3.15Å; S96-R264 PolarHBondContact OG-NH2 3.1Å; K98-R264 PolarHBondContact O-NE 3.41Å; K98-R264 PolarHBondContact O-NH2 2.76Å; T99-R264 WeakPolarHBondContact CA-O 3.41Å; Y100-R264 CarbonylContact C-O 3.59Å; Y100-R264 PolarHBondContact N-O 3.09Å; Y100-R264 PolarHBondContact O-N 3.25Å; I251-R264 HydrophobicContact CG2-CG 3.81Å; I252-R264 WeakPolarHBondContact O-CA 3.38Å; T253-R264 HydrophobicContact CG2-CB 4.07Å; T253-R264 HydrophobicContact CG2-CG 3.77Å; L261-R264 HydrophobicContact CD1-CB 4.21Å; L261-R264 VanDerWaalsContact CD2-NH1 3.31Å
265D98Very high97Very high22 Ų2236.6 Ų36.612%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-147.4169.3168.2-158.44.6000110.2T99 F106 L108 I252T99-D265 WeakPolarHBondContact CG2-OD1 3.48Å; T99-D265 PolarHBondContact OG1-OD1 3.48Å; F106-D265 HydrophobicContact CE1-CB 4.28Å; L108-D265 HydrophobicContact CD1-CB 3.89Å; L108-D265 HydrophobicContact CG-CB 3.81Å; L108-D265 PolarHBondContact N-OD2 2.74Å; I252-D265 PolarHBondContact N-O 2.9Å; I252-D265 PolarHBondContact O-N 3.19Å; I252-D265 VanDerWaalsContact O-O 3.11Å
266S97.7Very high96.9Very high11 Ų1136 Ų368%0.07722%0.22CC..EExtended strand (participates in β ladder)trans-154.5155.6-175.565.70000113.4N128 T250N128-S266 PolarHBondContact ND2-O 3.48Å; T250-S266 VanDerWaalsContact O-CA 3.23Å; T250-S266 WeakPolarHBondContact O-CA 3.13Å; T250-S266 WeakPolarHBondContact O-CB 3.33Å
267F98Very high96.9Very high0 Ų040.9 Ų40.90%024%0.236CC..EExtended strand (participates in β ladder)trans-145.9150.3177.859.4-82.3000110.5L108 F110 N128 L130 V140 L249 T250 I252 V269L108-F267 HydrophobicContact CD1-CD1 3.62Å; L108-F267 HydrophobicContact CD1-CE1 3.94Å; F110-F267 HydrophobicContact CE1-CD1 4.2Å; F110-F267 HydrophobicContact CE1-CD2 4.05Å; F110-F267 HydrophobicContact CE1-CE1 4.28Å; F110-F267 HydrophobicContact CE1-CE2 4.13Å; F110-F267 HydrophobicContact CE1-CG 4.07Å; F110-F267 HydrophobicContact CE1-CZ 4.25Å; F110-F267 HydrophobicContact CE2-CB 4.47Å; F110-F267 HydrophobicContact CZ-CB 3.84Å; F110-F267 AromaticContact CZ-CD1 3.61Å; F110-F267 HydrophobicContact CZ-CD1 3.61Å; F110-F267 AromaticContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CD2 3.98Å; F110-F267 HydrophobicContact CZ-CE1 4.09Å; F110-F267 HydrophobicContact CZ-CE2 4.42Å; F110-F267 AromaticContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CG 3.54Å; F110-F267 HydrophobicContact CZ-CZ 4.47Å; N128-F267 WeakPolarHBondContact OD1-CB 3.32Å; L130-F267 HydrophobicContact CB-CD2 3.92Å; L130-F267 HydrophobicContact CB-CE2 4.05Å; L130-F267 HydrophobicContact CD2-CE2 3.89Å; V140-F267 HydrophobicContact CG1-CE1 4.42Å; V140-F267 HydrophobicContact CG2-CE1 4.4Å; V140-F267 HydrophobicContact CG2-CZ 3.95Å; L249-F267 VanDerWaalsContact CD1-C 3.45Å; L249-F267 WeakPolarHBondContact CD1-O 3.19Å; T250-F267 HydrophobicContact CG2-CE1 4.04Å; T250-F267 HydrophobicContact CG2-CZ 3.89Å; T250-F267 PolarHBondContact N-O 2.87Å; T250-F267 PolarHBondContact O-N 3.35Å; T250-F267 VanDerWaalsContact O-N 3.08Å; I252-F267 HydrophobicContact CD1-CE1 4.21Å; I252-F267 HydrophobicContact CG1-CE1 3.85Å; F267-V269 HydrophobicContact CD2-CG2 3.6Å; F267-V269 HydrophobicContact CE2-CG2 3.37Å; F267-V269 HydrophobicContact CZ-CG2 4.4Å
268E98.1Very high96.9Very high17 Ų1737.6 Ų37.68%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-76.9146.4176.4-173.4174.5155.100110.3N128 K129 L130 K161 I248N128-E268 PolarHBondContact O-N 2.68Å; K129-E268 CarbonylContact C-O 3.59Å; K129-E268 WeakPolarHBondContact CA-O 3.42Å; K129-E268 HydrophobicContact CB-CB 4.03Å; K129-E268 HydrophobicContact CD-CB 4.21Å; K129-E268 HydrophobicContact CD-CG 3.87Å; K129-E268 WeakPolarHBondContact CD-OE1 3.19Å; K129-E268 WeakPolarHBondContact CE-OE1 3.36Å; K129-E268 HydrophobicContact CG-CB 3.84Å; K129-E268 HydrophobicContact CG-CG 3.93Å; K129-E268 IonicContact NZ-OE1 2.65Å; K129-E268 PolarHBondContact NZ-OE1 3.32Å; L130-E268 PolarHBondContact N-O 2.86Å; K161-E268 HydrophobicContact CD-CG 4.46Å; K161-E268 VanDerWaalsContact CD-OE2 3.25Å; K161-E268 WeakPolarHBondContact CD-OE2 3.37Å; K161-E268 WeakPolarHBondContact CE-OE2 3.4Å; K161-E268 IonicContact NZ-OE2 2.78Å; K161-E268 PolarHBondContact NZ-OE2 3.02Å; I248-E268 WeakPolarHBondContact O-CG 3.33Å
269V98.3Very high97Very high1 Ų134.6 Ų34.61%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-127.5135176.9-175.50000111.4L130 Y233 I248 T250 F267 V271L130-V269 HydrophobicContact CB-CG2 4.32Å; L130-V269 CarbonylContact O-C 3.03Å; L130-V269 WeakPolarHBondContact O-CA 3.35Å; Y233-V269 HydrophobicContact CD1-CG1 4.06Å; Y233-V269 HydrophobicContact CD2-CG1 4.16Å; Y233-V269 HydrophobicContact CE1-CB 4.23Å; Y233-V269 HydrophobicContact CE1-CG1 3.84Å; Y233-V269 HydrophobicContact CE1-CG2 4.09Å; Y233-V269 HydrophobicContact CE2-CG1 3.97Å; Y233-V269 HydrophobicContact CE2-CG2 4.47Å; Y233-V269 HydrophobicContact CG-CG1 4.22Å; I248-V269 HydrophobicContact CD1-CB 4.16Å; I248-V269 HydrophobicContact CG1-CB 4.19Å; I248-V269 WeakPolarHBondContact CG1-O 3.41Å; I248-V269 PolarHBondContact O-N 3.24Å; T250-V269 VanDerWaalsContact OG1-CG2 3.29Å; T250-V269 WeakPolarHBondContact OG1-CG2 3.32Å; F267-V269 HydrophobicContact CD2-CG2 3.6Å; F267-V269 HydrophobicContact CE2-CG2 3.37Å; F267-V269 HydrophobicContact CZ-CG2 4.4Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å
270R98.1Very high97.1Very high88 Ų8838.2 Ų38.233%0.33219%0.188SC..EExtended strand (participates in β ladder)trans-125.6112.3170.2-179.3179.4176.798.22.5110.4L130 F131 C132 C272 D278 E282L130-R270 PolarHBondContact O-N 2.59Å; F131-R270 WeakPolarHBondContact CA-O 3.33Å; F131-R270 HydrophobicContact CD1-CB 4.05Å; F131-R270 HydrophobicContact CD1-CG 4.31Å; F131-R270 HydrophobicContact CE1-CB 4.32Å; C132-R270 PolarHBondContact N-O 2.78Å; R270-C272 HydrophobicContact CG-CB 4.23Å; R270-D278 IonicContact CZ-OD2 3.74Å; R270-D278 VanDerWaalsContact CZ-OD2 3.31Å; R270-D278 IonicContact NE-OD2 2.67Å; R270-D278 PolarHBondContact NE-OD2 2.87Å; R270-D278 IonicContact NH2-OD2 3.23Å; R270-D278 PolarHBondContact NH2-OD2 3.42Å; R270-E282 WeakPolarHBondContact CD-OE1 3.23Å; R270-E282 IonicContact CZ-OE1 3.33Å; R270-E282 IonicContact NE-OE1 2.76Å; R270-E282 IonicContact NH1-OE1 2.99Å; R270-E282 PolarHBondContact NH1-OE1 3.04Å
271V98.3Very high97.1Very high2 Ų237 Ų371%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-90.4110.8174.4-168.10000108.7C132 L134 Y233 C235 S237 V269C132-V271 CarbonylContact O-C 3.59Å; C132-V271 VanDerWaalsContact O-CA 3.28Å; C132-V271 WeakPolarHBondContact O-CA 3.24Å; L134-V271 HydrophobicContact CB-CG1 4.38Å; Y233-V271 VanDerWaalsContact CB-CG2 3.46Å; Y233-V271 HydrophobicContact CD1-CG2 4.37Å; Y233-V271 HydrophobicContact CG-CG2 3.97Å; C235-V271 WeakPolarHBondContact O-CB 3.46Å; C235-V271 WeakPolarHBondContact O-CG1 3.4Å; S237-V271 PolarHBondContact N-O 2.86Å; S237-V271 PolarHBondContact OG-N 2.9Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å
272C97.5Very high97Very high9 Ų935.8 Ų35.86%0.06118%0.177CC..  trans-145.2160.5-171.661.30000111.9C132 Q133 R270 C274 D278C132-C272 PolarHBondContact O-N 2.83Å; C132-C272 VanDerWaalsContact O-O 3.11Å; Q133-C272 WeakPolarHBondContact CA-O 3.31Å; R270-C272 HydrophobicContact CG-CB 4.23Å; C272-C274 PolarHBondContact O-N 3.42Å; C272-D278 WeakPolarHBondContact CB-OD2 3.42Å
273A96.6Very high96.9Very high73 Ų7336.5 Ų36.560%0.60318%0.179SC*.SBendtrans-69.1-33.5-178.100000113.3Q133 P275Q133-A273 PolarHBondContact NE2-O 3.26Å; A273-P275 WeakPolarHBondContact O-CD 3.44Å
274C96Very high96.8Very high53 Ų5337.9 Ų37.936%0.35819%0.185SC..  trans-127.674.9-173.4-61.80000111.7C272 G276 R277 D278C272-C274 PolarHBondContact O-N 3.42Å; C274-G276 PolarHBondContact O-N 2.95Å; C274-R277 HydrophobicContact CB-CB 4.06Å; C274-R277 PolarHBondContact O-N 2.63Å; C274-R277 VanDerWaalsContact O-N 3.13Å; C274-D278 PolarHBondContact O-N 2.69Å; C274-D278 VanDerWaalsContact O-N 3.1Å
275P97.2Very high96.6Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-52.9-46.4-175-30.337.3000114.8V119 T122 F131 Q133 A273 R277 D278 R279V119-P275 HydrophobicContact CG1-CB 4.24Å; T122-P275 HydrophobicContact CG2-CB 3.88Å; F131-P275 HydrophobicContact CB-CB 3.78Å; Q133-P275 HydrophobicContact CG-CG 3.8Å; A273-P275 WeakPolarHBondContact O-CD 3.44Å; P275-R277 VanDerWaalsContact C-N 3.31Å; P275-R277 PolarHBondContact O-N 3.26Å; P275-D278 PolarHBondContact O-N 3.1Å; P275-R279 VanDerWaalsContact O-CB 3.27Å; P275-R279 WeakPolarHBondContact O-CB 3.28Å; P275-R279 PolarHBondContact O-N 2.59Å
276G95.9Very high96.3Very high0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-67.1-26.9-178.500000114.5T115 C274 R280T115-G276 CarbonylContact O-C 3.58Å; T115-G276 WeakPolarHBondContact O-CA 3.43Å; C274-G276 PolarHBondContact O-N 2.95Å; G276-R280 WeakPolarHBondContact O-CG 3.46Å; G276-R280 PolarHBondContact O-N 3.43Å; G276-R280 PolarHBondContact O-NE 3.16Å; G276-R280 VanDerWaalsContact O-NE 3.09Å
277R95.7Very high95.9Very high138 Ų13848 Ų4852%0.52123%0.228SC..Hα-helixtrans-75.3-54172.8-178.2-163.265.8170.9-0.5110C274 P275 R279 R280 T281C274-R277 HydrophobicContact CB-CB 4.06Å; C274-R277 PolarHBondContact O-N 2.63Å; C274-R277 VanDerWaalsContact O-N 3.13Å; P275-R277 VanDerWaalsContact C-N 3.31Å; P275-R277 PolarHBondContact O-N 3.26Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.5Å; R277-R280 PolarHBondContact O-N 3.33Å; R277-R280 VanDerWaalsContact O-N 3.1Å; R277-T281 PolarHBondContact O-N 3.11Å; R277-T281 PolarHBondContact O-OG1 2.91Å
278D96.3Very high95.5Very high14 Ų1450 Ų508%0.07524%0.236CC..Hα-helixtrans-60.7-38.1-176.4-76.127.3000111F131 R270 C272 C274 P275 E282F131-D278 HydrophobicContact CD1-CB 3.98Å; F131-D278 HydrophobicContact CE1-CB 4.17Å; R270-D278 IonicContact CZ-OD2 3.74Å; R270-D278 VanDerWaalsContact CZ-OD2 3.31Å; R270-D278 IonicContact NE-OD2 2.67Å; R270-D278 PolarHBondContact NE-OD2 2.87Å; R270-D278 IonicContact NH2-OD2 3.23Å; R270-D278 PolarHBondContact NH2-OD2 3.42Å; C272-D278 WeakPolarHBondContact CB-OD2 3.42Å; C274-D278 PolarHBondContact O-N 2.69Å; C274-D278 VanDerWaalsContact O-N 3.1Å; P275-D278 PolarHBondContact O-N 3.1Å; D278-E282 WeakPolarHBondContact O-CB 3.38Å; D278-E282 WeakPolarHBondContact O-CG 3.26Å; D278-E282 PolarHBondContact O-N 3.12Å
279R96.5Very high94.7Very high30 Ų3055.8 Ų55.811%0.11326%0.261CS..Hα-helixtrans-57.9-51.2172175.8172.4165.9-157.53.5112.4S113 T115 T122 Y123 F131 P275 R277 T281 E282 E283S113-R279 PolarHBondContact O-NH1 3.37Å; T115-R279 HydrophobicContact CG2-CG 4.21Å; T122-R279 HydrophobicContact CG2-CB 4.16Å; T122-R279 WeakPolarHBondContact OG1-CD 3.5Å; T122-R279 PolarHBondContact OG1-NH1 2.9Å; Y123-R279 PolarHBondContact O-NE 2.97Å; Y123-R279 PolarHBondContact O-NH1 3.42Å; Y123-R279 VanDerWaalsContact O-NH1 3.14Å; Y123-R279 PolarHBondContact O-NH2 2.86Å; F131-R279 HydrophobicContact CD1-CB 4.32Å; F131-R279 HydrophobicContact CD2-CB 3.76Å; F131-R279 HydrophobicContact CD2-CG 4.13Å; F131-R279 HydrophobicContact CE1-CB 4.42Å; F131-R279 HydrophobicContact CE2-CB 3.89Å; F131-R279 HydrophobicContact CE2-CG 4.05Å; F131-R279 HydrophobicContact CG-CB 4Å; F131-R279 HydrophobicContact CZ-CB 4.23Å; P275-R279 VanDerWaalsContact O-CB 3.27Å; P275-R279 WeakPolarHBondContact O-CB 3.28Å; P275-R279 PolarHBondContact O-N 2.59Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.5Å; R279-T281 PolarHBondContact O-N 2.88Å; R279-E282 PolarHBondContact O-N 3.47Å; R279-E283 HydrophobicContact CG-CG 4.22Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 IonicContact NE-OE1 2.65Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.51Å; R279-E283 IonicContact NH2-OE1 2.68Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 WeakPolarHBondContact O-CB 3.48Å; R279-E283 WeakPolarHBondContact O-CG 3.15Å; R279-E283 PolarHBondContact O-N 3.27Å
280R95.3Very high93.6Very high116 Ų11661 Ų6144%0.43829%0.286SS..Hα-helixtrans-61.3-45.1-179.2-77.6-177.1-71.1172.21.5111.8T115 G276 R277 E283 E284T115-R280 HydrophobicContact CG2-CG 4.15Å; G276-R280 WeakPolarHBondContact O-CG 3.46Å; G276-R280 PolarHBondContact O-N 3.43Å; G276-R280 PolarHBondContact O-NE 3.16Å; G276-R280 VanDerWaalsContact O-NE 3.09Å; R277-R280 PolarHBondContact O-N 3.33Å; R277-R280 VanDerWaalsContact O-N 3.1Å; R280-E283 PolarHBondContact O-N 3.42Å; R280-E284 VanDerWaalsContact O-CB 3.26Å; R280-E284 WeakPolarHBondContact O-CB 3.25Å; R280-E284 PolarHBondContact O-N 3.3Å
281T95.4Very high92Very high69 Ų6962 Ų6242%0.42330%0.301SS..Hα-helixtrans-62.6-45178.1-57.10000111.5R277 R279 E284 N285R277-T281 PolarHBondContact O-N 3.11Å; R277-T281 PolarHBondContact O-OG1 2.91Å; R279-T281 PolarHBondContact O-N 2.88Å; T281-E284 PolarHBondContact O-N 2.88Å; T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.32Å; T281-N285 PolarHBondContact O-ND2 3.42Å
282E95.8Very high90Very high44 Ų4464.7 Ų64.721%0.20632%0.315CS..Hα-helixtrans-70.1-39179.3-71.4-167.4-156.500112.8L127 K129 F131 R270 D278 R279 N285 F286L127-E282 HydrophobicContact CD1-CB 3.85Å; K129-E282 WeakPolarHBondContact CD-OE2 3.39Å; K129-E282 VanDerWaalsContact CE-OE2 3.28Å; K129-E282 WeakPolarHBondContact CE-OE2 3.31Å; K129-E282 IonicContact NZ-OE1 3.45Å; K129-E282 PolarHBondContact NZ-OE1 3.01Å; K129-E282 IonicContact NZ-OE2 3.96Å; K129-E282 PolarHBondContact NZ-OE2 3.13Å; F131-E282 HydrophobicContact CE1-CB 4.44Å; F131-E282 HydrophobicContact CE1-CG 4.28Å; F131-E282 HydrophobicContact CZ-CB 4.09Å; F131-E282 HydrophobicContact CZ-CG 4.37Å; R270-E282 WeakPolarHBondContact CD-OE1 3.23Å; R270-E282 IonicContact CZ-OE1 3.33Å; R270-E282 IonicContact NE-OE1 2.76Å; R270-E282 IonicContact NH1-OE1 2.99Å; R270-E282 PolarHBondContact NH1-OE1 3.04Å; D278-E282 WeakPolarHBondContact O-CB 3.38Å; D278-E282 WeakPolarHBondContact O-CG 3.26Å; D278-E282 PolarHBondContact O-N 3.12Å; R279-E282 PolarHBondContact O-N 3.47Å; E282-N285 PolarHBondContact O-N 3.27Å; E282-F286 VanDerWaalsContact O-CB 3.31Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.98Å
283E95.4Very high87.7Confident42 Ų4267.9 Ų67.920%0.19634%0.337CS..Hα-helixtrans-64-39.9173.7-76.2178.2167.900111.5S124 P126 L127 R279 R280 F286 R287S124-E283 VanDerWaalsContact CB-OE1 3.23Å; S124-E283 WeakPolarHBondContact CB-OE1 3.01Å; S124-E283 VanDerWaalsContact OG-CG 3.31Å; S124-E283 WeakPolarHBondContact OG-CG 3.15Å; S124-E283 PolarHBondContact OG-OE1 2.67Å; P126-E283 HydrophobicContact CG-CG 4.26Å; L127-E283 HydrophobicContact CD1-CG 4.04Å; L127-E283 HydrophobicContact CG-CG 4.48Å; R279-E283 HydrophobicContact CG-CG 4.22Å; R279-E283 IonicContact CZ-OE1 3.81Å; R279-E283 IonicContact NE-OE1 2.65Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.51Å; R279-E283 IonicContact NH2-OE1 2.68Å; R279-E283 PolarHBondContact NH2-OE1 3.42Å; R279-E283 WeakPolarHBondContact O-CB 3.48Å; R279-E283 WeakPolarHBondContact O-CG 3.15Å; R279-E283 PolarHBondContact O-N 3.27Å; R280-E283 PolarHBondContact O-N 3.42Å; E283-F286 PolarHBondContact O-N 3.49Å; E283-R287 WeakPolarHBondContact O-CB 3.42Å; E283-R287 PolarHBondContact O-N 3.23Å
284E94.7Very high85.4Confident29 Ų2969.3 Ų69.314%0.13634%0.34CS..Hα-helixtrans-66.5-44.2176.5-167.3-165.6-17400111.5R280 T281 F286 R287 K288R280-E284 VanDerWaalsContact O-CB 3.26Å; R280-E284 WeakPolarHBondContact O-CB 3.25Å; R280-E284 PolarHBondContact O-N 3.3Å; T281-E284 PolarHBondContact O-N 2.88Å; E284-F286 VanDerWaalsContact C-N 3.27Å; E284-F286 PolarHBondContact O-N 3.36Å; E284-R287 PolarHBondContact O-N 2.97Å; E284-K288 HydrophobicContact CG-CD 4.39Å; E284-K288 WeakPolarHBondContact O-CG 3.39Å; E284-K288 PolarHBondContact O-N 3.48Å; E284-K288 WeakPolarHBondContact OE1-CE 3.45Å; E284-K288 IonicContact OE1-NZ 2.83Å; E284-K288 PolarHBondContact OE1-NZ 2.87Å; E284-K288 IonicContact OE2-NZ 3.87Å; E284-K288 PolarHBondContact OE2-NZ 3.41Å
285N93.4Very high82.7Confident73 Ų7376.2 Ų76.239%0.3937%0.367SS..Hα-helixtrans-61-39.3174.9-70.9-17.4000111.5T281 E282 K288 K289T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.32Å; T281-N285 PolarHBondContact O-ND2 3.42Å; E282-N285 PolarHBondContact O-N 3.27Å; N285-K288 PolarHBondContact O-N 3.47Å; N285-K289 WeakPolarHBondContact O-CB 3.48Å; N285-K289 PolarHBondContact O-N 3.16Å
286F91.2Very high80.4Confident69 Ų6983.1 Ų83.130%0.30340%0.403SS..Hα-helixtrans-65.1-45.1175.2-176.3-101.1000111.8P126 L127 E282 E283 E284 K288 K289 E290P126-F286 HydrophobicContact CB-CD1 4.4Å; P126-F286 HydrophobicContact CB-CE1 4.19Å; L127-F286 HydrophobicContact CD2-CB 3.69Å; L127-F286 HydrophobicContact CD2-CD1 4.1Å; L127-F286 HydrophobicContact CD2-CD2 3.55Å; L127-F286 HydrophobicContact CD2-CE2 4.19Å; L127-F286 HydrophobicContact CD2-CG 3.51Å; E282-F286 VanDerWaalsContact O-CB 3.31Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.98Å; E283-F286 PolarHBondContact O-N 3.49Å; E284-F286 VanDerWaalsContact C-N 3.27Å; E284-F286 PolarHBondContact O-N 3.36Å; F286-K288 PolarHBondContact O-N 2.82Å; F286-K289 CarbonylContact O-C 3.48Å; F286-K289 WeakPolarHBondContact O-CB 3.44Å; F286-K289 PolarHBondContact O-N 3.38Å; F286-K289 VanDerWaalsContact O-N 3.16Å; F286-E290 HydrophobicContact CD1-CG 4.29Å; F286-E290 HydrophobicContact CE1-CG 3.91Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.06Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.21Å; F286-E290 PolarHBondContact O-N 3.16Å
287R90.4Very high77.7Confident142 Ų14288.4 Ų88.454%0.53644%0.437SS..Hα-helixtrans-61.9-42.8174.7-175.7-175.765.9177.6-1.8112E283 E284 K289 E290 V291E283-R287 WeakPolarHBondContact O-CB 3.42Å; E283-R287 PolarHBondContact O-N 3.23Å; E284-R287 PolarHBondContact O-N 2.97Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.45Å; R287-E290 PolarHBondContact O-N 3.46Å; R287-V291 HydrophobicContact CG-CG2 4.2Å; R287-V291 WeakPolarHBondContact O-CB 3.12Å; R287-V291 WeakPolarHBondContact O-CG2 3.31Å; R287-V291 PolarHBondContact O-N 3.12Å
288K88.9Confident74.9Confident40 Ų4088.5 Ų88.517%0.17446%0.456CS..Hα-helixtrans-57.9-47.1174.4-75.1170.8-179.8157.80109.1E284 N285 F286 E290 V291 L292 A350E284-K288 HydrophobicContact CG-CD 4.39Å; E284-K288 WeakPolarHBondContact O-CG 3.39Å; E284-K288 PolarHBondContact O-N 3.48Å; E284-K288 WeakPolarHBondContact OE1-CE 3.45Å; E284-K288 IonicContact OE1-NZ 2.83Å; E284-K288 PolarHBondContact OE1-NZ 2.87Å; E284-K288 IonicContact OE2-NZ 3.87Å; E284-K288 PolarHBondContact OE2-NZ 3.41Å; N285-K288 PolarHBondContact O-N 3.47Å; F286-K288 PolarHBondContact O-N 2.82Å; K288-E290 PolarHBondContact O-N 3.26Å; K288-V291 PolarHBondContact O-N 2.63Å; K288-L292 VanDerWaalsContact O-CD1 3.31Å; K288-L292 WeakPolarHBondContact O-CD1 3.47Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; K288-L292 PolarHBondContact O-N 2.84Å; K288-A350 HydrophobicContact CD-CB 4.32Å; K288-A350 VanDerWaalsContact NZ-CA 3.27Å; K288-A350 PolarHBondContact NZ-O 3.33Å
289K82.9Confident72.3Confident139 Ų13990.9 Ų90.960%0.60448%0.483SS*.Hα-helixtrans-63.5-38.7177.6-163.4172.7-175.4174.10114.4N285 F286 R287 C293N285-K289 WeakPolarHBondContact O-CB 3.48Å; N285-K289 PolarHBondContact O-N 3.16Å; F286-K289 CarbonylContact O-C 3.48Å; F286-K289 WeakPolarHBondContact O-CB 3.44Å; F286-K289 PolarHBondContact O-N 3.38Å; F286-K289 VanDerWaalsContact O-N 3.16Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.45Å; K289-C293 PolarHBondContact O-N 3.23Å
290E75.1Confident69.9Low112 Ų11295.4 Ų95.452%0.52352%0.52SS..Hα-helixtrans-70.8-41.9176-77.7-171.6151.400112.6F286 R287 K288 L292 C293F286-E290 HydrophobicContact CD1-CG 4.29Å; F286-E290 HydrophobicContact CE1-CG 3.91Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.06Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.21Å; F286-E290 PolarHBondContact O-N 3.16Å; R287-E290 PolarHBondContact O-N 3.46Å; K288-E290 PolarHBondContact O-N 3.26Å; E290-L292 PolarHBondContact O-N 3.47Å; E290-C293 CarbonylContact O-C 3.52Å; E290-C293 PolarHBondContact O-N 3.29Å
291V62.9Low67.1Low108 Ų10894.5 Ų94.566%0.65554%0.537SS*.Hα-helixtrans-64.4-28.9176.9172.10000111R287 K288 C293R287-V291 HydrophobicContact CG-CG2 4.2Å; R287-V291 WeakPolarHBondContact O-CB 3.12Å; R287-V291 WeakPolarHBondContact O-CG2 3.31Å; R287-V291 PolarHBondContact O-N 3.12Å; K288-V291 PolarHBondContact O-N 2.63Å; V291-C293 VanDerWaalsContact C-N 3.33Å
292L57.3Low65Low59 Ų59101 Ų10131%0.30956%0.56SS.*Hα-helixtrans-71.6-25.2172.2-62163.8000111.4K288 E290 P294 D321 G322 Y324K288-L292 VanDerWaalsContact O-CD1 3.31Å; K288-L292 WeakPolarHBondContact O-CD1 3.47Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; K288-L292 PolarHBondContact O-N 2.84Å; E290-L292 PolarHBondContact O-N 3.47Å; L292-P294 VanDerWaalsContact O-CD 3.25Å; L292-P294 WeakPolarHBondContact O-CD 3.37Å; L292-D321 WeakPolarHBondContact CD2-O 3.49Å; L292-G322 CarbonylContact C-O 3.35Å; L292-G322 CarbonylContact O-C 3.54Å; L292-G322 VanDerWaalsContact O-CA 3.28Å; L292-G322 WeakPolarHBondContact O-CA 3.46Å; L292-Y324 HydrophobicContact CB-CE2 3.6Å
293C49.4Very low62.5Low75 Ų75110.8 Ų110.851%0.50760%0.595SS.*  trans-114.883.1179.7-84.70000114.6K289 E290 V291 E295 Y324K289-C293 PolarHBondContact O-N 3.23Å; E290-C293 CarbonylContact O-C 3.52Å; E290-C293 PolarHBondContact O-N 3.29Å; V291-C293 VanDerWaalsContact C-N 3.33Å; C293-E295 PolarHBondContact O-N 3.32Å; C293-Y324 HydrophobicContact CB-CE2 4.41Å; C293-Y324 WeakPolarHBondContact SG-CD2 3.49Å; C293-Y324 WeakPolarHBondContact SG-CE2 3.15Å
294P47.1Very low59.8Low103 Ų103113.7 Ų113.767%0.66963%0.626SS**  trans-71.9119.9156.8-2.218.5000108.7L292 L296L292-P294 VanDerWaalsContact O-CD 3.25Å; L292-P294 WeakPolarHBondContact O-CD 3.37Å; P294-L296 PolarHBondContact O-N 3.18Å
295E39.8Very low57.2Low199 Ų199120.2 Ų120.293%0.9366%0.661SS**  trans-51.6107169.2-74.7-110.7138.300110C293C293-E295 PolarHBondContact O-N 3.32Å
296L47.9Very low54.9Low145 Ų145121.6 Ų121.676%0.75967%0.674SS**  trans-74.3129.9169.9-79.2164.8000108.5P294P294-L296 PolarHBondContact O-N 3.18Å
297P40.7Very low52.4Low110 Ų110125.2 Ų125.271%0.71470%0.701SS**  trans-62.4145.1179.924.7-31.8000110.9G299P297-G299 PolarHBondContact O-N 3.06Å
298P37.4Very low49.6Very low140 Ų140124 Ų12491%0.90971%0.713SS**SBendtrans-76.199.9-174.730.8-31.9000109.4
299G39.8Very low47.2Very low64 Ų64128.3 Ų128.366%0.6674%0.744SS**  trans165.988.6171.100000115.9P297P297-G299 PolarHBondContact O-N 3.06Å
300S46.8Very low45.1Very low125 Ų125126.8 Ų126.887%0.87475%0.75SS**  trans172.582.5134.144.40000111K302S300-K302 PolarHBondContact O-N 3.24Å
301A37.1Very low43.3Very low98 Ų98125.7 Ų125.781%0.8176%0.76SS**  trans-73.1114.6155.200000108.4
302K50.8Low42.3Very low204 Ų204126.1 Ų126.189%0.88777%0.768SS**  trans174.592.5145.1-94161.1-171.8-173.80112.4S300S300-K302 PolarHBondContact O-N 3.24Å
303R43Very low41.5Very low251 Ų251129 Ų12995%0.94779%0.791SS**  34.7109.2124.8-160.3179.6-137.5175.53.7118.7
304A38.7Very low41.1Very low102 Ų102131 Ų13184%0.84380%0.803SS**  170135125.100000113
305L39.9Very low40.5Very low167 Ų167134.9 Ų134.987%0.87481%0.812SS**  trans-112.3170.6167.7-111.7108.2000107.7
306P45.1Very low40.2Very low102 Ų102135.7 Ų135.766%0.66281%0.812SS**  -136.6162.2-53.240.5-24.1000112.4
307T40.3Very low39.5Very low144 Ų144137.6 Ų137.688%0.88381%0.814SS**  trans-141.5122.1161.9-45.10000112
308C30.7Very low39.4Very low116 Ų116141.1 Ų141.178%0.78482%0.818SS**  trans-65.6138.8179.1-530000112.7
309T39.1Very low39.6Very low132 Ų132140.3 Ų140.381%0.8181%0.813SS**  trans-158.9118144.6-52.80000111.9
310S38.8Very low40Very low107 Ų107145.1 Ų145.175%0.74882%0.823SS**  trans28.7134.2154.685.90000124.6
311A35.7Very low40.7Very low89 Ų89145.3 Ų145.374%0.73681%0.814SS**  trans80.898.3131.300000120.1
312S43.2Very low42.5Very low117 Ų117141.5 Ų141.582%0.81878%0.784SS**  169133.5127.641.30000111.7
313P40.9Very low44.2Very low120 Ų120137.8 Ų137.878%0.77977%0.77SS**  trans-87.4174.2156.637.4-29000108.6
314P40.2Very low46.2Very low117 Ų117131.1 Ų131.176%0.7675%0.745SS**  cis-131.4168.6-2.838.8-21.6000113
315Q35.3Very low48.7Very low184 Ų184133.5 Ų133.586%0.8674%0.737SS**  trans-173.7129146.3-104.8166.223.500110.2K317Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å
316K33.4Very low51.2Low216 Ų216132.1 Ų132.194%0.93974%0.736SS**  trans-61.389.6175.1-71.4176.9176.2177.40109.6K318K316-K318 PolarHBondContact O-N 2.91Å
317K32.7Very low53.6Low185 Ų185133 Ų13380%0.80474%0.735SS**  trans-72.3115.3170-73.3-175.6177-178.70107.9Q315Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å
318K38.7Very low56.2Low184 Ų184135.5 Ų135.580%0.873%0.733SS**  trans-49.2140.6161.4-76.5174.1173.1179.40107.9K316 L320K316-K318 PolarHBondContact O-N 2.91Å; K318-L320 PolarHBondContact O-N 3.27Å
319P42.3Very low59.3Low123 Ų123132.4 Ų132.480%0.79971%0.708SS**  trans-60.6110.3179.5-9.923.7000108D321P319-D321 VanDerWaalsContact C-N 3.35Å; P319-D321 HydrophobicContact CB-CB 4.42Å; P319-D321 PolarHBondContact O-N 3.06Å
320L46.9Very low62Low164 Ų164136.6 Ų136.686%0.85971%0.709SS**  trans-83.386.6165.4-81.4153.2000104.4K318K318-L320 PolarHBondContact O-N 3.27Å
321D61.5Low64.7Low130 Ų130133.7 Ų133.770%0.69570%0.696SS**  trans-13984.5-171.8-151.818.1000110.6L292 P319L292-D321 WeakPolarHBondContact CD2-O 3.49Å; P319-D321 VanDerWaalsContact C-N 3.35Å; P319-D321 HydrophobicContact CB-CB 4.42Å; P319-D321 PolarHBondContact O-N 3.06Å
322G74.6Confident67.5Low17 Ų17139 Ų13918%0.17570%0.697CS.*  trans-135.1-12.7170.900000113.6L292 Y324L292-G322 CarbonylContact C-O 3.35Å; L292-G322 CarbonylContact O-C 3.54Å; L292-G322 VanDerWaalsContact O-CA 3.28Å; L292-G322 WeakPolarHBondContact O-CA 3.46Å; G322-Y324 VanDerWaalsContact O-CD2 3.29Å; G322-Y324 WeakPolarHBondContact O-CD2 3.12Å; G322-Y324 PolarHBondContact O-N 3.46Å; G322-Y324 VanDerWaalsContact O-N 3.12Å
323E86.4Confident70Confident127 Ų127142.3 Ų142.359%0.59370%0.697SS**  trans-59.9119.6-172.7-167.1175.5178.300111.7F325E323-F325 HydrophobicContact CB-CE2 3.81Å; E323-F325 HydrophobicContact CB-CZ 3.8Å; E323-F325 HydrophobicContact CG-CE1 3.91Å; E323-F325 HydrophobicContact CG-CE2 3.93Å; E323-F325 HydrophobicContact CG-CZ 3.54Å; E323-F325 VanDerWaalsContact O-CD2 3.24Å; E323-F325 WeakPolarHBondContact O-CD2 3.31Å; E323-F325 VanDerWaalsContact O-CE2 3.23Å; E323-F325 WeakPolarHBondContact O-CE2 3.06Å; E323-F325 WeakPolarHBondContact OE1-CE1 3.28Å; E323-F325 WeakPolarHBondContact OE2-CZ 3.42Å
324Y85.7Confident72.5Confident110 Ų110142.8 Ų142.843%0.43168%0.683SS.*  trans-82.6126.2173.8-76.2-95.6000110L292 C293 G322L292-Y324 HydrophobicContact CB-CE2 3.6Å; C293-Y324 HydrophobicContact CB-CE2 4.41Å; C293-Y324 WeakPolarHBondContact SG-CD2 3.49Å; C293-Y324 WeakPolarHBondContact SG-CE2 3.15Å; G322-Y324 VanDerWaalsContact O-CD2 3.29Å; G322-Y324 WeakPolarHBondContact O-CD2 3.12Å; G322-Y324 PolarHBondContact O-N 3.46Å; G322-Y324 VanDerWaalsContact O-N 3.12Å
325F91.4Very high75.2Confident152 Ų152141.8 Ų141.867%0.66767%0.667SS**  trans-106.1137175.1-59.3-85.2000110.7E323 L327E323-F325 HydrophobicContact CB-CE2 3.81Å; E323-F325 HydrophobicContact CB-CZ 3.8Å; E323-F325 HydrophobicContact CG-CE1 3.91Å; E323-F325 HydrophobicContact CG-CE2 3.93Å; E323-F325 HydrophobicContact CG-CZ 3.54Å; E323-F325 VanDerWaalsContact O-CD2 3.24Å; E323-F325 WeakPolarHBondContact O-CD2 3.31Å; E323-F325 VanDerWaalsContact O-CE2 3.23Å; E323-F325 WeakPolarHBondContact O-CE2 3.06Å; E323-F325 WeakPolarHBondContact OE1-CE1 3.28Å; E323-F325 WeakPolarHBondContact OE2-CZ 3.42Å; F325-L327 PolarHBondContact O-N 3.5Å
326T93.3Very high78.1Confident138 Ų138136 Ų13685%0.84764%0.64SS**  trans-83.3110.6173-59.50000110.2
327L94.1Very high81Confident122 Ų122131.5 Ų131.564%0.63962%0.623SS**  trans-96.8116.4176-174.562.2000111.3F325 I329 F338F325-L327 PolarHBondContact O-N 3.5Å; L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CD2-CG1 4.1Å; L327-I329 HydrophobicContact CG-CD1 4.33Å; L327-I329 HydrophobicContact CG-CG1 3.92Å; L327-F338 HydrophobicContact CD2-CD1 4.47Å
328K95.2Very high84.1Confident196 Ų196127.3 Ų127.385%0.85261%0.605SS**  trans-83.7114175-67.8-174.8179.1-179.10110.5
329I96.1Very high86.8Confident50 Ų50123.3 Ų123.326%0.25659%0.585SS.*  trans-112.1125.2-177.6-55172.5000110.3L327 R334 F335 F338L327-I329 HydrophobicContact CD2-CD1 4.06Å; L327-I329 HydrophobicContact CD2-CG1 4.1Å; L327-I329 HydrophobicContact CG-CD1 4.33Å; L327-I329 HydrophobicContact CG-CG1 3.92Å; I329-R334 HydrophobicContact CG2-CB 3.97Å; I329-R334 HydrophobicContact CG2-CG 3.7Å; I329-F335 HydrophobicContact CD1-CD2 4.42Å; I329-F335 HydrophobicContact CG2-CB 4.3Å; I329-F338 HydrophobicContact CD1-CB 3.55Å; I329-F338 HydrophobicContact CD1-CD2 3.81Å; I329-F338 HydrophobicContact CD1-CG 3.8Å; I329-F338 HydrophobicContact CG1-CD2 4.47Å; I329-F338 HydrophobicContact CG2-CD2 4.28Å
330R96Very high89.3Confident221 Ų221123.9 Ų123.983%0.83458%0.577SS**  trans-84124.5172.2-177.6179.9171.7127.3-1.3110.7R334R330-R334 PolarHBondContact O-NH1 2.94Å; R330-R334 VanDerWaalsContact O-NH1 3.13Å
331G95.2Very high91.6Very high46 Ų46120.9 Ų120.947%0.47456%0.561SS.*SBendtrans95.1135.3171.200000114.1R334 F335G331-R334 PolarHBondContact O-N 3.45Å; G331-F335 PolarHBondContact O-N 2.93Å
332R94.9Very high93.2Very high200 Ų200118.7 Ų118.776%0.75555%0.55SS*.Hα-helixtrans-60.6-50.7-175.5-177.7179.7-73.7-90.34.4113.1R334 F335 E336R332-R334 PolarHBondContact O-N 3.26Å; R332-F335 WeakPolarHBondContact O-CB 3.25Å; R332-F335 PolarHBondContact O-N 2.97Å; R332-F335 VanDerWaalsContact O-N 3.11Å; R332-E336 HydrophobicContact CG-CG 4.44Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.33Å
333K95Very high94.1Very high186 Ų186122.6 Ų122.681%0.80956%0.564SS**Hα-helixtrans-56.7-39.3179.4-68.3-174.2178.3-1760112.3M337K333-M337 WeakPolarHBondContact O-CG 3.19Å; K333-M337 PolarHBondContact O-N 3.42Å
334R94.4Very high94.4Very high131 Ų131119 Ų11949%0.49456%0.555SS.*Hα-helixtrans-68.6-43.5177.6-169.8-178.6-70.2150.6-9.3111.5I329 R330 G331 R332 E336 M337 F338I329-R334 HydrophobicContact CG2-CB 3.97Å; I329-R334 HydrophobicContact CG2-CG 3.7Å; R330-R334 PolarHBondContact O-NH1 2.94Å; R330-R334 VanDerWaalsContact O-NH1 3.13Å; G331-R334 PolarHBondContact O-N 3.45Å; R332-R334 PolarHBondContact O-N 3.26Å; R334-E336 VanDerWaalsContact C-N 3.34Å; R334-E336 PolarHBondContact O-N 3.46Å; R334-M337 HydrophobicContact CB-CE 4.4Å; R334-M337 HydrophobicContact CG-CE 4.45Å; R334-M337 PolarHBondContact O-N 3.03Å; R334-F338 HydrophobicContact CG-CD2 3.85Å; R334-F338 HydrophobicContact CG-CE2 3.71Å; R334-F338 VanDerWaalsContact O-CD2 3.31Å; R334-F338 WeakPolarHBondContact O-CD2 3.46Å; R334-F338 PolarHBondContact O-N 3.36Å; R334-F338 VanDerWaalsContact O-N 3.14Å
335F96.9Very high94.8Very high96 Ų96117.6 Ų117.642%0.42156%0.555SS.*Hα-helixtrans-57.1-46.2174.5166.5-99.1000112I329 G331 R332 M337 F338 R339I329-F335 HydrophobicContact CD1-CD2 4.42Å; I329-F335 HydrophobicContact CG2-CB 4.3Å; G331-F335 PolarHBondContact O-N 2.93Å; R332-F335 WeakPolarHBondContact O-CB 3.25Å; R332-F335 PolarHBondContact O-N 2.97Å; R332-F335 VanDerWaalsContact O-N 3.11Å; F335-M337 PolarHBondContact O-N 3.09Å; F335-F338 PolarHBondContact O-N 3.04Å; F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 2.99Å
336E96.1Very high94.7Very high62 Ų62115 Ų11529%0.2955%0.545SS..Hα-helixtrans-58.9-44.8178.4-65.7-68.2145.900112R332 R334 R339 E340R332-E336 HydrophobicContact CG-CG 4.44Å; R332-E336 WeakPolarHBondContact O-CG 3.38Å; R332-E336 PolarHBondContact O-N 3.33Å; R334-E336 VanDerWaalsContact C-N 3.34Å; R334-E336 PolarHBondContact O-N 3.46Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R339 IonicContact OE1-CZ 3.22Å; E336-R339 IonicContact OE1-NH1 3.6Å; E336-R339 PolarHBondContact OE1-NH1 3.3Å; E336-R339 IonicContact OE2-CZ 3.47Å; E336-R339 IonicContact OE2-NH1 2.79Å; E336-R339 PolarHBondContact OE2-NH1 2.96Å; E336-R339 IonicContact OE2-NH2 3.59Å; E336-R339 PolarHBondContact OE2-NH2 3.44Å; E336-E340 WeakPolarHBondContact O-CB 3.4Å; E336-E340 PolarHBondContact O-N 3.4Å
337M94.8Very high94.4Very high121 Ų121113.6 Ų113.660%0.59653%0.532SS*.Hα-helixtrans-61.8-45177-68.8-174-64.400113.1K333 R334 F335 R339 L341K333-M337 WeakPolarHBondContact O-CG 3.19Å; K333-M337 PolarHBondContact O-N 3.42Å; R334-M337 HydrophobicContact CB-CE 4.4Å; R334-M337 HydrophobicContact CG-CE 4.45Å; R334-M337 PolarHBondContact O-N 3.03Å; F335-M337 PolarHBondContact O-N 3.09Å; M337-R339 VanDerWaalsContact C-N 3.35Å; M337-L341 WeakPolarHBondContact O-CB 3.5Å; M337-L341 PolarHBondContact O-N 3.24Å
338F97Very high94.1Very high97 Ų97114.3 Ų114.343%0.42553%0.53SS..Hα-helixtrans-68.3-35.3177.7-83.7-76000112L327 I329 R334 F335 N342L327-F338 HydrophobicContact CD2-CD1 4.47Å; I329-F338 HydrophobicContact CD1-CB 3.55Å; I329-F338 HydrophobicContact CD1-CD2 3.81Å; I329-F338 HydrophobicContact CD1-CG 3.8Å; I329-F338 HydrophobicContact CG1-CD2 4.47Å; I329-F338 HydrophobicContact CG2-CD2 4.28Å; R334-F338 HydrophobicContact CG-CD2 3.85Å; R334-F338 HydrophobicContact CG-CE2 3.71Å; R334-F338 VanDerWaalsContact O-CD2 3.31Å; R334-F338 WeakPolarHBondContact O-CD2 3.46Å; R334-F338 PolarHBondContact O-N 3.36Å; R334-F338 VanDerWaalsContact O-N 3.14Å; F335-F338 PolarHBondContact O-N 3.04Å; F338-N342 WeakPolarHBondContact O-CB 3.46Å; F338-N342 PolarHBondContact O-N 2.94Å
339R94.7Very high93.8Very high100 Ų100109.5 Ų109.538%0.37751%0.513SS..Hα-helixtrans-62.7-50.2175.1-170.2-170.476.1-138.1-10.3110.6F335 E336 M337 L341 N342 E343F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 2.99Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R339 IonicContact OE1-CZ 3.22Å; E336-R339 IonicContact OE1-NH1 3.6Å; E336-R339 PolarHBondContact OE1-NH1 3.3Å; E336-R339 IonicContact OE2-CZ 3.47Å; E336-R339 IonicContact OE2-NH1 2.79Å; E336-R339 PolarHBondContact OE2-NH1 2.96Å; E336-R339 IonicContact OE2-NH2 3.59Å; E336-R339 PolarHBondContact OE2-NH2 3.44Å; M337-R339 VanDerWaalsContact C-N 3.35Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.06Å; R339-N342 PolarHBondContact O-N 2.92Å; R339-E343 WeakPolarHBondContact CG-OE1 3.23Å; R339-E343 IonicContact NE-OE1 3.01Å; R339-E343 PolarHBondContact NE-OE1 2.95Å; R339-E343 WeakPolarHBondContact O-CG 3.37Å; R339-E343 PolarHBondContact O-N 3.41Å
340E95.1Very high93.1Very high136 Ų136107.9 Ų107.964%0.63651%0.508SS*.Hα-helixtrans-59.2-43.6178.2-175.7176.9-173.900111.8E336 E343 A344E336-E340 WeakPolarHBondContact O-CB 3.4Å; E336-E340 PolarHBondContact O-N 3.4Å; E340-E343 PolarHBondContact O-N 3.32Å; E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.93Å
341L95.6Very high92.3Very high100 Ų100103.6 Ų103.652%0.52450%0.497SS..Hα-helixtrans-62.4-43.9175.6-17963.1000112.2M337 R339 A344 L345M337-L341 WeakPolarHBondContact O-CB 3.5Å; M337-L341 PolarHBondContact O-N 3.24Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.06Å; L341-A344 PolarHBondContact O-N 3.34Å; L341-L345 HydrophobicContact CG-CD1 4.31Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.44Å
342N95.1Very high91.5Very high85 Ų85103.9 Ų103.946%0.45550%0.495SS..Hα-helixtrans-63.3-45.7178.4-170.777000111.3F338 R339 A344 L345 E346F338-N342 WeakPolarHBondContact O-CB 3.46Å; F338-N342 PolarHBondContact O-N 2.94Å; R339-N342 PolarHBondContact O-N 2.92Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 2.94Å; N342-L345 PolarHBondContact O-N 3.36Å; N342-E346 PolarHBondContact ND2-OE1 2.78Å; N342-E346 WeakPolarHBondContact O-CG 3.44Å; N342-E346 PolarHBondContact O-N 2.65Å
343E92.8Very high90.3Very high99 Ų9997.4 Ų97.446%0.46348%0.477SS..Hα-helixtrans-59.5-40.4175.6-71.9173.4-173.100111.7R339 E340 L347R339-E343 WeakPolarHBondContact CG-OE1 3.23Å; R339-E343 IonicContact NE-OE1 3.01Å; R339-E343 PolarHBondContact NE-OE1 2.95Å; R339-E343 WeakPolarHBondContact O-CG 3.37Å; R339-E343 PolarHBondContact O-N 3.41Å; E340-E343 PolarHBondContact O-N 3.32Å; E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 3.01Å
344A94Very high88.7Confident51 Ų5194.1 Ų94.142%0.42147%0.465SS..Hα-helixtrans-67.1-37.5176.900000113.3E340 L341 N342 K348E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.93Å; L341-A344 PolarHBondContact O-N 3.34Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 2.94Å; A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.37Å
345L92.7Very high87.1Confident80 Ų8095 Ų9542%0.41947%0.474SS..Hα-helixtrans-67.4-45.7175.7-71.4172.5000111.3L341 N342 L347 K348 D349L341-L345 HydrophobicContact CG-CD1 4.31Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 3.44Å; N342-L345 PolarHBondContact O-N 3.36Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.95Å; L345-K348 WeakPolarHBondContact O-CB 3.31Å; L345-K348 PolarHBondContact O-N 3.41Å; L345-K348 VanDerWaalsContact O-N 3.09Å; L345-D349 PolarHBondContact O-N 3Å
346E89.8Confident85.1Confident98 Ų9895 Ų9546%0.45849%0.486SS..Hα-helixtrans-59.4-40.4175.6-72.4-176.7-165.700111.8N342 D349 A350N342-E346 PolarHBondContact ND2-OE1 2.78Å; N342-E346 WeakPolarHBondContact O-CG 3.44Å; N342-E346 PolarHBondContact O-N 2.65Å; E346-D349 PolarHBondContact O-N 2.96Å; E346-A350 WeakPolarHBondContact O-CB 3.41Å; E346-A350 PolarHBondContact O-N 3.12Å
347L87.1Confident82.9Confident108 Ų10894.9 Ų94.957%0.56550%0.502SS*.Hα-helixtrans-62.3-43.7173.8-76.1171.1000112E343 L345 D349 A350 H351E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 3.01Å; L345-L347 VanDerWaalsContact C-N 3.29Å; L345-L347 PolarHBondContact O-N 2.95Å; L347-D349 PolarHBondContact O-N 3.22Å; L347-A350 WeakPolarHBondContact O-CB 3.36Å; L347-A350 PolarHBondContact O-N 3.43Å; L347-H351 PolarHBondContact O-CD2 3.43Å; L347-H351 PolarHBondContact O-N 3.03Å
348K88.3Confident80.8Confident137 Ų13796.2 Ų96.260%0.59651%0.512SS*.Hα-helixtrans-63.6-41.2178.7-176.8-175141.6-167.40111.7A344 L345 A350 H351 A352A344-K348 WeakPolarHBondContact O-CB 3.29Å; A344-K348 PolarHBondContact O-N 3.37Å; L345-K348 WeakPolarHBondContact O-CB 3.31Å; L345-K348 PolarHBondContact O-N 3.41Å; L345-K348 VanDerWaalsContact O-N 3.09Å; K348-A350 VanDerWaalsContact C-N 3.31Å; K348-H351 PolarHBondContact O-N 3.32Å; K348-A352 PolarHBondContact O-N 3.35Å
349D88.2Confident78.2Confident95 Ų9596.5 Ų96.551%0.50853%0.525SS..Hα-helixtrans-67.6-35.6177-65.3-23.5000111.3L345 E346 L347 H351 A352 T353L345-D349 PolarHBondContact O-N 3Å; E346-D349 PolarHBondContact O-N 2.96Å; L347-D349 PolarHBondContact O-N 3.22Å; D349-H351 VanDerWaalsContact C-N 3.33Å; D349-H351 PolarHBondContact O-N 3.14Å; D349-A352 PolarHBondContact O-N 3.25Å; D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å
350A82.2Confident75.6Confident17 Ų17103.6 Ų103.614%0.1455%0.552CS.*Hα-helixtrans-60.7-42.5173.300000111.8K288 E346 L347 K348K288-A350 HydrophobicContact CD-CB 4.32Å; K288-A350 VanDerWaalsContact NZ-CA 3.27Å; K288-A350 PolarHBondContact NZ-O 3.33Å; E346-A350 WeakPolarHBondContact O-CB 3.41Å; E346-A350 PolarHBondContact O-N 3.12Å; L347-A350 WeakPolarHBondContact O-CB 3.36Å; L347-A350 PolarHBondContact O-N 3.43Å; K348-A350 VanDerWaalsContact C-N 3.31Å
351H78.6Confident72.8Confident131 Ų131101 Ų10161%0.60655%0.554SS**Hα-helixtrans-72-39.2176.5-77.9-71.9000114L347 K348 D349 T353 E354 E355L347-H351 PolarHBondContact O-CD2 3.43Å; L347-H351 PolarHBondContact O-N 3.03Å; K348-H351 PolarHBondContact O-N 3.32Å; D349-H351 VanDerWaalsContact C-N 3.33Å; D349-H351 PolarHBondContact O-N 3.14Å; H351-T353 PolarHBondContact O-N 3.3Å; H351-E354 PolarHBondContact O-N 2.89Å; H351-E355 PolarHBondContact O-N 3.4Å
352A77.9Confident70.1Confident52 Ų52105.6 Ų105.643%0.4357%0.572SS.*Hα-helixtrans-64.4-30.9-18000000112.8K348 D349 E354 S356K348-A352 PolarHBondContact O-N 3.35Å; D349-A352 PolarHBondContact O-N 3.25Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-S356 PolarHBondContact O-N 3.03Å
353T69.3Low67.2Low64 Ų64107.8 Ų107.839%0.39359%0.594SS.*Hα-helixtrans-63.3-40.7175.7-54.90000111.2D349 H351 S356D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å; H351-T353 PolarHBondContact O-N 3.3Å; T353-S356 PolarHBondContact O-OG 3.25Å; T353-S356 VanDerWaalsContact O-OG 3.06Å
354E62Low64.7Low116 Ų116108 Ų10854%0.54261%0.607SS.*Hα-helixtrans-68.2-41.9179.6-67.4-7812100111.9H351 A352 S356 G357H351-E354 PolarHBondContact O-N 2.89Å; A352-E354 VanDerWaalsContact C-N 3.33Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 3.11Å; E354-G357 PolarHBondContact O-N 3.02Å
355E60.2Low61.9Low149 Ų149115.1 Ų115.170%0.69662%0.624SS**Hα-helixtrans-69.2-30.3179.5-67.9-169.7162.800113H351 G357 S359H351-E355 PolarHBondContact O-N 3.4Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.33Å; E355-S359 WeakPolarHBondContact O-CB 3.49Å; E355-S359 PolarHBondContact O-OG 3.36Å
356S56.7Low59.5Low96 Ų96119.7 Ų119.767%0.67165%0.648SS**Hα-helixtrans-74.7-20.6-179.878.20000114.1A352 T353 E354A352-S356 PolarHBondContact O-N 3.03Å; T353-S356 PolarHBondContact O-OG 3.25Å; T353-S356 VanDerWaalsContact O-OG 3.06Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 3.11Å
357G48.6Very low57.2Low60 Ų60124.1 Ų124.162%0.61967%0.666SS**Hα-helixtrans-83.5-34.2-177.600000114.8E354 E355E354-G357 PolarHBondContact O-N 3.02Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.33Å
358D50.4Low55Low150 Ų150125.7 Ų125.780%0.80268%0.68SS**Hα-helixtrans-101.4-4.7-175.1-99.9-15.8000114.3R360D358-R360 PolarHBondContact O-N 2.92Å; D358-R360 VanDerWaalsContact O-N 3.12Å
359S42.8Very low52.9Low102 Ų102129.1 Ų129.171%0.71370%0.695SS**THydrogen-bonded Turntrans-77.76.8-174.3-67.80000115.6E355E355-S359 WeakPolarHBondContact O-CB 3.49Å; E355-S359 PolarHBondContact O-OG 3.36Å
360R39.5Very low50.7Low250 Ų250134.9 Ų134.994%0.94372%0.716SS**THydrogen-bonded Turntrans-101.72.8-175-125.5178.1-158.7169.76.6116.4D358D358-R360 PolarHBondContact O-N 2.92Å; D358-R360 VanDerWaalsContact O-N 3.12Å
361A37.2Very low48.5Very low80 Ų80137.2 Ų137.266%0.66174%0.741SS**SBendtrans-148.964.4-177.700000113.6
362H38.3Very low46.6Very low197 Ų197140 Ų14091%0.91276%0.755SS**SBendtrans-168.915.2151.1-118.1-73.5000119
363S35Very low44.6Very low131 Ų131142.9 Ų142.992%0.91677%0.771SS**  trans-108.780.3176.61750000112.1
364S40.6Very low43.4Very low104 Ų104146.5 Ų146.573%0.72779%0.793SS**  trans-140139.2157.476.80000110
365Y35.4Very low42.5Very low200 Ų200146.2 Ų146.278%0.78480%0.804SS**  trans75.284.3171.2-87.2-92.7000118.9
366L41.7Very low41.7Very low176 Ų176150.6 Ų150.692%0.92182%0.815SS**  trans-14595.4131.1-79.8-176.1000109.9T368L366-T368 PolarHBondContact O-N 3.42Å
367K41.9Very low41.3Very low191 Ų191154.7 Ų154.783%0.8382%0.823SS**  trans-71.3114.8166.8-92.6175.5173.2169.40108.8K369K367-K369 PolarHBondContact O-N 3.13Å
368T40.8Very low41.2Very low142 Ų142160.9 Ų160.987%0.87183%0.833SS**  trans-68.4113.1165.629.40000110.2L366L366-T368 PolarHBondContact O-N 3.42Å
369K43.3Very low40.9Very low208 Ų208162.9 Ų162.990%0.90483%0.834SS**  trans-117.393.3161.9-148.7178.3-175.5-176.90107.7K367 G371K367-K369 PolarHBondContact O-N 3.13Å; K369-G371 PolarHBondContact O-N 2.83Å
370K41.6Very low40.8Very low217 Ų217164.6 Ų164.694%0.94384%0.841SS**  trans-79.4107.3175-172.7170.6-178.61760107.6
371G37Very low41.3Very low66 Ų66162 Ų16268%0.6884%0.841SS**  trans-145.2103179.100000110.7K369K369-G371 PolarHBondContact O-N 2.83Å
372Q38.1Very low42Very low190 Ų190164 Ų16489%0.88885%0.845SS**  trans62.1109.4148.1-129.6165.510.100119.7
373S36.2Very low42.7Very low111 Ų111164.4 Ų164.478%0.77684%0.844SS**  trans-64.6129.7163.7510000112.4
374T44.5Very low43.5Very low140 Ų140167.5 Ų167.586%0.85984%0.841SS**  trans-142.7125.8147530000109.5
375S43Very low44Very low110 Ų110169.1 Ų169.177%0.76985%0.846SS**  trans-72.2140.8172.6560000111
376R43.2Very low45.1Very low242 Ų242162.5 Ų162.591%0.91384%0.839SS**  trans-169.7112.4148.9-105.4162.4-169-148.83.8111.8
377H47.7Very low46.2Very low181 Ų181160.3 Ų160.384%0.83884%0.835SS**  trans15.5123.1147.3-60-84.4000120.1
378K46.3Very low46.8Very low191 Ų191158.6 Ų158.683%0.8384%0.835SS**  -178.5122116.2-111.9168.2174.2170.70114.2
379K45.6Very low47.4Very low192 Ų192157.2 Ų157.284%0.83583%0.831SS**  trans56114.6137.9-71.8-178.7174.9-176.30121
380T39.9Very low47.8Very low138 Ų138158.7 Ų158.785%0.84785%0.849SS**  trans-47.1136.4154.9-18.90000113.1
381M49.1Very low48.2Very low194 Ų194155.8 Ų155.896%0.95684%0.844SS**  trans-112.4115.4161.7-112.8-168.9173.300109.4
382V53.6Low48.7Very low122 Ų122160.5 Ų160.574%0.73985%0.853SS**  trans-79.2127.7172.51690000108.3K384V382-K384 PolarHBondContact O-N 3.34Å
383K51.6Low49.3Very low207 Ų207158.8 Ų158.890%0.985%0.851SS**  trans-73.7109.5168.9-173.5172.8-179.5175.20108.1
384K52.7Low50.1Low195 Ų195161.6 Ų161.685%0.84886%0.855SS**  trans-105.1127.4171.8-130.7178.5-176.2-178.90108.8V382V382-K384 PolarHBondContact O-N 3.34Å
385V50.7Low50.5Low138 Ų138163 Ų16384%0.83686%0.855SS**PPolyproline II helixtrans-62.9129.9173.9177.10000108.8
386G58.2Low51Low61 Ų61166.5 Ų166.563%0.62986%0.861SS**PPolyproline II helixtrans-98141.8165.900000109.6
387P65.4Low51.5Low131 Ų131161.1 Ų161.185%0.85186%0.857SS**PPolyproline II helixtrans-85.1159.1177.135.5-31.5000112
388D53.6Low51.8Low154 Ų154159.6 Ų159.682%0.82486%0.859SS**PPolyproline II helixtrans-58.9163.3171.8-96.8-45.2000115
389S54.2Low52.3Low113 Ų113157 Ų15779%0.7986%0.861SS**  trans78.4121.2162.9-47.80000114.6
390D52.6Low52.9Low239 Ų239153.8 Ų153.8100%1.27886%0.863SS**  cis-146.2029.8-117.8-27.6000110.1

Retrieved 390 of 390 residues in 197.8 ms (Link to these results)