A0A096MUT3_PAPAN Loading...

Thioredoxin domain-containing protein 2

Probably plays a regulatory role in sperm development. May participate in regulation of fibrous sheath (FS) assembly by supporting the formation of disulfide bonds during sperm tail morphogenesis. May also be required to rectify incorrect disulfide pairing and generate suitable pairs between the FS constituents. Can reduce disulfide bonds in vitro in the presence of NADP and thioredoxin reductase.

AlphaFold DB , UniProt , Accession A0A096MUT3, Species PAPAN (Papio anubis, Olive baboon), Gene TXNDC2, Length 418 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low44.2Very low240 Ų240153.7 Ų153.7100%1.18281%0.808SS**  0105.30-76.8179.8177.100107.1
2D40.3Very low44.5Very low149 Ų149153.5 Ų153.580%0.79782%0.817SS**  trans-54.3167.6154.9-44.3-103.8000109.4
3V40.8Very low45.2Very low116 Ų116156.7 Ų156.770%0.70382%0.819SS**  cis-148.517619.7-143.80000109.9
4D45.1Very low45Very low125 Ų125152.6 Ų152.667%0.66882%0.82SS**  trans58.5112.9148.6-65.1-42.3000120.6
5K58.9Low44.6Very low217 Ų217147.7 Ų147.794%0.94382%0.819SS**  -144.8135.6115-126.4172.8-174.7177.90112.9
6V42.1Very low44.9Very low113 Ų113144.6 Ų144.669%0.68582%0.819SS**  trans-111.7130.8-164.6167.20000111.6
7L40.3Very low45.5Very low133 Ų133143.9 Ų143.970%0.69682%0.821SS**  trans36.1111145.4-160.590.4000120.2M9L7-M9 HydrophobicContact CD2-CG 3.88Å; L7-M9 HydrophobicContact CD2-SD 4.1Å; L7-M9 HydrophobicContact CG-CG 3.98Å
8V47.8Very low45.2Very low139 Ų139140.4 Ų140.484%0.84282%0.822SS**  trans-141.3103141.9-177.70000105.1
9M41Very low45.1Very low140 Ų140143.9 Ų143.969%0.6983%0.826SS**  56.483.873.4-68.2-160.974.400114.9L7L7-M9 HydrophobicContact CD2-CG 3.88Å; L7-M9 HydrophobicContact CD2-SD 4.1Å; L7-M9 HydrophobicContact CG-CG 3.98Å
10E45Very low45.3Very low192 Ų192142.1 Ų142.190%0.89782%0.82SS**  trans-131.8140.2148.8-114.4-172.3118.600110.4
11T39.4Very low44.8Very low127 Ų127142.6 Ų142.678%0.77982%0.815SS**  trans-126.9106.2-17144.40000110.6
12V47.5Very low44.2Very low151 Ų151137.8 Ų137.892%0.91579%0.791SS**PPolyproline II helixtrans-88.3140.3173-174.40000109.7
13K54.2Low44Very low195 Ų195140.9 Ų140.985%0.84879%0.791SS**PPolyproline II helixtrans-100.7127.3-155.4-178.1179.3176.8-1780112.3
14A42.1Very low44.2Very low100 Ų100143.6 Ų143.683%0.82680%0.801SS**PPolyproline II helixtrans-64.5145.5172.300000112
15G38.7Very low43.8Very low79 Ų79141.3 Ų141.381%0.81481%0.808SS**  trans-146.8122.6177.300000111.8
16A50.3Low43.1Very low98 Ų98136.8 Ų136.881%0.8180%0.803SS**  trans-162.6168.6177.900000109.2
17P53.8Low42.9Very low132 Ų132140.2 Ų140.286%0.85781%0.812SS**  cis-117.2160.4-40.936-25.5000111.3
18G40.4Very low43Very low82 Ų82142.1 Ų142.185%0.84582%0.817SS**  trans-121.7111.2-176.100000115
19K44.2Very low42.6Very low206 Ų206143.3 Ų143.390%0.89681%0.814SS**  trans-151.9146.6158.6-122-177.9-179.5178.60106.6
20P48.9Very low42.4Very low108 Ų108141.4 Ų141.470%0.70181%0.81SS**  -147.7-179.870.540.2-21.8000116.6
21E34.1Very low42.1Very low153 Ų153138.4 Ų138.472%0.71580%0.8SS**  trans79136.1143.4-105.9179.379.400124.3
22M33.8Very low41.9Very low138 Ų138141.2 Ų141.268%0.6880%0.804SS**  trans64.6152.4160.4-67-154.1-103.300117.9
23R36.3Very low41.3Very low214 Ų214137.8 Ų137.881%0.80880%0.799SS**  cis-144.3154.615.5-150.9177.7-166.693.5-2.8111.8
24L43.6Very low40.5Very low173 Ų173136.6 Ų136.691%0.90680%0.802SS**  trans-70.3148.7163.4-78.8161.6000110.6
25G36.8Very low40.4Very low78 Ų78136.1 Ų136.180%0.80480%0.799SS**  trans-15795.7173.800000111
26S45.1Very low40.7Very low122 Ų122140 Ų14085%0.85380%0.801SS**  trans-82.9140.1164.3-55.40000108.9
27Q38.5Very low40.1Very low185 Ų185143.7 Ų143.786%0.86480%0.801SS**  trans-146.2143.7158.1-151.2163.1-24.200111.6
28E41.3Very low39.7Very low173 Ų173143.2 Ų143.281%0.80880%0.801SS**  trans-100.3-158.6-177.3-157172.5114.700109.3
29E40.6Very low39.7Very low164 Ų164144 Ų14477%0.76679%0.793SS**  trans81.8100.6-174.8-50.9-167.1135.100113.7
30T36.6Very low39.5Very low100 Ų100141.7 Ų141.761%0.61379%0.79SS**  cis76.9110.845.476.90000115.5
31N37.3Very low39.2Very low129 Ų129144.9 Ų144.969%0.6980%0.796SS**  171.2127.5124.1-79.9-4.7000109.5
32E36.8Very low39.5Very low185 Ų185143.9 Ų143.986%0.86480%0.799SS**  55.9127.1104.7-55.5-175.3116.400115
33G34.8Very low39.7Very low79 Ų79144.1 Ų144.181%0.81480%0.803SS**  cis-144-165.5-6.900000108.9
34D36.1Very low40.1Very low171 Ų171139.4 Ų139.491%0.91480%0.803SS**  cis-149.5-172.319.7-152.8-67.1000109.7
35A40.7Very low39.9Very low90 Ų90136 Ų13674%0.74479%0.793SS**  trans-88.5149.7-160.900000117.1
36N44.5Very low40.3Very low161 Ų161140.1 Ų140.186%0.86180%0.797SS**  -137157.3129.371.9-8.8000111.5
37E38.3Very low40Very low174 Ų174140.5 Ų140.581%0.81379%0.794SS**  trans-100.8134-168.9-173.8-158.214300111.8
38S44.4Very low40.2Very low122 Ų122137 Ų13785%0.85379%0.787SS**  trans-154.6138140.7-165.60000109.9
39S40.8Very low40.1Very low99 Ų99136.9 Ų136.969%0.69279%0.791SS**  trans-87.4148-165-76.80000114.8
40L39.6Very low40Very low158 Ų158137 Ų13783%0.82780%0.796SS**  trans-48.7144.6169.3-56.2166.3000112.6
41Q44.2Very low40.1Very low175 Ų175136.3 Ų136.382%0.81880%0.801SS**  -142.7123.4120.7-69-157.617.400110.3
42V39.3Very low40Very low131 Ų131137.7 Ų137.779%0.79481%0.807SS**  trans-101.7122.5164.4172.70000107.1
43L38.9Very low40.1Very low144 Ų144137 Ų13775%0.75480%0.804SS**  trans-127.7120168.1-74177.6000109.9
44S43.1Very low40.3Very low115 Ų115142.5 Ų142.580%0.80481%0.806SS**  trans-90.3130.5168175.80000109.1
45S40.4Very low40.3Very low101 Ų101141.7 Ų141.771%0.70680%0.8SS**  trans-156.1117.916957.30000111.6
46N45.5Very low39.9Very low164 Ų164144.6 Ų144.688%0.87780%0.804SS**  trans-60.7134.4170.2-70-27000111.5
47V37.6Very low39.7Very low131 Ų131142.3 Ų142.379%0.79480%0.796SS**  trans-138138.3158.41790000106.4
48P43.2Very low39.8Very low110 Ų110140.9 Ų140.971%0.71480%0.798SS**  trans-96.5165.8-146.237-38.2000116.1L50P48-L50 PolarHBondContact O-N 3.5Å
49L40Very low39.6Very low171 Ų171143.6 Ų143.690%0.89580%0.798SS**  trans-54.9130.3154.9-76.9162.8000110.2
50L38.8Very low39.7Very low167 Ų167143.7 Ų143.787%0.87480%0.804SS**  trans-98.2107.6156.7-81.5172.4000108.3P48P48-L50 PolarHBondContact O-N 3.5Å
51A37.4Very low39.8Very low86 Ų86145.3 Ų145.371%0.71181%0.805SS**  trans-67.2143.6158.900000108.7
52L35.9Very low39.7Very low157 Ų157145.3 Ų145.382%0.82281%0.805SS**  trans-122.977.5173.5-147.4171.2000107.9F54L52-F54 HydrophobicContact CD2-CD2 4.13Å
53E39.1Very low39.7Very low172 Ų172148.1 Ų148.180%0.80481%0.806SS**  trans-72.9128.4171.5-64.7-171.1151.500109.8
54F37.9Very low39.8Very low194 Ų194145.4 Ų145.485%0.85180%0.804SS**  trans-142.697.8150-99.6-74.4000109.2L52L52-F54 HydrophobicContact CD2-CD2 4.13Å
55L36.5Very low39.5Very low153 Ų153149.6 Ų149.680%0.80181%0.808SS**  trans-65.3139146.1-74.3159.7000107.5
56D33.1Very low39.5Very low151 Ų151151.6 Ų151.681%0.80781%0.811SS**  -156.6165.6103-137.9-27.6000113.2
57T39.7Very low39.2Very low114 Ų114149 Ų14970%0.69980%0.803SS**  trans-93.4135.9-174.9-54.80000110.8
58V40.4Very low39Very low143 Ų143151.5 Ų151.587%0.86781%0.808SS**  trans-128.9144.9161.9-156.60000110.5
59Q40.5Very low39Very low179 Ų179152.7 Ų152.784%0.83681%0.813SS**  trans-79.5156.5-158-62.9174.9-2.300114.6
60A43.4Very low38.9Very low101 Ų101148.8 Ų148.884%0.83580%0.8SS**  trans-55.5142.5161.700000111.6
61K40.4Very low38.9Very low192 Ų192149.7 Ų149.784%0.83580%0.799SS**  trans-136.792.2156.6-166.7154.9-168162.30111.3
62E42.1Very low38.9Very low175 Ų175152.1 Ų152.182%0.81881%0.805SS**  trans-48.8135.6164.1-173.7-168125.100110.8
63K40.6Very low38.8Very low191 Ų191154.3 Ų154.383%0.8381%0.809SS**  trans-147.1106.4163-125.7-174.1179-170.90109
64A41Very low38.8Very low86 Ų86154 Ų15471%0.71181%0.807SS**  trans-60.1139.317800000111.5
65F36.1Very low39.1Very low203 Ų203152.3 Ų152.389%0.8980%0.804SS**  trans-118.1116.8165.1-154.3-88.2000107.7
66L39.3Very low39.4Very low143 Ų143150.5 Ų150.575%0.74980%0.801SS**  trans-80.1147-175.7-72.3170000111.3M68L66-M68 PolarHBondContact O-N 3.35Å
67P41.1Very low39.5Very low111 Ų111149.3 Ų149.372%0.72180%0.799SS**  trans-75.7120.8178.630.5-33.9000111.3V69P67-V69 HydrophobicContact CB-CG2 4.5Å; P67-V69 PolarHBondContact O-N 2.7Å
68M32.8Very low39.4Very low182 Ų182152.7 Ų152.790%0.89781%0.807SS**  trans-8890.1170.2-78.6-90.4-7700109.9L66L66-M68 PolarHBondContact O-N 3.35Å
69V43.1Very low39Very low135 Ų135154.5 Ų154.582%0.81881%0.806SS**  trans-98.2101.2173.1-179.40000109.8P67P67-V69 HydrophobicContact CB-CG2 4.5Å; P67-V69 PolarHBondContact O-N 2.7Å
70S38.3Very low38.8Very low89 Ų89151 Ų15162%0.62280%0.802SS**  trans-171.3109.2157.954.40000112.9
71H37.3Very low38.2Very low187 Ų187149.8 Ų149.887%0.86680%0.799SS**  trans-157.191.9135.5-100.6-54.9000110.2F73H71-F73 PolarHBondContact O-N 3.46Å
72T37.5Very low38.2Very low136 Ų136145.4 Ų145.483%0.83480%0.798SS**PPolyproline II helixtrans-65.9120.3172-46.40000109.6H74T72-H74 PolarHBondContact O-N 2.97Å
73F34.3Very low38.5Very low203 Ų203142.7 Ų142.789%0.8980%0.796SS**PPolyproline II helixtrans-72.7122.9170.4-104.4-96.2000110H71H71-F73 PolarHBondContact O-N 3.46Å
74H39.6Very low38.2Very low167 Ų167141.6 Ų141.677%0.77379%0.794SS**PPolyproline II helixtrans-91121-177.5-162.8-55.1000109.9T72T72-H74 PolarHBondContact O-N 2.97Å
75M43.5Very low37.8Very low158 Ų158145.9 Ų145.978%0.77880%0.799SS**PPolyproline II helixtrans-77.6134.1168.3-66.8-96.868.200109.5
76P44.3Very low37.7Very low114 Ų114139.7 Ų139.774%0.7479%0.792SS**PPolyproline II helixtrans-99.8127.8167.633.6-26.9000111
77T34.3Very low37.5Very low127 Ų127140.5 Ų140.578%0.77980%0.797SS**  trans-116.7120.3166.3-58.50000108.6
78E36.5Very low37.2Very low184 Ų184142.7 Ų142.786%0.8680%0.803SS**  trans21.3127.2155-51.2-173.6162.800120.8
79E32.1Very low37.4Very low181 Ų181141.2 Ų141.285%0.84680%0.798SS**  -156145.1118.5-133.6-153.896.700114
80S38.1Very low38.1Very low107 Ų107139.1 Ų139.175%0.74879%0.787SS**  trans33.4130.8140.7-162.40000123.1
81G30.5Very low37.9Very low75 Ų75144.1 Ų144.177%0.77380%0.798SS**  trans169.8109159.900000115.5
82A39.5Very low37.7Very low99 Ų99140.5 Ų140.582%0.81879%0.793SS**  trans-156.2173.7174.700000109.9
83P49Very low37.6Very low118 Ų118139.6 Ų139.677%0.76679%0.793SS**  cis-129.6178-6.442.6-28.2000114.2
84Q34.6Very low37.6Very low169 Ų169133.4 Ų133.479%0.7978%0.779SS**  trans-178126.6140.4-100.4-176.7-50.100107.9
85E32.4Very low37.2Very low175 Ų175133.5 Ų133.582%0.81879%0.785SS**  94.112162.6-169.5172.8-143.300111.8
86G32.7Very low36.6Very low73 Ų73131.5 Ų131.575%0.75378%0.782SS**  trans149.4121.4-178.900000114.4
87D35.3Very low36Very low160 Ų160132 Ų13286%0.85679%0.788SS**  trans-80.2154.5-169.8-48.5-93.4000115.7
88D35.5Very low36.1Very low157 Ų157134.1 Ų134.184%0.8479%0.789SS**  -173167.8102.4-130.3-42.3000114.1
89L37.2Very low36.7Very low152 Ų152130.5 Ų130.580%0.79678%0.781SS**  trans-129.8-170.4-170.7-116.173.7000111.4
90P57.7Low36.7Very low91 Ų91130.4 Ų130.459%0.59178%0.778SS**  cis-134.6-176.3-4134.4-16.9000114.2
91K34.3Very low36.4Very low194 Ų194133.5 Ų133.584%0.84378%0.781SS**  trans114.4140.4156.4-65.2155.1-172.8166.80113.9
92S33.3Very low36.5Very low110 Ų110133 Ų13377%0.76978%0.776SS**  cis-161.9-179-11.958.60000107.7
93S33.9Very low36.4Very low117 Ų117135.6 Ų135.682%0.81878%0.776SS**  cis-152.7-167.313.4-157.80000111.7
94A34.6Very low35.8Very low73 Ų73137.1 Ų137.160%0.60378%0.776SS**  trans-88.2154.8-171.400000115.9
95N32.3Very low36.1Very low169 Ų169135.2 Ų135.290%0.90478%0.778SS**  -163.6141.9107-95.2-32.1000112.1
96T30.4Very low36Very low117 Ų117135.5 Ų135.572%0.71878%0.777SS**  trans-123.1137.1-174.4-59.70000110.9
97S31.9Very low35.9Very low123 Ų123137.2 Ų137.286%0.8678%0.777SS**  trans-142114.3166.5-760000111.5
98H35.4Very low36.5Very low172 Ų172135.3 Ų135.380%0.79677%0.774SS**  trans-145.2172.4176-78.7-46.2000107.4
99P49.5Very low36.7Very low108 Ų108136.7 Ų136.770%0.70178%0.775SS**  cis-117.7-1742.727.1-3000111.2
100K32.8Very low36.4Very low180 Ų180137.7 Ų137.778%0.78378%0.776SS**  -172.3168.251.7-74.5-178.7-177.9-178.20107.8
101Q32.5Very low35.1Very low171 Ų171138.9 Ų138.980%0.79978%0.781SS**  cis-171137.2-22.7169.9174.3-5.500105.7
102G30.8Very low35.1Very low66 Ų66137.1 Ų137.168%0.6878%0.78SS**  trans175138.3178.800000110.6
103D37.4Very low35.2Very low152 Ų152140.4 Ų140.481%0.81378%0.783SS**  trans-95.8161.9-155.2-64.6-88.6000116
104I36.5Very low35.7Very low150 Ų150139.5 Ų139.577%0.76977%0.774SS**  trans-98.1137.7-173.6-75.2166.1000109.7
105P42.4Very low35.5Very low129 Ų129141.6 Ų141.684%0.83878%0.78SS**  -139170.3106.426.6-6.5000115.4
106K29.7Very low35.5Very low182 Ų182142.5 Ų142.579%0.79178%0.779SS**  trans-100.3161.7-169.1-58.1174.3174.7-179.70113.5
107S31Very low35.5Very low108 Ų108140.7 Ų140.776%0.75578%0.783SS**  trans65.9167.6139.263.20000119.2
108P47Very low35.6Very low121 Ų121142.7 Ų142.779%0.78678%0.784SS**  cis-120.2-173.9-10.825.8-3.7000113.3
109E39.5Very low35.4Very low186 Ų186141.8 Ų141.887%0.86978%0.784SS**  trans-120.3118.4165.6-175.6174122.100109.4
110E31.9Very low34.3Very low173 Ų173141.5 Ų141.581%0.80878%0.783SS**  trans-141.2130.7159.4-79.3-168.59300105.9
111T29.4Very low34.1Very low115 Ų115142 Ų14271%0.70679%0.785SS**  89.3139.352.3-53.70000112.6
112I34Very low34.3Very low157 Ų157139 Ų13981%0.80578%0.783SS**  trans85.5143.4175.5-40.7-171.4000117.3
113Q36.1Very low35Very low179 Ų179141.4 Ų141.484%0.83679%0.787SS**  trans-89.5-153.2177.2-40.2177.4-15.800109.9
114P43.8Very low34.7Very low99 Ų99142.8 Ų142.864%0.64379%0.788SS**  cis-142.9-157.416.743.1-19.7000115.8
115T30.8Very low34.5Very low117 Ų117142.2 Ų142.272%0.71878%0.782SS**  trans69.4153159.745.50000117.5
116E32.7Very low33.8Very low187 Ų187141.7 Ų141.787%0.87478%0.777SS**  cis-158.1169.87.6-135.2162.9-145.700110.5
117G31.3Very low33.7Very low79 Ų79137.4 Ų137.481%0.81476%0.763SS**  trans130.9121.4158.300000118
118D33.2Very low33.8Very low165 Ų165139.7 Ų139.788%0.88276%0.761SS**  trans-95.3-178.6-175.9-96.7-70.1000115.6
119I31.7Very low33.1Very low154 Ų154138.5 Ų138.579%0.7976%0.756SS**  trans10387.7153.8-48.4-172.1000118
120C25.4Very low32.8Very low102 Ų102137.8 Ų137.869%0.68975%0.75SS**  48.4127.3122.5-92.20000123.5
121K29.2Very low32.8Very low190 Ų190137 Ų13783%0.82674%0.744SS**  trans83.6119.2135.5-68.1178.5-178.6-176.10120.5
122S35.8Very low32.9Very low107 Ų107136.5 Ų136.575%0.74874%0.737SS**  trans-60.9165.5152.2-175.40000112
123P45.8Very low32.8Very low117 Ų117136.6 Ų136.676%0.7674%0.739SS**  -131.5153.1129.640-32.5000115
124E32Very low32.8Very low181 Ų181135.6 Ų135.685%0.84674%0.739SS**  trans-58.1171.1151.6-66.515772.900110.5
125E31.8Very low32.9Very low138 Ų138136 Ų13665%0.64574%0.741SS**  cis-140.8177.418.4-120.8-152.2102.600108.1N127E125-N127 PolarHBondContact OE1-ND2 2.69Å
126T27.6Very low33Very low118 Ų118139.1 Ų139.172%0.72475%0.745SS**  173.8132.384.3-61.50000111.6
127N28.3Very low32.9Very low92 Ų92135.9 Ų135.949%0.49274%0.743SS.*  trans5.9152.8138.2-56.3-77000120.2E125E125-N127 PolarHBondContact OE1-ND2 2.69Å
128Q32.3Very low33.2Very low156 Ų156137.3 Ų137.373%0.72974%0.74SS**  cis-176.4161.3-0.6-113.3172.544.600109.7
129S32.3Very low33.3Very low97 Ų97137.8 Ų137.868%0.67874%0.737SS**  trans65.4163.2152.8-770000117.4
130K33.1Very low33.5Very low170 Ų170138.9 Ų138.974%0.73974%0.739SS**  cis-164.4146.6-3.2-123.4175179.2174.90108.8
131K31.7Very low33.8Very low157 Ų157139.7 Ų139.768%0.68374%0.74SS**  trans58.9160.9142-72.5-175.1147.3-68.20118.6
132D31.7Very low34.2Very low105 Ų105137.9 Ų137.956%0.56174%0.738SS**  cis-154.6-179.4-11.8-100.9-24.4000107.1
133D32.8Very low34.2Very low159 Ų159141.9 Ų141.985%0.8574%0.742SS**  trans70119.2154.4-62.9-43.5000122.4
134L35.9Very low34Very low158 Ų158141.5 Ų141.583%0.82774%0.74SS**  trans-111.9138156.2177.265.4000104.6
135P46.5Very low34Very low106 Ų106142.6 Ų142.669%0.68874%0.742SS**  -163.8176.373.844.7-22.9000121.4
136K32.1Very low34.2Very low184 Ų184145.4 Ų145.480%0.876%0.755SS**  trans90.1144.5144.3-90173.9178.9179.30122
137S30.8Very low34.3Very low118 Ų118142.7 Ų142.783%0.82575%0.751SS**  trans67.7148.3165.226.30000117.6
138S37.4Very low34.5Very low109 Ų109146.2 Ų146.276%0.76277%0.77SS**  cis-152.9148.8-1.445.70000113.5
139E35.9Very low34.8Very low175 Ų175145.8 Ų145.882%0.81877%0.771SS**  trans3.9128.4141.4-176.6176.5-17900120.3
140E34.4Very low34.9Very low177 Ų177147 Ų14783%0.82778%0.776SS**  -154.5167.6125.9-138.4-170.6103.700111.3
141V33.2Very low35Very low119 Ų119148.5 Ų148.572%0.72178%0.783SS**  trans-138.1120-167.1174.70000112.2
142I36.9Very low35Very low152 Ų152146.6 Ų146.678%0.77979%0.789SS**  trans-137.3125.2164.8-56.5-177.6000112.1
143K34.8Very low35.1Very low191 Ų191147 Ų14783%0.8380%0.8SS**  trans-110.8159155.5-93.1-171.6178.9-174.30106.2
144P43.2Very low35.1Very low110 Ų110143.9 Ų143.971%0.71480%0.797SS**  cis-160.7-177.849.643.6-21.4000120.2
145K31.7Very low35.2Very low204 Ų204146.1 Ų146.189%0.88780%0.8SS**  trans89.5171.5140.3-94.6174.8180-174.50121.1
146E35.3Very low35Very low196 Ų196146.7 Ų146.792%0.91680%0.804SS**  trans-157.3154.2-141.6178.1-175.1163.600108.7
147G29.6Very low34.9Very low62 Ų62146.1 Ų146.164%0.63981%0.808SS**  trans113.8142.8-17100000111.2
148D32Very low35.2Very low166 Ų166148.7 Ų148.789%0.88881%0.807SS**  cis-145.41649.7-98.3-67000112.6
149I38.7Very low34.9Very low146 Ų146149.3 Ų149.375%0.74981%0.812SS**  trans-104.2136175.4-60.6167.5000110.5K151I149-K151 HydrophobicContact CG2-CG 4.31Å
150P35Very low34.7Very low122 Ų122150 Ų15079%0.79281%0.812SS**  trans-113.8130.2153.233.9-24.9000112.6
151K35.3Very low34.5Very low202 Ų202149.3 Ų149.388%0.87881%0.813SS**  trans-97.7130.5170.5-70.2177.4177176.20110.9I149I149-K151 HydrophobicContact CG2-CG 4.31Å
152S32.6Very low34.3Very low117 Ų117147.2 Ų147.282%0.81882%0.816SS**  trans-163.9120.4161.6-170.60000107.5
153S32.2Very low34.1Very low113 Ų113146.7 Ų146.779%0.7982%0.815SS**  cis104.1149.540.6-166.80000111.9
154A32.9Very low34.1Very low94 Ų94145.8 Ų145.878%0.77782%0.817SS**  trans70.1101.6175.700000120.3
155K38.1Very low33.8Very low205 Ų205146.3 Ų146.389%0.89182%0.82SS**  trans-79.6175.4132.3-80.9-178177.2177.90108.3
156P41.8Very low34Very low119 Ų119146.2 Ų146.277%0.77382%0.82SS**  cis-133.9179.56.443.2-27.6000115.4
157L31.8Very low33.9Very low171 Ų171142.2 Ų142.290%0.89581%0.814SS**  trans-154155.8148.2-115.2170.9000110.5
158Q35.4Very low34Very low172 Ų172144.7 Ų144.780%0.80482%0.821SS**  trans-121.9150.4177-71.2-170.9-6.400111.2
159S31.5Very low34.1Very low123 Ų123145.8 Ų145.886%0.8682%0.823SS**  trans-152.5170.9150.158.60000109.7
160K32.5Very low34Very low188 Ų188147.9 Ų147.982%0.81783%0.827SS**  trans-126.1167.7-162.6-63178.3177.3178.50112.8
161L30.1Very low34Very low163 Ų163147.9 Ų147.985%0.85383%0.827SS**  trans100.9124.1135.2-149.376.6000117.6
162G28.5Very low33.9Very low75 Ų75146.4 Ų146.477%0.77383%0.827SS**  trans174.7106.8169.600000110.7
163N33.2Very low33.9Very low142 Ų142149.7 Ų149.776%0.75983%0.829SS**  trans-107.4146.6177.3-47-73.7000109.9
164I35.2Very low34Very low172 Ų172149.7 Ų149.788%0.88283%0.829SS**  trans-170.4155.8158.5-105149.8000108.2
165P37.1Very low33.8Very low120 Ų120155.1 Ų155.178%0.77984%0.835SS**  -115.1-171.3-112.342.3-38.5000116.7
166K34.3Very low33.5Very low203 Ų203154.1 Ų154.188%0.88383%0.834SS**  trans-94.7140.8-179.5-57.7177.5178.9-177.50113.2
167S33.2Very low33Very low112 Ų112156.1 Ų156.178%0.78384%0.838SS**  trans-149.4115.1154.553.90000107.5
168S33.3Very low32.8Very low113 Ų113154.8 Ų154.879%0.7983%0.832SS**  71.592.361.5-64.60000114
169M33Very low32.5Very low189 Ų189151.9 Ų151.993%0.93183%0.83SS**  trans-152.5159134.7-108.3171.876.600109.9
170K37.6Very low33.3Very low191 Ų191151 Ų15183%0.8382%0.822SS**  trans-121.7156.4179.3-98-170.1173.6-173.20110
171P35.2Very low33.1Very low122 Ų122151.9 Ų151.979%0.79283%0.825SS**  trans-75.8161.1-177.432.5-36.6000112.9
172I32.5Very low33Very low171 Ų171149.2 Ų149.288%0.87782%0.821SS**  trans-111.5148168.6-65.4178.4000108.4
173Q32.8Very low34.1Very low185 Ų185150.1 Ų150.186%0.86481%0.813SS**  trans-96.1159.7-165.9-64.5174.2-53.100113.7
174S33.3Very low34Very low114 Ų114150.9 Ų150.980%0.79781%0.812SS**  trans-71.5159.6169.846.70000113.2
175K30.4Very low33.9Very low208 Ų208151.6 Ų151.690%0.90481%0.811SS**  trans-152.6127.7153.7-77.3-150.4172.5-158.40111.9
176E31.8Very low33.4Very low184 Ų184149.4 Ų149.486%0.8680%0.803SS**  trans-87.9162142.6-66.8166.796.800108.1
177D30Very low33.5Very low161 Ų161148 Ų14886%0.86180%0.803SS**  -174.7160.2115-132.1-37.3000114.1
178D28.7Very low33.4Very low143 Ų143151.3 Ų151.377%0.76581%0.806SS**  trans65.1155.8157.2-130.5-29000122.5
179S28.7Very low34.4Very low111 Ų111151.4 Ų151.478%0.77681%0.805SS**  trans-120.8-134.1178.6-145.70000107
180P47.6Very low34.4Very low104 Ų104151.3 Ų151.368%0.67580%0.799SS**  cis-121.2-178.8-25.341.1-27.8000113.2
181K27.8Very low34.3Very low206 Ų206149.8 Ų149.890%0.89680%0.795SS**  162.1145.6112.5-158.4155.6-172.5168.20114.4
182S28.8Very low34.2Very low108 Ų108147.2 Ų147.276%0.75579%0.79SS**  trans-83.6-177.2175.1-128.10000112.3
183P51.8Low34.3Very low93 Ų93145.8 Ų145.860%0.60479%0.785SS**  cis-132.5-147.69.734.7-8.7000112.8
184E30.1Very low34.4Very low159 Ų159143.8 Ų143.874%0.74378%0.778SS**  cis-163.7155.46.4-152.999.474.900111.3
185E33.1Very low34.9Very low187 Ų187142.9 Ų142.987%0.87477%0.77SS**  trans52.1159157.1-74.7-152129.200122.6
186A28Very low35Very low73 Ų73142.5 Ų142.560%0.60377%0.768SS**  cis-171.6-169.2-22.200000111.1
187I35.8Very low35Very low173 Ų173138.7 Ų138.789%0.88776%0.762SS**  trans97.8147.2167-54.1173000116.8
188Q31.5Very low36.1Very low182 Ų182136.6 Ų136.685%0.8576%0.757SS**  trans-118.6162.6-161.4-64.6-177.73.300114.9
189P53.4Low36.5Very low116 Ų116137.2 Ų137.275%0.75376%0.755SS**  trans-105.4172.2-176.741.2-36.4000115.4
190K34.3Very low36.9Very low187 Ų187140.2 Ų140.281%0.81376%0.757SS**  trans173.6160.1162-102.5159.2174.9-162.40111.4
191E35.2Very low36.2Very low158 Ų158138.9 Ų138.974%0.73876%0.755SS**  cis-158.6145.81.7-146.815794.100111.5
192G32Very low36.7Very low68 Ų68136.6 Ų136.670%0.70175%0.75SS**  trans57.3162.2147.300000124
193D35.5Very low37.7Very low141 Ų141137.1 Ų137.175%0.75475%0.751SS**  cis-171.5151.1-20.3-130.9-44.5000113
194I34.9Very low38.1Very low143 Ų143137.9 Ų137.973%0.73376%0.757SS**  trans62.5144.9147.8-85.5158.9000121.6
195P44.1Very low38.2Very low95 Ų95140.8 Ų140.862%0.61777%0.766SS**  cis-151-173-25.847.7-29.5000118
196K31.2Very low38.3Very low201 Ų201136.9 Ų136.987%0.87477%0.767SS**  trans89.7123.4145.4-80.9172.2-177177.10124.2
197S32Very low38.4Very low103 Ų103136.6 Ų136.672%0.7277%0.77SS**  trans-66.8-175.9156.1-121.40000113.2
198P52.8Low38.3Very low118 Ų118135.1 Ų135.177%0.76676%0.764SS**  cis-135.5-163.414.523.94.1000114.6
199E37.5Very low38.2Very low156 Ų156133.1 Ų133.173%0.72976%0.758SS**  cis-174.8150-40.2-172.8165.3128.700110.8
200E38.3Very low37.1Very low174 Ų174134.2 Ų134.281%0.81376%0.757SS**  trans56.1144.6161.9-82.1-151.6131.100128.9
201A31.6Very low37Very low75 Ų75134.5 Ų134.562%0.6276%0.758SS**  trans66.8114.8143.800000124.1
202I38Very low37.1Very low158 Ų158131.8 Ų131.881%0.8176%0.757SS**  74.9141.465.3-67172000113.4
203P50.3Low37.9Very low119 Ų119134.5 Ų134.577%0.77376%0.762SS**  cis-129.5-127.81.132.8-5.5000115.7
204P60Low37.7Very low110 Ų110135.4 Ų135.471%0.71476%0.762SS**  -135.1177.9-121.343.7-22.3000118.7
205K32.5Very low37.8Very low219 Ų219136.8 Ų136.895%0.95277%0.765SS**  trans-167.2173.5148.7-115.1160.6-172.9170.70115
206A35.6Very low37.1Very low106 Ų106135.6 Ų135.688%0.87676%0.763SS**  trans-117.7172.8-168.300000113.8
207G29.8Very low37.4Very low66 Ų66133.8 Ų133.868%0.6876%0.761SS**  trans152.3101.2160.500000118.1
208D32.9Very low37.5Very low143 Ų143137.3 Ų137.377%0.76577%0.767SS**  trans51.4123.1138.7-60-46.7000125.6
209I31.2Very low37.3Very low139 Ų139136.6 Ų136.671%0.71376%0.762SS**  50.6122.3124.7-47.5163.5000119.7
210L29.8Very low37Very low140 Ų140136.6 Ų136.673%0.73376%0.759SS**  177.7121.4118.5-94172.5000115.6
211K32.7Very low36.7Very low192 Ų192135.4 Ų135.484%0.83575%0.754SS**  trans58.2128.7144-70.3176.6-175.3175.20123.5
212S35.4Very low36.7Very low102 Ų102138.8 Ų138.871%0.71376%0.761SS**  trans-69.3-179153.7-40.90000113.2
213P48.7Very low36.3Very low125 Ų125138 Ų13881%0.81276%0.759SS**  -135.1147.111638.2-30.6000116.7
214E33.1Very low35.4Very low160 Ų160137 Ų13775%0.74875%0.754SS**  trans-42.9166149.6-98.3104.613100115.4
215E35.3Very low34.2Very low172 Ų172138.1 Ų138.180%0.80476%0.762SS**  cis-158.31693.4-141.7-170.7146.100113.5
216A31.3Very low34.2Very low70 Ų70136.8 Ų136.858%0.57976%0.756SS**  trans49.9128.7140.700000123.4
217I35.9Very low34.1Very low163 Ų163136 Ų13684%0.83674%0.744SS**  -173146.9104.2-90.5156000110.1
218Q35.1Very low34.7Very low177 Ų177138.7 Ų138.783%0.82775%0.749SS**  trans-140.7-172.1167.3-45.1-173.42.500108.6
219P47.9Very low34.6Very low102 Ų102139.9 Ų139.966%0.66275%0.751SS**  cis-133.8-168.8-13.627-2.3000113.9
220K30.8Very low34.7Very low156 Ų156141.4 Ų141.468%0.67876%0.755SS**  trans116.5130.9140.9-80.6167152.1-88.70121.4
221E32.1Very low34.7Very low150 Ų150139.6 Ų139.670%0.70175%0.753SS**  trans83.4122.8130.8-74.1162.2165.900124.5
222D31.4Very low34.7Very low145 Ų145138.4 Ų138.478%0.77575%0.754SS**  trans101.7167.4136.6-119.9-36.9000122.6
223N29.8Very low34.6Very low142 Ų142142 Ų14276%0.75976%0.76SS**  trans-92151.5-146-87-90.1000118
224S31.6Very low34.7Very low97 Ų97141 Ų14168%0.67875%0.754SS**  trans24136.1136.9-166.20000122.1
225P35.8Very low34.6Very low134 Ų134141.8 Ų141.887%0.8776%0.755SS**  trans-125.5167.2138.737.7-29.1000114.7
226K31.3Very low34.4Very low192 Ų192141.1 Ų141.184%0.83575%0.752SS**  trans-140.7133.9-162.4166.1-172.3172.9-1730113.1
227S33.8Very low34.3Very low89 Ų89141.4 Ų141.462%0.62276%0.761SS**  trans62.4166.5164.5-141.80000117.4
228P43.4Very low34.1Very low122 Ų122141.5 Ų141.579%0.79276%0.763SS**  -138.9168.586.740.1-26.9000117.2
229E31.5Very low34.1Very low169 Ų169140 Ų14079%0.7976%0.76SS**  trans-75.9-174.1167.5-74146.480.200112.2
230E32.4Very low33.7Very low171 Ų171140.4 Ų140.480%0.79976%0.762SS**  cis-149144.218.8-111.3-172107.700108.8
231S28.8Very low33.6Very low101 Ų101142 Ų14271%0.70677%0.769SS**  69.610279.3-1640000118.3
232I33.7Very low33.7Very low167 Ų167139.8 Ų139.886%0.85677%0.77SS**  trans-151.9141.6153.3-58-172.9000111.1
233Q33.6Very low34.3Very low178 Ų178139 Ų13983%0.83277%0.773SS**  trans-146.8-172.3159.2-51.2-172.4-0.300108.9
234P50.3Low34.5Very low105 Ų105140.8 Ų140.868%0.68278%0.777SS**  cis-132.6-156.3-15.337.9-17000113
235K31.3Very low34.4Very low176 Ų176145.1 Ų145.177%0.76579%0.786SS**  trans105.6154161.4-67.1-176.9168-103.80118.4
236E31.6Very low34.1Very low158 Ų158142.8 Ų142.874%0.73878%0.778SS**  cis-176.5146.9-23.7-177.5171.5168.500109.7
237G29.1Very low34.4Very low75 Ų75141 Ų14177%0.77378%0.776SS**  trans84.3145.9175.800000115.2
238D31.6Very low34.9Very low165 Ų165141.6 Ų141.688%0.88278%0.778SS**  cis-150.7169.317.9-140.3-36000112.4
239I34.4Very low34.8Very low147 Ų147141.4 Ų141.475%0.75478%0.777SS**  trans-131.6143.7179.4-34.3175.7000110
240P39Very low34.9Very low109 Ų109142.7 Ų142.771%0.70878%0.779SS**  -148.3132.9119.630.6-11.6000117.5
241K30.2Very low35Very low189 Ų189143.2 Ų143.282%0.82278%0.779SS**  trans73.9110.2133.8-65.1174.1-176.3175.60121.1
242S32.6Very low35.3Very low104 Ų104144.5 Ų144.573%0.72778%0.778SS**  trans-61163.7135.7-177.10000111.3
243P44.6Very low35.2Very low128 Ų128143.9 Ų143.983%0.83178%0.777SS**  -122140123.835.4-32.5000113.5
244E33.5Very low35.2Very low181 Ų181141.7 Ų141.785%0.84677%0.769SS**  trans-99.9136.1172.4172-170.7147.200109
245E30.7Very low34.2Very low188 Ų188144 Ų14488%0.87978%0.775SS**  trans-153.2125.6154.2-134.9-173.7151.300114.6
246A28.7Very low34.1Very low85 Ų85144.2 Ų144.270%0.70278%0.776SS**  trans44.5133.1144.700000123.3
247I37.5Very low34.3Very low154 Ų154142 Ų14279%0.7978%0.778SS**  trans-79.7153.3166.2-23.1177.7000109.9
248P45.1Very low35.1Very low102 Ų102144.6 Ų144.666%0.66278%0.781SS**  -144.6154.198.738.4-25.3000114.7
249P41.2Very low35.1Very low118 Ų118145.2 Ų145.277%0.76678%0.779SS**  trans-71.7148.3169.332.2-34.8000111
250K32.3Very low35.1Very low195 Ų195147.3 Ų147.385%0.84879%0.785SS**  trans-125.4136.4168.2-75.6-173.2175.3-179.70111.3
251K35.3Very low34.7Very low182 Ų182145.9 Ų145.979%0.79178%0.783SS**  trans-90.6-170.1163.7-68.2-179171.9-178.10109.1
252D34.3Very low34.9Very low128 Ų128143.6 Ų143.668%0.68478%0.784SS**  trans80.784.4154.4-46.7-40.3000116.3
253D33.3Very low35Very low154 Ų154147 Ų14782%0.82479%0.789SS**  -157112.1113.9-91.6-35.9000106.8
254I31.7Very low34.8Very low132 Ų132147 Ų14768%0.67779%0.789SS**  61.299.366.1-55.4175.8000112.3
255L29.4Very low34.9Very low154 Ų154148.5 Ų148.581%0.80679%0.792SS**  trans-164.295.8133.2-108.1169.5000113.5
256K30.9Very low35.2Very low181 Ų181149 Ų14979%0.78780%0.795SS**  trans41.9110.1145.1-66.6176.7-178.9176.60120.6
257S34Very low35.4Very low111 Ų111148.3 Ų148.378%0.77680%0.796SS**  trans-61.4162.8135.2-35.40000111.4
258P45.9Very low35.1Very low130 Ų130148.5 Ų148.584%0.84480%0.799SS**  trans-111113.1141.432.9-24.9000110.2
259E32.6Very low34.9Very low178 Ų178150.4 Ų150.483%0.83280%0.802SS**  trans-97.4128.9157.4-179-175.2145.900106.6
260E33.4Very low34.7Very low191 Ų191150.5 Ų150.589%0.89380%0.802SS**  trans-130.9125.2165.4-166172.9-159.700108.8
261A31.7Very low34.6Very low79 Ų79150.5 Ų150.565%0.65380%0.802SS**  trans-115.8133.9-171.400000110.9
262V34Very low34.6Very low141 Ų141146.5 Ų146.586%0.85580%0.797SS**  trans-131.9136.8167-176.40000109.3
263Q34.4Very low35.3Very low175 Ų175146.7 Ų146.782%0.81881%0.805SS**  trans-85161.2-171.8-75.1-178.90.100113.4
264P40Very low35.4Very low129 Ų129147.9 Ų147.984%0.83881%0.806SS**  trans-67.3165.4-179.129-37.8000113.6
265K35.9Very low35.5Very low211 Ų211150.8 Ų150.892%0.91782%0.817SS**  trans-137.4171.5173.6-74.5-167.9175.6-178.50112.1
266E38Very low35.7Very low200 Ų200146.8 Ų146.894%0.93581%0.806SS**  trans-125.4156.3-151.6-172.9-177.4142.100111.4
267G31.3Very low35.9Very low70 Ų70146 Ų14672%0.72281%0.808SS**  trans93.8151.8-177.300000113.9
268D33Very low35.9Very low158 Ų158148.9 Ų148.985%0.84581%0.81SS**  cis-151.8175.46.7-144.3-43.5000112
269I39.7Very low36.4Very low142 Ų142147.8 Ų147.873%0.72880%0.802SS**  trans-113.8138-170.5-58.4167.8000112.2
270P37.8Very low36.4Very low120 Ų120148.9 Ų148.978%0.77980%0.804SS**  trans-132.3112.4135.130.2-15.5000111.1
271K30.2Very low36.6Very low195 Ų195148.5 Ų148.585%0.84880%0.803SS**  68.412082.1-89.2-174.9173.1174.90115.5
272S35.3Very low36.7Very low98 Ų98152.4 Ų152.469%0.68581%0.813SS**  trans-62.9169.6164.8-166.10000112.2
273P48.7Very low36.4Very low131 Ų131152.2 Ų152.285%0.85181%0.807SS**  -126.6147.3113.136.9-32.7000114.7
274E36.1Very low36.2Very low180 Ų180147.9 Ų147.984%0.84180%0.796SS**  trans-119.7127.9173.3175.1-169.3142.700108.7
275E33.9Very low35.8Very low193 Ų193147.8 Ų147.890%0.90279%0.793SS**  trans-160151.9159.7-86.1-152.498.400108.3
276A32.6Very low35.7Very low69 Ų69146.9 Ų146.957%0.5779%0.789SS**  cis-172.6-173.8-20.300000108.7
277I35.9Very low35.5Very low164 Ų164142 Ų14284%0.84178%0.778SS**  trans88.8128.4160.6-53.4170.8000116.9
278Q33.1Very low36Very low173 Ų173145.3 Ų145.381%0.80878%0.783SS**  trans-115.5-158.8176.1-60.3177.3-2.500109.4
279P57.5Low36.1Very low106 Ų106146.5 Ų146.569%0.68878%0.784SS**  -119.8-172.8-78.136.9-21.6000111.3
280K31.7Very low36.4Very low201 Ų201148.4 Ų148.487%0.87479%0.789SS**  trans-165.5153.4142.2-110.4150.8-170.5172.30114.3
281E38.2Very low36.1Very low183 Ų183148.4 Ų148.486%0.85579%0.788SS**  trans-87.9153.3171-56.4144.211600109.9
282D33Very low37Very low162 Ų162146.1 Ų146.187%0.86678%0.783SS**  -164.2151127.6-133-28.5000115.2
283D28.3Very low37.4Very low136 Ų136147 Ų14773%0.72779%0.786SS**  trans40.3-171.2159.4-145.512.4000123.7
284S30.7Very low37.1Very low85 Ų85146.6 Ų146.659%0.59478%0.784SS**  trans-137.9-178.9-139.3-49.60000113.4
285T30.6Very low37.4Very low127 Ų127147.6 Ų147.678%0.77979%0.785SS**  trans83.799.4158.868.40000120.4
286K33.7Very low38.1Very low191 Ų191146.8 Ų146.883%0.8378%0.781SS**  48.2107.3110.6-173.8-132.7176.2-1740118.2
287S34.8Very low38.4Very low99 Ų99148.6 Ų148.669%0.69279%0.79SS**  -175.2150.9106-75.90000115.1
288V40.7Very low39Very low138 Ų138147.5 Ų147.584%0.83679%0.786SS**  trans-21.8132158.3-1780000116.9
289E36.4Very low39.5Very low184 Ų184146.5 Ų146.586%0.8678%0.784SS**  -152.5155.1126.1-164.9133.5100.800110.5
290E44.4Very low38.8Very low181 Ų181149.2 Ų149.285%0.84679%0.792SS**  trans-103.7117.2-178.8177.1-171.912800110
291T32.9Very low39.1Very low121 Ų121148.5 Ų148.574%0.74279%0.789SS**  trans-156.6121.8166.1-74.20000112.4
292I49.4Very low39.4Very low147 Ų147144.9 Ų144.975%0.75478%0.782SS**  trans14.9113.6148.8-46.6174.6000117.4
293P42.6Very low40.2Very low116 Ų116146.4 Ų146.475%0.75378%0.784SS**PPolyproline II helixtrans-78.5139.8160.932.6-32.5000111.5
294P42.6Very low41.2Very low122 Ų122147.7 Ų147.779%0.79279%0.785SS**PPolyproline II helixtrans-74.9164.2168.833-35000111.6
295K42.9Very low41.9Very low202 Ų202151.7 Ų151.788%0.87880%0.795SS**PPolyproline II helixtrans-73.4143.4162.9-57.4176.8-178.5178.80109.1
296E47.9Very low42.3Very low176 Ų176151.2 Ų151.282%0.82279%0.792SS**  173.1126.4117.7-166.6159.5107.800110.1
297S39.6Very low43.1Very low107 Ų107146.2 Ų146.275%0.74878%0.777SS**  trans-166.9104.6167.161.50000109I299S297-I299 PolarHBondContact O-N 2.64Å
298D47.1Very low43.7Very low141 Ų141150.3 Ų150.375%0.75479%0.785SS**  trans-61.9130.3179.7-71.1-72.8000112.5
299I43.8Very low44Very low152 Ų152150.6 Ų150.678%0.77978%0.776SS**  trans-128.2101.5157.1-60.5-178.5000106.2S297 K301S297-I299 PolarHBondContact O-N 2.64Å; I299-K301 PolarHBondContact O-N 3.19Å
300L42.6Very low44.8Very low163 Ų163146 Ų14685%0.85376%0.756SS**PPolyproline II helixtrans-57.3117.9171.5-68167.5000108.8
301K38.3Very low45.4Very low185 Ų185147.1 Ų147.180%0.80476%0.762SS**PPolyproline II helixtrans-80.7152.5166.8-103.9-174.5170.5-170.20109.4I299I299-K301 PolarHBondContact O-N 3.19Å
302P44.8Very low47.4Very low108 Ų108143.5 Ų143.570%0.70175%0.748SS**PPolyproline II helixtrans-57.3144.5165.8-20.232.9000110.6E304P302-E304 VanDerWaalsContact C-N 3.32Å; P302-E304 PolarHBondContact O-N 2.61Å
303E49.5Very low49.2Very low194 Ų194138.3 Ų138.391%0.90772%0.722SS**  trans-75.287.5172.4-68.2168.2-166.800108.2E305E303-E305 PolarHBondContact O-N 3.07Å; E303-E305 VanDerWaalsContact O-N 3.16Å
304E49Very low51.7Low162 Ų162137.2 Ų137.276%0.75771%0.71SS**  trans-57.3115163.4-66.9-88.3122.600107.2P302 T306P302-E304 VanDerWaalsContact C-N 3.32Å; P302-E304 PolarHBondContact O-N 2.61Å; E304-T306 PolarHBondContact O-N 2.89Å; E304-T306 PolarHBondContact O-OG1 2.61Å
305E46.9Very low54.3Low170 Ų170132.2 Ų132.279%0.79468%0.677SS**  trans-60.988.3178.4-173.1-178.9147.300108.7E303 T307E303-E305 PolarHBondContact O-N 3.07Å; E303-E305 VanDerWaalsContact O-N 3.16Å; E305-T307 VanDerWaalsContact C-N 3.34Å; E305-T307 PolarHBondContact O-N 3.21Å
306T38.5Very low57Low117 Ų117125.9 Ų125.972%0.71865%0.649SS**  trans-77.990.3-170.7-56.60000106.9E304 E308E304-T306 PolarHBondContact O-N 2.89Å; E304-T306 PolarHBondContact O-OG1 2.61Å; T306-E308 PolarHBondContact O-N 2.9Å
307T50.8Low59.3Low86 Ų86121.2 Ų121.253%0.52863%0.632SS.*  trans-53116.8168.242.80000107.5E305 F309E305-T307 VanDerWaalsContact C-N 3.34Å; E305-T307 PolarHBondContact O-N 3.21Å; T307-F309 WeakPolarHBondContact O-CD2 3.45Å; T307-F309 PolarHBondContact O-N 3.33Å
308E46.7Very low62.1Low185 Ų185116.2 Ų116.286%0.86460%0.598SS**  trans-66.688.3174.7-67.6-168.1-174.800108T306 L310T306-E308 PolarHBondContact O-N 2.9Å; E308-L310 PolarHBondContact O-N 2.57Å
309F48Very low64.5Low144 Ų144116.1 Ų116.163%0.63260%0.596SS**  trans-55.5122.2171.2-91.2-94.1000107.6T307 E311T307-F309 WeakPolarHBondContact O-CD2 3.45Å; T307-F309 PolarHBondContact O-N 3.33Å; F309-E311 PolarHBondContact O-N 3.47Å
310L52.8Low67.1Low86 Ų86110.9 Ų110.945%0.4557%0.573SS.*  trans-68.7100.6170.4-60.6176.6000106.7E308 G312 D313E308-L310 PolarHBondContact O-N 2.57Å; L310-G312 PolarHBondContact O-N 2.95Å; L310-D313 PolarHBondContact O-N 3.15Å
311E55.7Low69.7Low206 Ų206105.6 Ų105.696%0.96354%0.543SS*.THydrogen-bonded Turntrans-66.675-176.6-65.1-173.4127.600111.5F309F309-E311 PolarHBondContact O-N 3.47Å
312G75.4Confident72.6Confident44 Ų44103.1 Ų103.145%0.45454%0.535SS..THydrogen-bonded Turntrans148.622.8-178.900000116.8L310 M360L310-G312 PolarHBondContact O-N 2.95Å; G312-M360 WeakPolarHBondContact O-CE 3.28Å
313D88.6Confident75.1Confident38 Ų38100 Ų10020%0.20351%0.512CS..  trans-72.7164.1167.476.173.7000112.8L310 V315 H356 M360L310-D313 PolarHBondContact O-N 3.15Å; D313-V315 WeakPolarHBondContact OD1-CB 3.29Å; D313-V315 PolarHBondContact OD1-N 3.08Å; D313-H356 HydrophobicContact CB-CB 3.97Å; D313-H356 WeakPolarHBondContact CB-CE1 3.46Å; D313-H356 IonicContact OD1-CE1 2.7Å; D313-H356 PolarHBondContact OD1-CE1 2.89Å; D313-H356 IonicContact OD1-ND1 3.85Å; D313-H356 PolarHBondContact OD1-ND1 2.87Å; D313-H356 IonicContact OD1-NE2 2.68Å; D313-H356 CovalentContact OD2-CE1 1.77Å; D313-H356 IonicContact OD2-CE1 3.92Å; D313-H356 PolarHBondContact OD2-CE1 2.81Å; D313-H356 IonicContact OD2-CG 2.76Å; D313-H356 IonicContact OD2-ND1 2.87Å; D313-H356 PolarHBondContact OD2-ND1 2.89Å; D313-H356 IonicContact OD2-NE2 2.7Å; D313-H356 PolarHBondContact OD2-NE2 2.62Å; D313-M360 HydrophobicContact CB-CG 4.5Å
314N94.6Very high77.4Confident94 Ų9491.3 Ų91.350%0.50347%0.471SS..  trans-110.727.9-179.7-63.8-52.1000112.1S359N314-S359 PolarHBondContact N-OG 3.4Å; N314-S359 PolarHBondContact ND2-O 3.46Å
315V97.9Very high79.8Confident17 Ų1787.4 Ų87.410%0.10345%0.453CS..EExtended strand (participates in β ladder)trans-88.5119-178.7-174.80000110.4D313 V317 F355 H356 F367 E369D313-V315 WeakPolarHBondContact OD1-CB 3.29Å; D313-V315 PolarHBondContact OD1-N 3.08Å; V315-V317 PolarHBondContact O-N 3.39Å; V315-F355 HydrophobicContact CG1-CD1 4.36Å; V315-F355 HydrophobicContact CG1-CE1 3.91Å; V315-F355 HydrophobicContact CG2-CD1 4.12Å; V315-F355 HydrophobicContact CG2-CE1 4.22Å; V315-H356 HydrophobicContact CG2-CB 4.35Å; V315-F367 HydrophobicContact CG2-CB 4.09Å; V315-E369 HydrophobicContact CG1-CB 3.8Å
316K97.8Very high82.2Confident69 Ų6981.5 Ų81.530%0.343%0.433SS..EExtended strand (participates in β ladder)trans-84.2113172.5-178.4-177.7175-174.40110.1I318 D323 S327 F367 L368 E369K316-I318 HydrophobicContact CD-CD1 4.22Å; K316-I318 HydrophobicContact CG-CD1 4.35Å; K316-I318 PolarHBondContact O-N 3.33Å; K316-D323 VanDerWaalsContact CE-OD1 3.25Å; K316-D323 WeakPolarHBondContact CE-OD1 3.11Å; K316-D323 WeakPolarHBondContact CE-OD2 3.43Å; K316-D323 IonicContact NZ-OD1 1.77Å; K316-D323 PolarHBondContact NZ-OD1 2.87Å; K316-D323 IonicContact NZ-OD2 2.67Å; K316-S327 WeakPolarHBondContact CE-OG 3.31Å; K316-S327 PolarHBondContact NZ-OG 2.78Å; K316-F367 PolarHBondContact N-O 2.81Å; K316-L368 HydrophobicContact CB-CD2 3.84Å; K316-L368 HydrophobicContact CD-CD2 4.25Å; K316-L368 HydrophobicContact CG-CD2 4.41Å; K316-L368 VanDerWaalsContact O-CA 3.3Å; K316-L368 WeakPolarHBondContact O-CA 3.35Å; K316-E369 PolarHBondContact O-N 2.93Å
317V97.9Very high85.1Confident77 Ų7776.1 Ų76.147%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-69.2127.5167.6-177.50000109.4V315 L319V315-V317 PolarHBondContact O-N 3.39Å; V317-L319 HydrophobicContact CG1-CD2 4Å
318I98.4Very high87.3Confident3 Ų372.8 Ų72.82%0.01538%0.379CS..  trans-92.5131.7178.1-63.6-57.8000109.7K316 S320 F324 S327 L368 E369 V370K316-I318 HydrophobicContact CD-CD1 4.22Å; K316-I318 HydrophobicContact CG-CD1 4.35Å; K316-I318 PolarHBondContact O-N 3.33Å; I318-S320 WeakPolarHBondContact CG2-O 3.36Å; I318-F324 HydrophobicContact CG1-CD2 4.3Å; I318-F324 HydrophobicContact CG2-CB 3.85Å; I318-F324 HydrophobicContact CG2-CD2 4.33Å; I318-S327 WeakPolarHBondContact CD1-OG 3.5Å; I318-L368 HydrophobicContact CD1-CD1 4.21Å; I318-L368 HydrophobicContact CD1-CD2 4.15Å; I318-L368 HydrophobicContact CG1-CB 4.09Å; I318-L368 HydrophobicContact CG1-CD1 4.37Å; I318-E369 WeakPolarHBondContact CB-O 3.03Å; I318-E369 PolarHBondContact N-O 3.4Å; I318-V370 HydrophobicContact CB-CG2 3.96Å; I318-V370 HydrophobicContact CG1-CG2 4.09Å; I318-V370 HydrophobicContact CG2-CG2 4.25Å
319L96.8Very high89.8Confident138 Ų13868.8 Ų68.872%0.72336%0.359SS*.  trans-117.5-7.1-176.1-58.6178.3000114.3V317V317-L319 HydrophobicContact CG1-CD2 4Å
320S97.9Very high92.1Very high42 Ų4268.7 Ų68.729%0.29436%0.361SS..SBendtrans-16017117287.50000111.8I318 E322 D323 F324I318-S320 WeakPolarHBondContact CG2-O 3.36Å; S320-E322 VanDerWaalsContact CB-OE2 3.24Å; S320-E322 WeakPolarHBondContact CB-OE2 3.28Å; S320-E322 PolarHBondContact OG-N 3Å; S320-E322 PolarHBondContact OG-OE2 3.28Å; S320-D323 PolarHBondContact O-N 2.94Å; S320-D323 PolarHBondContact OG-N 3.07Å; S320-F324 PolarHBondContact O-N 3.21Å
321K97.6Very high94.2Very high52 Ų5265 Ų6523%0.22634%0.342CS..Hα-helixtrans-64.2-38.5174.5176170.2170.6171.70113D323 F324 E325 E377 V378 D381K321-D323 VanDerWaalsContact C-N 3.28Å; K321-D323 PolarHBondContact O-N 3Å; K321-F324 WeakPolarHBondContact O-CB 3.32Å; K321-F324 PolarHBondContact O-N 3.21Å; K321-E325 WeakPolarHBondContact O-CB 3.31Å; K321-E325 PolarHBondContact O-N 3.28Å; K321-E377 HydrophobicContact CD-CG 3.94Å; K321-E377 WeakPolarHBondContact CD-OE1 3.37Å; K321-E377 IonicContact NZ-OE1 3.32Å; K321-E377 PolarHBondContact NZ-OE1 2.85Å; K321-V378 HydrophobicContact CB-CG2 3.97Å; K321-D381 WeakPolarHBondContact CE-OD2 3.28Å; K321-D381 IonicContact NZ-OD2 2.72Å; K321-D381 PolarHBondContact NZ-OD2 3.44Å
322E98.2Very high96.2Very high134 Ų13456.8 Ų56.863%0.62631%0.313SS*.Hα-helixtrans-63.6-37.3175.6-57.180.3-178.600111.3S320 A326S320-E322 VanDerWaalsContact CB-OE2 3.24Å; S320-E322 WeakPolarHBondContact CB-OE2 3.28Å; S320-E322 PolarHBondContact OG-N 3Å; S320-E322 PolarHBondContact OG-OE2 3.28Å; E322-A326 WeakPolarHBondContact O-CB 3.26Å; E322-A326 PolarHBondContact O-N 3.29Å
323D98.1Very high97.1Very high42 Ų4261.5 Ų61.523%0.22532%0.323CS..Hα-helixtrans-71.7-36.8175.8-17046.6000112.3K316 S320 K321 S327K316-D323 VanDerWaalsContact CE-OD1 3.25Å; K316-D323 WeakPolarHBondContact CE-OD1 3.11Å; K316-D323 WeakPolarHBondContact CE-OD2 3.43Å; K316-D323 IonicContact NZ-OD1 1.77Å; K316-D323 PolarHBondContact NZ-OD1 2.87Å; K316-D323 IonicContact NZ-OD2 2.67Å; S320-D323 PolarHBondContact O-N 2.94Å; S320-D323 PolarHBondContact OG-N 3.07Å; K321-D323 VanDerWaalsContact C-N 3.28Å; K321-D323 PolarHBondContact O-N 3Å; D323-S327 WeakPolarHBondContact O-CB 3.4Å; D323-S327 PolarHBondContact O-N 3.34Å; D323-S327 PolarHBondContact O-OG 3.1Å
324F98.5Very high97.6Very high12 Ų1264.9 Ų64.95%0.05333%0.333CS..Hα-helixtrans-60-54.9170.8-172.8-112000111.6I318 S320 K321 A326 S327 L328 V338 F340 L368 V370 V378 Y393I318-F324 HydrophobicContact CG1-CD2 4.3Å; I318-F324 HydrophobicContact CG2-CB 3.85Å; I318-F324 HydrophobicContact CG2-CD2 4.33Å; S320-F324 PolarHBondContact O-N 3.21Å; K321-F324 WeakPolarHBondContact O-CB 3.32Å; K321-F324 PolarHBondContact O-N 3.21Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.93Å; F324-S327 WeakPolarHBondContact O-CB 3.2Å; F324-S327 PolarHBondContact O-N 3.48Å; F324-S327 VanDerWaalsContact O-N 3.13Å; F324-L328 HydrophobicContact CD1-CD1 4.17Å; F324-L328 HydrophobicContact CE1-CD1 3.71Å; F324-L328 HydrophobicContact CE1-CG 4.45Å; F324-L328 HydrophobicContact CZ-CD1 4.07Å; F324-L328 PolarHBondContact O-N 2.89Å; F324-L328 VanDerWaalsContact O-N 3.07Å; F324-V338 HydrophobicContact CE2-CG1 3.95Å; F324-V338 HydrophobicContact CE2-CG2 4.03Å; F324-V338 HydrophobicContact CZ-CG2 4.45Å; F324-F340 HydrophobicContact CE2-CZ 4.4Å; F324-F340 HydrophobicContact CZ-CZ 4.25Å; F324-L368 HydrophobicContact CD2-CD1 4.25Å; F324-L368 HydrophobicContact CE2-CD1 4.21Å; F324-V370 HydrophobicContact CD2-CG2 4.27Å; F324-V370 HydrophobicContact CE2-CG2 4.35Å; F324-V378 HydrophobicContact CB-CG1 4.17Å; F324-V378 HydrophobicContact CB-CG2 4.31Å; F324-V378 HydrophobicContact CD1-CG1 3.6Å; F324-V378 HydrophobicContact CD2-CG1 3.96Å; F324-V378 HydrophobicContact CE1-CG1 3.89Å; F324-V378 HydrophobicContact CE2-CG1 4.24Å; F324-V378 HydrophobicContact CG-CG1 3.63Å; F324-V378 HydrophobicContact CZ-CG1 4.2Å; F324-Y393 HydrophobicContact CZ-CE2 4.09Å; F324-Y393 AromaticContact CZ-CZ 3.89Å
325E98.1Very high97.8Very high79 Ų7960.4 Ų60.437%0.36931%0.31SS..Hα-helixtrans-59.1-42.7177.8-78.9-168.2-139.700112.3K321 S327 L328 K329K321-E325 WeakPolarHBondContact O-CB 3.31Å; K321-E325 PolarHBondContact O-N 3.28Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 2.95Å; E325-L328 PolarHBondContact O-N 2.96Å; E325-K329 WeakPolarHBondContact O-CB 3.46Å; E325-K329 VanDerWaalsContact O-CD 3.27Å; E325-K329 WeakPolarHBondContact O-CD 3.4Å; E325-K329 VanDerWaalsContact O-CG 3.28Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.09Å; E325-K329 VanDerWaalsContact O-N 3.09Å; E325-K329 IonicContact OE2-NZ 3.45Å; E325-K329 PolarHBondContact OE2-NZ 3.16Å
326A98.4Very high97.8Very high46 Ų4659.8 Ų59.838%0.3831%0.305SS..Hα-helixtrans-62.1-39.1176.500000111.7E322 F324 K329 E330E322-A326 WeakPolarHBondContact O-CB 3.26Å; E322-A326 PolarHBondContact O-N 3.29Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.93Å; A326-K329 PolarHBondContact O-N 2.95Å; A326-E330 VanDerWaalsContact O-CB 3.31Å; A326-E330 WeakPolarHBondContact O-CB 3.37Å; A326-E330 PolarHBondContact O-N 3.37Å
327S98.1Very high97.8Very high5 Ų556.5 Ų56.54%0.03529%0.291CS..Hα-helixtrans-66.2-41.3178.4-55.10000112.5K316 I318 D323 F324 E325 K329 E330 A331K316-S327 WeakPolarHBondContact CE-OG 3.31Å; K316-S327 PolarHBondContact NZ-OG 2.78Å; I318-S327 WeakPolarHBondContact CD1-OG 3.5Å; D323-S327 WeakPolarHBondContact O-CB 3.4Å; D323-S327 PolarHBondContact O-N 3.34Å; D323-S327 PolarHBondContact O-OG 3.1Å; F324-S327 WeakPolarHBondContact O-CB 3.2Å; F324-S327 PolarHBondContact O-N 3.48Å; F324-S327 VanDerWaalsContact O-N 3.13Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 2.95Å; S327-K329 VanDerWaalsContact C-N 3.33Å; S327-E330 PolarHBondContact O-N 3.21Å; S327-A331 PolarHBondContact O-N 3.32Å
328L98.1Very high97.9Very high15 Ų1552.8 Ų52.88%0.07927%0.269CS..Hα-helixtrans-63-40.2174-65-179.5000111.6F324 E325 A331 V336 Y393 E396F324-L328 HydrophobicContact CD1-CD1 4.17Å; F324-L328 HydrophobicContact CE1-CD1 3.71Å; F324-L328 HydrophobicContact CE1-CG 4.45Å; F324-L328 HydrophobicContact CZ-CD1 4.07Å; F324-L328 PolarHBondContact O-N 2.89Å; F324-L328 VanDerWaalsContact O-N 3.07Å; E325-L328 PolarHBondContact O-N 2.96Å; L328-A331 PolarHBondContact O-N 2.85Å; L328-V336 HydrophobicContact CD2-CB 4.14Å; L328-V336 HydrophobicContact CD2-CG1 4.07Å; L328-V336 HydrophobicContact CD2-CG2 4.05Å; L328-Y393 HydrophobicContact CD1-CD1 4.17Å; L328-Y393 HydrophobicContact CD1-CE1 4.19Å; L328-Y393 HydrophobicContact CD2-CD1 4.18Å; L328-Y393 HydrophobicContact CD2-CD2 3.99Å; L328-Y393 HydrophobicContact CD2-CG 3.79Å; L328-E396 HydrophobicContact CB-CG 4.19Å
329K98Very high97.9Very high101 Ų10152.7 Ų52.744%0.43927%0.268SS..Hα-helixtrans-69.7-36.9177.9-70.8158.7-166.9168.50112.5E325 A326 S327 E396E325-K329 WeakPolarHBondContact O-CB 3.46Å; E325-K329 VanDerWaalsContact O-CD 3.27Å; E325-K329 WeakPolarHBondContact O-CD 3.4Å; E325-K329 VanDerWaalsContact O-CG 3.28Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.09Å; E325-K329 VanDerWaalsContact O-N 3.09Å; E325-K329 IonicContact OE2-NZ 3.45Å; E325-K329 PolarHBondContact OE2-NZ 3.16Å; A326-K329 PolarHBondContact O-N 2.95Å; S327-K329 VanDerWaalsContact C-N 3.33Å; K329-E396 WeakPolarHBondContact CE-OE2 3.43Å; K329-E396 HydrophobicContact CG-CG 4.12Å; K329-E396 VanDerWaalsContact CG-OE2 3.28Å; K329-E396 WeakPolarHBondContact CG-OE2 3.4Å
330E97.9Very high98Very high143 Ų14346.1 Ų46.167%0.66823%0.234SC*.Hα-helixtrans-75.1-24.6176.7-175.1173.4-169.300113.3A326 S327 R334A326-E330 VanDerWaalsContact O-CB 3.31Å; A326-E330 WeakPolarHBondContact O-CB 3.37Å; A326-E330 PolarHBondContact O-N 3.37Å; S327-E330 PolarHBondContact O-N 3.21Å; E330-R334 PolarHBondContact O-NH2 2.63Å; E330-R334 VanDerWaalsContact O-NH2 3.07Å
331A96.9Very high98Very high7 Ų744.3 Ų44.36%0.05822%0.222CC..Hα-helixtrans-65.1-39.1172.700000112.6S327 L328 E333 R334 V336 V366S327-A331 PolarHBondContact O-N 3.32Å; L328-A331 PolarHBondContact O-N 2.85Å; A331-E333 PolarHBondContact O-N 2.86Å; A331-R334 WeakPolarHBondContact O-CB 3.31Å; A331-R334 PolarHBondContact O-N 3.34Å; A331-R334 PolarHBondContact O-NE 3.43Å; A331-V336 HydrophobicContact CB-CG2 3.26Å; A331-V366 HydrophobicContact CB-CB 4.43Å; A331-V366 HydrophobicContact CB-CG2 3.91Å
332G96Very high98Very high35 Ų3541.9 Ų41.936%0.36121%0.211SC..THydrogen-bonded Turntrans68.4-110.5178.100000112.6K395G332-K395 PolarHBondContact O-N 3.19Å
333E96.1Very high97.9Very high142 Ų14240.4 Ų40.466%0.66421%0.211SC*.THydrogen-bonded Turntrans-91.3-8.8176.7-54.6-156.1116.400113.7A331 K395A331-E333 PolarHBondContact O-N 2.86Å; E333-K395 WeakPolarHBondContact OE1-CE 3.44Å; E333-K395 IonicContact OE1-NZ 2.61Å; E333-K395 PolarHBondContact OE1-NZ 3Å
334R97.7Very high97.8Very high109 Ų10946.2 Ų46.241%0.41123%0.23SC..SBendtrans-65.3150.6175.8-67.6-179.9-72.3171.7-2.1110.8E330 A331 V366E330-R334 PolarHBondContact O-NH2 2.63Å; E330-R334 VanDerWaalsContact O-NH2 3.07Å; A331-R334 WeakPolarHBondContact O-CB 3.31Å; A331-R334 PolarHBondContact O-N 3.34Å; A331-R334 PolarHBondContact O-NE 3.43Å; R334-V366 HydrophobicContact CB-CG2 4.41Å
335L98.5Very high97.8Very high1 Ų146 Ų461%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-65.1138165.1-175.467.1000109V365 V366 F392 K394 V399 L417 K418L335-V365 HydrophobicContact CB-CG1 4.11Å; L335-V365 HydrophobicContact CB-CG2 4.15Å; L335-V365 HydrophobicContact CD2-CG1 4.09Å; L335-V365 HydrophobicContact CD2-CG2 4.15Å; L335-V365 HydrophobicContact CG-CG1 4.11Å; L335-V365 WeakPolarHBondContact O-CA 3.48Å; L335-V365 WeakPolarHBondContact O-CG1 3.4Å; L335-V366 PolarHBondContact O-N 3.12Å; L335-F392 HydrophobicContact CD1-CB 4.28Å; L335-K394 HydrophobicContact CB-CG 4.48Å; L335-K394 HydrophobicContact CD1-CD 4.46Å; L335-K394 HydrophobicContact CD1-CG 4.07Å; L335-V399 HydrophobicContact CD1-CG2 4.38Å; L335-L417 HydrophobicContact CD1-CB 3.82Å; L335-L417 HydrophobicContact CD1-CD1 4.42Å; L335-L417 HydrophobicContact CD2-CB 3.95Å; L335-K418 HydrophobicContact CD2-CB 4.06Å
336V98.8Very high97.8Very high3 Ų343.5 Ų43.52%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-111.2129.1166.1-167.80000108.3L328 A331 V338 V366 L368 F392 Y393L328-V336 HydrophobicContact CD2-CB 4.14Å; L328-V336 HydrophobicContact CD2-CG1 4.07Å; L328-V336 HydrophobicContact CD2-CG2 4.05Å; A331-V336 HydrophobicContact CB-CG2 3.26Å; V336-V338 HydrophobicContact CG1-CG2 4.04Å; V336-V366 CarbonylContact C-O 3.52Å; V336-V366 VanDerWaalsContact CA-O 3.31Å; V336-V366 WeakPolarHBondContact CA-O 3.37Å; V336-V366 HydrophobicContact CG1-CB 4.24Å; V336-V366 HydrophobicContact CG1-CG1 4.28Å; V336-V366 HydrophobicContact CG2-CB 4.27Å; V336-L368 HydrophobicContact CG1-CD1 3.61Å; V336-L368 HydrophobicContact CG1-CG 3.7Å; V336-F392 CarbonylContact O-C 3.54Å; V336-F392 VanDerWaalsContact O-CA 3.28Å; V336-F392 WeakPolarHBondContact O-CA 3.38Å; V336-Y393 PolarHBondContact N-O 3.1Å; V336-Y393 PolarHBondContact O-N 3.38Å
337A98.7Very high97.8Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-109.9129169.800000108.9F355 V365 V366 F367 L368 F392 I414A337-F355 HydrophobicContact CB-CE2 4.18Å; A337-V365 HydrophobicContact CB-CG1 4.3Å; A337-V366 PolarHBondContact N-O 2.04Å; A337-F367 HydrophobicContact CB-CD1 4.26Å; A337-F367 HydrophobicContact CB-CE1 4.31Å; A337-F367 WeakPolarHBondContact O-CA 3.34Å; A337-L368 PolarHBondContact O-N 2.63Å; A337-F392 HydrophobicContact CB-CD1 3.87Å; A337-F392 HydrophobicContact CB-CE1 3.72Å; A337-I414 HydrophobicContact CB-CD1 4.43Å
338V98.8Very high97.8Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-120.9119-175.7-171.20000109.7F324 V336 F340 L368 V370 F390 Q391 Y393F324-V338 HydrophobicContact CE2-CG1 3.95Å; F324-V338 HydrophobicContact CE2-CG2 4.03Å; F324-V338 HydrophobicContact CZ-CG2 4.45Å; V336-V338 HydrophobicContact CG1-CG2 4.04Å; V338-F340 HydrophobicContact CB-CD2 4.38Å; V338-F340 HydrophobicContact CB-CE2 3.95Å; V338-F340 HydrophobicContact CG1-CD2 3.85Å; V338-F340 HydrophobicContact CG1-CE1 4.42Å; V338-F340 HydrophobicContact CG1-CE2 3.46Å; V338-F340 VanDerWaalsContact CG1-CE2 3.46Å; V338-F340 HydrophobicContact CG1-CG 4.49Å; V338-F340 HydrophobicContact CG1-CZ 3.79Å; V338-L368 WeakPolarHBondContact CA-O 3.39Å; V338-L368 HydrophobicContact CG1-CB 4.24Å; V338-L368 HydrophobicContact CG2-CB 4.21Å; V338-L368 HydrophobicContact CG2-CD1 4.12Å; V338-L368 HydrophobicContact CG2-CG 4.44Å; V338-V370 HydrophobicContact CG1-CG2 3.7Å; V338-F390 VanDerWaalsContact O-CA 3.28Å; V338-F390 WeakPolarHBondContact O-CA 3.43Å; V338-Q391 PolarHBondContact N-O 3.23Å; V338-Q391 PolarHBondContact O-N 3.28Å; V338-Q391 VanDerWaalsContact O-N 3.12Å; V338-Y393 HydrophobicContact CB-CE2 4.49Å; V338-Y393 HydrophobicContact CG2-CD2 3.9Å; V338-Y393 HydrophobicContact CG2-CE2 3.7Å
339D98.8Very high97.8Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-90108.5168.6-170-8.8000109.4S341 F355 L368 V370 F390D339-S341 PolarHBondContact O-N 3.32Å; D339-F355 HydrophobicContact CB-CD1 4.03Å; D339-F355 HydrophobicContact CB-CD2 4.22Å; D339-F355 HydrophobicContact CB-CE1 3.77Å; D339-F355 HydrophobicContact CB-CE2 3.98Å; D339-F355 HydrophobicContact CB-CG 4.25Å; D339-F355 HydrophobicContact CB-CZ 3.75Å; D339-L368 PolarHBondContact N-O 3.03Å; D339-V370 PolarHBondContact O-N 3.24Å; D339-F390 HydrophobicContact CB-CD1 4.07Å; D339-F390 HydrophobicContact CB-CE1 3.66Å
340F98.8Very high97.7Very high0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-85.2101.1167.1-68.8-88.1000108.7F324 V338 V370 V378 C382 I384 V387 P388 T389 Q391F324-F340 HydrophobicContact CE2-CZ 4.4Å; F324-F340 HydrophobicContact CZ-CZ 4.25Å; V338-F340 HydrophobicContact CB-CD2 4.38Å; V338-F340 HydrophobicContact CB-CE2 3.95Å; V338-F340 HydrophobicContact CG1-CD2 3.85Å; V338-F340 HydrophobicContact CG1-CE1 4.42Å; V338-F340 HydrophobicContact CG1-CE2 3.46Å; V338-F340 VanDerWaalsContact CG1-CE2 3.46Å; V338-F340 HydrophobicContact CG1-CG 4.49Å; V338-F340 HydrophobicContact CG1-CZ 3.79Å; F340-V370 WeakPolarHBondContact CA-O 3.46Å; F340-V370 HydrophobicContact CD1-CB 3.69Å; F340-V370 HydrophobicContact CD1-CG1 3.8Å; F340-V370 HydrophobicContact CD1-CG2 4.17Å; F340-V370 HydrophobicContact CE1-CB 3.91Å; F340-V370 HydrophobicContact CE1-CG1 3.86Å; F340-V370 HydrophobicContact CE1-CG2 3.93Å; F340-V370 HydrophobicContact CG-CB 4.43Å; F340-V370 HydrophobicContact CZ-CG2 4.43Å; F340-V378 HydrophobicContact CE1-CG1 4.03Å; F340-V378 HydrophobicContact CZ-CG1 4.41Å; F340-C382 HydrophobicContact CE1-CB 4.27Å; F340-C382 HydrophobicContact CE2-CB 4.44Å; F340-C382 HydrophobicContact CZ-CB 3.77Å; F340-I384 HydrophobicContact CB-CD1 4.23Å; F340-I384 HydrophobicContact CB-CG1 4.27Å; F340-I384 HydrophobicContact CB-CG2 4.03Å; F340-I384 HydrophobicContact CD1-CD1 4.06Å; F340-I384 HydrophobicContact CD1-CG1 3.68Å; F340-I384 HydrophobicContact CD2-CD1 3.43Å; F340-I384 VanDerWaalsContact CD2-CD1 3.43Å; F340-I384 HydrophobicContact CD2-CG1 4.02Å; F340-I384 HydrophobicContact CE1-CD1 4.24Å; F340-I384 HydrophobicContact CE1-CG1 3.9Å; F340-I384 HydrophobicContact CE2-CD1 3.64Å; F340-I384 HydrophobicContact CE2-CG1 4.23Å; F340-I384 HydrophobicContact CG-CD1 3.64Å; F340-I384 HydrophobicContact CG-CG1 3.73Å; F340-I384 HydrophobicContact CG-CG2 4.42Å; F340-I384 HydrophobicContact CZ-CD1 4.04Å; F340-I384 HydrophobicContact CZ-CG1 4.17Å; F340-V387 WeakPolarHBondContact O-CG1 3.31Å; F340-P388 VanDerWaalsContact O-CA 3.28Å; F340-P388 WeakPolarHBondContact O-CA 3.3Å; F340-T389 WeakPolarHBondContact CB-O 3.28Å; F340-T389 PolarHBondContact N-O 3.32Å; F340-T389 PolarHBondContact O-N 3.44Å; F340-Q391 HydrophobicContact CD2-CG 4.32Å; F340-Q391 HydrophobicContact CE2-CB 4.08Å; F340-Q391 HydrophobicContact CE2-CG 4Å
341S98.4Very high97.8Very high5 Ų542.6 Ų42.64%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-114.9175.8-165.2139.20000110.6D339 E369 V370 A372D339-S341 PolarHBondContact O-N 3.32Å; S341-E369 PolarHBondContact OG-OE1 3.31Å; S341-V370 PolarHBondContact N-O 2.92Å; S341-A372 VanDerWaalsContact O-CB 3.31Å; S341-A372 WeakPolarHBondContact O-CB 3.47Å; S341-A372 PolarHBondContact O-N 3.09Å
342A97.8Very high97.8Very high1 Ų145.1 Ų45.11%0.00823%0.231CC..  trans-155.1136.516900000110.5W344 C345 D371 V387A342-W344 VanDerWaalsContact C-N 3.31Å; A342-W344 HydrophobicContact CB-CD2 4.23Å; A342-W344 HydrophobicContact CB-CZ2 3.85Å; A342-W344 PolarHBondContact O-N 2.92Å; A342-C345 HydrophobicContact CB-CB 4.05Å; A342-C345 VanDerWaalsContact O-CB 3.28Å; A342-C345 WeakPolarHBondContact O-CB 3.39Å; A342-C345 PolarHBondContact O-N 3.5Å; A342-D371 WeakPolarHBondContact CA-OD2 3.18Å; A342-V387 HydrophobicContact CB-CG2 4.06Å
343T96Very high97.8Very high102 Ų10247 Ų4763%0.62624%0.237SC*.THydrogen-bonded Turntrans-51.1-43.1-178.756.90000114.6C345 R349 D371T343-C345 VanDerWaalsContact C-N 3.32Å; T343-C345 PolarHBondContact O-N 3.3Å; T343-R349 PolarHBondContact O-NH1 2.93Å; T343-D371 PolarHBondContact N-OD2 3.01Å
344W96.1Very high97.9Very high164 Ų16442.5 Ų42.562%0.62122%0.215SC*.THydrogen-bonded Turntrans-72.8-20.7-179.550-94.8000113.7A342 G346 R349 D373 V387A342-W344 VanDerWaalsContact C-N 3.31Å; A342-W344 HydrophobicContact CB-CD2 4.23Å; A342-W344 HydrophobicContact CB-CZ2 3.85Å; A342-W344 PolarHBondContact O-N 2.92Å; W344-G346 PolarHBondContact O-N 3.09Å; W344-R349 PolarHBondContact O-NH1 2.76Å; W344-D373 PolarHBondContact NE1-OD1 3.43Å; W344-D373 PolarHBondContact NE1-OD2 2.85Å; W344-V387 HydrophobicContact CH2-CG2 3.9Å; W344-V387 HydrophobicContact CZ2-CG2 4.41Å; W344-V387 HydrophobicContact CZ3-CG2 4.43Å
345C97.9Very high98Very high7 Ų737.4 Ų37.45%0.04720%0.196CC..  trans-72.8106.8-175.3165.80000112.8A342 T343 C348 R349 V387A342-C345 HydrophobicContact CB-CB 4.05Å; A342-C345 VanDerWaalsContact O-CB 3.28Å; A342-C345 WeakPolarHBondContact O-CB 3.39Å; A342-C345 PolarHBondContact O-N 3.5Å; T343-C345 VanDerWaalsContact C-N 3.32Å; T343-C345 PolarHBondContact O-N 3.3Å; C345-C348 HydrophobicContact CB-CB 3.66Å; C345-C348 WeakPolarHBondContact CB-SG 3.5Å; C345-C348 WeakPolarHBondContact O-CB 3.28Å; C345-C348 PolarHBondContact O-N 3.07Å; C345-C348 WeakPolarHBondContact SG-CB 3.49Å; C345-C348 PolarHBondContact SG-N 3.42Å; C345-C348 CovalentContact SG-SG 2.04Å; C345-C348 PolarHBondContact SG-SG 3.4Å; C345-R349 PolarHBondContact O-N 2.83Å; C345-R349 VanDerWaalsContact O-N 3.1Å; C345-V387 HydrophobicContact CB-CG2 3.97Å
346G98.1Very high97.9Very high28 Ų2838.1 Ų38.129%0.28920%0.199SC..Hα-helixtrans-56.9-45.617700000114.9W344 C348 R349 T350W344-G346 PolarHBondContact O-N 3.09Å; G346-C348 VanDerWaalsContact C-N 3.3Å; G346-C348 PolarHBondContact O-N 3.35Å; G346-R349 PolarHBondContact O-N 2.82Å; G346-T350 PolarHBondContact O-N 2.72Å; G346-T350 VanDerWaalsContact O-N 3.12Å; G346-T350 PolarHBondContact O-OG1 3.12Å
347P98.3Very high97.8Very high70 Ų7040 Ų4046%0.45522%0.215SC..Hα-helixtrans-59.8-37.7173.9-26.636.1000113.4T350 I351 A405P347-T350 WeakPolarHBondContact O-CB 2.88Å; P347-T350 PolarHBondContact O-N 2.91Å; P347-T350 VanDerWaalsContact O-N 3.13Å; P347-I351 PolarHBondContact O-N 2.93Å; P347-I351 VanDerWaalsContact O-N 3.13Å; P347-A405 HydrophobicContact CB-CB 3.96Å
348C98.4Very high97.7Very high2 Ų240.2 Ų40.21%0.01422%0.216CC..Hα-helixtrans-61.7-51.7176.9-520000110.4C345 G346 T350 I351 K352 P388C345-C348 HydrophobicContact CB-CB 3.66Å; C345-C348 WeakPolarHBondContact CB-SG 3.5Å; C345-C348 WeakPolarHBondContact O-CB 3.28Å; C345-C348 PolarHBondContact O-N 3.07Å; C345-C348 WeakPolarHBondContact SG-CB 3.49Å; C345-C348 PolarHBondContact SG-N 3.42Å; C345-C348 CovalentContact SG-SG 2.04Å; C345-C348 PolarHBondContact SG-SG 3.4Å; G346-C348 VanDerWaalsContact C-N 3.3Å; G346-C348 PolarHBondContact O-N 3.35Å; C348-T350 PolarHBondContact O-N 3.24Å; C348-T350 VanDerWaalsContact O-N 3.09Å; C348-I351 WeakPolarHBondContact O-CG2 3.28Å; C348-I351 PolarHBondContact O-N 2.92Å; C348-I351 VanDerWaalsContact O-N 3.11Å; C348-K352 WeakPolarHBondContact O-CB 3.36Å; C348-K352 PolarHBondContact O-N 2.7Å; C348-P388 HydrophobicContact CB-CB 4.37Å; C348-P388 WeakPolarHBondContact SG-CD 3.48Å
349R97.6Very high97.7Very high128 Ų12840.2 Ų40.248%0.48322%0.217SC..Hα-helixtrans-57.6-26.1173.9-61.5-164-58.1-79.51.3113.5T343 W344 C345 G346 P353T343-R349 PolarHBondContact O-NH1 2.93Å; W344-R349 PolarHBondContact O-NH1 2.76Å; C345-R349 PolarHBondContact O-N 2.83Å; C345-R349 VanDerWaalsContact O-N 3.1Å; G346-R349 PolarHBondContact O-N 2.82Å; R349-P353 WeakPolarHBondContact O-CD 3.31Å
350T97.3Very high97.6Very high90 Ų9045 Ų4555%0.55224%0.24SC*.Hα-helixtrans-81.2-26.8179.9-53.50000113.6G346 P347 C348 K407G346-T350 PolarHBondContact O-N 2.72Å; G346-T350 VanDerWaalsContact O-N 3.12Å; G346-T350 PolarHBondContact O-OG1 3.12Å; P347-T350 WeakPolarHBondContact O-CB 2.88Å; P347-T350 PolarHBondContact O-N 2.91Å; P347-T350 VanDerWaalsContact O-N 3.13Å; C348-T350 PolarHBondContact O-N 3.24Å; C348-T350 VanDerWaalsContact O-N 3.09Å; T350-K407 WeakPolarHBondContact O-CE 3.25Å; T350-K407 PolarHBondContact O-NZ 2.59Å
351I98.3Very high97.4Very high1 Ų150.9 Ų50.91%0.00527%0.266CS..Hα-helixtrans-100.2-27.6177.8-168.5155.6000113.7P347 C348 F354 F355 P388 F390 A405 K407 L410P347-I351 PolarHBondContact O-N 2.93Å; P347-I351 VanDerWaalsContact O-N 3.13Å; C348-I351 WeakPolarHBondContact O-CG2 3.28Å; C348-I351 PolarHBondContact O-N 2.92Å; C348-I351 VanDerWaalsContact O-N 3.11Å; I351-F354 HydrophobicContact CG1-CD1 4.42Å; I351-F354 WeakPolarHBondContact O-CA 3.42Å; I351-F354 WeakPolarHBondContact O-CB 3.49Å; I351-F354 PolarHBondContact O-N 3.13Å; I351-F355 PolarHBondContact O-N 2.83Å; I351-P388 HydrophobicContact CG2-CB 4.29Å; I351-P388 HydrophobicContact CG2-CG 3.99Å; I351-F390 HydrophobicContact CD1-CE2 3.88Å; I351-F390 HydrophobicContact CD1-CZ 3.77Å; I351-F390 HydrophobicContact CG1-CZ 4.07Å; I351-F390 HydrophobicContact CG2-CE2 4.45Å; I351-F390 HydrophobicContact CG2-CZ 3.87Å; I351-A405 HydrophobicContact CB-CB 4.07Å; I351-A405 HydrophobicContact CD1-CB 4.39Å; I351-A405 HydrophobicContact CG2-CB 4.1Å; I351-K407 HydrophobicContact CD1-CG 4.02Å; I351-K407 HydrophobicContact CG1-CG 4.19Å; I351-L410 HydrophobicContact CD1-CD2 3.94Å; I351-L410 HydrophobicContact CG1-CD2 4.22Å
352K97.4Very high97.3Very high59 Ų5951.6 Ų51.626%0.25727%0.268SS..Hα-helixtrans-47.4-48.3-178.7179.5168.6-175.5159.80114.2C348 F354 F355 H356 E369C348-K352 WeakPolarHBondContact O-CB 3.36Å; C348-K352 PolarHBondContact O-N 2.7Å; K352-F354 PolarHBondContact O-N 3.05Å; K352-F354 VanDerWaalsContact O-N 3.13Å; K352-F355 PolarHBondContact O-N 3.08Å; K352-F355 VanDerWaalsContact O-N 3.13Å; K352-H356 PolarHBondContact O-CD2 3.45Å; K352-H356 PolarHBondContact O-N 3.49Å; K352-E369 WeakPolarHBondContact CE-OE1 3.35Å; K352-E369 WeakPolarHBondContact CE-OE2 3.3Å; K352-E369 IonicContact NZ-OE1 3.73Å; K352-E369 PolarHBondContact NZ-OE1 3.46Å; K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact NZ-OE2 3.12Å
353P97.1Very high97.2Very high75 Ų7559.5 Ų59.549%0.48731%0.305SS..Hα-helixtrans-61.3-26.1177.1-24.134.9000114.4R349 A357R349-P353 WeakPolarHBondContact O-CD 3.31Å; P353-A357 WeakPolarHBondContact O-CB 3.41Å; P353-A357 PolarHBondContact O-N 2.92Å; P353-A357 VanDerWaalsContact O-N 3.08Å
354F97.9Very high97.2Very high48 Ų4858 Ų5821%0.21129%0.294CS..Hα-helixtrans-81.4-37.9176.1179.4-103.1000111.9I351 K352 A357 L358 K407 L410 E411I351-F354 HydrophobicContact CG1-CD1 4.42Å; I351-F354 WeakPolarHBondContact O-CA 3.42Å; I351-F354 WeakPolarHBondContact O-CB 3.49Å; I351-F354 PolarHBondContact O-N 3.13Å; K352-F354 PolarHBondContact O-N 3.05Å; K352-F354 VanDerWaalsContact O-N 3.13Å; F354-A357 PolarHBondContact O-N 3.13Å; F354-L358 HydrophobicContact CD1-CD1 3.94Å; F354-L358 HydrophobicContact CE1-CD1 3.56Å; F354-L358 HydrophobicContact CE1-CG 4.28Å; F354-L358 HydrophobicContact CZ-CD1 4.05Å; F354-L358 HydrophobicContact CZ-CD2 4.46Å; F354-L358 HydrophobicContact CZ-CG 4.36Å; F354-L358 WeakPolarHBondContact O-CG 3.45Å; F354-L358 PolarHBondContact O-N 3.41Å; F354-K407 HydrophobicContact CB-CD 4.11Å; F354-K407 HydrophobicContact CB-CG 4.5Å; F354-K407 HydrophobicContact CD1-CB 3.83Å; F354-K407 HydrophobicContact CD1-CD 4.06Å; F354-K407 HydrophobicContact CD1-CG 3.7Å; F354-K407 HydrophobicContact CD2-CD 4.29Å; F354-K407 HydrophobicContact CE1-CB 3.62Å; F354-K407 HydrophobicContact CE1-CG 4.05Å; F354-K407 WeakPolarHBondContact CE1-O 3.47Å; F354-K407 HydrophobicContact CG-CB 4.44Å; F354-K407 HydrophobicContact CG-CD 3.9Å; F354-K407 HydrophobicContact CG-CG 4.08Å; F354-K407 HydrophobicContact CZ-CB 4.06Å; F354-L410 HydrophobicContact CD1-CD2 3.99Å; F354-L410 HydrophobicContact CE1-CB 4.47Å; F354-L410 HydrophobicContact CE1-CD2 4.14Å; F354-E411 HydrophobicContact CZ-CB 4.21Å
355F98.3Very high97.3Very high1 Ų150.6 Ų50.60%0.00427%0.266CS..Hα-helixtrans-61.3-44.2170.5-174.7-100.7000111.2V315 A337 D339 I351 K352 A357 L358 S359 F367 L368 F390 L410V315-F355 HydrophobicContact CG1-CD1 4.36Å; V315-F355 HydrophobicContact CG1-CE1 3.91Å; V315-F355 HydrophobicContact CG2-CD1 4.12Å; V315-F355 HydrophobicContact CG2-CE1 4.22Å; A337-F355 HydrophobicContact CB-CE2 4.18Å; D339-F355 HydrophobicContact CB-CD1 4.03Å; D339-F355 HydrophobicContact CB-CD2 4.22Å; D339-F355 HydrophobicContact CB-CE1 3.77Å; D339-F355 HydrophobicContact CB-CE2 3.98Å; D339-F355 HydrophobicContact CB-CG 4.25Å; D339-F355 HydrophobicContact CB-CZ 3.75Å; I351-F355 PolarHBondContact O-N 2.83Å; K352-F355 PolarHBondContact O-N 3.08Å; K352-F355 VanDerWaalsContact O-N 3.13Å; F355-A357 PolarHBondContact O-N 3.08Å; F355-L358 WeakPolarHBondContact O-CB 3.24Å; F355-L358 PolarHBondContact O-N 3.13Å; F355-S359 PolarHBondContact O-N 3.13Å; F355-S359 VanDerWaalsContact O-N 3.13Å; F355-F367 HydrophobicContact CD1-CD1 4.36Å; F355-F367 HydrophobicContact CD2-CD1 4.1Å; F355-F367 HydrophobicContact CD2-CE1 4.44Å; F355-F367 HydrophobicContact CE1-CB 4.1Å; F355-F367 HydrophobicContact CE1-CD1 4Å; F355-F367 AromaticContact CE2-CD1 3.72Å; F355-F367 HydrophobicContact CE2-CD1 3.72Å; F355-F367 HydrophobicContact CE2-CE1 4.27Å; F355-F367 HydrophobicContact CG-CD1 4.41Å; F355-F367 HydrophobicContact CZ-CB 4.15Å; F355-F367 AromaticContact CZ-CD1 3.67Å; F355-F367 HydrophobicContact CZ-CD1 3.67Å; F355-F367 HydrophobicContact CZ-CG 4.39Å; F355-L368 WeakPolarHBondContact CE1-O 3.41Å; F355-L368 WeakPolarHBondContact CZ-O 3.45Å; F355-F390 AromaticContact CD2-CD1 4Å; F355-F390 HydrophobicContact CD2-CD1 4Å; F355-F390 AromaticContact CD2-CE1 3.62Å; F355-F390 HydrophobicContact CD2-CE1 3.62Å; F355-F390 AromaticContact CE2-CD1 3.96Å; F355-F390 HydrophobicContact CE2-CD1 3.96Å; F355-F390 HydrophobicContact CE2-CE1 4.01Å; F355-F390 HydrophobicContact CG-CE1 4.31Å; F355-L410 HydrophobicContact CB-CD2 4.45Å; F355-L410 HydrophobicContact CD2-CD1 4.35Å; F355-L410 HydrophobicContact CD2-CD2 4.08Å
356H97.6Very high97.3Very high16 Ų1651.5 Ų51.57%0.07427%0.271CS..Hα-helixtrans-61.5-44.1173.8-75-122.7000111.7D313 V315 K352 L358 S359 M360D313-H356 HydrophobicContact CB-CB 3.97Å; D313-H356 WeakPolarHBondContact CB-CE1 3.46Å; D313-H356 IonicContact OD1-CE1 2.7Å; D313-H356 PolarHBondContact OD1-CE1 2.89Å; D313-H356 IonicContact OD1-ND1 3.85Å; D313-H356 PolarHBondContact OD1-ND1 2.87Å; D313-H356 IonicContact OD1-NE2 2.68Å; D313-H356 CovalentContact OD2-CE1 1.77Å; D313-H356 IonicContact OD2-CE1 3.92Å; D313-H356 PolarHBondContact OD2-CE1 2.81Å; D313-H356 IonicContact OD2-CG 2.76Å; D313-H356 IonicContact OD2-ND1 2.87Å; D313-H356 PolarHBondContact OD2-ND1 2.89Å; D313-H356 IonicContact OD2-NE2 2.7Å; D313-H356 PolarHBondContact OD2-NE2 2.62Å; V315-H356 HydrophobicContact CG2-CB 4.35Å; K352-H356 PolarHBondContact O-CD2 3.45Å; K352-H356 PolarHBondContact O-N 3.49Å; H356-L358 VanDerWaalsContact C-N 3.31Å; H356-L358 PolarHBondContact O-N 2.97Å; H356-S359 WeakPolarHBondContact O-CB 3.43Å; H356-S359 PolarHBondContact O-N 2.92Å; H356-S359 VanDerWaalsContact O-N 3.12Å; H356-S359 PolarHBondContact O-OG 2.87Å; H356-M360 PolarHBondContact O-N 1.77Å
357A97Very high97.3Very high43 Ų4350.3 Ų50.336%0.35526%0.258SS..Hα-helixtrans-63.4-33175.600000113.4P353 F354 F355 S359 M360 K361P353-A357 WeakPolarHBondContact O-CB 3.41Å; P353-A357 PolarHBondContact O-N 2.92Å; P353-A357 VanDerWaalsContact O-N 3.08Å; F354-A357 PolarHBondContact O-N 3.13Å; F355-A357 PolarHBondContact O-N 3.08Å; A357-S359 VanDerWaalsContact C-N 3.34Å; A357-M360 PolarHBondContact O-N 3.07Å; A357-K361 PolarHBondContact O-N 3.42Å
358L97.1Very high97.4Very high4 Ų447 Ų472%0.02124%0.237CC..Hα-helixtrans-67.1-34.1173.2-72.8168.3000112.1F354 F355 H356 M360 K361 H362 F367 L410 E411 I414F354-L358 HydrophobicContact CD1-CD1 3.94Å; F354-L358 HydrophobicContact CE1-CD1 3.56Å; F354-L358 HydrophobicContact CE1-CG 4.28Å; F354-L358 HydrophobicContact CZ-CD1 4.05Å; F354-L358 HydrophobicContact CZ-CD2 4.46Å; F354-L358 HydrophobicContact CZ-CG 4.36Å; F354-L358 WeakPolarHBondContact O-CG 3.45Å; F354-L358 PolarHBondContact O-N 3.41Å; F355-L358 WeakPolarHBondContact O-CB 3.24Å; F355-L358 PolarHBondContact O-N 3.13Å; H356-L358 VanDerWaalsContact C-N 3.31Å; H356-L358 PolarHBondContact O-N 2.97Å; L358-M360 PolarHBondContact O-N 2.89Å; L358-K361 HydrophobicContact CD2-CD 4.22Å; L358-K361 WeakPolarHBondContact O-CB 3.33Å; L358-K361 PolarHBondContact O-N 2.99Å; L358-H362 PolarHBondContact O-N 2.72Å; L358-F367 HydrophobicContact CB-CE1 3.73Å; L358-F367 HydrophobicContact CB-CZ 3.9Å; L358-L410 HydrophobicContact CD1-CD2 3.81Å; L358-L410 HydrophobicContact CD1-CG 3.77Å; L358-E411 HydrophobicContact CD2-CB 4.47Å; L358-E411 HydrophobicContact CD2-CG 4.29Å; L358-I414 HydrophobicContact CD1-CD1 4.06Å
359S97.4Very high97.4Very high1 Ų147.3 Ų47.31%0.00724%0.238CC..Hα-helixtrans-63.4-27.4174.4830000113.9N314 F355 H356 A357 F367N314-S359 PolarHBondContact N-OG 3.4Å; N314-S359 PolarHBondContact ND2-O 3.46Å; F355-S359 PolarHBondContact O-N 3.13Å; F355-S359 VanDerWaalsContact O-N 3.13Å; H356-S359 WeakPolarHBondContact O-CB 3.43Å; H356-S359 PolarHBondContact O-N 2.92Å; H356-S359 VanDerWaalsContact O-N 3.12Å; H356-S359 PolarHBondContact O-OG 2.87Å; A357-S359 VanDerWaalsContact C-N 3.34Å; S359-F367 VanDerWaalsContact CA-CD2 3.48Å
360M96.1Very high97.4Very high100 Ų10041.2 Ų41.249%0.49322%0.215SC..Hα-helixtrans-81.9-21172.3-58.3-178.275.400112.7G312 D313 H356 A357 L358G312-M360 WeakPolarHBondContact O-CE 3.28Å; D313-M360 HydrophobicContact CB-CG 4.5Å; H356-M360 PolarHBondContact O-N 1.77Å; A357-M360 PolarHBondContact O-N 3.07Å; L358-M360 PolarHBondContact O-N 2.89Å
361K96.2Very high97.5Very high123 Ų12338 Ų3854%0.53519%0.194SC..Hα-helixtrans-88.7-22.4-178.9-169.7-178.7176.4175.40112.9A357 L358 E411A357-K361 PolarHBondContact O-N 3.42Å; L358-K361 HydrophobicContact CD2-CD 4.22Å; L358-K361 WeakPolarHBondContact O-CB 3.33Å; L358-K361 PolarHBondContact O-N 2.99Å; K361-E411 IonicContact NZ-OE1 2.75Å; K361-E411 PolarHBondContact NZ-OE1 3.36Å
362H95.8Very high97.4Very high20 Ų2038.7 Ų38.79%0.09320%0.201CC..  trans-13368.4-169.3-63.4-43000111.8L358 D364 V365 F367L358-H362 PolarHBondContact O-N 2.72Å; H362-D364 WeakPolarHBondContact CA-OD1 3.39Å; H362-D364 IonicContact ND1-OD1 2.57Å; H362-D364 PolarHBondContact O-N 2.68Å; H362-D364 VanDerWaalsContact O-N 3.07Å; H362-V365 HydrophobicContact CB-CB 4.13Å; H362-V365 HydrophobicContact CB-CG2 4.07Å; H362-V365 PolarHBondContact O-N 3.43Å; H362-V365 VanDerWaalsContact O-O 3.1Å; H362-F367 HydrophobicContact CB-CE2 3.97Å; H362-F367 HydrophobicContact CB-CZ 4.14Å
363E95.1Very high97.4Very high167 Ų16739.9 Ų39.978%0.7821%0.21SC*.THydrogen-bonded Turntrans-56.6-18.5171.6-60.9177.3-165.700113.2V365E363-V365 VanDerWaalsContact C-N 3.3Å
364D96.1Very high97.4Very high72 Ų7243 Ų4339%0.38522%0.222SC..THydrogen-bonded Turntrans-78-10.5174.959.4-45000114.3H362 K418H362-D364 WeakPolarHBondContact CA-OD1 3.39Å; H362-D364 IonicContact ND1-OD1 2.57Å; H362-D364 PolarHBondContact O-N 2.68Å; H362-D364 VanDerWaalsContact O-N 3.07Å; D364-K418 VanDerWaalsContact CG-NZ 3.3Å; D364-K418 IonicContact OD1-NZ 3.19Å; D364-K418 PolarHBondContact OD1-NZ 3.18Å; D364-K418 IonicContact OD2-NZ 2.61Å; D364-K418 PolarHBondContact OD2-NZ 3.41Å
365V98.1Very high97.3Very high8 Ų841.1 Ų41.15%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-119.3138.7-177.4179.80000109.6L335 A337 H362 E363 F367 I414 K418L335-V365 HydrophobicContact CB-CG1 4.11Å; L335-V365 HydrophobicContact CB-CG2 4.15Å; L335-V365 HydrophobicContact CD2-CG1 4.09Å; L335-V365 HydrophobicContact CD2-CG2 4.15Å; L335-V365 HydrophobicContact CG-CG1 4.11Å; L335-V365 WeakPolarHBondContact O-CA 3.48Å; L335-V365 WeakPolarHBondContact O-CG1 3.4Å; A337-V365 HydrophobicContact CB-CG1 4.3Å; H362-V365 HydrophobicContact CB-CB 4.13Å; H362-V365 HydrophobicContact CB-CG2 4.07Å; H362-V365 PolarHBondContact O-N 3.43Å; H362-V365 VanDerWaalsContact O-O 3.1Å; E363-V365 VanDerWaalsContact C-N 3.3Å; V365-F367 HydrophobicContact CB-CD2 4.36Å; V365-F367 HydrophobicContact CB-CE2 3.66Å; V365-F367 HydrophobicContact CB-CZ 4.26Å; V365-F367 HydrophobicContact CG1-CD2 4.16Å; V365-F367 HydrophobicContact CG1-CE2 3.65Å; V365-F367 HydrophobicContact CG1-CZ 3.99Å; V365-F367 WeakPolarHBondContact O-CD2 3.43Å; V365-I414 HydrophobicContact CG2-CG2 4.33Å; V365-K418 HydrophobicContact CG2-CB 4.04Å; V365-K418 HydrophobicContact CG2-CD 4.34Å
366V98.4Very high97.3Very high25 Ų2547 Ų4715%0.15224%0.242CC..EExtended strand (participates in β ladder)trans-90.2124.7175.2179.80000109A331 R334 L335 V336 A337 L368A331-V366 HydrophobicContact CB-CB 4.43Å; A331-V366 HydrophobicContact CB-CG2 3.91Å; R334-V366 HydrophobicContact CB-CG2 4.41Å; L335-V366 PolarHBondContact O-N 3.12Å; V336-V366 CarbonylContact C-O 3.52Å; V336-V366 VanDerWaalsContact CA-O 3.31Å; V336-V366 WeakPolarHBondContact CA-O 3.37Å; V336-V366 HydrophobicContact CG1-CB 4.24Å; V336-V366 HydrophobicContact CG1-CG1 4.28Å; V336-V366 HydrophobicContact CG2-CB 4.27Å; A337-V366 PolarHBondContact N-O 2.04Å; V366-L368 HydrophobicContact CG1-CD2 3.77Å; V366-L368 HydrophobicContact CG1-CG 4.36Å
367F98.7Very high97.3Very high3 Ų350.7 Ų50.71%0.01326%0.26CS..EExtended strand (participates in β ladder)trans-105.2123.7178.6-70-104.2000110.1V315 K316 A337 F355 L358 S359 H362 V365 I414V315-F367 HydrophobicContact CG2-CB 4.09Å; K316-F367 PolarHBondContact N-O 2.81Å; A337-F367 HydrophobicContact CB-CD1 4.26Å; A337-F367 HydrophobicContact CB-CE1 4.31Å; A337-F367 WeakPolarHBondContact O-CA 3.34Å; F355-F367 HydrophobicContact CD1-CD1 4.36Å; F355-F367 HydrophobicContact CD2-CD1 4.1Å; F355-F367 HydrophobicContact CD2-CE1 4.44Å; F355-F367 HydrophobicContact CE1-CB 4.1Å; F355-F367 HydrophobicContact CE1-CD1 4Å; F355-F367 AromaticContact CE2-CD1 3.72Å; F355-F367 HydrophobicContact CE2-CD1 3.72Å; F355-F367 HydrophobicContact CE2-CE1 4.27Å; F355-F367 HydrophobicContact CG-CD1 4.41Å; F355-F367 HydrophobicContact CZ-CB 4.15Å; F355-F367 AromaticContact CZ-CD1 3.67Å; F355-F367 HydrophobicContact CZ-CD1 3.67Å; F355-F367 HydrophobicContact CZ-CG 4.39Å; L358-F367 HydrophobicContact CB-CE1 3.73Å; L358-F367 HydrophobicContact CB-CZ 3.9Å; S359-F367 VanDerWaalsContact CA-CD2 3.48Å; H362-F367 HydrophobicContact CB-CE2 3.97Å; H362-F367 HydrophobicContact CB-CZ 4.14Å; V365-F367 HydrophobicContact CB-CD2 4.36Å; V365-F367 HydrophobicContact CB-CE2 3.66Å; V365-F367 HydrophobicContact CB-CZ 4.26Å; V365-F367 HydrophobicContact CG1-CD2 4.16Å; V365-F367 HydrophobicContact CG1-CE2 3.65Å; V365-F367 HydrophobicContact CG1-CZ 3.99Å; V365-F367 WeakPolarHBondContact O-CD2 3.43Å; F367-I414 HydrophobicContact CE1-CD1 3.88Å; F367-I414 HydrophobicContact CZ-CD1 4.13Å
368L98.8Very high97.3Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-116.7144.1177.1-51.2-176.1000110K316 I318 F324 V336 A337 V338 D339 F355 V366K316-L368 HydrophobicContact CB-CD2 3.84Å; K316-L368 HydrophobicContact CD-CD2 4.25Å; K316-L368 HydrophobicContact CG-CD2 4.41Å; K316-L368 VanDerWaalsContact O-CA 3.3Å; K316-L368 WeakPolarHBondContact O-CA 3.35Å; I318-L368 HydrophobicContact CD1-CD1 4.21Å; I318-L368 HydrophobicContact CD1-CD2 4.15Å; I318-L368 HydrophobicContact CG1-CB 4.09Å; I318-L368 HydrophobicContact CG1-CD1 4.37Å; F324-L368 HydrophobicContact CD2-CD1 4.25Å; F324-L368 HydrophobicContact CE2-CD1 4.21Å; V336-L368 HydrophobicContact CG1-CD1 3.61Å; V336-L368 HydrophobicContact CG1-CG 3.7Å; A337-L368 PolarHBondContact O-N 2.63Å; V338-L368 WeakPolarHBondContact CA-O 3.39Å; V338-L368 HydrophobicContact CG1-CB 4.24Å; V338-L368 HydrophobicContact CG2-CB 4.21Å; V338-L368 HydrophobicContact CG2-CD1 4.12Å; V338-L368 HydrophobicContact CG2-CG 4.44Å; D339-L368 PolarHBondContact N-O 3.03Å; F355-L368 WeakPolarHBondContact CE1-O 3.41Å; F355-L368 WeakPolarHBondContact CZ-O 3.45Å; V366-L368 HydrophobicContact CG1-CD2 3.77Å; V366-L368 HydrophobicContact CG1-CG 4.36Å
369E98.4Very high97.4Very high10 Ų1049.7 Ų49.75%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-118.2134.9166.8-173.6-177.2-171.800110V315 K316 I318 S341 K352V315-E369 HydrophobicContact CG1-CB 3.8Å; K316-E369 PolarHBondContact O-N 2.93Å; I318-E369 WeakPolarHBondContact CB-O 3.03Å; I318-E369 PolarHBondContact N-O 3.4Å; S341-E369 PolarHBondContact OG-OE1 3.31Å; K352-E369 WeakPolarHBondContact CE-OE1 3.35Å; K352-E369 WeakPolarHBondContact CE-OE2 3.3Å; K352-E369 IonicContact NZ-OE1 3.73Å; K352-E369 PolarHBondContact NZ-OE1 3.46Å; K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact NZ-OE2 3.12Å
370V98.7Very high97.4Very high0 Ų056.7 Ų56.70%028%0.275CS..EExtended strand (participates in β ladder)trans-125.3113176.8-175.80000107.7I318 F324 V338 D339 F340 S341 C375 V378I318-V370 HydrophobicContact CB-CG2 3.96Å; I318-V370 HydrophobicContact CG1-CG2 4.09Å; I318-V370 HydrophobicContact CG2-CG2 4.25Å; F324-V370 HydrophobicContact CD2-CG2 4.27Å; F324-V370 HydrophobicContact CE2-CG2 4.35Å; V338-V370 HydrophobicContact CG1-CG2 3.7Å; D339-V370 PolarHBondContact O-N 3.24Å; F340-V370 WeakPolarHBondContact CA-O 3.46Å; F340-V370 HydrophobicContact CD1-CB 3.69Å; F340-V370 HydrophobicContact CD1-CG1 3.8Å; F340-V370 HydrophobicContact CD1-CG2 4.17Å; F340-V370 HydrophobicContact CE1-CB 3.91Å; F340-V370 HydrophobicContact CE1-CG1 3.86Å; F340-V370 HydrophobicContact CE1-CG2 3.93Å; F340-V370 HydrophobicContact CG-CB 4.43Å; F340-V370 HydrophobicContact CZ-CG2 4.43Å; S341-V370 PolarHBondContact N-O 2.92Å; V370-C375 HydrophobicContact CG1-CB 3.51Å; V370-V378 HydrophobicContact CG1-CB 4.46Å
371D98.4Very high97.5Very high22 Ų2256.5 Ų56.512%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-75.3129.6168.9-172.8-69.2000109.6A342 T343 D373 D374 C375A342-D371 WeakPolarHBondContact CA-OD2 3.18Å; T343-D371 PolarHBondContact N-OD2 3.01Å; D371-D373 VanDerWaalsContact C-N 3.35Å; D371-D373 PolarHBondContact O-N 3.13Å; D371-D373 WeakPolarHBondContact OD1-CB 3.43Å; D371-D373 PolarHBondContact OD1-N 3.12Å; D371-D374 HydrophobicContact CB-CB 4.41Å; D371-D374 PolarHBondContact O-N 2.79Å; D371-D374 PolarHBondContact OD1-N 3.13Å; D371-C375 WeakPolarHBondContact O-CB 3.38Å; D371-C375 PolarHBondContact O-N 3.11Å
372A97.2Very high97.6Very high16 Ų1651.4 Ų51.413%0.13226%0.256CS..THydrogen-bonded Turntrans-75.7-18.5-172.100000114.7S341 V379 V387S341-A372 VanDerWaalsContact O-CB 3.31Å; S341-A372 WeakPolarHBondContact O-CB 3.47Å; S341-A372 PolarHBondContact O-N 3.09Å; A372-V379 HydrophobicContact CB-CG2 3.84Å; A372-V387 HydrophobicContact CB-CG1 3.96Å
373D96.8Very high97.7Very high84 Ų8453.4 Ų53.445%0.44928%0.276SS..THydrogen-bonded Turntrans-83.8-37.6173.6-61.4-35.2000110.7W344 D371W344-D373 PolarHBondContact NE1-OD1 3.43Å; W344-D373 PolarHBondContact NE1-OD2 2.85Å; D371-D373 VanDerWaalsContact C-N 3.35Å; D371-D373 PolarHBondContact O-N 3.13Å; D371-D373 WeakPolarHBondContact OD1-CB 3.43Å; D371-D373 PolarHBondContact OD1-N 3.12Å
374D97.3Very high97.8Very high141 Ų14146.1 Ų46.175%0.75424%0.243SC*.THydrogen-bonded Turntrans-78.9-32.4-179.9-79.4-31.5000113.4D371D371-D374 HydrophobicContact CB-CB 4.41Å; D371-D374 PolarHBondContact O-N 2.79Å; D371-D374 PolarHBondContact OD1-N 3.13Å
375C96.5Very high97.9Very high8 Ų850.8 Ų50.85%0.05426%0.264CS..  trans-112.941.5-172.5-76.40000114.8V370 D371 E377 V378 V379V370-C375 HydrophobicContact CG1-CB 3.51Å; D371-C375 WeakPolarHBondContact O-CB 3.38Å; D371-C375 PolarHBondContact O-N 3.11Å; C375-E377 PolarHBondContact O-N 2.89Å; C375-V378 HydrophobicContact CB-CB 4.4Å; C375-V378 HydrophobicContact CB-CG2 4.3Å; C375-V378 PolarHBondContact O-N 3.19Å; C375-V379 WeakPolarHBondContact O-CG2 3.31Å; C375-V379 PolarHBondContact O-N 2.9Å
376E97.1Very high97.8Very high124 Ų12453.3 Ų53.358%0.57928%0.282SS*.Hα-helixtrans-42.3-38.3-176.8-78.1-165.2-157.600116.1R380E376-R380 VanDerWaalsContact O-CB 3.29Å; E376-R380 WeakPolarHBondContact O-CB 3.17Å; E376-R380 PolarHBondContact O-N 3Å; E376-R380 IonicContact OE2-NH2 2.67Å; E376-R380 PolarHBondContact OE2-NH2 2.97Å
377E97.8Very high97.8Very high93 Ų9353.7 Ų53.744%0.43528%0.284SS..Hα-helixtrans-70.3-40.7-178.9-167.3177162.300112K321 C375 R380 D381K321-E377 HydrophobicContact CD-CG 3.94Å; K321-E377 WeakPolarHBondContact CD-OE1 3.37Å; K321-E377 IonicContact NZ-OE1 3.32Å; K321-E377 PolarHBondContact NZ-OE1 2.85Å; C375-E377 PolarHBondContact O-N 2.89Å; E377-R380 PolarHBondContact O-N 2.7Å; E377-D381 WeakPolarHBondContact O-CB 3.27Å; E377-D381 PolarHBondContact O-N 2.67Å
378V98.3Very high97.7Very high3 Ų353.6 Ų53.62%0.01828%0.284CS..Hα-helixtrans-67.6-42.7177.7-169.30000110.1K321 F324 F340 V370 C375 R380 D381 C382K321-V378 HydrophobicContact CB-CG2 3.97Å; F324-V378 HydrophobicContact CB-CG1 4.17Å; F324-V378 HydrophobicContact CB-CG2 4.31Å; F324-V378 HydrophobicContact CD1-CG1 3.6Å; F324-V378 HydrophobicContact CD2-CG1 3.96Å; F324-V378 HydrophobicContact CE1-CG1 3.89Å; F324-V378 HydrophobicContact CE2-CG1 4.24Å; F324-V378 HydrophobicContact CG-CG1 3.63Å; F324-V378 HydrophobicContact CZ-CG1 4.2Å; F340-V378 HydrophobicContact CE1-CG1 4.03Å; F340-V378 HydrophobicContact CZ-CG1 4.41Å; V370-V378 HydrophobicContact CG1-CB 4.46Å; C375-V378 HydrophobicContact CB-CB 4.4Å; C375-V378 HydrophobicContact CB-CG2 4.3Å; C375-V378 PolarHBondContact O-N 3.19Å; V378-R380 VanDerWaalsContact C-N 3.29Å; V378-R380 PolarHBondContact O-N 2.88Å; V378-D381 PolarHBondContact O-N 2.75Å; V378-C382 WeakPolarHBondContact O-CB 3.09Å; V378-C382 PolarHBondContact O-N 2.61Å; V378-C382 PolarHBondContact O-SG 3.45Å
379V98.2Very high97.7Very high24 Ų2454 Ų5415%0.14529%0.286CS..Hα-helixtrans-55-45.2173.9175.20000111.2A372 C375 A383 I384A372-V379 HydrophobicContact CB-CG2 3.84Å; C375-V379 WeakPolarHBondContact O-CG2 3.31Å; C375-V379 PolarHBondContact O-N 2.9Å; V379-A383 PolarHBondContact O-N 2.86Å; V379-I384 HydrophobicContact CG1-CB 3.91Å; V379-I384 HydrophobicContact CG1-CG2 4.45Å; V379-I384 PolarHBondContact O-N 3.29Å
380R98.2Very high97.8Very high147 Ų14753.5 Ų53.556%0.55528%0.283SS*.Hα-helixtrans-68.7-48.3-179.4-170.7-172.9-52.7119.76.4112.2E376 E377 V378 C382 A383E376-R380 VanDerWaalsContact O-CB 3.29Å; E376-R380 WeakPolarHBondContact O-CB 3.17Å; E376-R380 PolarHBondContact O-N 3Å; E376-R380 IonicContact OE2-NH2 2.67Å; E376-R380 PolarHBondContact OE2-NH2 2.97Å; E377-R380 PolarHBondContact O-N 2.7Å; V378-R380 VanDerWaalsContact C-N 3.29Å; V378-R380 PolarHBondContact O-N 2.88Å; R380-C382 VanDerWaalsContact C-N 3.35Å; R380-A383 PolarHBondContact O-N 3.47Å; R380-A383 VanDerWaalsContact O-N 3.12Å
381D97.9Very high97.8Very high96 Ų9653.5 Ų53.551%0.51328%0.283SS..Hα-helixtrans-71-31.6-177-72.52.9000112.1K321 E377 V378 A383K321-D381 WeakPolarHBondContact CE-OD2 3.28Å; K321-D381 IonicContact NZ-OD2 2.72Å; K321-D381 PolarHBondContact NZ-OD2 3.44Å; E377-D381 WeakPolarHBondContact O-CB 3.27Å; E377-D381 PolarHBondContact O-N 2.67Å; V378-D381 PolarHBondContact O-N 2.75Å; D381-A383 PolarHBondContact O-N 3.49Å
382C97.9Very high97.8Very high17 Ų1752.4 Ų52.412%0.11528%0.278CS..THydrogen-bonded Turntrans-82.71.9172.6-58.60000113.5F340 V378 R380 I384 Q391 Y393F340-C382 HydrophobicContact CE1-CB 4.27Å; F340-C382 HydrophobicContact CE2-CB 4.44Å; F340-C382 HydrophobicContact CZ-CB 3.77Å; V378-C382 WeakPolarHBondContact O-CB 3.09Å; V378-C382 PolarHBondContact O-N 2.61Å; V378-C382 PolarHBondContact O-SG 3.45Å; R380-C382 VanDerWaalsContact C-N 3.35Å; C382-I384 HydrophobicContact CB-CD1 4.12Å; C382-I384 HydrophobicContact CB-CG1 4Å; C382-I384 PolarHBondContact O-N 2.97Å; C382-Q391 PolarHBondContact O-NE2 2.76Å; C382-Y393 PolarHBondContact SG-OH 3.41Å
383A98Very high97.9Very high62 Ų6252.4 Ų52.451%0.51228%0.275SS..THydrogen-bonded Turntrans56.437.7178.600000115.2V379 R380 D381 M385V379-A383 PolarHBondContact O-N 2.86Å; R380-A383 PolarHBondContact O-N 3.47Å; R380-A383 VanDerWaalsContact O-N 3.12Å; D381-A383 PolarHBondContact O-N 3.49Å; A383-M385 PolarHBondContact O-N 2.89Å
384I98.3Very high97.9Very high14 Ų1451.1 Ų51.17%0.07227%0.265CS..  trans-73.4115.1-177-53.3-62.4000110.9F340 V379 C382 C386 T389 Q391F340-I384 HydrophobicContact CB-CD1 4.23Å; F340-I384 HydrophobicContact CB-CG1 4.27Å; F340-I384 HydrophobicContact CB-CG2 4.03Å; F340-I384 HydrophobicContact CD1-CD1 4.06Å; F340-I384 HydrophobicContact CD1-CG1 3.68Å; F340-I384 HydrophobicContact CD2-CD1 3.43Å; F340-I384 VanDerWaalsContact CD2-CD1 3.43Å; F340-I384 HydrophobicContact CD2-CG1 4.02Å; F340-I384 HydrophobicContact CE1-CD1 4.24Å; F340-I384 HydrophobicContact CE1-CG1 3.9Å; F340-I384 HydrophobicContact CE2-CD1 3.64Å; F340-I384 HydrophobicContact CE2-CG1 4.23Å; F340-I384 HydrophobicContact CG-CD1 3.64Å; F340-I384 HydrophobicContact CG-CG1 3.73Å; F340-I384 HydrophobicContact CG-CG2 4.42Å; F340-I384 HydrophobicContact CZ-CD1 4.04Å; F340-I384 HydrophobicContact CZ-CG1 4.17Å; V379-I384 HydrophobicContact CG1-CB 3.91Å; V379-I384 HydrophobicContact CG1-CG2 4.45Å; V379-I384 PolarHBondContact O-N 3.29Å; C382-I384 HydrophobicContact CB-CD1 4.12Å; C382-I384 HydrophobicContact CB-CG1 4Å; C382-I384 PolarHBondContact O-N 2.97Å; I384-C386 WeakPolarHBondContact CG2-O 3.01Å; I384-T389 HydrophobicContact CD1-CG2 3.79Å; I384-Q391 HydrophobicContact CD1-CG 4.11Å; I384-Q391 VanDerWaalsContact CD1-NE2 3.33Å
385M96.2Very high97.9Very high169 Ų16950.8 Ų50.883%0.83326%0.257SS*.  trans-101.6-14.1-176.8-61.4-70.592.900114.4A383A383-M385 PolarHBondContact O-N 2.89Å
386C96.3Very high97.9Very high62 Ų6255.6 Ų55.642%0.41928%0.278SS..SBendtrans-156.6162.217950.80000111.4I384 T389 C403I384-C386 WeakPolarHBondContact CG2-O 3.01Å; C386-T389 WeakPolarHBondContact O-CB 3.5Å; C386-T389 PolarHBondContact O-OG1 3.3Å; C386-C403 WeakPolarHBondContact CB-SG 3.39Å; C386-C403 WeakPolarHBondContact SG-CB 3.48Å; C386-C403 CovalentContact SG-SG 2.04Å; C386-C403 PolarHBondContact SG-SG 2.94Å
387V98.2Very high97.9Very high33 Ų3356.5 Ų56.520%0.228%0.283CS..SBendtrans-127.8143.9179.6-65.20000111.1F340 A342 W344 C345 A372F340-V387 WeakPolarHBondContact O-CG1 3.31Å; A342-V387 HydrophobicContact CB-CG2 4.06Å; W344-V387 HydrophobicContact CH2-CG2 3.9Å; W344-V387 HydrophobicContact CZ2-CG2 4.41Å; W344-V387 HydrophobicContact CZ3-CG2 4.43Å; C345-V387 HydrophobicContact CB-CG2 3.97Å; A372-V387 HydrophobicContact CB-CG1 3.96Å
388P98.4Very high97.9Very high1 Ų155.8 Ų55.81%0.00628%0.278CS..SBendcis-72.9142.8-4.831.4-32.7000110.5F340 C348 I351 F390 C403 G404 A405F340-P388 VanDerWaalsContact O-CA 3.28Å; F340-P388 WeakPolarHBondContact O-CA 3.3Å; C348-P388 HydrophobicContact CB-CB 4.37Å; C348-P388 WeakPolarHBondContact SG-CD 3.48Å; I351-P388 HydrophobicContact CG2-CB 4.29Å; I351-P388 HydrophobicContact CG2-CG 3.99Å; P388-F390 HydrophobicContact CB-CE2 4.02Å; P388-F390 HydrophobicContact CB-CZ 4.14Å; P388-F390 HydrophobicContact CG-CE2 4.24Å; P388-C403 WeakPolarHBondContact O-CA 3.15Å; P388-G404 PolarHBondContact O-N 3.02Å; P388-A405 HydrophobicContact CG-CB 4.11Å
389T98.8Very high97.9Very high7 Ų758.8 Ų58.84%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-122.7130169-73.90000109.5F340 I384 C386 Q391 F402 C403F340-T389 WeakPolarHBondContact CB-O 3.28Å; F340-T389 PolarHBondContact N-O 3.32Å; F340-T389 PolarHBondContact O-N 3.44Å; I384-T389 HydrophobicContact CD1-CG2 3.79Å; C386-T389 WeakPolarHBondContact O-CB 3.5Å; C386-T389 PolarHBondContact O-OG1 3.3Å; T389-Q391 HydrophobicContact CG2-CG 4.1Å; T389-F402 WeakPolarHBondContact CA-O 3.45Å; T389-C403 VanDerWaalsContact OG1-CB 3.3Å; T389-C403 WeakPolarHBondContact OG1-CB 3.35Å; T389-C403 PolarHBondContact OG1-SG 2.67Å
390F98.8Very high97.9Very high0 Ų060.1 Ų60.10%030%0.303CS..EExtended strand (participates in β ladder)trans-101.4121.6175.6-59-82000109.3V338 D339 I351 F355 P388 F392 E401 F402 L410V338-F390 VanDerWaalsContact O-CA 3.28Å; V338-F390 WeakPolarHBondContact O-CA 3.43Å; D339-F390 HydrophobicContact CB-CD1 4.07Å; D339-F390 HydrophobicContact CB-CE1 3.66Å; I351-F390 HydrophobicContact CD1-CE2 3.88Å; I351-F390 HydrophobicContact CD1-CZ 3.77Å; I351-F390 HydrophobicContact CG1-CZ 4.07Å; I351-F390 HydrophobicContact CG2-CE2 4.45Å; I351-F390 HydrophobicContact CG2-CZ 3.87Å; F355-F390 AromaticContact CD2-CD1 4Å; F355-F390 HydrophobicContact CD2-CD1 4Å; F355-F390 AromaticContact CD2-CE1 3.62Å; F355-F390 HydrophobicContact CD2-CE1 3.62Å; F355-F390 AromaticContact CE2-CD1 3.96Å; F355-F390 HydrophobicContact CE2-CD1 3.96Å; F355-F390 HydrophobicContact CE2-CE1 4.01Å; F355-F390 HydrophobicContact CG-CE1 4.31Å; P388-F390 HydrophobicContact CB-CE2 4.02Å; P388-F390 HydrophobicContact CB-CZ 4.14Å; P388-F390 HydrophobicContact CG-CE2 4.24Å; F390-F392 HydrophobicContact CB-CE2 3.85Å; F390-F392 HydrophobicContact CB-CZ 3.84Å; F390-E401 CarbonylContact O-C 3.55Å; F390-E401 VanDerWaalsContact O-CA 3.24Å; F390-E401 WeakPolarHBondContact O-CA 3.41Å; F390-F402 HydrophobicContact CB-CD1 4.41Å; F390-F402 HydrophobicContact CB-CE1 3.99Å; F390-F402 HydrophobicContact CB-CE2 4.37Å; F390-F402 HydrophobicContact CB-CZ 3.95Å; F390-F402 HydrophobicContact CD2-CD2 4.17Å; F390-F402 HydrophobicContact CD2-CE1 4.49Å; F390-F402 AromaticContact CD2-CE2 3.46Å; F390-F402 HydrophobicContact CD2-CE2 3.46Å; F390-F402 VanDerWaalsContact CD2-CE2 3.46Å; F390-F402 AromaticContact CD2-CZ 3.64Å; F390-F402 HydrophobicContact CD2-CZ 3.64Å; F390-F402 HydrophobicContact CE2-CE2 4.18Å; F390-F402 HydrophobicContact CG-CE2 4.24Å; F390-F402 AromaticContact CG-CZ 4Å; F390-F402 HydrophobicContact CG-CZ 4Å; F390-F402 PolarHBondContact N-O 3.05Å; F390-F402 PolarHBondContact O-N 3.33Å; F390-L410 HydrophobicContact CB-CD1 4.43Å; F390-L410 HydrophobicContact CD1-CD1 3.76Å; F390-L410 HydrophobicContact CD1-CD2 4.43Å; F390-L410 HydrophobicContact CE1-CD1 4.19Å; F390-L410 HydrophobicContact CE1-CD2 4.02Å; F390-L410 HydrophobicContact CG-CD1 3.98Å; F390-L410 HydrophobicContact CZ-CD2 4.18Å
391Q98.8Very high97.9Very high0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-115.7143170.4-64.1-166.9-16.900110.1V338 F340 C382 I384 T389 Y393 K398 E401V338-Q391 PolarHBondContact N-O 3.23Å; V338-Q391 PolarHBondContact O-N 3.28Å; V338-Q391 VanDerWaalsContact O-N 3.12Å; F340-Q391 HydrophobicContact CD2-CG 4.32Å; F340-Q391 HydrophobicContact CE2-CB 4.08Å; F340-Q391 HydrophobicContact CE2-CG 4Å; C382-Q391 PolarHBondContact O-NE2 2.76Å; I384-Q391 HydrophobicContact CD1-CG 4.11Å; I384-Q391 VanDerWaalsContact CD1-NE2 3.33Å; T389-Q391 HydrophobicContact CG2-CG 4.1Å; Q391-Y393 HydrophobicContact CB-CE2 3.8Å; Q391-Y393 PolarHBondContact OE1-OH 3.38Å; Q391-K398 HydrophobicContact CB-CD 3.97Å; Q391-K398 HydrophobicContact CB-CG 4.45Å; Q391-K398 VanDerWaalsContact CD-CD 3.44Å; Q391-K398 HydrophobicContact CG-CD 3.91Å; Q391-E401 HydrophobicContact CG-CB 3.86Å; Q391-E401 PolarHBondContact NE2-OE2 2.95Å
392F98.8Very high98Very high0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-119133.9-175.7-58.7-84.3000110L335 V336 A337 F390 K398 V399 D400 F402 L410 V413 I414 L417L335-F392 HydrophobicContact CD1-CB 4.28Å; V336-F392 CarbonylContact O-C 3.54Å; V336-F392 VanDerWaalsContact O-CA 3.28Å; V336-F392 WeakPolarHBondContact O-CA 3.38Å; A337-F392 HydrophobicContact CB-CD1 3.87Å; A337-F392 HydrophobicContact CB-CE1 3.72Å; F390-F392 HydrophobicContact CB-CE2 3.85Å; F390-F392 HydrophobicContact CB-CZ 3.84Å; F392-K398 CarbonylContact O-C 3.56Å; F392-K398 WeakPolarHBondContact O-CA 3.5Å; F392-V399 HydrophobicContact CB-CG2 4Å; F392-V399 VanDerWaalsContact O-CG2 3.31Å; F392-V399 WeakPolarHBondContact O-CG2 3.45Å; F392-V399 PolarHBondContact O-N 3.44Å; F392-D400 HydrophobicContact CB-CB 4.49Å; F392-D400 HydrophobicContact CD2-CB 4.13Å; F392-D400 PolarHBondContact N-O 3.18Å; F392-F402 HydrophobicContact CE2-CD1 4Å; F392-F402 AromaticContact CE2-CE1 3.67Å; F392-F402 HydrophobicContact CE2-CE1 3.67Å; F392-F402 AromaticContact CZ-CE1 3.92Å; F392-F402 HydrophobicContact CZ-CE1 3.92Å; F392-L410 HydrophobicContact CE1-CD1 4.3Å; F392-L410 HydrophobicContact CZ-CD1 3.87Å; F392-V413 HydrophobicContact CD1-CG1 4.18Å; F392-V413 HydrophobicContact CD2-CG1 3.59Å; F392-V413 HydrophobicContact CE1-CG1 4.11Å; F392-V413 HydrophobicContact CE2-CB 4.31Å; F392-V413 HydrophobicContact CE2-CG1 3.53Å; F392-V413 HydrophobicContact CG-CG1 3.94Å; F392-V413 HydrophobicContact CZ-CB 4.3Å; F392-V413 HydrophobicContact CZ-CG1 3.79Å; F392-I414 HydrophobicContact CD1-CG1 4.42Å; F392-I414 HydrophobicContact CE1-CD1 4.29Å; F392-I414 HydrophobicContact CE1-CG1 3.67Å; F392-I414 HydrophobicContact CZ-CG1 4.49Å; F392-L417 HydrophobicContact CB-CD1 3.75Å; F392-L417 HydrophobicContact CG-CD1 4.02Å
393Y98.7Very high98Very high16 Ų1655.1 Ų55.16%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-128.9147.3-177.6-58.1-106.5000112.2F324 L328 V336 V338 C382 Q391 E397 K398F324-Y393 HydrophobicContact CZ-CE2 4.09Å; F324-Y393 AromaticContact CZ-CZ 3.89Å; L328-Y393 HydrophobicContact CD1-CD1 4.17Å; L328-Y393 HydrophobicContact CD1-CE1 4.19Å; L328-Y393 HydrophobicContact CD2-CD1 4.18Å; L328-Y393 HydrophobicContact CD2-CD2 3.99Å; L328-Y393 HydrophobicContact CD2-CG 3.79Å; V336-Y393 PolarHBondContact N-O 3.1Å; V336-Y393 PolarHBondContact O-N 3.38Å; V338-Y393 HydrophobicContact CB-CE2 4.49Å; V338-Y393 HydrophobicContact CG2-CD2 3.9Å; V338-Y393 HydrophobicContact CG2-CE2 3.7Å; C382-Y393 PolarHBondContact SG-OH 3.41Å; Q391-Y393 HydrophobicContact CB-CE2 3.8Å; Q391-Y393 PolarHBondContact OE1-OH 3.38Å; Y393-E397 CarbonylContact C-O 3.55Å; Y393-E397 WeakPolarHBondContact CA-O 3.4Å; Y393-E397 WeakPolarHBondContact CB-O 3.21Å; Y393-K398 HydrophobicContact CD1-CB 3.96Å; Y393-K398 HydrophobicContact CE1-CB 3.84Å; Y393-K398 HydrophobicContact CE1-CG 4.31Å
394K97.5Very high98Very high57 Ų5753.1 Ų53.125%0.24827%0.272CS..EExtended strand (participates in β ladder)trans-137.8134.8163.1-86.9-174.9158.7175.10108.6L335 E396 E397 V399 L417 K418L335-K394 HydrophobicContact CB-CG 4.48Å; L335-K394 HydrophobicContact CD1-CD 4.46Å; L335-K394 HydrophobicContact CD1-CG 4.07Å; K394-E396 VanDerWaalsContact C-N 3.29Å; K394-E396 PolarHBondContact O-N 3.17Å; K394-E397 PolarHBondContact N-O 2.88Å; K394-E397 PolarHBondContact O-N 3.16Å; K394-E397 VanDerWaalsContact O-N 3.08Å; K394-V399 HydrophobicContact CB-CG1 4.3Å; K394-L417 WeakPolarHBondContact CE-O 3.44Å; K394-L417 PolarHBondContact NZ-O 3.21Å; K394-K418 PolarHBondContact NZ-OXT 2.04Å
395K96.4Very high98Very high133 Ų13354.2 Ų54.258%0.57828%0.283SS*.THydrogen-bonded Turntrans53.344.8179.1-51.7-174.6179.3-163.60113.1G332 E333 E397G332-K395 PolarHBondContact O-N 3.19Å; E333-K395 WeakPolarHBondContact OE1-CE 3.44Å; E333-K395 IonicContact OE1-NZ 2.61Å; E333-K395 PolarHBondContact OE1-NZ 3Å; K395-E397 PolarHBondContact O-N 2.84Å; K395-E397 VanDerWaalsContact O-N 3.09Å
396E96.8Very high98.1Very high109 Ų10950.6 Ų50.651%0.50927%0.266SS..THydrogen-bonded Turntrans65.4-3.6-176.8-55.9171.6-115.900115.8L328 K329 K394L328-E396 HydrophobicContact CB-CG 4.19Å; K329-E396 WeakPolarHBondContact CE-OE2 3.43Å; K329-E396 HydrophobicContact CG-CG 4.12Å; K329-E396 VanDerWaalsContact CG-OE2 3.28Å; K329-E396 WeakPolarHBondContact CG-OE2 3.4Å; K394-E396 VanDerWaalsContact C-N 3.29Å; K394-E396 PolarHBondContact O-N 3.17Å
397E97.4Very high98.1Very high144 Ų14451.9 Ų51.967%0.67326%0.264SS*.EExtended strand (participates in β ladder)trans-95.2139.4176.1-174.4170.8-159.700111.8Y393 K394 K395Y393-E397 CarbonylContact C-O 3.55Å; Y393-E397 WeakPolarHBondContact CA-O 3.4Å; Y393-E397 WeakPolarHBondContact CB-O 3.21Å; K394-E397 PolarHBondContact N-O 2.88Å; K394-E397 PolarHBondContact O-N 3.16Å; K394-E397 VanDerWaalsContact O-N 3.08Å; K395-E397 PolarHBondContact O-N 2.84Å; K395-E397 VanDerWaalsContact O-N 3.09Å
398K98.3Very high98.1Very high77 Ų7758.8 Ų58.834%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-78.7120.7176.2-169.6176.176.2177.20110.2Q391 F392 Y393 E401Q391-K398 HydrophobicContact CB-CD 3.97Å; Q391-K398 HydrophobicContact CB-CG 4.45Å; Q391-K398 VanDerWaalsContact CD-CD 3.44Å; Q391-K398 HydrophobicContact CG-CD 3.91Å; F392-K398 CarbonylContact O-C 3.56Å; F392-K398 WeakPolarHBondContact O-CA 3.5Å; Y393-K398 HydrophobicContact CD1-CB 3.96Å; Y393-K398 HydrophobicContact CE1-CB 3.84Å; Y393-K398 HydrophobicContact CE1-CG 4.31Å; K398-E401 WeakPolarHBondContact CE-OE1 3.37Å; K398-E401 IonicContact NZ-OE1 3.44Å; K398-E401 PolarHBondContact NZ-OE1 3.41Å; K398-E401 IonicContact NZ-OE2 2.61Å; K398-E401 PolarHBondContact NZ-OE2 3.39Å
399V98.4Very high98.1Very high67 Ų6762.5 Ų62.541%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-103.6-27.7-173.2-690000114.7L335 F392 K394 L417L335-V399 HydrophobicContact CD1-CG2 4.38Å; F392-V399 HydrophobicContact CB-CG2 4Å; F392-V399 VanDerWaalsContact O-CG2 3.31Å; F392-V399 WeakPolarHBondContact O-CG2 3.45Å; F392-V399 PolarHBondContact O-N 3.44Å; K394-V399 HydrophobicContact CB-CG1 4.3Å; V399-L417 HydrophobicContact CG2-CD1 3.98Å
400D98.5Very high98.1Very high52 Ų5262.2 Ų62.228%0.27831%0.309SS..EExtended strand (participates in β ladder)trans-154.5164.6170-171.228.3000110.7F392 K409 V413 L417F392-D400 HydrophobicContact CB-CB 4.49Å; F392-D400 HydrophobicContact CD2-CB 4.13Å; F392-D400 PolarHBondContact N-O 3.18Å; D400-K409 IonicContact OD2-NZ 3.95Å; D400-V413 HydrophobicContact CB-CG1 4.32Å; D400-V413 WeakPolarHBondContact OD2-CG1 3.35Å; D400-V413 WeakPolarHBondContact OD2-CG2 2.96Å; D400-L417 HydrophobicContact CB-CD1 3.79Å
401E98.6Very high98.1Very high85 Ų8565.4 Ų65.440%0.39732%0.324SS..EExtended strand (participates in β ladder)trans-152.4157.1167.871.3-171.5135.600114.4F390 Q391 K398F390-E401 CarbonylContact O-C 3.55Å; F390-E401 VanDerWaalsContact O-CA 3.24Å; F390-E401 WeakPolarHBondContact O-CA 3.41Å; Q391-E401 HydrophobicContact CG-CB 3.86Å; Q391-E401 PolarHBondContact NE2-OE2 2.95Å; K398-E401 WeakPolarHBondContact CE-OE1 3.37Å; K398-E401 IonicContact NZ-OE1 3.44Å; K398-E401 PolarHBondContact NZ-OE1 3.41Å; K398-E401 IonicContact NZ-OE2 2.61Å; K398-E401 PolarHBondContact NZ-OE2 3.39Å
402F98.6Very high98.1Very high17 Ų1768 Ų688%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-156.8152.3160.564.4-86.1000113.2T389 F390 F392 L406 K409 L410 V413T389-F402 WeakPolarHBondContact CA-O 3.45Å; F390-F402 HydrophobicContact CB-CD1 4.41Å; F390-F402 HydrophobicContact CB-CE1 3.99Å; F390-F402 HydrophobicContact CB-CE2 4.37Å; F390-F402 HydrophobicContact CB-CZ 3.95Å; F390-F402 HydrophobicContact CD2-CD2 4.17Å; F390-F402 HydrophobicContact CD2-CE1 4.49Å; F390-F402 AromaticContact CD2-CE2 3.46Å; F390-F402 HydrophobicContact CD2-CE2 3.46Å; F390-F402 VanDerWaalsContact CD2-CE2 3.46Å; F390-F402 AromaticContact CD2-CZ 3.64Å; F390-F402 HydrophobicContact CD2-CZ 3.64Å; F390-F402 HydrophobicContact CE2-CE2 4.18Å; F390-F402 HydrophobicContact CG-CE2 4.24Å; F390-F402 AromaticContact CG-CZ 4Å; F390-F402 HydrophobicContact CG-CZ 4Å; F390-F402 PolarHBondContact N-O 3.05Å; F390-F402 PolarHBondContact O-N 3.33Å; F392-F402 HydrophobicContact CE2-CD1 4Å; F392-F402 AromaticContact CE2-CE1 3.67Å; F392-F402 HydrophobicContact CE2-CE1 3.67Å; F392-F402 AromaticContact CZ-CE1 3.92Å; F392-F402 HydrophobicContact CZ-CE1 3.92Å; F402-L406 HydrophobicContact CD2-CD1 4.36Å; F402-L406 HydrophobicContact CE2-CB 4.05Å; F402-K409 HydrophobicContact CB-CD 4.08Å; F402-K409 HydrophobicContact CD1-CD 3.65Å; F402-K409 VanDerWaalsContact CD1-CE 3.4Å; F402-K409 HydrophobicContact CD1-CG 3.97Å; F402-K409 HydrophobicContact CD2-CD 4.12Å; F402-K409 HydrophobicContact CE1-CB 4.47Å; F402-K409 HydrophobicContact CE1-CD 4.08Å; F402-K409 HydrophobicContact CE1-CG 3.85Å; F402-K409 HydrophobicContact CE2-CB 4.4Å; F402-K409 HydrophobicContact CE2-CG 4.46Å; F402-K409 HydrophobicContact CG-CD 3.68Å; F402-K409 HydrophobicContact CG-CG 4.32Å; F402-K409 HydrophobicContact CZ-CB 4.25Å; F402-K409 HydrophobicContact CZ-CG 4.13Å; F402-L410 HydrophobicContact CZ-CB 3.89Å; F402-L410 HydrophobicContact CZ-CD1 4.29Å; F402-V413 HydrophobicContact CE1-CG2 4.34Å
403C98.1Very high98Very high52 Ų5268.4 Ų68.435%0.35135%0.348SS..EExtended strand (participates in β ladder)trans-100.3146.2171.3-176.80000111C386 P388 T389C386-C403 WeakPolarHBondContact CB-SG 3.39Å; C386-C403 WeakPolarHBondContact SG-CB 3.48Å; C386-C403 CovalentContact SG-SG 2.04Å; C386-C403 PolarHBondContact SG-SG 2.94Å; P388-C403 WeakPolarHBondContact O-CA 3.15Å; T389-C403 VanDerWaalsContact OG1-CB 3.3Å; T389-C403 WeakPolarHBondContact OG1-CB 3.35Å; T389-C403 PolarHBondContact OG1-SG 2.67Å
404G97.8Very high98Very high21 Ų2167.6 Ų67.622%0.21635%0.345CS..SBendtrans110.1151.417700000114.2P388 L406P388-G404 PolarHBondContact O-N 3.02Å; G404-L406 PolarHBondContact O-N 3.5Å
405A98.3Very high98Very high37 Ų3768 Ų6831%0.30636%0.358SS..  trans-76.154.8-176.100000113.5P347 I351 P388 K407P347-A405 HydrophobicContact CB-CB 3.96Å; I351-A405 HydrophobicContact CB-CB 4.07Å; I351-A405 HydrophobicContact CD1-CB 4.39Å; I351-A405 HydrophobicContact CG2-CB 4.1Å; P388-A405 HydrophobicContact CG-CB 4.11Å; A405-K407 PolarHBondContact O-N 3.03Å
406L98.1Very high98.1Very high93 Ų9369.5 Ų69.549%0.48737%0.367SS..  trans-9584.6-171-58.1178.3000111.9F402 G404 E408 K409 L410F402-L406 HydrophobicContact CD2-CD1 4.36Å; F402-L406 HydrophobicContact CE2-CB 4.05Å; G404-L406 PolarHBondContact O-N 3.5Å; L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.43Å; L406-K409 HydrophobicContact CB-CB 4Å; L406-K409 PolarHBondContact O-N 2.83Å; L406-K409 VanDerWaalsContact O-N 3.16Å; L406-L410 PolarHBondContact O-N 2.72Å
407K98.1Very high98.1Very high88 Ų8866.3 Ų66.338%0.38335%0.354SS..Hα-helixtrans-53.4-45.2-176.6-63.8-171.1179-174.90113.6T350 I351 F354 A405 L410 E411T350-K407 WeakPolarHBondContact O-CE 3.25Å; T350-K407 PolarHBondContact O-NZ 2.59Å; I351-K407 HydrophobicContact CD1-CG 4.02Å; I351-K407 HydrophobicContact CG1-CG 4.19Å; F354-K407 HydrophobicContact CB-CD 4.11Å; F354-K407 HydrophobicContact CB-CG 4.5Å; F354-K407 HydrophobicContact CD1-CB 3.83Å; F354-K407 HydrophobicContact CD1-CD 4.06Å; F354-K407 HydrophobicContact CD1-CG 3.7Å; F354-K407 HydrophobicContact CD2-CD 4.29Å; F354-K407 HydrophobicContact CE1-CB 3.62Å; F354-K407 HydrophobicContact CE1-CG 4.05Å; F354-K407 WeakPolarHBondContact CE1-O 3.47Å; F354-K407 HydrophobicContact CG-CB 4.44Å; F354-K407 HydrophobicContact CG-CD 3.9Å; F354-K407 HydrophobicContact CG-CG 4.08Å; F354-K407 HydrophobicContact CZ-CB 4.06Å; A405-K407 PolarHBondContact O-N 3.03Å; K407-L410 PolarHBondContact O-N 2.74Å; K407-E411 PolarHBondContact O-N 2.9Å; K407-E411 VanDerWaalsContact O-N 3.1Å
408E98.2Very high97.5Very high178 Ų17864.8 Ų64.883%0.83235%0.345SS*.Hα-helixtrans-64.9-41.7179.9-66.4164.9-169.600112.1L406 A412L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.43Å; E408-A412 VanDerWaalsContact O-CB 3.28Å; E408-A412 WeakPolarHBondContact O-CB 3.44Å; E408-A412 PolarHBondContact O-N 2.94Å
409K98.4Very high97.4Very high80 Ų8064.2 Ų64.235%0.34835%0.345SS..Hα-helixtrans-67.6-40.9175.1-174.7174175.8-177.20111.2D400 F402 L406 E411 A412 V413D400-K409 IonicContact OD2-NZ 3.95Å; F402-K409 HydrophobicContact CB-CD 4.08Å; F402-K409 HydrophobicContact CD1-CD 3.65Å; F402-K409 VanDerWaalsContact CD1-CE 3.4Å; F402-K409 HydrophobicContact CD1-CG 3.97Å; F402-K409 HydrophobicContact CD2-CD 4.12Å; F402-K409 HydrophobicContact CE1-CB 4.47Å; F402-K409 HydrophobicContact CE1-CD 4.08Å; F402-K409 HydrophobicContact CE1-CG 3.85Å; F402-K409 HydrophobicContact CE2-CB 4.4Å; F402-K409 HydrophobicContact CE2-CG 4.46Å; F402-K409 HydrophobicContact CG-CD 3.68Å; F402-K409 HydrophobicContact CG-CG 4.32Å; F402-K409 HydrophobicContact CZ-CB 4.25Å; F402-K409 HydrophobicContact CZ-CG 4.13Å; L406-K409 HydrophobicContact CB-CB 4Å; L406-K409 PolarHBondContact O-N 2.83Å; L406-K409 VanDerWaalsContact O-N 3.16Å; K409-E411 PolarHBondContact O-N 3.44Å; K409-A412 PolarHBondContact O-N 2.85Å; K409-V413 HydrophobicContact CD-CG2 4.44Å; K409-V413 HydrophobicContact CG-CG2 3.84Å; K409-V413 WeakPolarHBondContact O-CB 3.29Å; K409-V413 VanDerWaalsContact O-CG2 3.31Å; K409-V413 WeakPolarHBondContact O-CG2 3.1Å; K409-V413 PolarHBondContact O-N 2.95Å
410L98.4Very high97.4Very high0 Ų064.1 Ų64.10%034%0.342CS..Hα-helixtrans-57.4-49.7178.8179.457.4000111.8I351 F354 F355 L358 F390 F392 F402 L406 K407 I414I351-L410 HydrophobicContact CD1-CD2 3.94Å; I351-L410 HydrophobicContact CG1-CD2 4.22Å; F354-L410 HydrophobicContact CD1-CD2 3.99Å; F354-L410 HydrophobicContact CE1-CB 4.47Å; F354-L410 HydrophobicContact CE1-CD2 4.14Å; F355-L410 HydrophobicContact CB-CD2 4.45Å; F355-L410 HydrophobicContact CD2-CD1 4.35Å; F355-L410 HydrophobicContact CD2-CD2 4.08Å; L358-L410 HydrophobicContact CD1-CD2 3.81Å; L358-L410 HydrophobicContact CD1-CG 3.77Å; F390-L410 HydrophobicContact CB-CD1 4.43Å; F390-L410 HydrophobicContact CD1-CD1 3.76Å; F390-L410 HydrophobicContact CD1-CD2 4.43Å; F390-L410 HydrophobicContact CE1-CD1 4.19Å; F390-L410 HydrophobicContact CE1-CD2 4.02Å; F390-L410 HydrophobicContact CG-CD1 3.98Å; F390-L410 HydrophobicContact CZ-CD2 4.18Å; F392-L410 HydrophobicContact CE1-CD1 4.3Å; F392-L410 HydrophobicContact CZ-CD1 3.87Å; F402-L410 HydrophobicContact CZ-CB 3.89Å; F402-L410 HydrophobicContact CZ-CD1 4.29Å; L406-L410 PolarHBondContact O-N 2.72Å; K407-L410 PolarHBondContact O-N 2.74Å; L410-I414 HydrophobicContact CD1-CD1 3.75Å; L410-I414 HydrophobicContact CD1-CG1 4.49Å; L410-I414 HydrophobicContact CG-CD1 4.13Å; L410-I414 WeakPolarHBondContact O-CD1 3.45Å; L410-I414 VanDerWaalsContact O-CG1 3.31Å; L410-I414 WeakPolarHBondContact O-CG1 3.44Å; L410-I414 PolarHBondContact O-N 3.03Å; L410-I414 VanDerWaalsContact O-N 3.15Å
411E97.9Very high97.3Very high67 Ų6764.7 Ų64.731%0.31335%0.346SS..Hα-helixtrans-68.7-39.1178.4-176.4166.5-16600112.3F354 L358 K361 K407 K409 A415F354-E411 HydrophobicContact CZ-CB 4.21Å; L358-E411 HydrophobicContact CD2-CB 4.47Å; L358-E411 HydrophobicContact CD2-CG 4.29Å; K361-E411 IonicContact NZ-OE1 2.75Å; K361-E411 PolarHBondContact NZ-OE1 3.36Å; K407-E411 PolarHBondContact O-N 2.9Å; K407-E411 VanDerWaalsContact O-N 3.1Å; K409-E411 PolarHBondContact O-N 3.44Å; E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.43Å; E411-A415 PolarHBondContact O-N 3.42Å
412A98.4Very high97.3Very high55 Ų5563.5 Ų63.546%0.45534%0.343SS..Hα-helixtrans-62.4-47.3177.100000112.7E408 K409 A415 E416E408-A412 VanDerWaalsContact O-CB 3.28Å; E408-A412 WeakPolarHBondContact O-CB 3.44Å; E408-A412 PolarHBondContact O-N 2.94Å; K409-A412 PolarHBondContact O-N 2.85Å; A412-A415 PolarHBondContact O-N 3.48Å; A412-E416 WeakPolarHBondContact O-CB 3.17Å; A412-E416 PolarHBondContact O-N 3.32Å
413V98.4Very high97.2Very high8 Ų866.4 Ų66.45%0.04836%0.36CS..Hα-helixtrans-65.5-40.7179.7171.90000111.3F392 D400 F402 K409 A415 E416 L417F392-V413 HydrophobicContact CD1-CG1 4.18Å; F392-V413 HydrophobicContact CD2-CG1 3.59Å; F392-V413 HydrophobicContact CE1-CG1 4.11Å; F392-V413 HydrophobicContact CE2-CB 4.31Å; F392-V413 HydrophobicContact CE2-CG1 3.53Å; F392-V413 HydrophobicContact CG-CG1 3.94Å; F392-V413 HydrophobicContact CZ-CB 4.3Å; F392-V413 HydrophobicContact CZ-CG1 3.79Å; D400-V413 HydrophobicContact CB-CG1 4.32Å; D400-V413 WeakPolarHBondContact OD2-CG1 3.35Å; D400-V413 WeakPolarHBondContact OD2-CG2 2.96Å; F402-V413 HydrophobicContact CE1-CG2 4.34Å; K409-V413 HydrophobicContact CD-CG2 4.44Å; K409-V413 HydrophobicContact CG-CG2 3.84Å; K409-V413 WeakPolarHBondContact O-CB 3.29Å; K409-V413 VanDerWaalsContact O-CG2 3.31Å; K409-V413 WeakPolarHBondContact O-CG2 3.1Å; K409-V413 PolarHBondContact O-N 2.95Å; V413-A415 VanDerWaalsContact C-N 3.33Å; V413-A415 PolarHBondContact O-N 2.72Å; V413-E416 PolarHBondContact O-N 3.16Å; V413-L417 HydrophobicContact CG1-CD1 3.46Å; V413-L417 VanDerWaalsContact CG1-CD1 3.46Å; V413-L417 HydrophobicContact CG1-CG 4.09Å; V413-L417 WeakPolarHBondContact O-CB 3.24Å; V413-L417 VanDerWaalsContact O-CG 3.31Å; V413-L417 WeakPolarHBondContact O-CG 3.47Å; V413-L417 PolarHBondContact O-N 2.89Å
414I97.9Very high97.1Very high0 Ų067.4 Ų67.40%036%0.36CS..Hα-helixtrans-62.5-41.8173.8-70.4166.8000110.8A337 L358 V365 F367 F392 L410 K418A337-I414 HydrophobicContact CB-CD1 4.43Å; L358-I414 HydrophobicContact CD1-CD1 4.06Å; V365-I414 HydrophobicContact CG2-CG2 4.33Å; F367-I414 HydrophobicContact CE1-CD1 3.88Å; F367-I414 HydrophobicContact CZ-CD1 4.13Å; F392-I414 HydrophobicContact CD1-CG1 4.42Å; F392-I414 HydrophobicContact CE1-CD1 4.29Å; F392-I414 HydrophobicContact CE1-CG1 3.67Å; F392-I414 HydrophobicContact CZ-CG1 4.49Å; L410-I414 HydrophobicContact CD1-CD1 3.75Å; L410-I414 HydrophobicContact CD1-CG1 4.49Å; L410-I414 HydrophobicContact CG-CD1 4.13Å; L410-I414 WeakPolarHBondContact O-CD1 3.45Å; L410-I414 VanDerWaalsContact O-CG1 3.31Å; L410-I414 WeakPolarHBondContact O-CG1 3.44Å; L410-I414 PolarHBondContact O-N 3.03Å; L410-I414 VanDerWaalsContact O-N 3.15Å; I414-K418 HydrophobicContact CG2-CD 4.37Å; I414-K418 WeakPolarHBondContact O-CB 3.28Å; I414-K418 VanDerWaalsContact O-CD 3.26Å; I414-K418 WeakPolarHBondContact O-CD 3.31Å; I414-K418 WeakPolarHBondContact O-CG 3.32Å; I414-K418 PolarHBondContact O-N 3Å
415A97.4Very high97.1Very high65 Ų6570.7 Ų70.754%0.53737%0.37SS..Hα-helixtrans-69.6-29.1178.800000114.1E411 A412 V413E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.43Å; E411-A415 PolarHBondContact O-N 3.42Å; A412-A415 PolarHBondContact O-N 3.48Å; V413-A415 VanDerWaalsContact C-N 3.33Å; V413-A415 PolarHBondContact O-N 2.72Å
416E97.9Very high97Very high164 Ų16473.3 Ų73.377%0.76638%0.375SS*.Hα-helixtrans-80-39.7176.7-177.6172.6172.400112.6A412 V413A412-E416 WeakPolarHBondContact O-CB 3.17Å; A412-E416 PolarHBondContact O-N 3.32Å; V413-E416 PolarHBondContact O-N 3.16Å
417L96.3Very high96.9Very high42 Ų4271.7 Ų71.722%0.2237%0.366CS..Hα-helixtrans-90.5-8-169.1-66.4-178.5000115.7L335 F392 K394 V399 D400 V413L335-L417 HydrophobicContact CD1-CB 3.82Å; L335-L417 HydrophobicContact CD1-CD1 4.42Å; L335-L417 HydrophobicContact CD2-CB 3.95Å; F392-L417 HydrophobicContact CB-CD1 3.75Å; F392-L417 HydrophobicContact CG-CD1 4.02Å; K394-L417 WeakPolarHBondContact CE-O 3.44Å; K394-L417 PolarHBondContact NZ-O 3.21Å; V399-L417 HydrophobicContact CG2-CD1 3.98Å; D400-L417 HydrophobicContact CB-CD1 3.79Å; V413-L417 HydrophobicContact CG1-CD1 3.46Å; V413-L417 VanDerWaalsContact CG1-CD1 3.46Å; V413-L417 HydrophobicContact CG1-CG 4.09Å; V413-L417 WeakPolarHBondContact O-CB 3.24Å; V413-L417 VanDerWaalsContact O-CG 3.31Å; V413-L417 WeakPolarHBondContact O-CG 3.47Å; V413-L417 PolarHBondContact O-N 2.89Å
418K85.5Confident96.8Very high113 Ų11370.2 Ų70.249%0.49137%0.365SS..  trans-84.60-170.272.3-165.3-153.6105.10114.9L335 D364 V365 K394 I414L335-K418 HydrophobicContact CD2-CB 4.06Å; D364-K418 VanDerWaalsContact CG-NZ 3.3Å; D364-K418 IonicContact OD1-NZ 3.19Å; D364-K418 PolarHBondContact OD1-NZ 3.18Å; D364-K418 IonicContact OD2-NZ 2.61Å; D364-K418 PolarHBondContact OD2-NZ 3.41Å; V365-K418 HydrophobicContact CG2-CB 4.04Å; V365-K418 HydrophobicContact CG2-CD 4.34Å; K394-K418 PolarHBondContact NZ-OXT 2.04Å; I414-K418 HydrophobicContact CG2-CD 4.37Å; I414-K418 WeakPolarHBondContact O-CB 3.28Å; I414-K418 VanDerWaalsContact O-CD 3.26Å; I414-K418 WeakPolarHBondContact O-CD 3.31Å; I414-K418 WeakPolarHBondContact O-CG 3.32Å; I414-K418 PolarHBondContact O-N 3Å

Retrieved 418 of 418 residues in 158.2 ms (Link to these results)