A0A087Y9J2_POEFO Loading...

Rabphilin 3A

AlphaFold DB , UniProt , Accession A0A087Y9J2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low42Very low252 Ų252154.6 Ų154.6100%1.24189%0.885SS**  0113.20-84.6175.4168.100108.2
2Q38Very low42.2Very low196 Ų196152.2 Ų152.292%0.91688%0.879SS**  trans-104.2137.7-179.1-88.2168.1-3.700110.7
3A39Very low42Very low101 Ų101156.3 Ų156.384%0.83588%0.88SS**  trans31.3132.8145.600000122.3
4R38Very low41.8Very low257 Ų257154.4 Ų154.497%0.9788%0.877SS**  trans-117.7127.3151-90.4-174.4165.2-172.2-3.8109.4
5A45.7Very low41.6Very low104 Ų104150.6 Ų150.686%0.8687%0.872SS**PPolyproline II helixtrans-102.2142.3170.700000110.1
6G39.1Very low41.1Very low75 Ų75153 Ų15377%0.77388%0.876SS**PPolyproline II helixtrans-89.4165.1-175.600000115
7Y43.7Very low40.7Very low237 Ų237156.6 Ų156.693%0.92987%0.872SS**PPolyproline II helixtrans-76.8152.9173.1-80.1-92.1000112.8
8P45.7Very low40.3Very low115 Ų115156.9 Ų156.975%0.74787%0.868SS**  trans-118.2167.9154.336.1-24000113.9
9P48.3Very low39.8Very low128 Ų128153.1 Ų153.183%0.83186%0.859SS**  trans-106.7-179.1-159.940.3-31.4000116.2
10V42.8Very low39.4Very low145 Ų145150.8 Ų150.888%0.87986%0.86SS**  trans-59.7149.9-171.7-178.30000116.2
11A42.6Very low38.9Very low91 Ų91147.7 Ų147.775%0.75286%0.861SS**  trans-129.4158.6165.600000112.4
12P44.9Very low38.4Very low125 Ų125139.5 Ų139.581%0.81284%0.841SS**  trans-104.2170.1-150.139-33.5000116.6
13K39.7Very low38.2Very low206 Ų206135.3 Ų135.390%0.89684%0.84SS**  trans-76.4157.9171.7-71.4179175.7176.30112.9
14P38.9Very low37.8Very low130 Ų130134 Ų13484%0.84484%0.836SS**  trans-121.9158.8145.235-22.7000113.4
15A38.5Very low38Very low97 Ų97128.1 Ų128.180%0.80283%0.832SS**  trans-134.2144.5178.600000110.5
16M34.4Very low37.4Very low189 Ų189132.3 Ų132.393%0.93183%0.834SS**  trans161124.8148.4-94.9-179169.900107.5
17R34.1Very low37Very low215 Ų215138.4 Ų138.481%0.81184%0.842SS**  86.7131.951.7-103.6-165.1-177.5-153.91.1115.9
18M33Very low36.4Very low161 Ų161132 Ų13279%0.79384%0.838SS**  trans80146.7164.1-53.7-58.5-16600117.5
19A31.7Very low35.6Very low85 Ų85130.2 Ų130.270%0.70284%0.84SS**  cis-175.2158.4-18.800000108.6
20A31.7Very low34.7Very low107 Ų107133.6 Ų133.688%0.88485%0.845SS**  trans69.9124.6147.900000123.4
21G28.8Very low34.1Very low85 Ų85130.2 Ų130.288%0.87684%0.839SS**  119.7121.4123.800000118.7
22G29Very low33.6Very low80 Ų80131.1 Ų131.183%0.82584%0.84SS**  trans133.594143.600000119.1
23A33Very low33Very low108 Ų108130.8 Ų130.889%0.89384%0.838SS**  trans43.7135.2137.900000123.1
24G29.9Very low32.5Very low73 Ų73127.6 Ų127.675%0.75384%0.836SS**  trans-70.7-167.5175.700000116
25P43.8Very low32Very low134 Ų134127 Ų12787%0.8783%0.83SS**  -135.2163.974.833.7-17.6000116.1
26E32.4Very low31.5Very low193 Ų193131.3 Ų131.390%0.90284%0.835SS**  trans-64.3142.7167.8-73.7171.9104.200112.5
27E30.2Very low31.3Very low202 Ų202132 Ų13294%0.94483%0.833SS**  trans-151.9146.8133.3-128-176.7-174.400111.6
28A30.4Very low31.3Very low104 Ų104131.1 Ų131.186%0.8684%0.835SS**  trans-84.2151.9-158.500000114.8
29G29.3Very low31.2Very low76 Ų76132.3 Ų132.378%0.78484%0.841SS**  trans-160.298.3168.300000111.2G31G29-G31 PolarHBondContact O-N 3.34Å
30Q30.1Very low31.2Very low199 Ų199133.1 Ų133.193%0.9384%0.837SS**  trans-56.7117.5-175.8-68.2162.2-2.300113
31G29.8Very low31.1Very low74 Ų74132.8 Ų132.876%0.76383%0.826SS**  trans-92.4107.1165.400000110.5G29G29-G31 PolarHBondContact O-N 3.34Å
32S32.3Very low31.1Very low110 Ų110135.6 Ų135.677%0.76983%0.826SS**  trans-61.8134.2170.7-70.10000110.9V34S32-V34 PolarHBondContact O-N 3.36Å
33P33.1Very low31.2Very low118 Ų118139.7 Ų139.777%0.76682%0.823SS**  trans-75.7125.2173.129-30000110V35P33-V35 PolarHBondContact O-N 3.32Å; P33-V35 VanDerWaalsContact O-N 3.16Å
34V28.1Very low31Very low140 Ų140140.1 Ų140.185%0.84882%0.82SS**  trans-66.6112.4171.2179.30000108.5S32 M36S32-V34 PolarHBondContact O-N 3.36Å; V34-M36 PolarHBondContact O-N 2.93Å
35V27.7Very low31.1Very low118 Ų118142.4 Ų142.472%0.71582%0.824SS**  trans-63.5113.2176.11750000109.9P33 K37P33-V35 PolarHBondContact O-N 3.32Å; P33-V35 VanDerWaalsContact O-N 3.16Å; V35-K37 PolarHBondContact O-N 3.27Å
36M28.9Very low30.5Very low187 Ų187147 Ų14792%0.92182%0.824SS**  trans-73.5106.2164.1-69.8-174.6177.700108.9V34 K38V34-M36 PolarHBondContact O-N 2.93Å; M36-K38 PolarHBondContact O-N 3.29Å; M36-K38 VanDerWaalsContact O-N 3.15Å
37K31.1Very low30.4Very low203 Ų203142.1 Ų142.188%0.88382%0.816SS**  trans-69.8105.9168.6-81.6-179.4174.61780109.6V35V35-K37 PolarHBondContact O-N 3.27Å
38K32.3Very low30.7Very low197 Ų197141.5 Ų141.586%0.85781%0.813SS**  trans-81.6139.2155.1-106.8179.8175.6176.60108.7M36M36-K38 PolarHBondContact O-N 3.29Å; M36-K38 VanDerWaalsContact O-N 3.15Å
39M30.7Very low31Very low185 Ų185142.4 Ų142.491%0.91181%0.811SS**  trans167.7141.3154.5-100.3176.888.900108.2
40V31.8Very low31.1Very low102 Ų102143.6 Ų143.662%0.61881%0.813SS**  cis-154.1146.93.5-168.90000107.7
41P30.3Very low31.2Very low101 Ų101139 Ų13966%0.65681%0.809SS**  trans-76.3126.8163.728.9-28.5000111.3H43P41-H43 PolarHBondContact O-N 3.05Å
42V29.6Very low31.4Very low144 Ų144141.1 Ų141.187%0.87381%0.812SS**  trans-78.7104.3173.51790000108.9
43H30.9Very low31.4Very low165 Ų165140.6 Ų140.676%0.76482%0.815SS**  trans-71.6125.9163.3-83.2-83.9000109.4P41 S45P41-H43 PolarHBondContact O-N 3.05Å; H43-S45 PolarHBondContact O-N 2.9Å
44S29.1Very low31.3Very low118 Ų118139.9 Ų139.983%0.82582%0.819SS**  trans-73.8106167.3-175.40000108.9R46S44-R46 PolarHBondContact O-N 3.49Å
45S30.4Very low31.4Very low121 Ų121141 Ų14185%0.84682%0.819SS**  trans-83.699.9167.238.80000109.1H43H43-S45 PolarHBondContact O-N 2.9Å
46R32.2Very low31.7Very low231 Ų231140.5 Ų140.587%0.87282%0.821SS**PPolyproline II helixtrans-98.8117.6163.8-173.8170.8179.8172.70.4109.3S44S44-R46 PolarHBondContact O-N 3.49Å
47A30Very low31.9Very low89 Ų89140.6 Ų140.674%0.73682%0.819SS**PPolyproline II helixtrans-65134.8170.200000110.7
48Q36.8Very low31.8Very low189 Ų189140 Ų14088%0.88382%0.82SS**PPolyproline II helixtrans-78.1134.9168.5-69.2178.2-27.500109.4
49P35.8Very low31.5Very low124 Ų124134.1 Ų134.181%0.80582%0.815SS**PPolyproline II helixtrans-81.5127.2159.427.4-23.6000109.9
50A31.8Very low32.3Very low101 Ų101131.1 Ų131.184%0.83581%0.809SS**PPolyproline II helixtrans-60.3128.4168.700000110.4
51A32.4Very low32.2Very low101 Ų101132.7 Ų132.784%0.83582%0.818SS**  trans-105.6113.4162.900000108.1
52S34.9Very low32.2Very low120 Ų120132.5 Ų132.584%0.83983%0.825SS**  trans-61.9133.5176.7-33.30000111
53A31.1Very low32.2Very low99 Ų99129.4 Ų129.482%0.81882%0.822SS**  trans-73.7134.4162.500000110
54A31.7Very low32.2Very low103 Ų103129 Ų12985%0.85183%0.826SS**  trans-147.2117.1150.900000108.8
55L31Very low32.3Very low162 Ų162129 Ų12985%0.84882%0.821SS**  trans-70.6147.9170.2-81.789.6000111.5
56S32.3Very low32.2Very low109 Ų109126.5 Ų126.576%0.76281%0.814SS**  trans146.4149.3133.352.60000110
57Q33.1Very low32Very low188 Ų188118 Ų11888%0.87980%0.798SS**  cis-161.5150.6-20.7-104.9-176.45900104.6
58Q29.5Very low32.1Very low192 Ų192124 Ų12490%0.89780%0.803SS**  trans-82.4152166.4-74.6171.6-4.400110.3
59G26.9Very low31.8Very low73 Ų73119.4 Ų119.475%0.75380%0.798SS**  trans-68.7-146.8-170.500000117.1
60P45.8Very low31.6Very low122 Ų122117.7 Ų117.779%0.79279%0.789SS**  cis-142.1-168.12.332.8-6.9000116.2
61V30.3Very low31.6Very low134 Ų134120.5 Ų120.581%0.81279%0.785SS**  trans84.7128.6151.9-137.60000123
62A30.2Very low31.6Very low97 Ų97122.6 Ų122.680%0.80278%0.777SS**  trans102.9129.9134.400000121.5
63G29.9Very low31.1Very low79 Ų79128 Ų12881%0.81478%0.779SS**  trans89.5138.5159.600000114.4
64D30.8Very low31.1Very low156 Ų156127.2 Ų127.283%0.83477%0.773SS**  cis-166.3169.38.7-168.826.6000108.8
65V30.8Very low31.8Very low120 Ų120128.1 Ų128.173%0.72777%0.77SS**  trans-38.1144.3-174.8170.20000121.1
66G29Very low32.9Very low68 Ų68126 Ų12670%0.70177%0.766SS**  trans77.8139.3133.200000117.7
67G29.1Very low32.8Very low52 Ų52125.2 Ų125.254%0.53677%0.766SS.*  cis172.1174.74.700000108.7
68Y30.7Very low32.9Very low214 Ų214123 Ų12384%0.83977%0.765SS**  trans71.4104.7157.5-24.1-71.7000115.8
69A31.6Very low33Very low94 Ų94124.3 Ų124.378%0.77776%0.762SS**  77.4135.792.300000110.9
70S31.1Very low33.1Very low88 Ų88127.7 Ų127.762%0.61576%0.758SS**  cis176.9149.315.829.50000105.9
71E31.7Very low32.5Very low160 Ų160128.6 Ų128.675%0.74876%0.756SS**  trans66.5150.5140.7-69.4-177.8123.800117.7
72Q31.3Very low32.5Very low144 Ų144133.2 Ų133.267%0.67376%0.759SS**  cis-168.51456.7-120.6169.629.300106.3
73R26.4Very low32.6Very low233 Ų233140 Ų14088%0.87976%0.764SS**  63.4112.8129.7-138.5170-154.2-158.32.4120.4
74A30.8Very low32.7Very low84 Ų84145.3 Ų145.369%0.69477%0.768SS**  trans-32.7171.6147.600000115.1
75P45.3Very low33.2Very low121 Ų121143.2 Ų143.279%0.78676%0.762SS**  cis-155.7-145.135.650.2-25.4000114.4
76P54.1Low33.2Very low119 Ų119142.1 Ų142.177%0.77377%0.766SS**  -127178.7-130271.2000114.5
77A31.3Very low33.3Very low92 Ų92143.7 Ų143.776%0.7677%0.772SS**  trans175.6115.3155.400000108.1
78V33.5Very low33.6Very low140 Ų140152 Ų15285%0.84879%0.789SS**  59.3115.970.7-161.40000115.4
79R32.2Very low33.9Very low220 Ų220147.3 Ų147.383%0.8379%0.788SS**  trans126.3151.9152.3-81.8-168.1152.1151.33.7113.7
80E30Very low34.3Very low144 Ų144149.6 Ų149.667%0.67379%0.792SS**  cis-175138.4-26.2-149.1175.5153.900103.8
81D31.6Very low34.9Very low141 Ų141150.8 Ų150.875%0.75480%0.798SS**  trans64152.2145.9-127.6-26.6000124.8
82R32.1Very low35.3Very low232 Ų232148.7 Ų148.788%0.87580%0.798SS**  trans101.3114.4150.9-78.9-178.3160.2-174.6-6121.8
83R30.8Very low35.7Very low238 Ų238148 Ų14890%0.89881%0.806SS**  trans-65.2147.3163.1-60.4172.2176.1-179.9-2.4112.5
84Q33.2Very low36.4Very low192 Ų192148.4 Ų148.490%0.89781%0.808SS**  178.1165.8124.5-98.8-170.11500112.4
85P40.8Very low37Very low112 Ų112153.5 Ų153.573%0.72782%0.817SS**  trans-113.6180-136.143.1-35.2000116.2
86A29.8Very low36.7Very low97 Ų97156.7 Ų156.780%0.80282%0.822SS**  trans85117.6155.800000118.6
87A32.7Very low36.3Very low101 Ų101156.3 Ų156.384%0.83582%0.819SS**  177.4146.7108.700000111.1
88Y34.8Very low37.1Very low225 Ų225157.5 Ų157.588%0.88282%0.819SS**  trans-60.9136.6-175-79.4-106.7000114.2
89S35.9Very low37.4Very low117 Ų117156.5 Ų156.582%0.81882%0.815SS**  trans-158.3115.3149.7-72.40000109.4
90T40.2Very low37.7Very low142 Ų142150.4 Ų150.487%0.87181%0.812SS**PPolyproline II helixtrans-73.3130.3-178.68.30000112.2
91P43.8Very low38.1Very low112 Ų112151.4 Ų151.473%0.72782%0.822SS**PPolyproline II helixtrans-95.7158.4161.4-0.721.1000112.2
92P41.4Very low38.9Very low117 Ų117153.1 Ų153.176%0.7683%0.826SS**PPolyproline II helixtrans-73.8168.9-173.234.1-35.9000112.5R94P92-R94 PolarHBondContact O-N 3.36Å
93P39.2Very low39.5Very low130 Ų130150.9 Ų150.984%0.84483%0.825SS**PPolyproline II helixtrans-72.9123.8-152.429.3-32.3000112.4
94R41.1Very low39.9Very low241 Ų241148.9 Ų148.991%0.90983%0.826SS**PPolyproline II helixtrans-76.9128.5159.2-87.1-179.3173.2-176.1-2.6108.5P92 Q96P92-R94 PolarHBondContact O-N 3.36Å; R94-Q96 PolarHBondContact O-N 2.82Å
95Q44Very low40.6Very low190 Ų190149.5 Ų149.589%0.88883%0.829SS**PPolyproline II helixtrans-48.7129.4168-71169.3-7.900109.5
96Q39Very low40.4Very low188 Ų188147.8 Ų147.888%0.87982%0.824SS**PPolyproline II helixtrans-61127.4173.6-75.8173-24.900109.1R94R94-Q96 PolarHBondContact O-N 2.82Å
97P45Very low40.7Very low112 Ų112149.9 Ų149.973%0.72782%0.822SS**PPolyproline II helixtrans-66.1142.1154.729-29.3000108
98P48.9Very low40.9Very low117 Ų117152.6 Ų152.676%0.7682%0.822SS**PPolyproline II helixtrans-60.2152.9175.225.8-31.7000110.5
99P39.5Very low41.1Very low118 Ų118152.1 Ų152.177%0.76682%0.82SS**PPolyproline II helixtrans-61.6146.7-177.726.2-32.1000110.7D101P99-D101 PolarHBondContact O-N 3.26Å
100A38.3Very low41.1Very low93 Ų93151.9 Ų151.977%0.76981%0.81SS**PPolyproline II helixtrans-55.2125.317700000110.5E102A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.98Å
101D37.4Very low41.1Very low165 Ų165149.6 Ų149.688%0.88280%0.8SS**  trans-64.789.5162.9-65.3-47.2000107.9P99P99-D101 PolarHBondContact O-N 3.26Å
102E48.8Very low41.1Very low177 Ų177147.6 Ų147.683%0.82778%0.783SS**  trans-74.2115.2147.1-73.3-179.217600106A100A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.98Å
103E44.9Very low41.2Very low185 Ų185146.2 Ų146.286%0.86477%0.766SS**  trans13777.9159.9-73.8176.6-156.800112.9
104E40.2Very low41.4Very low195 Ų195143.2 Ų143.291%0.91175%0.753SS**  trans-135.858.9145.6-78.3-161.2165.900110
105E46.4Very low41.9Very low206 Ų206134.8 Ų134.896%0.96373%0.728SS**  trans-95.177.9145.1-94.4-165.616000107.2
106A36.9Very low42.7Very low75 Ų75128.9 Ų128.962%0.6271%0.705SS**  trans-130.197.717700000110.8
107N37Very low44.5Very low141 Ų141120.3 Ų120.375%0.75467%0.665SS**  trans80.260.8152-49.9-48.9000118.3Y109N107-Y109 PolarHBondContact O-N 2.78Å
108D36.7Very low46.3Very low158 Ų158115.4 Ų115.485%0.84564%0.635SS**  trans-86.155.9149.8-162.130.7000110.8D110D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.71Å
109Y38.2Very low48.1Very low215 Ų215110.9 Ų110.984%0.84361%0.606SS**  trans-89.282.4167.3-91.8-76.7000108.6N107 S111N107-Y109 PolarHBondContact O-N 2.78Å; Y109-S111 VanDerWaalsContact C-N 3.29Å; Y109-S111 PolarHBondContact O-N 3.34Å
110D35.8Very low50.6Low113 Ų113105.2 Ų105.260%0.60457%0.569SS**  trans-56.785165.1-174.416.6000110.7D108D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.71Å
111S40.9Very low53.2Low93 Ų93103.5 Ų103.565%0.6555%0.545SS*.  trans-100.9103167.2-1680000108.2Y109Y109-S111 VanDerWaalsContact C-N 3.29Å; Y109-S111 PolarHBondContact O-N 3.34Å
112D43.3Very low56Low70 Ų7095.6 Ų95.637%0.37450%0.503SS..  trans134.322.3144.9-62.9-4.1000117A114D112-A114 PolarHBondContact O-N 2.88Å; D112-A114 VanDerWaalsContact O-N 3.13Å
113E43.3Very low58.1Low89 Ų8987.2 Ų87.242%0.41646%0.464SS..THydrogen-bonded Turntrans-63.2-15.1171.7-75.4-131.2111.300115R179E113-R179 VanDerWaalsContact CD-CZ 3.48Å; E113-R179 IonicContact OE1-CZ 2.92Å; E113-R179 IonicContact OE1-NE 2.74Å; E113-R179 IonicContact OE1-NH1 3.36Å; E113-R179 PolarHBondContact OE1-NH1 2.88Å; E113-R179 VanDerWaalsContact OE1-NH1 3.09Å; E113-R179 IonicContact OE1-NH2 2.7Å; E113-R179 PolarHBondContact OE1-NH2 3.04Å; E113-R179 IonicContact OE2-CZ 3.57Å; E113-R179 IonicContact OE2-NH1 3.56Å; E113-R179 PolarHBondContact OE2-NH1 3.13Å; E113-R179 IonicContact OE2-NH2 2.71Å; E113-R179 PolarHBondContact OE2-NH2 3.26Å
114A43.8Very low60.5Low67 Ų6778.4 Ų78.455%0.55442%0.423SS*.THydrogen-bonded Turntrans-86.2-18.2-172.700000115.8D112 K144D112-A114 PolarHBondContact O-N 2.88Å; D112-A114 VanDerWaalsContact O-N 3.13Å; A114-K144 PolarHBondContact O-NZ 2.74Å
115T50.6Low63.1Low63 Ų6371 Ų7139%0.38739%0.389SS..THydrogen-bonded Turntrans-122.9-3.4-164.568.30000116.9R277T115-R277 PolarHBondContact O-NH1 3.39Å; T115-R277 VanDerWaalsContact O-NH1 3.1Å; T115-R277 PolarHBondContact O-NH2 2.84Å; T115-R277 PolarHBondContact OG1-NH1 2.61Å
116T62.3Low65.3Low66 Ų6661.5 Ų61.541%0.40535%0.345SS..  trans-101.2126.8172.258.40000109G118T116-G118 PolarHBondContact O-N 3.26Å
117L75.9Confident67.9Low8 Ų859.9 Ų59.94%0.04233%0.326CS..  trans-73.6-6.7175.6-62.7-178.6000112.5K144 I218 L240 E241 R242L117-K144 HydrophobicContact CD2-CB 4.37Å; L117-K144 HydrophobicContact CD2-CD 3.85Å; L117-K144 PolarHBondContact O-N 3.3Å; L117-I218 WeakPolarHBondContact CD1-O 3.42Å; L117-I218 VanDerWaalsContact CD2-O 3.28Å; L117-I218 WeakPolarHBondContact CD2-O 3.23Å; L117-I218 WeakPolarHBondContact O-CG2 3.28Å; L117-L240 HydrophobicContact CB-CB 3.91Å; L117-L240 WeakPolarHBondContact CD1-O 3.41Å; L117-E241 VanDerWaalsContact CD1-C 3.45Å; L117-R242 HydrophobicContact CD1-CB 4.22Å; L117-R242 HydrophobicContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-N 3.35Å; L117-R242 HydrophobicContact CD2-CG 4.25Å; L117-R242 HydrophobicContact CG-CG 4.2Å
118G84.1Confident70.2Confident9 Ų956.4 Ų56.49%0.09331%0.305CS..  trans90.9179.6-171.500000113.5T116 K141 G142 L240T116-G118 PolarHBondContact O-N 3.26Å; G118-K141 CarbonylContact C-O 3.56Å; G118-K141 WeakPolarHBondContact CA-O 3.41Å; G118-G142 WeakPolarHBondContact CA-O 3.29Å; G118-G142 PolarHBondContact N-O 3.2Å; G118-L240 PolarHBondContact O-N 2.83Å
119S85.8Confident72.7Confident22 Ų2257.3 Ų57.315%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-119.9154.7175.574.20000111.6G140 K141 V238S119-G140 CarbonylContact O-C 3.53Å; S119-G140 WeakPolarHBondContact O-CA 3.37Å; S119-K141 PolarHBondContact N-O 3.49Å; S119-K141 PolarHBondContact O-N 3.03Å; S119-V238 CarbonylContact C-O 3.49Å; S119-V238 WeakPolarHBondContact CA-O 3.38Å; S119-V238 WeakPolarHBondContact CB-O 3.47Å
120L92.4Very high75.1Confident0 Ų049.6 Ų49.60%028%0.282CS..EExtended strand (participates in β ladder)trans-122.2127.4177.8-17768.3000110F122 I137 V156 W183 L204 V206 T221 V238 L240L120-F122 HydrophobicContact CD2-CD1 3.97Å; L120-F122 HydrophobicContact CD2-CE1 4.34Å; L120-F122 HydrophobicContact CG-CD1 3.95Å; L120-I137 HydrophobicContact CD1-CG2 4.3Å; L120-V156 HydrophobicContact CD1-CG2 4Å; L120-V156 HydrophobicContact CD2-CG1 4.12Å; L120-W183 HydrophobicContact CD1-CE3 4.37Å; L120-W183 HydrophobicContact CD1-CH2 4.19Å; L120-W183 HydrophobicContact CD1-CZ3 3.56Å; L120-L204 HydrophobicContact CD2-CB 4.12Å; L120-L204 HydrophobicContact CD2-CD2 4.06Å; L120-V206 HydrophobicContact CD1-CG2 4.37Å; L120-V206 HydrophobicContact CD2-CG2 4.12Å; L120-T221 HydrophobicContact CD2-CG2 4.42Å; L120-V238 PolarHBondContact N-O 2.8Å; L120-V238 PolarHBondContact O-N 3.06Å; L120-L240 HydrophobicContact CB-CD2 3.94Å; L120-L240 HydrophobicContact CB-CG 4.46Å; L120-L240 HydrophobicContact CD2-CD2 4.49Å
121E92.1Very high77.6Confident56 Ų5647.7 Ų47.726%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-105.5123.5174.6-162.9-178.4139.600110.2L138 K139 F236 N237E121-L138 HydrophobicContact CB-CB 4.47Å; E121-L138 HydrophobicContact CG-CD1 4.15Å; E121-L138 WeakPolarHBondContact O-CB 3.02Å; E121-L138 PolarHBondContact O-N 3.17Å; E121-K139 HydrophobicContact CB-CG 3.98Å; E121-K139 PolarHBondContact N-O 3.12Å; E121-K139 PolarHBondContact O-N 3.42Å; E121-K139 WeakPolarHBondContact OE2-CE 3.04Å; E121-K139 IonicContact OE2-NZ 3.06Å; E121-F236 CarbonylContact C-O 3.5Å; E121-F236 VanDerWaalsContact CA-O 3.27Å; E121-F236 WeakPolarHBondContact CA-O 3.24Å; E121-N237 HydrophobicContact CG-CB 4.37Å
122F95.9Very high80Confident0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-152.8156.7-17964.3-83.9000112L120 L124 S136 I137 L204 T221 V223 F236 V238L120-F122 HydrophobicContact CD2-CD1 3.97Å; L120-F122 HydrophobicContact CD2-CE1 4.34Å; L120-F122 HydrophobicContact CG-CD1 3.95Å; F122-L124 HydrophobicContact CD2-CD1 4.5Å; F122-L124 HydrophobicContact CD2-CD2 3.88Å; F122-L124 HydrophobicContact CD2-CG 3.92Å; F122-L124 HydrophobicContact CE2-CD1 3.95Å; F122-L124 HydrophobicContact CE2-CD2 4.11Å; F122-L124 HydrophobicContact CE2-CG 3.87Å; F122-S136 CarbonylContact C-O 3.52Å; F122-S136 WeakPolarHBondContact CA-O 3.28Å; F122-S136 WeakPolarHBondContact CB-O 3.41Å; F122-I137 HydrophobicContact CB-CD1 3.88Å; F122-L204 HydrophobicContact CD1-CD2 4.13Å; F122-L204 HydrophobicContact CD2-CD2 3.95Å; F122-L204 HydrophobicContact CE1-CD1 4.42Å; F122-L204 HydrophobicContact CE1-CD2 4.27Å; F122-L204 HydrophobicContact CE2-CD1 3.96Å; F122-L204 HydrophobicContact CE2-CD2 4.13Å; F122-L204 HydrophobicContact CG-CD2 3.95Å; F122-L204 HydrophobicContact CZ-CD1 3.86Å; F122-L204 HydrophobicContact CZ-CD2 4.28Å; F122-T221 HydrophobicContact CE1-CG2 4.04Å; F122-T221 HydrophobicContact CZ-CG2 4.34Å; F122-V223 HydrophobicContact CE2-CG2 3.99Å; F122-V223 HydrophobicContact CZ-CG2 3.74Å; F122-F236 HydrophobicContact CD1-CB 4.08Å; F122-F236 HydrophobicContact CD2-CB 4.21Å; F122-F236 AromaticContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CG 4.42Å; F122-F236 HydrophobicContact CE1-CB 3.73Å; F122-F236 HydrophobicContact CE1-CG 4.46Å; F122-F236 HydrophobicContact CE2-CB 3.83Å; F122-F236 AromaticContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CE2 4.26Å; F122-F236 AromaticContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CG-CB 4.33Å; F122-F236 HydrophobicContact CZ-CB 3.58Å; F122-F236 HydrophobicContact CZ-CD1 4.49Å; F122-F236 HydrophobicContact CZ-CD2 4.09Å; F122-F236 AromaticContact CZ-CG 3.82Å; F122-F236 HydrophobicContact CZ-CG 3.82Å; F122-F236 PolarHBondContact N-O 3.49Å; F122-F236 PolarHBondContact O-N 3.49Å; F122-V238 HydrophobicContact CE1-CG2 3.69Å; F122-V238 HydrophobicContact CZ-CG2 4.47Å
123G94Very high82.4Confident1 Ų140.1 Ų40.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-117.2138.817500000111.5C135 S136 K234G123-C135 CarbonylContact O-C 3.55Å; G123-S136 PolarHBondContact N-O 2.9Å; G123-S136 PolarHBondContact O-N 2.68Å; G123-K234 CarbonylContact C-O 3.53Å; G123-K234 VanDerWaalsContact CA-O 3.32Å; G123-K234 WeakPolarHBondContact CA-O 3.37Å
124L95Very high84.8Confident0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-116.6134.3173.1-56.3-177.8000110F122 Q134 C135 L202 V223 L228 K233 K234 F236F122-L124 HydrophobicContact CD2-CD1 4.5Å; F122-L124 HydrophobicContact CD2-CD2 3.88Å; F122-L124 HydrophobicContact CD2-CG 3.92Å; F122-L124 HydrophobicContact CE2-CD1 3.95Å; F122-L124 HydrophobicContact CE2-CD2 4.11Å; F122-L124 HydrophobicContact CE2-CG 3.87Å; L124-Q134 WeakPolarHBondContact CA-O 3.28Å; L124-C135 HydrophobicContact CD2-CB 3.93Å; L124-L202 HydrophobicContact CD1-CD2 3.91Å; L124-L202 HydrophobicContact CD2-CD2 3.56Å; L124-L202 HydrophobicContact CG-CD2 4.42Å; L124-V223 HydrophobicContact CD1-CB 4.12Å; L124-V223 HydrophobicContact CD1-CG1 3.87Å; L124-V223 HydrophobicContact CD1-CG2 4.34Å; L124-L228 HydrophobicContact CB-CD1 3.91Å; L124-L228 HydrophobicContact CB-CD2 3.98Å; L124-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD1-CD2 4.18Å; L124-K233 WeakPolarHBondContact O-CA 3.48Å; L124-K234 PolarHBondContact N-O 3.38Å; L124-K234 PolarHBondContact O-N 3.04Å; L124-F236 HydrophobicContact CB-CE2 4.09Å; L124-F236 HydrophobicContact CD1-CD2 4.42Å; L124-F236 HydrophobicContact CD1-CE2 3.82Å; L124-F236 HydrophobicContact CD1-CZ 4.4Å; L124-F236 HydrophobicContact CG-CD2 4.21Å; L124-F236 HydrophobicContact CG-CE2 3.85Å
125L94.6Very high87.3Confident38 Ų3835.7 Ų35.720%0.19919%0.192CC..EExtended strand (participates in β ladder)trans-135.7118.6174.1170.865.5000108.4Q134 K233L125-Q134 HydrophobicContact CB-CB 4.34Å; L125-Q134 PolarHBondContact N-O 3.06Å; L125-Q134 PolarHBondContact O-N 2.79Å; L125-K233 HydrophobicContact CB-CB 4.25Å; L125-K233 HydrophobicContact CB-CG 4.41Å; L125-K233 HydrophobicContact CD1-CB 4.32Å
126Y92.6Very high89.5Confident8 Ų833.3 Ų33.33%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-94.8116.5168.5176.8-117.3000108.5Q128 S132 L192 D194 M197 N231Y126-Q128 HydrophobicContact CE1-CB 4.11Å; Y126-Q128 HydrophobicContact CE1-CG 4.34Å; Y126-S132 WeakPolarHBondContact CA-O 3.43Å; Y126-L192 HydrophobicContact CE2-CB 4.24Å; Y126-L192 PolarHBondContact OH-O 3.12Å; Y126-D194 PolarHBondContact OH-OD1 3.35Å; Y126-M197 HydrophobicContact CD1-CE 3.88Å; Y126-M197 HydrophobicContact CD1-CG 4.18Å; Y126-M197 HydrophobicContact CD1-SD 4.31Å; Y126-M197 HydrophobicContact CD2-CE 3.99Å; Y126-M197 HydrophobicContact CD2-CG 4.11Å; Y126-M197 HydrophobicContact CD2-SD 3.61Å; Y126-M197 HydrophobicContact CE1-CE 4.48Å; Y126-M197 HydrophobicContact CE1-CG 3.84Å; Y126-M197 HydrophobicContact CE1-SD 4.49Å; Y126-M197 HydrophobicContact CE2-CG 3.76Å; Y126-M197 HydrophobicContact CE2-SD 3.83Å; Y126-M197 HydrophobicContact CG-CE 3.58Å; Y126-M197 HydrophobicContact CG-CG 4.29Å; Y126-M197 HydrophobicContact CG-SD 3.86Å; Y126-N231 WeakPolarHBondContact O-CA 3.33Å; Y126-N231 PolarHBondContact O-N 3.08Å; Y126-N231 PolarHBondContact O-OD1 3.3Å
127D91.3Very high91.2Very high40 Ų4030.1 Ų30.121%0.21416%0.158CC..EExtended strand (participates in β ladder)trans-97.1112171.8175.515.5000108.8E129 S130 N131 S132 N231D127-E129 PolarHBondContact OD1-N 2.65Å; D127-E129 VanDerWaalsContact OD1-N 3.07Å; D127-S130 WeakPolarHBondContact CB-OG 3.42Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-OG 3.09Å; D127-N131 WeakPolarHBondContact O-CA 3.03Å; D127-N131 PolarHBondContact O-N 3.08Å; D127-N131 VanDerWaalsContact O-N 3.11Å; D127-S132 PolarHBondContact N-O 3.49Å; D127-S132 PolarHBondContact O-N 2.81Å; D127-N231 WeakPolarHBondContact CA-OD1 3.21Å
128Q86.1Confident92Very high69 Ų6931.7 Ų31.732%0.32217%0.166SC..THydrogen-bonded Turntrans-73.7-30.5-176.9-169.8175.513.600111.9Y126 S130 N131 D194 N231Y126-Q128 HydrophobicContact CE1-CB 4.11Å; Y126-Q128 HydrophobicContact CE1-CG 4.34Å; Q128-S130 VanDerWaalsContact C-N 3.31Å; Q128-S130 PolarHBondContact O-N 3.11Å; Q128-N131 PolarHBondContact O-N 3.38Å; Q128-N131 PolarHBondContact O-OD1 2.9Å; Q128-D194 PolarHBondContact NE2-OD2 2.73Å; Q128-N231 PolarHBondContact N-OD1 2.98Å
129E88Confident92.4Very high176 Ų17635.7 Ų35.782%0.82218%0.181SC*.THydrogen-bonded Turntrans-67.5-37.3-178.2-66.4-177-17800111D127D127-E129 PolarHBondContact OD1-N 2.65Å; D127-E129 VanDerWaalsContact OD1-N 3.07Å
130S88.9Confident92.7Very high54 Ų5434.9 Ų34.938%0.37818%0.176SC..THydrogen-bonded Turntrans-971.8177.9660000114.3D127 Q128 S132D127-S130 WeakPolarHBondContact CB-OG 3.42Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-OG 3.09Å; Q128-S130 VanDerWaalsContact C-N 3.31Å; Q128-S130 PolarHBondContact O-N 3.11Å; S130-S132 PolarHBondContact O-N 3.12Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-OG 2.64Å
131N89.1Confident92.5Very high72 Ų7241.8 Ų41.839%0.38521%0.206SC..THydrogen-bonded Turntrans46.145.5-172.1-68.5-48.3000112D127 Q128 G191 L192D127-N131 WeakPolarHBondContact O-CA 3.03Å; D127-N131 PolarHBondContact O-N 3.08Å; D127-N131 VanDerWaalsContact O-N 3.11Å; Q128-N131 PolarHBondContact O-N 3.38Å; Q128-N131 PolarHBondContact O-OD1 2.9Å; N131-G191 PolarHBondContact O-N 3.25Å; N131-L192 WeakPolarHBondContact CB-O 3.19Å; N131-L192 PolarHBondContact O-N 3.47Å
132S91.1Very high92.1Very high4 Ų440.3 Ų40.33%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-127.1138.2-172.978.60000113.2Y126 D127 S130 Y189Y126-S132 WeakPolarHBondContact CA-O 3.43Å; D127-S132 PolarHBondContact N-O 3.49Å; D127-S132 PolarHBondContact O-N 2.81Å; S130-S132 PolarHBondContact O-N 3.12Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-OG 2.64Å; S132-Y189 CarbonylContact C-O 3.55Å; S132-Y189 WeakPolarHBondContact CA-O 3.32Å; S132-Y189 WeakPolarHBondContact CB-O 3.24Å
133L93Very high91.6Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-105.8108.1173.317871.2000109L160 T188 Y189 L192 L202 L225 L228L133-L160 HydrophobicContact CD2-CD2 4.46Å; L133-T188 WeakPolarHBondContact O-CA 2.8Å; L133-Y189 HydrophobicContact CD2-CD2 4.45Å; L133-Y189 PolarHBondContact N-O 3.07Å; L133-Y189 PolarHBondContact O-N 3.05Å; L133-L192 HydrophobicContact CB-CD1 3.31Å; L133-L192 HydrophobicContact CD2-CD1 4.08Å; L133-L192 HydrophobicContact CG-CD1 4.34Å; L133-L202 HydrophobicContact CD2-CD2 4.45Å; L133-L225 HydrophobicContact CD2-CD1 4.18Å; L133-L225 HydrophobicContact CD2-CD2 3.71Å; L133-L228 HydrophobicContact CD1-CD1 3.78Å
134Q94.8Very high91Very high64 Ų6442.4 Ų42.430%0.29922%0.215SC..EExtended strand (participates in β ladder)trans-84.9123.5173.4-60.1-179.28.900109.9L124 L125 T186 T188L124-Q134 WeakPolarHBondContact CA-O 3.28Å; L125-Q134 HydrophobicContact CB-CB 4.34Å; L125-Q134 PolarHBondContact N-O 3.06Å; L125-Q134 PolarHBondContact O-N 2.79Å; Q134-T186 HydrophobicContact CB-CG2 4.19Å; Q134-T188 HydrophobicContact CG-CG2 4.22Å
135C95.8Very high90.3Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-113.596.6177.7-54.40000109.1G123 L124 I137 L158 T186 L187G123-C135 CarbonylContact O-C 3.55Å; L124-C135 HydrophobicContact CD2-CB 3.93Å; C135-I137 PolarHBondContact O-N 3.41Å; C135-L158 HydrophobicContact CB-CD2 3.43Å; C135-L158 VanDerWaalsContact CB-CD2 3.43Å; C135-T186 WeakPolarHBondContact O-CA 3.2Å; C135-L187 WeakPolarHBondContact CA-O 3.1Å; C135-L187 VanDerWaalsContact CB-O 3.31Å; C135-L187 WeakPolarHBondContact CB-O 3.44Å; C135-L187 PolarHBondContact N-O 2.96Å; C135-L187 PolarHBondContact O-N 3.16Å
136S96.8Very high89.5Confident12 Ų1243.9 Ų43.98%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-84.2102.5175.7-59.40000110.4F122 G123 E185 T186F122-S136 CarbonylContact C-O 3.52Å; F122-S136 WeakPolarHBondContact CA-O 3.28Å; F122-S136 WeakPolarHBondContact CB-O 3.41Å; G123-S136 PolarHBondContact N-O 2.9Å; G123-S136 PolarHBondContact O-N 2.68Å; S136-E185 CarbonylContact C-O 3.53Å; S136-T186 PolarHBondContact OG-OG1 3.24Å
137I97Very high88.8Confident0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-85.4112.4175.2-49.5-51.7000108.5L120 F122 C135 V156 L158 T172 W183 N184 E185 L204L120-I137 HydrophobicContact CD1-CG2 4.3Å; F122-I137 HydrophobicContact CB-CD1 3.88Å; C135-I137 PolarHBondContact O-N 3.41Å; I137-V156 HydrophobicContact CG2-CB 4.26Å; I137-V156 HydrophobicContact CG2-CG2 3.84Å; I137-L158 HydrophobicContact CD1-CD1 4.11Å; I137-L158 HydrophobicContact CD1-CD2 4.4Å; I137-L158 HydrophobicContact CG1-CD1 4.25Å; I137-T172 HydrophobicContact CB-CG2 3.96Å; I137-T172 HydrophobicContact CG1-CG2 3.87Å; I137-T172 HydrophobicContact CG2-CG2 4.05Å; I137-W183 HydrophobicContact CG2-CB 4.35Å; I137-W183 HydrophobicContact CG2-CD2 4.19Å; I137-W183 HydrophobicContact CG2-CE3 3.78Å; I137-W183 HydrophobicContact CG2-CG 4.46Å; I137-W183 HydrophobicContact CG2-CZ3 4.4Å; I137-N184 CarbonylContact O-C 3.5Å; I137-N184 VanDerWaalsContact O-CA 3.3Å; I137-N184 WeakPolarHBondContact O-CA 3.28Å; I137-N184 PolarHBondContact O-N 3.23Å; I137-N184 VanDerWaalsContact O-N 3.08Å; I137-E185 PolarHBondContact N-O 3.47Å; I137-E185 PolarHBondContact O-N 3.01Å; I137-L204 HydrophobicContact CD1-CD2 3.62Å
138L94Very high87.8Confident41 Ų4149.6 Ų49.622%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-91.9-69.3-170.9-60.2173.8000110.8E121 V182 W183 N184E121-L138 HydrophobicContact CB-CB 4.47Å; E121-L138 HydrophobicContact CG-CD1 4.15Å; E121-L138 WeakPolarHBondContact O-CB 3.02Å; E121-L138 PolarHBondContact O-N 3.17Å; L138-V182 CarbonylContact O-C 3.43Å; L138-W183 PolarHBondContact O-N 3.31Å; L138-N184 PolarHBondContact O-N 3.43Å; L138-N184 PolarHBondContact O-OD1 3.33Å
139K92.9Very high87.3Confident93 Ų9350.4 Ų50.440%0.40427%0.272SS..EExtended strand (participates in β ladder)trans-156.8157.3-175.161.2-179.3176.3-175.10112.8E121 P181 V182E121-K139 HydrophobicContact CB-CG 3.98Å; E121-K139 PolarHBondContact N-O 3.12Å; E121-K139 PolarHBondContact O-N 3.42Å; E121-K139 WeakPolarHBondContact OE2-CE 3.04Å; E121-K139 IonicContact OE2-NZ 3.06Å; K139-P181 CarbonylContact C-O 3.5Å; K139-P181 WeakPolarHBondContact CA-O 3.41Å; K139-P181 WeakPolarHBondContact CB-O 3.44Å; K139-V182 HydrophobicContact CB-CB 4.38Å; K139-V182 HydrophobicContact CB-CG1 4.47Å; K139-V182 HydrophobicContact CB-CG2 4.01Å
140G91.5Very high86.5Confident4 Ų443.7 Ų43.74%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-106.9152.8166.100000110S119 N180 P181 W183S119-G140 CarbonylContact O-C 3.53Å; S119-G140 WeakPolarHBondContact O-CA 3.37Å; G140-N180 CarbonylContact O-C 3.47Å; G140-N180 VanDerWaalsContact O-CA 3.27Å; G140-N180 WeakPolarHBondContact O-CA 3.25Å; G140-P181 PolarHBondContact N-O 2.94Å; G140-W183 VanDerWaalsContact N-CZ3 3.29Å
141K87.9Confident86.1Confident146 Ų14644 Ų4464%0.63525%0.247SC*.EExtended strand (participates in β ladder)trans-133.4133.2175.7-172.3-178.1177.9-177.40110.7G118 S119 L143 N180G118-K141 CarbonylContact C-O 3.56Å; G118-K141 WeakPolarHBondContact CA-O 3.41Å; S119-K141 PolarHBondContact N-O 3.49Å; S119-K141 PolarHBondContact O-N 3.03Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.19Å; K141-N180 WeakPolarHBondContact CA-OD1 3.23Å; K141-N180 WeakPolarHBondContact CG-OD1 3.48Å
142G84.4Confident85.8Confident24 Ų2440.6 Ų40.625%0.24723%0.229CC..SBendtrans58.939174.600000113.3G118 R179 N180G118-G142 WeakPolarHBondContact CA-O 3.29Å; G118-G142 PolarHBondContact N-O 3.2Å; G142-R179 PolarHBondContact N-O 3.43Å; G142-R179 VanDerWaalsContact N-O 3.12Å; G142-N180 PolarHBondContact N-OD1 3.37Å
143L85.9Confident85.7Confident0 Ų041 Ų410%023%0.231CC..PPolyproline II helixtrans-60.3144.2177.1-61.9-176.9000110.4K141 P154 R179 P181 W183 V206 L240K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.19Å; L143-P154 HydrophobicContact CD1-CB 3.49Å; L143-P154 VanDerWaalsContact CD1-CB 3.49Å; L143-P154 HydrophobicContact CD1-CG 3.8Å; L143-R179 PolarHBondContact N-O 3.29Å; L143-R179 PolarHBondContact O-NE 3.3Å; L143-R179 PolarHBondContact O-NH2 3.43Å; L143-P181 HydrophobicContact CD1-CG 3.54Å; L143-P181 HydrophobicContact CG-CG 4.46Å; L143-W183 HydrophobicContact CD1-CH2 4.37Å; L143-V206 HydrophobicContact CD1-CG1 4.07Å; L143-V206 HydrophobicContact CD2-CG1 4.32Å; L143-L240 HydrophobicContact CD2-CD1 3.57Å
144K79.7Confident85.6Confident46 Ų4641 Ų4120%0.223%0.231CC..PPolyproline II helixtrans-60.9133.1177.2-179.6174.6167.464.80109.4A114 L117 M146 I218A114-K144 PolarHBondContact O-NZ 2.74Å; L117-K144 HydrophobicContact CD2-CB 4.37Å; L117-K144 HydrophobicContact CD2-CD 3.85Å; L117-K144 PolarHBondContact O-N 3.3Å; K144-M146 HydrophobicContact CB-CE 4.19Å; K144-M146 HydrophobicContact CD-CE 3.56Å; K144-M146 HydrophobicContact CD-SD 3.94Å; K144-M146 HydrophobicContact CG-CE 3.95Å; K144-M146 HydrophobicContact CG-SD 3.98Å; K144-M146 PolarHBondContact O-N 3.24Å; K144-I218 HydrophobicContact CB-CG2 4.3Å
145P80.1Confident85.6Confident33 Ų3338.6 Ų38.621%0.21422%0.219CC..PPolyproline II helixtrans-71.9129.3174.431.9-30.1000107.9G150 L151 R179P145-G150 VanDerWaalsContact CB-C 3.48Å; P145-G150 WeakPolarHBondContact CB-O 3.42Å; P145-L151 VanDerWaalsContact CA-O 3.29Å; P145-L151 WeakPolarHBondContact CA-O 3.49Å; P145-R179 VanDerWaalsContact CD-CZ 3.42Å
146M79Confident85.5Confident36 Ų3638.6 Ų38.618%0.17722%0.219CC..  trans-117.3-25.3179.2-65.3-53.6-164.300110.8K144 L151 D208 E216 I218K144-M146 HydrophobicContact CB-CE 4.19Å; K144-M146 HydrophobicContact CD-CE 3.56Å; K144-M146 HydrophobicContact CD-SD 3.94Å; K144-M146 HydrophobicContact CG-CE 3.95Å; K144-M146 HydrophobicContact CG-SD 3.98Å; K144-M146 PolarHBondContact O-N 3.24Å; M146-L151 PolarHBondContact N-O 3.34Å; M146-L151 VanDerWaalsContact N-O 3.08Å; M146-D208 HydrophobicContact CB-CB 4.21Å; M146-D208 VanDerWaalsContact CB-OD2 3.29Å; M146-D208 WeakPolarHBondContact CB-OD2 3.42Å; M146-E216 HydrophobicContact CB-CB 4.39Å; M146-E216 WeakPolarHBondContact CB-OE2 3.37Å; M146-E216 HydrophobicContact CE-CG 4.41Å; M146-E216 HydrophobicContact CG-CB 4.47Å; M146-E216 HydrophobicContact CG-CG 4.28Å; M146-E216 HydrophobicContact SD-CG 4.2Å; M146-I218 HydrophobicContact CE-CB 4.32Å; M146-I218 HydrophobicContact CE-CG1 4.09Å; M146-I218 HydrophobicContact CE-CG2 4.48Å; M146-I218 HydrophobicContact CG-CD1 4.45Å; M146-I218 HydrophobicContact CG-CG1 3.9Å
147D77.3Confident85.3Confident30 Ų3041.8 Ų41.816%0.1623%0.231CC..SBendtrans-74.4147.6171.2-75.1-46.5000112.9N149 G150 L151 A152D147-N149 WeakPolarHBondContact CB-OD1 3.33Å; D147-N149 PolarHBondContact O-N 3.38Å; D147-G150 PolarHBondContact O-N 3.39Å; D147-L151 WeakPolarHBondContact CB-O 3.49Å; D147-L151 PolarHBondContact N-O 3.13Å; D147-L151 VanDerWaalsContact N-O 3.12Å; D147-A152 WeakPolarHBondContact OD2-CA 3.48Å
148S71.5Confident85Confident138 Ų13841.8 Ų41.897%0.96523%0.231SC*.THydrogen-bonded Turntrans-58.9-15.7171.759.40000114.7G150S148-G150 VanDerWaalsContact C-N 3.29Å
149N74.8Confident84.7Confident85 Ų8540.8 Ų40.846%0.45523%0.225SC..THydrogen-bonded Turntrans-83.9-0.1175.766.217.9000113.2D147 L151 N177D147-N149 WeakPolarHBondContact CB-OD1 3.33Å; D147-N149 PolarHBondContact O-N 3.38Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 WeakPolarHBondContact OD1-CA 3.42Å; N149-L151 VanDerWaalsContact OD1-CB 3.24Å; N149-L151 WeakPolarHBondContact OD1-CB 3.02Å; N149-L151 PolarHBondContact OD1-N 3.49Å; N149-N177 PolarHBondContact ND2-OD1 2.93Å
150G70.4Confident84.2Confident35 Ų3536.4 Ų36.436%0.36121%0.206SC..SBendtrans78.613.6-177.300000114.7P145 D147 S148 R179P145-G150 VanDerWaalsContact CB-C 3.48Å; P145-G150 WeakPolarHBondContact CB-O 3.42Å; D147-G150 PolarHBondContact O-N 3.39Å; S148-G150 VanDerWaalsContact C-N 3.29Å; G150-R179 WeakPolarHBondContact O-CD 3.29Å; G150-R179 PolarHBondContact O-NH1 2.99Å
151L80.8Confident83.6Confident62 Ų6238.4 Ų38.433%0.32522%0.216SC..  trans-120.7-162.9177.1-56.7171.7000110.1P145 M146 D147 N149 N177 R179P145-L151 VanDerWaalsContact CA-O 3.29Å; P145-L151 WeakPolarHBondContact CA-O 3.49Å; M146-L151 PolarHBondContact N-O 3.34Å; M146-L151 VanDerWaalsContact N-O 3.08Å; D147-L151 WeakPolarHBondContact CB-O 3.49Å; D147-L151 PolarHBondContact N-O 3.13Å; D147-L151 VanDerWaalsContact N-O 3.12Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 WeakPolarHBondContact OD1-CA 3.42Å; N149-L151 VanDerWaalsContact OD1-CB 3.24Å; N149-L151 WeakPolarHBondContact OD1-CB 3.02Å; N149-L151 PolarHBondContact OD1-N 3.49Å; L151-N177 HydrophobicContact CD1-CB 3.77Å; L151-R179 HydrophobicContact CD2-CG 4.23Å
152A83.9Confident82.5Confident0 Ų035.8 Ų35.80%021%0.214CC..  trans-153.5159.2174.300000108.9D147 P154 N177 T178 D208 I218D147-A152 WeakPolarHBondContact OD2-CA 3.48Å; A152-P154 WeakPolarHBondContact O-CD 3.45Å; A152-N177 CarbonylContact O-C 3.47Å; A152-N177 WeakPolarHBondContact O-CA 3.15Å; A152-N177 PolarHBondContact O-N 3.27Å; A152-N177 VanDerWaalsContact O-N 3.11Å; A152-T178 PolarHBondContact O-N 2.67Å; A152-D208 WeakPolarHBondContact CA-OD2 3.25Å; A152-D208 WeakPolarHBondContact CB-OD2 3.49Å; A152-I218 HydrophobicContact CB-CD1 4.31Å
153D88.6Confident81.2Confident11 Ų1136.3 Ų36.36%0.05922%0.219CC..  trans-105.365.8168.7-72.2-10.1000110.8T174 L175 R176 N177 D208 E209D153-T174 HydrophobicContact CB-CG2 4.06Å; D153-T174 WeakPolarHBondContact O-CG2 3.3Å; D153-L175 CarbonylContact C-O 3.54Å; D153-L175 VanDerWaalsContact C-O 3.28Å; D153-L175 VanDerWaalsContact CA-O 3.24Å; D153-L175 WeakPolarHBondContact CA-O 3.19Å; D153-R176 WeakPolarHBondContact OD1-CA 3.33Å; D153-R176 VanDerWaalsContact OD1-CB 3.28Å; D153-R176 WeakPolarHBondContact OD1-CB 3.26Å; D153-N177 PolarHBondContact OD1-N 3.11Å; D153-D208 VanDerWaalsContact C-OD1 3.25Å; D153-D208 WeakPolarHBondContact CA-OD1 3.05Å; D153-D208 VanDerWaalsContact CB-OD1 3.26Å; D153-D208 WeakPolarHBondContact CB-OD1 3.26Å; D153-D208 PolarHBondContact N-OD1 3.26Å; D153-E209 PolarHBondContact O-N 2.82Å; D153-E209 VanDerWaalsContact O-N 3.11Å
154P91.3Very high79.2Confident0 Ų041.7 Ų41.70%026%0.264CS..EExtended strand (participates in β ladder)trans-73.3139.9-167.132.2-42.3000114.7L143 A152 L175 T178 P181 W183 V206 C207 I218L143-P154 HydrophobicContact CD1-CB 3.49Å; L143-P154 VanDerWaalsContact CD1-CB 3.49Å; L143-P154 HydrophobicContact CD1-CG 3.8Å; A152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-L175 WeakPolarHBondContact CD-O 3.19Å; P154-L175 PolarHBondContact O-N 2.5Å; P154-L175 VanDerWaalsContact O-N 3.14Å; P154-T178 VanDerWaalsContact CD-O 3.28Å; P154-T178 WeakPolarHBondContact CD-O 3.02Å; P154-T178 HydrophobicContact CG-CG2 4.06Å; P154-T178 WeakPolarHBondContact CG-O 3.39Å; P154-P181 HydrophobicContact CB-CG 4.2Å; P154-P181 HydrophobicContact CG-CB 3.74Å; P154-P181 HydrophobicContact CG-CG 3.58Å; P154-W183 HydrophobicContact CB-CH2 4.46Å; P154-W183 HydrophobicContact CB-CZ2 3.92Å; P154-W183 HydrophobicContact CG-CZ2 4.24Å; P154-W183 PolarHBondContact O-NE1 3.39Å; P154-V206 HydrophobicContact CB-CG1 4.38Å; P154-C207 CarbonylContact C-O 3.54Å; P154-C207 WeakPolarHBondContact CA-O 3.37Å; P154-I218 HydrophobicContact CB-CD1 4.41Å
155Y93.6Very high78Confident15 Ų1542.5 Ų42.56%0.05928%0.275CS..EExtended strand (participates in β ladder)trans-135.1156.3164.871.1-84.5000111.4K157 V206 C207 E209 N215Y155-K157 HydrophobicContact CE2-CB 4.32Å; Y155-V206 WeakPolarHBondContact O-CA 3.41Å; Y155-C207 HydrophobicContact CD1-CB 4.21Å; Y155-C207 WeakPolarHBondContact CD1-O 3.21Å; Y155-C207 HydrophobicContact CE1-CB 3.54Å; Y155-C207 HydrophobicContact CE2-CB 3.98Å; Y155-C207 VanDerWaalsContact CZ-CB 3.4Å; Y155-C207 PolarHBondContact N-O 3.35Å; Y155-C207 PolarHBondContact O-N 3.1Å; Y155-C207 WeakPolarHBondContact OH-CB 3.11Å; Y155-E209 HydrophobicContact CD1-CB 3.78Å; Y155-E209 HydrophobicContact CE1-CB 3.74Å; Y155-E209 HydrophobicContact CE1-CG 4.43Å; Y155-N215 PolarHBondContact OH-ND2 2.98Å
156V93.8Very high76.6Confident0 Ų050.3 Ų50.30%031%0.306CS..EExtended strand (participates in β ladder)trans-109.7127.3179-166.60000110.2L120 I137 L158 R171 T172 W183 L204 S205 V206L120-V156 HydrophobicContact CD1-CG2 4Å; L120-V156 HydrophobicContact CD2-CG1 4.12Å; I137-V156 HydrophobicContact CG2-CB 4.26Å; I137-V156 HydrophobicContact CG2-CG2 3.84Å; V156-L158 HydrophobicContact CB-CD1 4.48Å; V156-L158 HydrophobicContact CG1-CD1 3.94Å; V156-R171 CarbonylContact O-C 3.58Å; V156-R171 VanDerWaalsContact O-CA 3.27Å; V156-R171 WeakPolarHBondContact O-CA 3.25Å; V156-T172 HydrophobicContact CB-CG2 4Å; V156-T172 HydrophobicContact CG2-CG2 4.5Å; V156-T172 PolarHBondContact N-OG1 2.9Å; V156-T172 PolarHBondContact O-N 2.96Å; V156-W183 HydrophobicContact CG2-CD2 4.16Å; V156-W183 HydrophobicContact CG2-CE3 4.09Å; V156-W183 HydrophobicContact CG2-CH2 3.49Å; V156-W183 VanDerWaalsContact CG2-CH2 3.49Å; V156-W183 HydrophobicContact CG2-CZ2 3.6Å; V156-W183 HydrophobicContact CG2-CZ3 3.75Å; V156-L204 HydrophobicContact CG1-CB 4.19Å; V156-L204 HydrophobicContact CG1-CD2 4.5Å; V156-S205 CarbonylContact C-O 3.53Å; V156-S205 WeakPolarHBondContact CA-O 3.24Å; V156-V206 HydrophobicContact CG1-CG2 4.42Å; V156-V206 HydrophobicContact CG2-CG2 4.18Å
157K92.3Very high75.6Confident79 Ų7952.9 Ų52.934%0.34333%0.328SS..EExtended strand (participates in β ladder)trans-106.9122175.9-173177.1-173.4170.50110.2Y155 L170 L204 S205Y155-K157 HydrophobicContact CE2-CB 4.32Å; K157-L170 CarbonylContact C-O 3.51Å; K157-L170 WeakPolarHBondContact CA-O 3.27Å; K157-L204 WeakPolarHBondContact O-CA 3.49Å; K157-S205 PolarHBondContact N-O 2.74Å; K157-S205 PolarHBondContact O-N 3.23Å
158L92.3Very high75.4Confident0 Ų052.5 Ų52.50%033%0.326CS..EExtended strand (participates in β ladder)trans-96.4140.3177-75.263.1000109C135 I137 V156 K169 L170 L187 Y189 L202 R203 L204C135-L158 HydrophobicContact CB-CD2 3.43Å; C135-L158 VanDerWaalsContact CB-CD2 3.43Å; I137-L158 HydrophobicContact CD1-CD1 4.11Å; I137-L158 HydrophobicContact CD1-CD2 4.4Å; I137-L158 HydrophobicContact CG1-CD1 4.25Å; V156-L158 HydrophobicContact CB-CD1 4.48Å; V156-L158 HydrophobicContact CG1-CD1 3.94Å; L158-K169 WeakPolarHBondContact O-CA 3.24Å; L158-L170 HydrophobicContact CB-CB 4.29Å; L158-L170 PolarHBondContact N-O 2.8Å; L158-L170 PolarHBondContact O-N 2.91Å; L158-L170 VanDerWaalsContact O-N 3.16Å; L158-L187 HydrophobicContact CD1-CD1 3.78Å; L158-L187 HydrophobicContact CD2-CB 4.2Å; L158-L187 HydrophobicContact CD2-CD1 4.02Å; L158-L187 HydrophobicContact CG-CD1 4.47Å; L158-Y189 HydrophobicContact CB-CE2 4.27Å; L158-Y189 WeakPolarHBondContact CB-OH 3.42Å; L158-Y189 HydrophobicContact CD2-CE2 4.35Å; L158-Y189 PolarHBondContact O-OH 3.22Å; L158-L202 HydrophobicContact CB-CD1 4.14Å; L158-L202 HydrophobicContact CD2-CD1 4.44Å; L158-L202 HydrophobicContact CG-CD1 4.37Å; L158-R203 CarbonylContact C-O 3.57Å; L158-R203 WeakPolarHBondContact CA-O 3.28Å; L158-L204 HydrophobicContact CD1-CD2 4.47Å; L158-L204 HydrophobicContact CG-CD2 4.38Å; L158-L204 HydrophobicContact CG-CG 4.31Å
159H87.4Confident76Confident19 Ų1950.8 Ų50.89%0.08830%0.301CS..EExtended strand (participates in β ladder)trans-143.6125.1175.9-166-153.3000111.1L161 N168 R203H159-L161 WeakPolarHBondContact ND1-CD2 3.29Å; H159-N168 WeakPolarHBondContact CA-O 3.44Å; H159-N168 PolarHBondContact CD2-O 2.89Å; H159-R203 HydrophobicContact CB-CB 4.46Å; H159-R203 PolarHBondContact N-O 2.91Å; H159-R203 PolarHBondContact ND1-NH2 2.82Å; H159-R203 PolarHBondContact O-N 2.68Å
160L82.6Confident76.7Confident1 Ų149 Ų491%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-85.9122.6172.3-72.1174.8000111.3L133 N168 Y189 L192 K200 L202 L225L133-L160 HydrophobicContact CD2-CD2 4.46Å; L160-N168 HydrophobicContact CB-CB 4.26Å; L160-N168 PolarHBondContact N-O 3.12Å; L160-Y189 HydrophobicContact CD1-CD1 3.55Å; L160-Y189 HydrophobicContact CD1-CD2 3.83Å; L160-Y189 HydrophobicContact CD1-CE1 3.83Å; L160-Y189 HydrophobicContact CD1-CE2 4.08Å; L160-Y189 HydrophobicContact CD1-CG 3.55Å; L160-Y189 HydrophobicContact CG-CD1 4.32Å; L160-Y189 HydrophobicContact CG-CD2 4.14Å; L160-Y189 HydrophobicContact CG-CE1 4.14Å; L160-Y189 HydrophobicContact CG-CE2 3.94Å; L160-Y189 HydrophobicContact CG-CG 4.32Å; L160-L192 HydrophobicContact CD1-CD1 4.29Å; L160-L192 HydrophobicContact CD1-CD2 3.76Å; L160-K200 HydrophobicContact CB-CD 4.32Å; L160-L202 HydrophobicContact CD2-CB 4.17Å; L160-L202 HydrophobicContact CD2-CD1 3.88Å; L160-L202 HydrophobicContact CG-CD1 4.36Å; L160-L225 HydrophobicContact CD2-CD1 3.91Å
161L78.6Confident77.8Confident46 Ų4653 Ų5324%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-116143.6178.6-60.7175.7000110.2H159 K200 T201 R203H159-L161 WeakPolarHBondContact ND1-CD2 3.29Å; L161-K200 CarbonylContact O-C 3.55Å; L161-K200 WeakPolarHBondContact O-CA 3.35Å; L161-K200 VanDerWaalsContact O-CB 3.28Å; L161-K200 WeakPolarHBondContact O-CB 3.42Å; L161-T201 PolarHBondContact N-O 2.92Å; L161-T201 PolarHBondContact O-N 2.84Å; L161-R203 HydrophobicContact CD1-CB 4.2Å
162P63.2Low78.5Confident91 Ų9150.2 Ų50.259%0.59128%0.281SS*.SBendcis-75.6151.7-9.331.6-35.3000112.4
163G58.4Low78.9Confident35 Ų3557.4 Ų57.436%0.36131%0.312SS..  trans146.1120.9174.100000112.7S165 N168G163-S165 PolarHBondContact O-N 3.32Å; G163-N168 PolarHBondContact O-ND2 2.9Å
164A43.2Very low79.1Confident113 Ų11358.4 Ų58.493%0.93432%0.318SS*.  trans-95.431.7-174.800000113.8
165S55.5Low79.1Confident64 Ų6460.8 Ų60.845%0.44833%0.331SS..  trans-90.3144.2179.5-175.90000112.1G163 S167 N168G163-S165 PolarHBondContact O-N 3.32Å; S165-S167 PolarHBondContact O-N 2.92Å; S165-S167 PolarHBondContact OG-N 3.38Å; S165-N168 WeakPolarHBondContact O-CB 3.33Å; S165-N168 PolarHBondContact O-N 3.19Å; S165-N168 VanDerWaalsContact O-N 3.09Å
166K49.4Very low78.8Confident196 Ų19667.5 Ų67.585%0.85236%0.356SS*.G310 helixtrans-60.6-28.2172.3-69.8-174.5179.5179.50112.1N168 K169K166-N168 PolarHBondContact O-N 3.23Å; K166-K169 PolarHBondContact O-N 2.98Å
167S59Low78.5Confident91 Ų9171.9 Ų71.964%0.63638%0.379SS*.G310 helixtrans-66.2-16.7175179.80000114S165 K169S165-S167 PolarHBondContact O-N 2.92Å; S165-S167 PolarHBondContact OG-N 3.38Å; S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å
168N73.5Confident78.3Confident22 Ų2269.8 Ų69.812%0.11837%0.373CS..G310 helixtrans-85.84.5-178.9-73.7-11000113.2H159 L160 G163 S165 K166 Y189H159-N168 WeakPolarHBondContact CA-O 3.44Å; H159-N168 PolarHBondContact CD2-O 2.89Å; L160-N168 HydrophobicContact CB-CB 4.26Å; L160-N168 PolarHBondContact N-O 3.12Å; G163-N168 PolarHBondContact O-ND2 2.9Å; S165-N168 WeakPolarHBondContact O-CB 3.33Å; S165-N168 PolarHBondContact O-N 3.19Å; S165-N168 VanDerWaalsContact O-N 3.09Å; K166-N168 PolarHBondContact O-N 3.23Å; N168-Y189 PolarHBondContact O-OH 3.49Å
169K82.8Confident77.9Confident102 Ų10270.8 Ų70.844%0.44338%0.377SS..EExtended strand (participates in β ladder)trans-115.8123.9-176.8-65.2176.7-175.1173.40109.7L158 K166 S167L158-K169 WeakPolarHBondContact O-CA 3.24Å; K166-K169 PolarHBondContact O-N 2.98Å; S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å
170L90.9Very high78Confident46 Ų4674.1 Ų74.124%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-120.6154168.4-57.4174.2000108.2K157 L158 L187 Y189K157-L170 CarbonylContact C-O 3.51Å; K157-L170 WeakPolarHBondContact CA-O 3.27Å; L158-L170 HydrophobicContact CB-CB 4.29Å; L158-L170 PolarHBondContact N-O 2.8Å; L158-L170 PolarHBondContact O-N 2.91Å; L158-L170 VanDerWaalsContact O-N 3.16Å; L170-L187 HydrophobicContact CB-CB 4.22Å; L170-L187 HydrophobicContact CB-CD1 3.99Å; L170-L187 HydrophobicContact CB-CG 4.49Å; L170-L187 HydrophobicContact CD1-CB 3.87Å; L170-Y189 HydrophobicContact CD1-CD1 3.91Å; L170-Y189 HydrophobicContact CD1-CD2 3.88Å; L170-Y189 HydrophobicContact CD1-CE1 3.67Å; L170-Y189 HydrophobicContact CD1-CE2 3.65Å; L170-Y189 HydrophobicContact CD1-CG 4.01Å; L170-Y189 HydrophobicContact CG-CD1 4.32Å; L170-Y189 HydrophobicContact CG-CE1 3.66Å; L170-Y189 HydrophobicContact CG-CE2 4.22Å; L170-Y189 PolarHBondContact N-OH 3.23Å
171R93.3Very high78.4Confident121 Ų12174.1 Ų74.146%0.45740%0.396SS..EExtended strand (participates in β ladder)trans-137.1148.4173.467.7177.1-94.5179.4-0.9110V156 T174 E209V156-R171 CarbonylContact O-C 3.58Å; V156-R171 VanDerWaalsContact O-CA 3.27Å; V156-R171 WeakPolarHBondContact O-CA 3.25Å; R171-T174 PolarHBondContact NH2-OG1 2.86Å; R171-E209 IonicContact CZ-OE1 3.62Å; R171-E209 IonicContact NH1-OE1 3.14Å; R171-E209 PolarHBondContact NH1-OE1 3.11Å; R171-E209 IonicContact NH2-OE1 2.74Å; R171-E209 PolarHBondContact NH2-OE1 2.78Å; R171-E209 IonicContact NH2-OE2 3.17Å; R171-E209 PolarHBondContact NH2-OE2 2.76Å
172T94.8Very high79.2Confident3 Ų375.8 Ų75.82%0.01841%0.408CS..PPolyproline II helixtrans-77.2172.8167.964.80000110.7I137 V156 W183 E185 L187I137-T172 HydrophobicContact CB-CG2 3.96Å; I137-T172 HydrophobicContact CG1-CG2 3.87Å; I137-T172 HydrophobicContact CG2-CG2 4.05Å; V156-T172 HydrophobicContact CB-CG2 4Å; V156-T172 HydrophobicContact CG2-CG2 4.5Å; V156-T172 PolarHBondContact N-OG1 2.9Å; V156-T172 PolarHBondContact O-N 2.96Å; T172-W183 HydrophobicContact CG2-CG 4.48Å; T172-E185 WeakPolarHBondContact CA-OE2 3.32Å; T172-E185 WeakPolarHBondContact CB-OE2 3.42Å; T172-E185 HydrophobicContact CG2-CB 4.49Å; T172-L187 HydrophobicContact CG2-CD1 3.89Å
173K93.1Very high80.8Confident151 Ų15172.5 Ų72.566%0.65738%0.383SS*.PPolyproline II helixtrans-62.4152160.7-63177-174.41750110.8W183 E185K173-W183 VanDerWaalsContact O-CD1 3.22Å; K173-W183 PolarHBondContact O-NE1 3.3Å; K173-W183 VanDerWaalsContact O-NE1 3.15Å; K173-E185 PolarHBondContact N-OE2 2.86Å
174T92.1Very high82.5Confident32 Ų3276.1 Ų76.120%0.19639%0.394CS..PPolyproline II helixtrans-87.9127.3173.3-49.40000108.7D153 R171 E209D153-T174 HydrophobicContact CB-CG2 4.06Å; D153-T174 WeakPolarHBondContact O-CG2 3.3Å; R171-T174 PolarHBondContact NH2-OG1 2.86Å; T174-E209 WeakPolarHBondContact CB-OE2 3.44Å; T174-E209 HydrophobicContact CG2-CB 3.67Å; T174-E209 HydrophobicContact CG2-CG 4.48Å; T174-E209 VanDerWaalsContact CG2-OE2 3.3Å; T174-E209 WeakPolarHBondContact CG2-OE2 3.22Å; T174-E209 PolarHBondContact OG1-OE2 3.18Å
175L90.7Very high84.9Confident50 Ų5072.9 Ų72.926%0.26236%0.36SS..  trans-105126.2175-63-177.6000108D153 P154 T178 P181 V182 W183D153-L175 CarbonylContact C-O 3.54Å; D153-L175 VanDerWaalsContact C-O 3.28Å; D153-L175 VanDerWaalsContact CA-O 3.24Å; D153-L175 WeakPolarHBondContact CA-O 3.19Å; P154-L175 WeakPolarHBondContact CD-O 3.19Å; P154-L175 PolarHBondContact O-N 2.5Å; P154-L175 VanDerWaalsContact O-N 3.14Å; L175-T178 HydrophobicContact CB-CG2 3.91Å; L175-P181 HydrophobicContact CB-CB 4.34Å; L175-P181 HydrophobicContact CD1-CB 3.73Å; L175-V182 WeakPolarHBondContact CD1-O 3.27Å; L175-W183 HydrophobicContact CD1-CG 4.12Å
176R89Confident86.9Confident156 Ų15673.3 Ų73.359%0.58936%0.36SS*.  trans-87.5150.1-172.6-64.1-171.5177.3154.11.5113.2D153 T178D153-R176 WeakPolarHBondContact OD1-CA 3.33Å; D153-R176 VanDerWaalsContact OD1-CB 3.28Å; D153-R176 WeakPolarHBondContact OD1-CB 3.26Å; R176-T178 PolarHBondContact O-N 3.46Å
177N86.7Confident89Confident91 Ų9164.9 Ų64.949%0.48732%0.324SS..SBendtrans51.349169.8-64.6-33.2000112.7N149 L151 A152 D153N149-N177 PolarHBondContact ND2-OD1 2.93Å; L151-N177 HydrophobicContact CD1-CB 3.77Å; A152-N177 CarbonylContact O-C 3.47Å; A152-N177 WeakPolarHBondContact O-CA 3.15Å; A152-N177 PolarHBondContact O-N 3.27Å; A152-N177 VanDerWaalsContact O-N 3.11Å; D153-N177 PolarHBondContact OD1-N 3.11Å
178T87.4Confident90.7Very high35 Ų3562.5 Ų62.522%0.21531%0.306CS..  trans-147.3139.3-179.2-174.60000113.6A152 P154 L175 R176 N180 P181A152-T178 PolarHBondContact O-N 2.67Å; P154-T178 VanDerWaalsContact CD-O 3.28Å; P154-T178 WeakPolarHBondContact CD-O 3.02Å; P154-T178 HydrophobicContact CG-CG2 4.06Å; P154-T178 WeakPolarHBondContact CG-O 3.39Å; L175-T178 HydrophobicContact CB-CG2 3.91Å; R176-T178 PolarHBondContact O-N 3.46Å; T178-N180 PolarHBondContact OG1-N 2.88Å; T178-P181 HydrophobicContact CG2-CB 3.93Å
179R84.3Confident91.5Very high22 Ų2262 Ų628%0.08330%0.303CS..SBendtrans-102.9-4.9173.7-60.9179.262.2-179.3-15.9112.9E113 G142 L143 P145 G150 L151E113-R179 VanDerWaalsContact CD-CZ 3.48Å; E113-R179 IonicContact OE1-CZ 2.92Å; E113-R179 IonicContact OE1-NE 2.74Å; E113-R179 IonicContact OE1-NH1 3.36Å; E113-R179 PolarHBondContact OE1-NH1 2.88Å; E113-R179 VanDerWaalsContact OE1-NH1 3.09Å; E113-R179 IonicContact OE1-NH2 2.7Å; E113-R179 PolarHBondContact OE1-NH2 3.04Å; E113-R179 IonicContact OE2-CZ 3.57Å; E113-R179 IonicContact OE2-NH1 3.56Å; E113-R179 PolarHBondContact OE2-NH1 3.13Å; E113-R179 IonicContact OE2-NH2 2.71Å; E113-R179 PolarHBondContact OE2-NH2 3.26Å; G142-R179 PolarHBondContact N-O 3.43Å; G142-R179 VanDerWaalsContact N-O 3.12Å; L143-R179 PolarHBondContact N-O 3.29Å; L143-R179 PolarHBondContact O-NE 3.3Å; L143-R179 PolarHBondContact O-NH2 3.43Å; P145-R179 VanDerWaalsContact CD-CZ 3.42Å; G150-R179 WeakPolarHBondContact O-CD 3.29Å; G150-R179 PolarHBondContact O-NH1 2.99Å; L151-R179 HydrophobicContact CD2-CG 4.23Å
180N88.6Confident91.9Very high89 Ų8964.1 Ų64.148%0.47631%0.313SS..SBendtrans-128.759.3177.4-60.1-72.6000109.6G140 K141 G142 T178G140-N180 CarbonylContact O-C 3.47Å; G140-N180 VanDerWaalsContact O-CA 3.27Å; G140-N180 WeakPolarHBondContact O-CA 3.25Å; K141-N180 WeakPolarHBondContact CA-OD1 3.23Å; K141-N180 WeakPolarHBondContact CG-OD1 3.48Å; G142-N180 PolarHBondContact N-OD1 3.37Å; T178-N180 PolarHBondContact OG1-N 2.88Å
181P92.2Very high91.7Very high1 Ų164.6 Ų64.61%0.00633%0.329CS..  trans-62.1141.4-177.225.6-35.4000111.7K139 G140 L143 P154 L175 T178 W183K139-P181 CarbonylContact C-O 3.5Å; K139-P181 WeakPolarHBondContact CA-O 3.41Å; K139-P181 WeakPolarHBondContact CB-O 3.44Å; G140-P181 PolarHBondContact N-O 2.94Å; L143-P181 HydrophobicContact CD1-CG 3.54Å; L143-P181 HydrophobicContact CG-CG 4.46Å; P154-P181 HydrophobicContact CB-CG 4.2Å; P154-P181 HydrophobicContact CG-CB 3.74Å; P154-P181 HydrophobicContact CG-CG 3.58Å; L175-P181 HydrophobicContact CB-CB 4.34Å; L175-P181 HydrophobicContact CD1-CB 3.73Å; T178-P181 HydrophobicContact CG2-CB 3.93Å; P181-W183 HydrophobicContact CB-CD2 4.11Å; P181-W183 HydrophobicContact CB-CE3 4.22Å; P181-W183 HydrophobicContact CB-CH2 3.78Å; P181-W183 HydrophobicContact CB-CZ2 3.6Å; P181-W183 HydrophobicContact CB-CZ3 4.07Å; P181-W183 HydrophobicContact CG-CE3 4.23Å; P181-W183 HydrophobicContact CG-CH2 3.16Å; P181-W183 HydrophobicContact CG-CZ2 3.44Å; P181-W183 VanDerWaalsContact CG-CZ2 3.44Å; P181-W183 HydrophobicContact CG-CZ3 3.59Å
182V95.8Very high91.4Very high81 Ų8159.1 Ų59.149%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-120.596171.6-1780000107.9L138 K139 L175 N184L138-V182 CarbonylContact O-C 3.43Å; K139-V182 HydrophobicContact CB-CB 4.38Å; K139-V182 HydrophobicContact CB-CG1 4.47Å; K139-V182 HydrophobicContact CB-CG2 4.01Å; L175-V182 WeakPolarHBondContact CD1-O 3.27Å; V182-N184 VanDerWaalsContact CG1-ND2 3.32Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.41Å
183W95.4Very high90.9Very high22 Ų2262.2 Ų62.28%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-78.6-43.3-178-64.9-80000112.2L120 I137 L138 G140 L143 P154 V156 T172 K173 L175 P181 E185L120-W183 HydrophobicContact CD1-CE3 4.37Å; L120-W183 HydrophobicContact CD1-CH2 4.19Å; L120-W183 HydrophobicContact CD1-CZ3 3.56Å; I137-W183 HydrophobicContact CG2-CB 4.35Å; I137-W183 HydrophobicContact CG2-CD2 4.19Å; I137-W183 HydrophobicContact CG2-CE3 3.78Å; I137-W183 HydrophobicContact CG2-CG 4.46Å; I137-W183 HydrophobicContact CG2-CZ3 4.4Å; L138-W183 PolarHBondContact O-N 3.31Å; G140-W183 VanDerWaalsContact N-CZ3 3.29Å; L143-W183 HydrophobicContact CD1-CH2 4.37Å; P154-W183 HydrophobicContact CB-CH2 4.46Å; P154-W183 HydrophobicContact CB-CZ2 3.92Å; P154-W183 HydrophobicContact CG-CZ2 4.24Å; P154-W183 PolarHBondContact O-NE1 3.39Å; V156-W183 HydrophobicContact CG2-CD2 4.16Å; V156-W183 HydrophobicContact CG2-CE3 4.09Å; V156-W183 HydrophobicContact CG2-CH2 3.49Å; V156-W183 VanDerWaalsContact CG2-CH2 3.49Å; V156-W183 HydrophobicContact CG2-CZ2 3.6Å; V156-W183 HydrophobicContact CG2-CZ3 3.75Å; T172-W183 HydrophobicContact CG2-CG 4.48Å; K173-W183 VanDerWaalsContact O-CD1 3.22Å; K173-W183 PolarHBondContact O-NE1 3.3Å; K173-W183 VanDerWaalsContact O-NE1 3.15Å; L175-W183 HydrophobicContact CD1-CG 4.12Å; P181-W183 HydrophobicContact CB-CD2 4.11Å; P181-W183 HydrophobicContact CB-CE3 4.22Å; P181-W183 HydrophobicContact CB-CH2 3.78Å; P181-W183 HydrophobicContact CB-CZ2 3.6Å; P181-W183 HydrophobicContact CB-CZ3 4.07Å; P181-W183 HydrophobicContact CG-CE3 4.23Å; P181-W183 HydrophobicContact CG-CH2 3.16Å; P181-W183 HydrophobicContact CG-CZ2 3.44Å; P181-W183 VanDerWaalsContact CG-CZ2 3.44Å; P181-W183 HydrophobicContact CG-CZ3 3.59Å; W183-E185 HydrophobicContact CB-CB 4.31Å; W183-E185 PolarHBondContact O-N 3.44Å; W183-E185 VanDerWaalsContact O-N 3.12Å
184N94.1Very high90.5Very high110 Ų11058.7 Ų58.759%0.58832%0.317SS*.EExtended strand (participates in β ladder)trans4342-172.4-70.7-26.4000113.2I137 L138 V182I137-N184 CarbonylContact O-C 3.5Å; I137-N184 VanDerWaalsContact O-CA 3.3Å; I137-N184 WeakPolarHBondContact O-CA 3.28Å; I137-N184 PolarHBondContact O-N 3.23Å; I137-N184 VanDerWaalsContact O-N 3.08Å; L138-N184 PolarHBondContact O-N 3.43Å; L138-N184 PolarHBondContact O-OD1 3.33Å; V182-N184 VanDerWaalsContact CG1-ND2 3.32Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.41Å
185E95.4Very high90Very high46 Ų4662.4 Ų62.422%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-110.4134.7-173.3-173.3170.3-177.900110S136 I137 T172 K173 W183 L187S136-E185 CarbonylContact C-O 3.53Å; I137-E185 PolarHBondContact N-O 3.47Å; I137-E185 PolarHBondContact O-N 3.01Å; T172-E185 WeakPolarHBondContact CA-OE2 3.32Å; T172-E185 WeakPolarHBondContact CB-OE2 3.42Å; T172-E185 HydrophobicContact CG2-CB 4.49Å; K173-E185 PolarHBondContact N-OE2 2.86Å; W183-E185 HydrophobicContact CB-CB 4.31Å; W183-E185 PolarHBondContact O-N 3.44Å; W183-E185 VanDerWaalsContact O-N 3.12Å; E185-L187 HydrophobicContact CG-CD2 4.25Å; E185-L187 HydrophobicContact CG-CG 4.48Å
186T95.8Very high89.8Confident72 Ų7261.9 Ų61.944%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-108.5120.1175.6-61.50000110.2Q134 C135 S136Q134-T186 HydrophobicContact CB-CG2 4.19Å; C135-T186 WeakPolarHBondContact O-CA 3.2Å; S136-T186 PolarHBondContact OG-OG1 3.24Å
187L95Very high89.6Confident19 Ų1955.2 Ų55.210%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-108.6130.1178.6-61.1173.9000108.9C135 L158 L170 T172 E185C135-L187 WeakPolarHBondContact CA-O 3.1Å; C135-L187 VanDerWaalsContact CB-O 3.31Å; C135-L187 WeakPolarHBondContact CB-O 3.44Å; C135-L187 PolarHBondContact N-O 2.96Å; C135-L187 PolarHBondContact O-N 3.16Å; L158-L187 HydrophobicContact CD1-CD1 3.78Å; L158-L187 HydrophobicContact CD2-CB 4.2Å; L158-L187 HydrophobicContact CD2-CD1 4.02Å; L158-L187 HydrophobicContact CG-CD1 4.47Å; L170-L187 HydrophobicContact CB-CB 4.22Å; L170-L187 HydrophobicContact CB-CD1 3.99Å; L170-L187 HydrophobicContact CB-CG 4.49Å; L170-L187 HydrophobicContact CD1-CB 3.87Å; T172-L187 HydrophobicContact CG2-CD1 3.89Å; E185-L187 HydrophobicContact CG-CD2 4.25Å; E185-L187 HydrophobicContact CG-CG 4.48Å
188T94.1Very high89.4Confident42 Ų4257.4 Ų57.426%0.25831%0.312SS..EExtended strand (participates in β ladder)trans-117.6128.1-173-53.90000111.3L133 Q134 H190L133-T188 WeakPolarHBondContact O-CA 2.8Å; Q134-T188 HydrophobicContact CG-CG2 4.22Å; T188-H190 VanDerWaalsContact CG2-CE1 3.49Å; T188-H190 WeakPolarHBondContact CG2-CE1 3.47Å
189Y91.2Very high89Confident12 Ų1263.8 Ų63.85%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-92.3131.9163.7-71-75.8000109.3S132 L133 L158 L160 N168 L170 L202S132-Y189 CarbonylContact C-O 3.55Å; S132-Y189 WeakPolarHBondContact CA-O 3.32Å; S132-Y189 WeakPolarHBondContact CB-O 3.24Å; L133-Y189 HydrophobicContact CD2-CD2 4.45Å; L133-Y189 PolarHBondContact N-O 3.07Å; L133-Y189 PolarHBondContact O-N 3.05Å; L158-Y189 HydrophobicContact CB-CE2 4.27Å; L158-Y189 WeakPolarHBondContact CB-OH 3.42Å; L158-Y189 HydrophobicContact CD2-CE2 4.35Å; L158-Y189 PolarHBondContact O-OH 3.22Å; L160-Y189 HydrophobicContact CD1-CD1 3.55Å; L160-Y189 HydrophobicContact CD1-CD2 3.83Å; L160-Y189 HydrophobicContact CD1-CE1 3.83Å; L160-Y189 HydrophobicContact CD1-CE2 4.08Å; L160-Y189 HydrophobicContact CD1-CG 3.55Å; L160-Y189 HydrophobicContact CG-CD1 4.32Å; L160-Y189 HydrophobicContact CG-CD2 4.14Å; L160-Y189 HydrophobicContact CG-CE1 4.14Å; L160-Y189 HydrophobicContact CG-CE2 3.94Å; L160-Y189 HydrophobicContact CG-CG 4.32Å; N168-Y189 PolarHBondContact O-OH 3.49Å; L170-Y189 HydrophobicContact CD1-CD1 3.91Å; L170-Y189 HydrophobicContact CD1-CD2 3.88Å; L170-Y189 HydrophobicContact CD1-CE1 3.67Å; L170-Y189 HydrophobicContact CD1-CE2 3.65Å; L170-Y189 HydrophobicContact CD1-CG 4.01Å; L170-Y189 HydrophobicContact CG-CD1 4.32Å; L170-Y189 HydrophobicContact CG-CE1 3.66Å; L170-Y189 HydrophobicContact CG-CE2 4.22Å; L170-Y189 PolarHBondContact N-OH 3.23Å; Y189-L202 HydrophobicContact CE2-CD1 3.94Å
190H90.3Very high89Confident145 Ų14564.2 Ų64.267%0.67134%0.335SS*.EExtended strand (participates in β ladder)trans-109.2153.9177.5-62.6-81.4000111T188T188-H190 VanDerWaalsContact CG2-CE1 3.49Å; T188-H190 WeakPolarHBondContact CG2-CE1 3.47Å
191G86.7Confident88.9Confident56 Ų5661.9 Ų61.958%0.57732%0.324SS*.SBendtrans72.329.1175.800000113.7N131N131-G191 PolarHBondContact O-N 3.25Å
192L86.1Confident88.8Confident7 Ų761.9 Ų61.94%0.03732%0.324CS..  trans-80.4123.1173.1-72.7171.1000109.7Y126 N131 L133 L160 D196Y126-L192 HydrophobicContact CE2-CB 4.24Å; Y126-L192 PolarHBondContact OH-O 3.12Å; N131-L192 WeakPolarHBondContact CB-O 3.19Å; N131-L192 PolarHBondContact O-N 3.47Å; L133-L192 HydrophobicContact CB-CD1 3.31Å; L133-L192 HydrophobicContact CD2-CD1 4.08Å; L133-L192 HydrophobicContact CG-CD1 4.34Å; L160-L192 HydrophobicContact CD1-CD1 4.29Å; L160-L192 HydrophobicContact CD1-CD2 3.76Å; L192-D196 HydrophobicContact CD2-CB 4.1Å
193T85.9Confident88.4Confident68 Ų6860.9 Ų60.942%0.41731%0.311SS..  trans-83.8163.4176.965.30000111.4E195 D196 M197T193-E195 PolarHBondContact O-N 2.88Å; T193-D196 PolarHBondContact N-OD2 2.84Å; T193-D196 WeakPolarHBondContact O-CA 3.22Å; T193-D196 VanDerWaalsContact O-CB 3.31Å; T193-D196 WeakPolarHBondContact O-CB 3.44Å; T193-D196 PolarHBondContact O-N 2.87Å; T193-D196 PolarHBondContact OG1-N 2.6Å; T193-D196 PolarHBondContact OG1-OD2 3.37Å; T193-M197 PolarHBondContact O-N 2.87Å
194D83.5Confident88.2Confident77 Ų7759.9 Ų59.941%0.41231%0.307SS..Hα-helixtrans-62.2-30.4174.2-69.3-25000112.4Y126 Q128 M197 Q198Y126-D194 PolarHBondContact OH-OD1 3.35Å; Q128-D194 PolarHBondContact NE2-OD2 2.73Å; D194-M197 PolarHBondContact O-N 3.09Å; D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.75Å; D194-Q198 VanDerWaalsContact O-N 3.16Å
195E82.9Confident88Confident110 Ų11055 Ų5551%0.51428%0.282SS..Hα-helixtrans-65.3-40.6171.9-178.6168.6-158.800111.5T193 M197 Q198 R199T193-E195 PolarHBondContact O-N 2.88Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.83Å; E195-Q198 PolarHBondContact O-N 2.78Å; E195-Q198 VanDerWaalsContact O-N 3.11Å; E195-R199 HydrophobicContact CG-CG 4.44Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 IonicContact OE1-CZ 3.27Å; E195-R199 VanDerWaalsContact OE1-CZ 3.27Å; E195-R199 IonicContact OE1-NE 2.92Å; E195-R199 PolarHBondContact OE1-NE 2.81Å; E195-R199 IonicContact OE1-NH2 2.89Å; E195-R199 PolarHBondContact OE1-NH2 2.79Å
196D84.8Confident87.8Confident38 Ų3852.9 Ų52.920%0.20327%0.272CS..Hα-helixtrans-62.3-40.1174.6-64.1-49.4000111.2L192 T193 Q198 R199 K200L192-D196 HydrophobicContact CD2-CB 4.1Å; T193-D196 PolarHBondContact N-OD2 2.84Å; T193-D196 WeakPolarHBondContact O-CA 3.22Å; T193-D196 VanDerWaalsContact O-CB 3.31Å; T193-D196 WeakPolarHBondContact O-CB 3.44Å; T193-D196 PolarHBondContact O-N 2.87Å; T193-D196 PolarHBondContact OG1-N 2.6Å; T193-D196 PolarHBondContact OG1-OD2 3.37Å; D196-Q198 PolarHBondContact O-N 3.15Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-K200 HydrophobicContact CB-CD 4.1Å; D196-K200 HydrophobicContact CB-CG 4.17Å; D196-K200 WeakPolarHBondContact O-CA 3.46Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 VanDerWaalsContact O-CG 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 WeakPolarHBondContact OD1-CE 3.41Å; D196-K200 IonicContact OD1-NZ 3.63Å; D196-K200 PolarHBondContact OD1-NZ 3.24Å
197M85.6Confident87.5Confident17 Ų1750.1 Ų50.18%0.08426%0.255CS..Hα-helixtrans-61.6-32.1175-68.9-59.9-65.900112.2Y126 T193 D194 E195 L225 K226 L228Y126-M197 HydrophobicContact CD1-CE 3.88Å; Y126-M197 HydrophobicContact CD1-CG 4.18Å; Y126-M197 HydrophobicContact CD1-SD 4.31Å; Y126-M197 HydrophobicContact CD2-CE 3.99Å; Y126-M197 HydrophobicContact CD2-CG 4.11Å; Y126-M197 HydrophobicContact CD2-SD 3.61Å; Y126-M197 HydrophobicContact CE1-CE 4.48Å; Y126-M197 HydrophobicContact CE1-CG 3.84Å; Y126-M197 HydrophobicContact CE1-SD 4.49Å; Y126-M197 HydrophobicContact CE2-CG 3.76Å; Y126-M197 HydrophobicContact CE2-SD 3.83Å; Y126-M197 HydrophobicContact CG-CE 3.58Å; Y126-M197 HydrophobicContact CG-CG 4.29Å; Y126-M197 HydrophobicContact CG-SD 3.86Å; T193-M197 PolarHBondContact O-N 2.87Å; D194-M197 PolarHBondContact O-N 3.09Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.83Å; M197-L225 HydrophobicContact CE-CB 3.94Å; M197-L225 CarbonylContact O-C 3.18Å; M197-L225 WeakPolarHBondContact O-CB 3.4Å; M197-L225 HydrophobicContact SD-CB 4Å; M197-L225 HydrophobicContact SD-CD1 3.79Å; M197-L225 HydrophobicContact SD-CG 4.43Å; M197-K226 VanDerWaalsContact O-CA 3.27Å; M197-K226 WeakPolarHBondContact O-CA 3.43Å; M197-K226 PolarHBondContact O-N 3.47Å; M197-L228 HydrophobicContact CE-CB 4.21Å; M197-L228 HydrophobicContact CE-CD1 4.23Å
198Q81.9Confident87.1Confident136 Ų13649.2 Ų49.264%0.63625%0.251SS*.Hα-helixtrans-78.4-36.6178.2-69.1-179.115.200113.5D194 E195 D196D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.75Å; D194-Q198 VanDerWaalsContact O-N 3.16Å; E195-Q198 PolarHBondContact O-N 2.78Å; E195-Q198 VanDerWaalsContact O-N 3.11Å; D196-Q198 PolarHBondContact O-N 3.15Å
199R80.6Confident86.6Confident170 Ų17050 Ų5064%0.64225%0.251SS*.Hα-helixtrans-99.1-28.6-171.7-61.3-175.1-169.5-84.74113.9E195 D196E195-R199 HydrophobicContact CG-CG 4.44Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 IonicContact OE1-CZ 3.27Å; E195-R199 VanDerWaalsContact OE1-CZ 3.27Å; E195-R199 IonicContact OE1-NE 2.92Å; E195-R199 PolarHBondContact OE1-NE 2.81Å; E195-R199 IonicContact OE1-NH2 2.89Å; E195-R199 PolarHBondContact OE1-NH2 2.79Å; D196-R199 PolarHBondContact O-N 2.84Å
200K83.8Confident86Confident31 Ų3151.3 Ų51.314%0.13526%0.26CS..  trans-86.2155-171.6-59.5-160.8-163.1-162.80113.9L160 L161 D196 L225L160-K200 HydrophobicContact CB-CD 4.32Å; L161-K200 CarbonylContact O-C 3.55Å; L161-K200 WeakPolarHBondContact O-CA 3.35Å; L161-K200 VanDerWaalsContact O-CB 3.28Å; L161-K200 WeakPolarHBondContact O-CB 3.42Å; D196-K200 HydrophobicContact CB-CD 4.1Å; D196-K200 HydrophobicContact CB-CG 4.17Å; D196-K200 WeakPolarHBondContact O-CA 3.46Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 VanDerWaalsContact O-CG 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 WeakPolarHBondContact OD1-CE 3.41Å; D196-K200 IonicContact OD1-NZ 3.63Å; D196-K200 PolarHBondContact OD1-NZ 3.24Å; K200-L225 HydrophobicContact CB-CD1 3.91Å; K200-L225 HydrophobicContact CB-CG 4.42Å; K200-L225 WeakPolarHBondContact O-CB 3.22Å; K200-L225 PolarHBondContact O-N 3.47Å
201T85.9Confident84.5Confident40 Ų4050.5 Ų50.525%0.24525%0.254CS..EExtended strand (participates in β ladder)trans-125.5126.2174.4-62.80000108.2L161 R222 V223L161-T201 PolarHBondContact N-O 2.92Å; L161-T201 PolarHBondContact O-N 2.84Å; T201-R222 HydrophobicContact CG2-CB 3.87Å; T201-R222 HydrophobicContact CG2-CG 4.46Å; T201-V223 CarbonylContact C-O 3.6Å; T201-V223 WeakPolarHBondContact CA-O 3.49Å
202L90Very high82.7Confident0 Ų057.9 Ų57.90%027%0.271CS..EExtended strand (participates in β ladder)trans-81.7119.9169.8179.366.5000108.8L124 L133 L158 L160 Y189 L204 R222 V223 L225L124-L202 HydrophobicContact CD1-CD2 3.91Å; L124-L202 HydrophobicContact CD2-CD2 3.56Å; L124-L202 HydrophobicContact CG-CD2 4.42Å; L133-L202 HydrophobicContact CD2-CD2 4.45Å; L158-L202 HydrophobicContact CB-CD1 4.14Å; L158-L202 HydrophobicContact CD2-CD1 4.44Å; L158-L202 HydrophobicContact CG-CD1 4.37Å; L160-L202 HydrophobicContact CD2-CB 4.17Å; L160-L202 HydrophobicContact CD2-CD1 3.88Å; L160-L202 HydrophobicContact CG-CD1 4.36Å; Y189-L202 HydrophobicContact CE2-CD1 3.94Å; L202-L204 HydrophobicContact CD2-CD1 3.98Å; L202-L204 HydrophobicContact CD2-CG 4.47Å; L202-L204 HydrophobicContact CG-CD1 3.92Å; L202-L204 HydrophobicContact CG-CG 4.41Å; L202-R222 CarbonylContact O-C 3.5Å; L202-R222 WeakPolarHBondContact O-CA 3.39Å; L202-V223 PolarHBondContact N-O 2.95Å; L202-V223 PolarHBondContact O-N 2.88Å; L202-L225 HydrophobicContact CB-CD2 3.85Å
203R87.1Confident81.4Confident61 Ų6159.8 Ų59.823%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-99.9128.5170.7-176.6179.671.7172.22.9109.2L158 H159 L161 E220 T221 R222L158-R203 CarbonylContact C-O 3.57Å; L158-R203 WeakPolarHBondContact CA-O 3.28Å; H159-R203 HydrophobicContact CB-CB 4.46Å; H159-R203 PolarHBondContact N-O 2.91Å; H159-R203 PolarHBondContact ND1-NH2 2.82Å; H159-R203 PolarHBondContact O-N 2.68Å; L161-R203 HydrophobicContact CD1-CB 4.2Å; R203-E220 WeakPolarHBondContact CD-OE2 3.36Å; R203-T221 WeakPolarHBondContact CA-O 3.43Å; R203-R222 HydrophobicContact CB-CG 4.28Å; R203-R222 HydrophobicContact CG-CG 4.08Å
204L91.9Very high80Confident0 Ų065.3 Ų65.30%031%0.312CS..EExtended strand (participates in β ladder)trans-110.9121.2171.4-57.691.7000107.6L120 F122 I137 V156 K157 L158 L202 E220 T221 V223L120-L204 HydrophobicContact CD2-CB 4.12Å; L120-L204 HydrophobicContact CD2-CD2 4.06Å; F122-L204 HydrophobicContact CD1-CD2 4.13Å; F122-L204 HydrophobicContact CD2-CD2 3.95Å; F122-L204 HydrophobicContact CE1-CD1 4.42Å; F122-L204 HydrophobicContact CE1-CD2 4.27Å; F122-L204 HydrophobicContact CE2-CD1 3.96Å; F122-L204 HydrophobicContact CE2-CD2 4.13Å; F122-L204 HydrophobicContact CG-CD2 3.95Å; F122-L204 HydrophobicContact CZ-CD1 3.86Å; F122-L204 HydrophobicContact CZ-CD2 4.28Å; I137-L204 HydrophobicContact CD1-CD2 3.62Å; V156-L204 HydrophobicContact CG1-CB 4.19Å; V156-L204 HydrophobicContact CG1-CD2 4.5Å; K157-L204 WeakPolarHBondContact O-CA 3.49Å; L158-L204 HydrophobicContact CD1-CD2 4.47Å; L158-L204 HydrophobicContact CG-CD2 4.38Å; L158-L204 HydrophobicContact CG-CG 4.31Å; L202-L204 HydrophobicContact CD2-CD1 3.98Å; L202-L204 HydrophobicContact CD2-CG 4.47Å; L202-L204 HydrophobicContact CG-CD1 3.92Å; L202-L204 HydrophobicContact CG-CG 4.41Å; L204-E220 CarbonylContact O-C 3.48Å; L204-E220 VanDerWaalsContact O-CA 3.22Å; L204-E220 WeakPolarHBondContact O-CA 3.3Å; L204-E220 WeakPolarHBondContact O-CB 3.4Å; L204-T221 HydrophobicContact CB-CG2 3.85Å; L204-T221 HydrophobicContact CD1-CG2 4.05Å; L204-T221 HydrophobicContact CG-CG2 4.48Å; L204-T221 PolarHBondContact N-O 2.8Å; L204-T221 PolarHBondContact O-N 2.85Å; L204-V223 HydrophobicContact CD1-CG2 4.45Å
205S90.1Very high79.2Confident9 Ų965.3 Ų65.36%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-116.9121.1179.8-58.50000108.8V156 K157 G219V156-S205 CarbonylContact C-O 3.53Å; V156-S205 WeakPolarHBondContact CA-O 3.24Å; K157-S205 PolarHBondContact N-O 2.74Å; K157-S205 PolarHBondContact O-N 3.23Å; S205-G219 CarbonylContact C-O 3.59Å
206V91.4Very high78.8Confident0 Ų064.4 Ų64.40%031%0.308CS..EExtended strand (participates in β ladder)trans-91.1125.7173.4-172.60000107.9L120 L143 P154 Y155 V156 I218 G219 L240L120-V206 HydrophobicContact CD1-CG2 4.37Å; L120-V206 HydrophobicContact CD2-CG2 4.12Å; L143-V206 HydrophobicContact CD1-CG1 4.07Å; L143-V206 HydrophobicContact CD2-CG1 4.32Å; P154-V206 HydrophobicContact CB-CG1 4.38Å; Y155-V206 WeakPolarHBondContact O-CA 3.41Å; V156-V206 HydrophobicContact CG1-CG2 4.42Å; V156-V206 HydrophobicContact CG2-CG2 4.18Å; V206-I218 HydrophobicContact CB-CB 4.46Å; V206-I218 HydrophobicContact CG1-CB 4.32Å; V206-I218 HydrophobicContact CG1-CD1 4.24Å; V206-I218 WeakPolarHBondContact O-CB 3.39Å; V206-I218 PolarHBondContact O-N 3.1Å; V206-G219 PolarHBondContact N-O 2.75Å; V206-G219 PolarHBondContact O-N 2.84Å; V206-L240 HydrophobicContact CB-CD1 3.85Å; V206-L240 HydrophobicContact CB-CD2 4.45Å; V206-L240 HydrophobicContact CG1-CD1 4.32Å; V206-L240 HydrophobicContact CG2-CD1 3.65Å; V206-L240 HydrophobicContact CG2-CD2 3.64Å; V206-L240 HydrophobicContact CG2-CG 4.31Å
207C88.8Confident78.6Confident14 Ų1465.8 Ų65.810%0.09531%0.312CS..EExtended strand (participates in β ladder)trans-130.1154.6-178.3-61.20000109.3P154 Y155 E216P154-C207 CarbonylContact C-O 3.54Å; P154-C207 WeakPolarHBondContact CA-O 3.37Å; Y155-C207 HydrophobicContact CD1-CB 4.21Å; Y155-C207 WeakPolarHBondContact CD1-O 3.21Å; Y155-C207 HydrophobicContact CE1-CB 3.54Å; Y155-C207 HydrophobicContact CE2-CB 3.98Å; Y155-C207 VanDerWaalsContact CZ-CB 3.4Å; Y155-C207 PolarHBondContact N-O 3.35Å; Y155-C207 PolarHBondContact O-N 3.1Å; Y155-C207 WeakPolarHBondContact OH-CB 3.11Å; C207-E216 CarbonylContact C-O 3.6Å; C207-E216 WeakPolarHBondContact CA-O 3.28Å
208D86.2Confident78.5Confident0 Ų065 Ų650%031%0.309CS..EExtended strand (participates in β ladder)trans-91.3139.3167.6-157.7-8.8000110.2M146 A152 D153 N215 E216 I218M146-D208 HydrophobicContact CB-CB 4.21Å; M146-D208 VanDerWaalsContact CB-OD2 3.29Å; M146-D208 WeakPolarHBondContact CB-OD2 3.42Å; A152-D208 WeakPolarHBondContact CA-OD2 3.25Å; A152-D208 WeakPolarHBondContact CB-OD2 3.49Å; D153-D208 VanDerWaalsContact C-OD1 3.25Å; D153-D208 WeakPolarHBondContact CA-OD1 3.05Å; D153-D208 VanDerWaalsContact CB-OD1 3.26Å; D153-D208 WeakPolarHBondContact CB-OD1 3.26Å; D153-D208 PolarHBondContact N-OD1 3.26Å; D208-N215 CarbonylContact O-C 3.57Å; D208-N215 VanDerWaalsContact O-CA 3.23Å; D208-N215 WeakPolarHBondContact O-CA 3.47Å; D208-N215 VanDerWaalsContact O-CB 3.25Å; D208-N215 WeakPolarHBondContact O-CB 3.24Å; D208-E216 HydrophobicContact CB-CB 4.32Å; D208-E216 PolarHBondContact N-O 3.38Å; D208-E216 PolarHBondContact O-N 3Å; D208-I218 HydrophobicContact CB-CD1 4.17Å; D208-I218 HydrophobicContact CB-CG1 4.37Å
209E84.1Confident78.5Confident58 Ų5858.6 Ų58.627%0.27128%0.279SS..  trans-10892.3176.6-167.9170.3-132.500111D153 Y155 R171 T174D153-E209 PolarHBondContact O-N 2.82Å; D153-E209 VanDerWaalsContact O-N 3.11Å; Y155-E209 HydrophobicContact CD1-CB 3.78Å; Y155-E209 HydrophobicContact CE1-CB 3.74Å; Y155-E209 HydrophobicContact CE1-CG 4.43Å; R171-E209 IonicContact CZ-OE1 3.62Å; R171-E209 IonicContact NH1-OE1 3.14Å; R171-E209 PolarHBondContact NH1-OE1 3.11Å; R171-E209 IonicContact NH2-OE1 2.74Å; R171-E209 PolarHBondContact NH2-OE1 2.78Å; R171-E209 IonicContact NH2-OE2 3.17Å; R171-E209 PolarHBondContact NH2-OE2 2.76Å; T174-E209 WeakPolarHBondContact CB-OE2 3.44Å; T174-E209 HydrophobicContact CG2-CB 3.67Å; T174-E209 HydrophobicContact CG2-CG 4.48Å; T174-E209 VanDerWaalsContact CG2-OE2 3.3Å; T174-E209 WeakPolarHBondContact CG2-OE2 3.22Å; T174-E209 PolarHBondContact OG1-OE2 3.18Å
210D78.8Confident78.9Confident41 Ų4150.8 Ų50.822%0.21925%0.249CC..  trans-72.5132.8174.3-65.9-71000112.7F212D210-F212 VanDerWaalsContact C-N 3.26Å; D210-F212 PolarHBondContact O-N 3.48Å
211K58.7Low78.9Confident128 Ų12849.8 Ų49.856%0.55725%0.246SC*.SBendtrans-67.5-24.4175.6-71.7-179.1-1791740114.1
212F49.5Very low79Confident211 Ų21152.3 Ų52.393%0.92525%0.251SS*.SBendtrans-140.126.8-172.6-67.7-76.9000113.3D210D210-F212 VanDerWaalsContact C-N 3.26Å; D210-F212 PolarHBondContact O-N 3.48Å
213G57.3Low78.8Confident46 Ų4652.9 Ų52.947%0.47425%0.254SS..SBendtrans-145-171.4-176.700000113.7
214H56.8Low78.8Confident184 Ų18450.9 Ų50.985%0.85225%0.251SS*.  trans-86.4121.5169.9-67.8-68.1000109.1E216H214-E216 PolarHBondContact O-N 3.36Å
215N68.1Low78.5Confident77 Ų7750.9 Ų50.941%0.41225%0.251SS..  trans-44.4114.9176-64.823.4000112Y155 D208Y155-N215 PolarHBondContact OH-ND2 2.98Å; D208-N215 CarbonylContact O-C 3.57Å; D208-N215 VanDerWaalsContact O-CA 3.23Å; D208-N215 WeakPolarHBondContact O-CA 3.47Å; D208-N215 VanDerWaalsContact O-CB 3.25Å; D208-N215 WeakPolarHBondContact O-CB 3.24Å
216E72.9Confident78.3Confident91 Ų9157.6 Ų57.643%0.42528%0.279SS..  trans-83.8134.5-175.3-165.9159.5-15300111.7M146 C207 D208 H214 I218M146-E216 HydrophobicContact CB-CB 4.39Å; M146-E216 WeakPolarHBondContact CB-OE2 3.37Å; M146-E216 HydrophobicContact CE-CG 4.41Å; M146-E216 HydrophobicContact CG-CB 4.47Å; M146-E216 HydrophobicContact CG-CG 4.28Å; M146-E216 HydrophobicContact SD-CG 4.2Å; C207-E216 CarbonylContact C-O 3.6Å; C207-E216 WeakPolarHBondContact CA-O 3.28Å; D208-E216 HydrophobicContact CB-CB 4.32Å; D208-E216 PolarHBondContact N-O 3.38Å; D208-E216 PolarHBondContact O-N 3Å; H214-E216 PolarHBondContact O-N 3.36Å; E216-I218 PolarHBondContact O-N 2.92Å
217F81.3Confident77.9Confident67 Ų6760.2 Ų60.229%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-81.4121.3178.7173.4-91.8000110.3E220 V243F217-E220 HydrophobicContact CE2-CB 3.98Å; F217-E220 HydrophobicContact CZ-CB 3.71Å; F217-E220 HydrophobicContact CZ-CG 3.97Å; F217-E220 VanDerWaalsContact CZ-N 3.32Å; F217-V243 HydrophobicContact CD1-CG2 3.74Å; F217-V243 HydrophobicContact CE1-CB 4.41Å; F217-V243 HydrophobicContact CE1-CG2 3.24Å; F217-V243 HydrophobicContact CE2-CG2 4.06Å; F217-V243 HydrophobicContact CG-CG2 4.34Å; F217-V243 HydrophobicContact CZ-CG2 3.38Å
218I82.5Confident77.7Confident2 Ų260.5 Ų60.51%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-86.9-51.5178.4-58.2177.3000110L117 K144 M146 A152 P154 V206 D208 E216 L240L117-I218 WeakPolarHBondContact CD1-O 3.42Å; L117-I218 VanDerWaalsContact CD2-O 3.28Å; L117-I218 WeakPolarHBondContact CD2-O 3.23Å; L117-I218 WeakPolarHBondContact O-CG2 3.28Å; K144-I218 HydrophobicContact CB-CG2 4.3Å; M146-I218 HydrophobicContact CE-CB 4.32Å; M146-I218 HydrophobicContact CE-CG1 4.09Å; M146-I218 HydrophobicContact CE-CG2 4.48Å; M146-I218 HydrophobicContact CG-CD1 4.45Å; M146-I218 HydrophobicContact CG-CG1 3.9Å; A152-I218 HydrophobicContact CB-CD1 4.31Å; P154-I218 HydrophobicContact CB-CD1 4.41Å; V206-I218 HydrophobicContact CB-CB 4.46Å; V206-I218 HydrophobicContact CG1-CB 4.32Å; V206-I218 HydrophobicContact CG1-CD1 4.24Å; V206-I218 WeakPolarHBondContact O-CB 3.39Å; V206-I218 PolarHBondContact O-N 3.1Å; D208-I218 HydrophobicContact CB-CD1 4.17Å; D208-I218 HydrophobicContact CB-CG1 4.37Å; E216-I218 PolarHBondContact O-N 2.92Å; I218-L240 HydrophobicContact CG2-CD1 4.45Å
219G83.4Confident77.6Confident0 Ų067.2 Ų67.20%032%0.32CS..EExtended strand (participates in β ladder)trans178.8166-178.400000114.3S205 V206 E241S205-G219 CarbonylContact C-O 3.59Å; V206-G219 PolarHBondContact N-O 2.75Å; V206-G219 PolarHBondContact O-N 2.84Å; G219-E241 CarbonylContact C-O 3.54Å; G219-E241 VanDerWaalsContact CA-O 3.29Å; G219-E241 WeakPolarHBondContact CA-O 3.1Å
220E87.8Confident77.8Confident6 Ų670.4 Ų70.43%0.02834%0.337CS..EExtended strand (participates in β ladder)trans-131.1162.1178.271.3172.2-13400113.5R203 L204 F217 R222 E241R203-E220 WeakPolarHBondContact CD-OE2 3.36Å; L204-E220 CarbonylContact O-C 3.48Å; L204-E220 VanDerWaalsContact O-CA 3.22Å; L204-E220 WeakPolarHBondContact O-CA 3.3Å; L204-E220 WeakPolarHBondContact O-CB 3.4Å; F217-E220 HydrophobicContact CE2-CB 3.98Å; F217-E220 HydrophobicContact CZ-CB 3.71Å; F217-E220 HydrophobicContact CZ-CG 3.97Å; F217-E220 VanDerWaalsContact CZ-N 3.32Å; E220-R222 IonicContact OE1-CZ 3.39Å; E220-R222 IonicContact OE1-NE 3.54Å; E220-R222 PolarHBondContact OE1-NE 2.8Å; E220-R222 IonicContact OE1-NH2 3.11Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å; E220-E241 PolarHBondContact N-O 2.8Å; E220-E241 WeakPolarHBondContact O-CB 3.27Å; E220-E241 PolarHBondContact O-N 2.9Å
221T84.3Confident78.2Confident10 Ų1072.7 Ų72.76%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-142.7154167.7-174.30000109.6L120 F122 R203 L204 V238L120-T221 HydrophobicContact CD2-CG2 4.42Å; F122-T221 HydrophobicContact CE1-CG2 4.04Å; F122-T221 HydrophobicContact CZ-CG2 4.34Å; R203-T221 WeakPolarHBondContact CA-O 3.43Å; L204-T221 HydrophobicContact CB-CG2 3.85Å; L204-T221 HydrophobicContact CD1-CG2 4.05Å; L204-T221 HydrophobicContact CG-CG2 4.48Å; L204-T221 PolarHBondContact N-O 2.8Å; L204-T221 PolarHBondContact O-N 2.85Å; T221-V238 HydrophobicContact CG2-CG2 3.75Å
222R88.3Confident79.6Confident93 Ų9371.6 Ų71.635%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-130.1132.8-176.5-65.1-177.3-173.2-173.15.1111.2T201 L202 R203 E220T201-R222 HydrophobicContact CG2-CB 3.87Å; T201-R222 HydrophobicContact CG2-CG 4.46Å; L202-R222 CarbonylContact O-C 3.5Å; L202-R222 WeakPolarHBondContact O-CA 3.39Å; R203-R222 HydrophobicContact CB-CG 4.28Å; R203-R222 HydrophobicContact CG-CG 4.08Å; E220-R222 IonicContact OE1-CZ 3.39Å; E220-R222 IonicContact OE1-NE 3.54Å; E220-R222 PolarHBondContact OE1-NE 2.8Å; E220-R222 IonicContact OE1-NH2 3.11Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å
223V85.1Confident81.5Confident12 Ų1266.6 Ų66.67%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-123.2112.5176.5-174.20000109.3F122 L124 T201 L202 L204 L225 F236F122-V223 HydrophobicContact CE2-CG2 3.99Å; F122-V223 HydrophobicContact CZ-CG2 3.74Å; L124-V223 HydrophobicContact CD1-CB 4.12Å; L124-V223 HydrophobicContact CD1-CG1 3.87Å; L124-V223 HydrophobicContact CD1-CG2 4.34Å; T201-V223 CarbonylContact C-O 3.6Å; T201-V223 WeakPolarHBondContact CA-O 3.49Å; L202-V223 PolarHBondContact N-O 2.95Å; L202-V223 PolarHBondContact O-N 2.88Å; L204-V223 HydrophobicContact CD1-CG2 4.45Å; V223-L225 PolarHBondContact O-N 3.2Å; V223-F236 HydrophobicContact CG1-CE1 4.22Å; V223-F236 HydrophobicContact CG1-CZ 3.91Å; V223-F236 HydrophobicContact CG2-CE1 4.45Å
224A87.1Confident83.1Confident19 Ų1968.1 Ų68.116%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-66.3122.6170.900000109.4K226 K227A224-K226 HydrophobicContact CB-CG 4.17Å; A224-K226 PolarHBondContact O-N 2.88Å; A224-K227 HydrophobicContact CB-CD 4.31Å; A224-K227 HydrophobicContact CB-CG 4.38Å; A224-K227 WeakPolarHBondContact O-CB 3.16Å; A224-K227 PolarHBondContact O-N 2.92Å
225L86.4Confident84.7Confident0 Ų064.4 Ų64.40%030%0.304CS..G310 helixtrans-63.8-28.1-173-64.5-170.5000112.4L133 L160 M197 K200 L202 V223 K227 L228L133-L225 HydrophobicContact CD2-CD1 4.18Å; L133-L225 HydrophobicContact CD2-CD2 3.71Å; L160-L225 HydrophobicContact CD2-CD1 3.91Å; M197-L225 HydrophobicContact CE-CB 3.94Å; M197-L225 CarbonylContact O-C 3.18Å; M197-L225 WeakPolarHBondContact O-CB 3.4Å; M197-L225 HydrophobicContact SD-CB 4Å; M197-L225 HydrophobicContact SD-CD1 3.79Å; M197-L225 HydrophobicContact SD-CG 4.43Å; K200-L225 HydrophobicContact CB-CD1 3.91Å; K200-L225 HydrophobicContact CB-CG 4.42Å; K200-L225 WeakPolarHBondContact O-CB 3.22Å; K200-L225 PolarHBondContact O-N 3.47Å; L202-L225 HydrophobicContact CB-CD2 3.85Å; V223-L225 PolarHBondContact O-N 3.2Å; L225-K227 PolarHBondContact O-N 3.22Å; L225-L228 HydrophobicContact CD2-CD1 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å
226K85.5Confident85.6Confident150 Ų15062 Ų6265%0.65229%0.289SS*.G310 helixtrans-58.3-16.9175.270.9-179.7-178.8-179.90114.3M197 A224 L228M197-K226 VanDerWaalsContact O-CA 3.27Å; M197-K226 WeakPolarHBondContact O-CA 3.43Å; M197-K226 PolarHBondContact O-N 3.47Å; A224-K226 HydrophobicContact CB-CG 4.17Å; A224-K226 PolarHBondContact O-N 2.88Å; K226-L228 VanDerWaalsContact C-N 3.34Å
227K82.4Confident86.4Confident55 Ų5562.8 Ų62.824%0.23930%0.297CS..G310 helixtrans-86.4-5.1178-63.5178.6175.8174.50112.4A224 L225 N307 Y309A224-K227 HydrophobicContact CB-CD 4.31Å; A224-K227 HydrophobicContact CB-CG 4.38Å; A224-K227 WeakPolarHBondContact O-CB 3.16Å; A224-K227 PolarHBondContact O-N 2.92Å; L225-K227 PolarHBondContact O-N 3.22Å; K227-N307 PolarHBondContact NZ-O 3.25Å; K227-Y309 HydrophobicContact CD-CE2 4.29Å
228L85.1Confident86.4Confident20 Ų2061.1 Ų61.111%0.10529%0.292CS..SBendtrans-88.6140.3176.3-60.5178.7000110.2L124 L133 M197 L225 K226 K234 F236L124-L228 HydrophobicContact CB-CD1 3.91Å; L124-L228 HydrophobicContact CB-CD2 3.98Å; L124-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD1-CD2 4.18Å; L133-L228 HydrophobicContact CD1-CD1 3.78Å; M197-L228 HydrophobicContact CE-CB 4.21Å; M197-L228 HydrophobicContact CE-CD1 4.23Å; L225-L228 HydrophobicContact CD2-CD1 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å; K226-L228 VanDerWaalsContact C-N 3.34Å; L228-K234 HydrophobicContact CD2-CB 4.22Å; L228-K234 HydrophobicContact CD2-CD 4.24Å; L228-F236 HydrophobicContact CD2-CE2 4.11Å; L228-F236 HydrophobicContact CD2-CZ 3.94Å
229K85.4Confident86.4Confident141 Ų14163 Ų6361%0.61331%0.305SS*.PPolyproline II helixtrans-91.1138.9170.5-69.8-173.5-179.6-179.70108.5Q232K229-Q232 HydrophobicContact CB-CB 4.04Å; K229-Q232 PolarHBondContact O-N 3.43Å
230M86.8Confident86.3Confident126 Ų12663 Ų6362%0.62131%0.305SS*.BIsolated β-bridgetrans-54.8137.217455.3-174.58000111.2Q232M230-Q232 PolarHBondContact O-N 2.96Å
231N87.1Confident85.6Confident88 Ų8866.3 Ų66.347%0.47132%0.32SS..THydrogen-bonded Turntrans54.418.4177.1-56.9-19.5000115.1Y126 D127 Q128Y126-N231 WeakPolarHBondContact O-CA 3.33Å; Y126-N231 PolarHBondContact O-N 3.08Å; Y126-N231 PolarHBondContact O-OD1 3.3Å; D127-N231 WeakPolarHBondContact CA-OD1 3.21Å; Q128-N231 PolarHBondContact N-OD1 2.98Å
232Q88.8Confident84.7Confident105 Ų10573.3 Ų73.349%0.49135%0.345SS..  trans-120.1115.1178.1-178.1172.795.700110K229 M230 K234K229-Q232 HydrophobicContact CB-CB 4.04Å; K229-Q232 PolarHBondContact O-N 3.43Å; M230-Q232 PolarHBondContact O-N 2.96Å; Q232-K234 PolarHBondContact O-N 2.79Å
233K90.2Very high83.2Confident106 Ų10672.4 Ų72.446%0.46135%0.35SS..  trans-67.3127.7174.6-174.7170.8-178.5168.40109.5L124 L125L124-K233 WeakPolarHBondContact O-CA 3.48Å; L125-K233 HydrophobicContact CB-CB 4.25Å; L125-K233 HydrophobicContact CB-CG 4.41Å; L125-K233 HydrophobicContact CD1-CB 4.32Å
234K89.5Confident81.4Confident78 Ų7875.7 Ų75.734%0.33937%0.37SS..EExtended strand (participates in β ladder)trans-116.8123.5175.8-173.5167.6178.2173.20110G123 L124 L228 Q232 F236G123-K234 CarbonylContact C-O 3.53Å; G123-K234 VanDerWaalsContact CA-O 3.32Å; G123-K234 WeakPolarHBondContact CA-O 3.37Å; L124-K234 PolarHBondContact N-O 3.38Å; L124-K234 PolarHBondContact O-N 3.04Å; L228-K234 HydrophobicContact CD2-CB 4.22Å; L228-K234 HydrophobicContact CD2-CD 4.24Å; Q232-K234 PolarHBondContact O-N 2.79Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 4.27Å; K234-F236 HydrophobicContact CD-CE1 4.15Å; K234-F236 HydrophobicContact CD-CE2 4.1Å; K234-F236 HydrophobicContact CD-CZ 3.56Å; K234-F236 HydrophobicContact CG-CD2 4.42Å; K234-F236 HydrophobicContact CG-CE1 4.34Å; K234-F236 HydrophobicContact CG-CE2 3.72Å; K234-F236 HydrophobicContact CG-CZ 3.69Å; K234-F236 WeakPolarHBondContact O-CD2 3.27Å; K234-F236 WeakPolarHBondContact O-CE2 3.49Å
235N91Very high79.1Confident107 Ų10780 Ų8057%0.57240%0.396SS*.EExtended strand (participates in β ladder)trans-93.3142.2176.9-60.4-28.7000110.3
236F87.6Confident76.7Confident26 Ų2684.2 Ų84.211%0.11442%0.422CS..EExtended strand (participates in β ladder)trans-127.8137.1-179.3-62.7-91000108.4E121 F122 L124 V223 L228 K234 V238E121-F236 CarbonylContact C-O 3.5Å; E121-F236 VanDerWaalsContact CA-O 3.27Å; E121-F236 WeakPolarHBondContact CA-O 3.24Å; F122-F236 HydrophobicContact CD1-CB 4.08Å; F122-F236 HydrophobicContact CD2-CB 4.21Å; F122-F236 AromaticContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CG 4.42Å; F122-F236 HydrophobicContact CE1-CB 3.73Å; F122-F236 HydrophobicContact CE1-CG 4.46Å; F122-F236 HydrophobicContact CE2-CB 3.83Å; F122-F236 AromaticContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CE2 4.26Å; F122-F236 AromaticContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CG-CB 4.33Å; F122-F236 HydrophobicContact CZ-CB 3.58Å; F122-F236 HydrophobicContact CZ-CD1 4.49Å; F122-F236 HydrophobicContact CZ-CD2 4.09Å; F122-F236 AromaticContact CZ-CG 3.82Å; F122-F236 HydrophobicContact CZ-CG 3.82Å; F122-F236 PolarHBondContact N-O 3.49Å; F122-F236 PolarHBondContact O-N 3.49Å; L124-F236 HydrophobicContact CB-CE2 4.09Å; L124-F236 HydrophobicContact CD1-CD2 4.42Å; L124-F236 HydrophobicContact CD1-CE2 3.82Å; L124-F236 HydrophobicContact CD1-CZ 4.4Å; L124-F236 HydrophobicContact CG-CD2 4.21Å; L124-F236 HydrophobicContact CG-CE2 3.85Å; V223-F236 HydrophobicContact CG1-CE1 4.22Å; V223-F236 HydrophobicContact CG1-CZ 3.91Å; V223-F236 HydrophobicContact CG2-CE1 4.45Å; L228-F236 HydrophobicContact CD2-CE2 4.11Å; L228-F236 HydrophobicContact CD2-CZ 3.94Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 4.27Å; K234-F236 HydrophobicContact CD-CE1 4.15Å; K234-F236 HydrophobicContact CD-CE2 4.1Å; K234-F236 HydrophobicContact CD-CZ 3.56Å; K234-F236 HydrophobicContact CG-CD2 4.42Å; K234-F236 HydrophobicContact CG-CE1 4.34Å; K234-F236 HydrophobicContact CG-CE2 3.72Å; K234-F236 HydrophobicContact CG-CZ 3.69Å; K234-F236 WeakPolarHBondContact O-CD2 3.27Å; K234-F236 WeakPolarHBondContact O-CE2 3.49Å; F236-V238 HydrophobicContact CB-CG1 4.33Å
237N88Confident74.2Confident108 Ų10886.4 Ų86.458%0.57843%0.432SS*.EExtended strand (participates in β ladder)trans-130.4105.5165.5-179.4-1.5000105.9E121E121-N237 HydrophobicContact CG-CB 4.37Å
238V81.6Confident71.9Confident32 Ų3294.9 Ų94.919%0.19446%0.462CS..EExtended strand (participates in β ladder)trans-128.5139.8-169.7-61.40000110.3S119 L120 F122 T221 F236S119-V238 CarbonylContact C-O 3.49Å; S119-V238 WeakPolarHBondContact CA-O 3.38Å; S119-V238 WeakPolarHBondContact CB-O 3.47Å; L120-V238 PolarHBondContact N-O 2.8Å; L120-V238 PolarHBondContact O-N 3.06Å; F122-V238 HydrophobicContact CE1-CG2 3.69Å; F122-V238 HydrophobicContact CZ-CG2 4.47Å; T221-V238 HydrophobicContact CG2-CG2 3.75Å; F236-V238 HydrophobicContact CB-CG1 4.33Å
239C83.2Confident69.4Low42 Ų4299.9 Ų99.928%0.28449%0.494SS..EExtended strand (participates in β ladder)trans-69.8145.1168.6-58.90000109.8H300C239-H300 WeakPolarHBondContact CB-NE2 3.34Å
240L81.1Confident67.2Low0 Ų097.9 Ų97.90%050%0.503CS..PPolyproline II helixtrans-80.7135.9179.1-64.7171.7000110.8L117 G118 L120 L143 V206 I218L117-L240 HydrophobicContact CB-CB 3.91Å; L117-L240 WeakPolarHBondContact CD1-O 3.41Å; G118-L240 PolarHBondContact O-N 2.83Å; L120-L240 HydrophobicContact CB-CD2 3.94Å; L120-L240 HydrophobicContact CB-CG 4.46Å; L120-L240 HydrophobicContact CD2-CD2 4.49Å; L143-L240 HydrophobicContact CD2-CD1 3.57Å; V206-L240 HydrophobicContact CB-CD1 3.85Å; V206-L240 HydrophobicContact CB-CD2 4.45Å; V206-L240 HydrophobicContact CG1-CD1 4.32Å; V206-L240 HydrophobicContact CG2-CD1 3.65Å; V206-L240 HydrophobicContact CG2-CD2 3.64Å; V206-L240 HydrophobicContact CG2-CG 4.31Å; I218-L240 HydrophobicContact CG2-CD1 4.45Å
241E72.6Confident65.1Low75 Ų7597.8 Ų97.835%0.3551%0.51SS..BIsolated β-bridgetrans-94.8144.8178.8-62.9174-173.200110.6L117 G219 E220L117-E241 VanDerWaalsContact CD1-C 3.45Å; G219-E241 CarbonylContact C-O 3.54Å; G219-E241 VanDerWaalsContact CA-O 3.29Å; G219-E241 WeakPolarHBondContact CA-O 3.1Å; E220-E241 PolarHBondContact N-O 2.8Å; E220-E241 WeakPolarHBondContact O-CB 3.27Å; E220-E241 PolarHBondContact O-N 2.9Å
242R65.9Low62.7Low156 Ų15698.4 Ų98.459%0.58953%0.527SS*.PPolyproline II helixtrans-69.1140.7164-73-177.6-176.2-108.62.1107L117 V244L117-R242 HydrophobicContact CD1-CB 4.22Å; L117-R242 HydrophobicContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-N 3.35Å; L117-R242 HydrophobicContact CD2-CG 4.25Å; L117-R242 HydrophobicContact CG-CG 4.2Å; R242-V244 PolarHBondContact O-N 2.79Å
243V57.9Low60.1Low75 Ų7597.2 Ų97.246%0.45554%0.543SS..  trans-45110.8-177.1-178.20000109.9F217 P245F217-V243 HydrophobicContact CD1-CG2 3.74Å; F217-V243 HydrophobicContact CE1-CB 4.41Å; F217-V243 HydrophobicContact CE1-CG2 3.24Å; F217-V243 HydrophobicContact CE2-CG2 4.06Å; F217-V243 HydrophobicContact CG-CG2 4.34Å; F217-V243 HydrophobicContact CZ-CG2 3.38Å; V243-P245 WeakPolarHBondContact O-CD 3.27Å
244V46.8Very low57.8Low80 Ų8096.2 Ų96.249%0.48556%0.563SS.*  trans-66.2117.1165.1178.60000105.6R242 T246R242-V244 PolarHBondContact O-N 2.79Å; V244-T246 VanDerWaalsContact C-N 3.31Å; V244-T246 PolarHBondContact O-N 3Å
245P38.2Very low55.2Low109 Ų10997.1 Ų97.171%0.70859%0.585SS**  trans-62.1101.7170.8-14.128.5000106.3V243 K247V243-P245 WeakPolarHBondContact O-CD 3.27Å; P245-K247 PolarHBondContact O-N 2.9Å
246T37.1Very low52.8Low89 Ų89104.3 Ų104.355%0.54660%0.604SS.*  trans-63.598.7164.341.10000105.1V244 R248V244-T246 VanDerWaalsContact C-N 3.31Å; V244-T246 PolarHBondContact O-N 3Å; T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.9Å
247K32Very low50.2Low197 Ų197106.5 Ų106.586%0.85763%0.634SS**  trans-49.8108.2165-73.9-175.3179.6177.50105.2P245 T249P245-K247 PolarHBondContact O-N 2.9Å; K247-T249 PolarHBondContact O-N 2.76Å
248R34.5Very low48Very low232 Ų232109.2 Ų109.288%0.87565%0.647SS**  trans-59.1116.8173.5-70-176.1-169.3-179.25.7104.9T246 A250T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.9Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.04Å
249T31.9Very low45.7Very low126 Ų126112.5 Ų112.577%0.77368%0.678SS**  trans-58.2102.5161.446.50000106K247 T251K247-T249 PolarHBondContact O-N 2.76Å; T249-T251 VanDerWaalsContact C-N 3.27Å; T249-T251 PolarHBondContact O-N 3.3Å
250A40.1Very low43.4Very low98 Ų98117.2 Ų117.281%0.8170%0.699SS**  trans-69.588.5175.200000108.2R248R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.04Å
251T41.4Very low41.4Very low125 Ų125127.5 Ų127.577%0.76774%0.739SS**  trans-14482.7163.335.40000109.1T249T249-T251 VanDerWaalsContact C-N 3.27Å; T249-T251 PolarHBondContact O-N 3.3Å
252A37.2Very low39.7Very low100 Ų100132.8 Ų132.883%0.82676%0.764SS**SBendtrans164.5121.8132.200000110.7
253G34.7Very low38.3Very low80 Ų80132.8 Ų132.883%0.82578%0.776SS**  trans56.1106140.400000118.1
254G41.2Very low37.1Very low85 Ų85137.6 Ų137.688%0.87679%0.793SS**  trans-63.1146.717400000114.6
255A35.4Very low36.9Very low97 Ų97139.7 Ų139.780%0.80281%0.809SS**  trans-164.9109.4138.100000109.4
256R40.1Very low37Very low259 Ų259137.6 Ų137.698%0.97781%0.807SS**  trans33.7118.3144.9-67.3178.5171.1146.2-2.3118.7
257G34.3Very low36.9Very low72 Ų72143.2 Ų143.274%0.74282%0.824SS**  trans155.484.4146.300000116.3
258I41.2Very low37.4Very low165 Ų165143.8 Ų143.885%0.84683%0.829SS**  trans68103.1150.5-47.3175000116.9
259A32.8Very low37.4Very low101 Ų101135.6 Ų135.684%0.83582%0.817SS**  trans-144.794.2147.800000108.6
260L35.3Very low37.8Very low140 Ų140136.2 Ų136.273%0.73382%0.821SS**  trans-66.5130.6145.1-65.8156.5000104.3
261Y37.8Very low37.9Very low216 Ų216139 Ų13985%0.84782%0.822SS**  cis-140.9153.249.5-71.5-99.4000110.9
262E38.7Very low38.5Very low187 Ų187134.7 Ų134.787%0.87480%0.8SS**  trans-54.3127.5179.4-71.5153.9141.200112.4E264E262-E264 PolarHBondContact O-N 3.23Å
263D35.9Very low39.7Very low156 Ų156135.1 Ų135.183%0.83478%0.784SS**  trans-81.5104.2165.5-157.525.3000105.8P265D263-P265 VanDerWaalsContact O-CD 3.23Å; D263-P265 WeakPolarHBondContact O-CD 3.46Å
264E33.1Very low41.5Very low176 Ų176136.5 Ų136.582%0.82277%0.769SS**  trans-66.9110.5170.4-82.4-89.3113.200108.1E262 G266E262-E264 PolarHBondContact O-N 3.23Å; E264-G266 PolarHBondContact O-N 2.88Å
265P42.5Very low43.4Very low124 Ų124135.4 Ų135.481%0.80574%0.739SS**  trans-86.997.4-175.533-25.3000108.2D263D263-P265 VanDerWaalsContact O-CD 3.23Å; D263-P265 WeakPolarHBondContact O-CD 3.46Å
266G40.3Very low45.7Very low65 Ų65131 Ų13167%0.6770%0.702SS**  trans-173.366.4-176.300000115.7E264E264-G266 PolarHBondContact O-N 2.88Å
267K34Very low48Very low207 Ų207120.6 Ų120.690%0.966%0.663SS**  trans-170.781.7143.1-104.4167-171.1-178.10110.2
268E42.7Very low50.8Low208 Ų208117.2 Ų117.297%0.97263%0.628SS**  trans-62.6127.8152.3-74.3-173.9143.400108.6
269G35.6Very low53.2Low60 Ų60110.1 Ų110.162%0.61959%0.592SS**  trans168.184173.600000113.3
270T40.3Very low56.3Low139 Ų139105.3 Ų105.385%0.85355%0.552SS**  trans65.677.5165.553.70000116.9A272T270-A272 PolarHBondContact O-N 2.86Å
271D41.1Very low59.2Low156 Ų15698.7 Ų98.783%0.83452%0.517SS*.  trans-73.770.7167.5-72-34.6000111.2E273D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.89Å
272A54.1Low61.9Low36 Ų3688.4 Ų88.430%0.29848%0.477SS..  trans-70.791.9158.300000107.1T270 E274 L410T270-A272 PolarHBondContact O-N 2.86Å; A272-E274 PolarHBondContact O-N 2.88Å; A272-E274 VanDerWaalsContact O-N 3.17Å; A272-L410 HydrophobicContact CB-CD1 4.48Å; A272-L410 HydrophobicContact CB-CD2 4.02Å
273E61.7Low64.6Low109 Ų10981.1 Ų81.151%0.50944%0.443SS..  trans-53.8121178.8-68.6179.115700109.8D271 R275D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.89Å; E273-R275 HydrophobicContact CB-CG 4.49Å; E273-R275 PolarHBondContact O-N 2.77Å; E273-R275 IonicContact OE2-CZ 2.6Å; E273-R275 IonicContact OE2-NE 2.87Å; E273-R275 IonicContact OE2-NH2 2.78Å; E273-R275 PolarHBondContact OE2-NH2 2.84Å; E273-R275 VanDerWaalsContact OE2-NH2 3.12Å
274E73.1Confident67.4Low108 Ų10873.7 Ų73.751%0.50540%0.404SS..EExtended strand (participates in β ladder)trans-66.3114.5171.8169.7169.2-173.700108.8A272 R277 T408A272-E274 PolarHBondContact O-N 2.88Å; A272-E274 VanDerWaalsContact O-N 3.17Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 IonicContact OE1-NE 3.27Å; E274-R277 PolarHBondContact OE1-NE 2.88Å; E274-R277 IonicContact OE1-NH2 2.68Å; E274-T408 HydrophobicContact CB-CG2 4Å; E274-T408 HydrophobicContact CG-CG2 3.54Å
275R82.2Confident70.3Confident63 Ų6365.7 Ų65.724%0.23837%0.367CS..EExtended strand (participates in β ladder)trans-108.726.2-176.9-68.4-172.7174.5-165.3-0.5113.4E273 L301 A302 I375 L409E273-R275 HydrophobicContact CB-CG 4.49Å; E273-R275 PolarHBondContact O-N 2.77Å; E273-R275 IonicContact OE2-CZ 2.6Å; E273-R275 IonicContact OE2-NE 2.87Å; E273-R275 IonicContact OE2-NH2 2.78Å; E273-R275 PolarHBondContact OE2-NH2 2.84Å; E273-R275 VanDerWaalsContact OE2-NH2 3.12Å; R275-L301 WeakPolarHBondContact O-CA 3.41Å; R275-A302 HydrophobicContact CB-CB 3.95Å; R275-A302 HydrophobicContact CG-CB 4.11Å; R275-A302 PolarHBondContact O-N 2.75Å; R275-A302 VanDerWaalsContact O-N 3.1Å; R275-I375 HydrophobicContact CB-CG2 4.4Å; R275-I375 WeakPolarHBondContact CB-O 3.49Å; R275-I375 WeakPolarHBondContact CD-O 3.15Å; R275-L409 PolarHBondContact N-O 3.32Å
276G83.5Confident72.6Confident3 Ų362.2 Ų62.23%0.03134%0.344CS..EExtended strand (participates in β ladder)trans116.9-174.2178.800000113V299 H300 L409G276-V299 WeakPolarHBondContact CA-O 3.21Å; G276-H300 WeakPolarHBondContact CA-O 3.38Å; G276-H300 PolarHBondContact N-O 2.81Å; G276-L409 WeakPolarHBondContact O-CB 3.18Å; G276-L409 PolarHBondContact O-N 3.36Å
277R87.3Confident75Confident42 Ų4267.2 Ų67.216%0.15835%0.349CS..EExtended strand (participates in β ladder)trans-133.7151.3179.2-51.8-175.2-159.3156.410.2111T115 E274 C298 V299 W406 H407T115-R277 PolarHBondContact O-NH1 3.39Å; T115-R277 VanDerWaalsContact O-NH1 3.1Å; T115-R277 PolarHBondContact O-NH2 2.84Å; T115-R277 PolarHBondContact OG1-NH1 2.61Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 IonicContact OE1-NE 3.27Å; E274-R277 PolarHBondContact OE1-NE 2.88Å; E274-R277 IonicContact OE1-NH2 2.68Å; R277-C298 CarbonylContact O-C 3.33Å; R277-C298 WeakPolarHBondContact O-CA 3.21Å; R277-C298 WeakPolarHBondContact O-CB 3.09Å; R277-V299 HydrophobicContact CB-CG2 3.98Å; R277-V299 PolarHBondContact N-O 2.74Å; R277-V299 PolarHBondContact O-N 3.04Å; R277-W406 HydrophobicContact CB-CE3 3.83Å; R277-W406 HydrophobicContact CB-CZ3 4.24Å; R277-H407 CarbonylContact C-O 3.58Å; R277-H407 VanDerWaalsContact CA-O 3.24Å; R277-H407 WeakPolarHBondContact CA-O 3.31Å
278I92.9Very high77.7Confident0 Ų062.2 Ų62.20%033%0.332CS..EExtended strand (participates in β ladder)trans-124.9131.9178.1-173.5165.9000110.2M280 V295 V314 I361 V363 W406 H407 L409I278-M280 HydrophobicContact CD1-SD 3.61Å; I278-M280 HydrophobicContact CG1-CG 4.19Å; I278-M280 HydrophobicContact CG1-SD 3.76Å; I278-M280 HydrophobicContact CG2-CG 4.18Å; I278-V295 HydrophobicContact CD1-CG1 4.15Å; I278-V314 HydrophobicContact CD1-CG1 3.9Å; I278-V314 HydrophobicContact CD1-CG2 3.93Å; I278-I361 HydrophobicContact CD1-CG2 3.92Å; I278-V363 HydrophobicContact CD1-CG2 4.14Å; I278-W406 VanDerWaalsContact C-CE3 3.41Å; I278-W406 CarbonylContact O-C 3.52Å; I278-W406 WeakPolarHBondContact O-CA 3.46Å; I278-H407 HydrophobicContact CG2-CB 4.07Å; I278-H407 PolarHBondContact N-O 2.86Å; I278-H407 PolarHBondContact O-N 2.81Å; I278-L409 HydrophobicContact CB-CD2 4.18Å; I278-L409 HydrophobicContact CB-CG 4.46Å; I278-L409 HydrophobicContact CG2-CD2 3.63Å; I278-L409 HydrophobicContact CG2-CG 4.23Å
279L93.4Very high80Confident17 Ų1756.8 Ų56.89%0.08931%0.31CS..EExtended strand (participates in β ladder)trans-90.6113.5171.8-178.458.9000108.4V296 R297 E404 W406L279-V296 HydrophobicContact CB-CB 4.18Å; L279-V296 HydrophobicContact CD2-CB 3.99Å; L279-V296 HydrophobicContact CD2-CG1 3.86Å; L279-V296 HydrophobicContact CD2-CG2 4.41Å; L279-V296 HydrophobicContact CG-CB 3.95Å; L279-V296 HydrophobicContact CG-CG1 4.39Å; L279-V296 HydrophobicContact CG-CG2 4.17Å; L279-V296 PolarHBondContact O-N 2.88Å; L279-V296 VanDerWaalsContact O-N 3.09Å; L279-R297 HydrophobicContact CB-CG 4.14Å; L279-R297 HydrophobicContact CD2-CG 4.31Å; L279-R297 PolarHBondContact N-O 3.45Å; L279-E404 HydrophobicContact CD1-CB 4.17Å; L279-W406 HydrophobicContact CB-CD2 3.94Å; L279-W406 HydrophobicContact CB-CE3 3.78Å; L279-W406 HydrophobicContact CB-CH2 3.69Å; L279-W406 HydrophobicContact CB-CZ2 3.83Å; L279-W406 HydrophobicContact CB-CZ3 3.65Å; L279-W406 HydrophobicContact CD1-CD2 4.14Å; L279-W406 HydrophobicContact CD1-CG 4.22Å; L279-W406 HydrophobicContact CD2-CZ2 4.04Å; L279-W406 HydrophobicContact CG-CZ2 4.37Å
280M96.3Very high82.8Confident0 Ų058.3 Ų58.30%030%0.297CS..EExtended strand (participates in β ladder)trans-108.4139.1-179.9-65.7-62.6-54.100109.6I278 V293 V295 I361 H391 E404 R405I278-M280 HydrophobicContact CD1-SD 3.61Å; I278-M280 HydrophobicContact CG1-CG 4.19Å; I278-M280 HydrophobicContact CG1-SD 3.76Å; I278-M280 HydrophobicContact CG2-CG 4.18Å; M280-V293 HydrophobicContact CE-CG1 3.43Å; M280-V293 VanDerWaalsContact CE-CG1 3.43Å; M280-V295 HydrophobicContact CE-CG2 4.04Å; M280-V295 HydrophobicContact SD-CG2 4.13Å; M280-I361 HydrophobicContact CE-CD1 3.78Å; M280-I361 HydrophobicContact CE-CG1 4.27Å; M280-I361 HydrophobicContact CG-CD1 3.91Å; M280-I361 HydrophobicContact SD-CD1 4Å; M280-I361 HydrophobicContact SD-CG2 4.24Å; M280-H391 PolarHBondContact O-CE1 2.86Å; M280-H391 VanDerWaalsContact O-CE1 3.23Å; M280-E404 CarbonylContact O-C 3.54Å; M280-E404 VanDerWaalsContact O-CA 3.29Å; M280-E404 WeakPolarHBondContact O-CA 3.16Å; M280-R405 PolarHBondContact N-O 2.73Å; M280-R405 PolarHBondContact O-N 2.78Å
281S96Very high85.4Confident0 Ų051.7 Ų51.70%026%0.256CS..EExtended strand (participates in β ladder)trans-108.6126.6170.6168.90000109.3V293 G294 R402 I403S281-V293 CarbonylContact O-C 3.59Å; S281-V293 WeakPolarHBondContact O-CA 3.41Å; S281-G294 PolarHBondContact N-O 3.36Å; S281-G294 PolarHBondContact O-N 3.02Å; S281-R402 VanDerWaalsContact OG-CG 3.26Å; S281-R402 WeakPolarHBondContact OG-CG 3.47Å; S281-R402 PolarHBondContact OG-NH1 3.31Å; S281-I403 CarbonylContact C-O 3.28Å; S281-I403 WeakPolarHBondContact CA-O 3.32Å
282L95.9Very high87.9Confident0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-119.9134.9173.5-62-178.7000110.5V293 L359 L380 W392 C395 I403L282-V293 HydrophobicContact CD2-CB 4.26Å; L282-V293 HydrophobicContact CD2-CG1 3.96Å; L282-V293 HydrophobicContact CD2-CG2 3.86Å; L282-L359 HydrophobicContact CD2-CD2 3.79Å; L282-L380 HydrophobicContact CD1-CD1 3.85Å; L282-W392 HydrophobicContact CD1-CE3 3.97Å; L282-W392 HydrophobicContact CD1-CZ3 4.38Å; L282-C395 HydrophobicContact CB-CB 3.92Å; L282-C395 HydrophobicContact CD1-CB 4.33Å; L282-I403 PolarHBondContact N-O 3.06Å; L282-I403 PolarHBondContact O-N 2.97Å
283M95.1Very high89.9Confident34 Ų3443.6 Ų43.617%0.16721%0.208CC..EExtended strand (participates in β ladder)trans-147128.6173.9-179.3-174.4126.300109.5I292 R402M283-I292 HydrophobicContact CB-CB 4.4Å; M283-I292 HydrophobicContact CE-CD1 3.82Å; M283-I292 PolarHBondContact N-O 3.5Å; M283-I292 PolarHBondContact O-N 2.9Å; M283-R402 HydrophobicContact CB-CB 4.48Å
284Y94.7Very high91.6Very high1 Ų138.6 Ų38.60%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-96.4115.9167.9-173.2-102.3000110.4T286 R290 L291 I349 H351 L354 D400Y284-T286 HydrophobicContact CD1-CG2 4.2Å; Y284-T286 HydrophobicContact CE1-CG2 4.21Å; Y284-R290 WeakPolarHBondContact CD2-O 3.35Å; Y284-L291 HydrophobicContact CD2-CB 4.37Å; Y284-I349 HydrophobicContact CE2-CG2 4.42Å; Y284-I349 VanDerWaalsContact CE2-O 3.25Å; Y284-I349 WeakPolarHBondContact CE2-O 3.3Å; Y284-I349 PolarHBondContact OH-O 3.42Å; Y284-H351 HydrophobicContact CD1-CB 4.32Å; Y284-H351 AromaticContact CD1-CD2 3.65Å; Y284-H351 HydrophobicContact CE1-CB 3.55Å; Y284-H351 AromaticContact CE1-CD2 3.8Å; Y284-H351 PolarHBondContact OH-N 2.94Å; Y284-L354 HydrophobicContact CD2-CD1 3.32Å; Y284-L354 HydrophobicContact CD2-CG 4.42Å; Y284-L354 HydrophobicContact CE2-CD1 3.67Å; Y284-L354 HydrophobicContact CE2-CG 4.47Å; Y284-L354 HydrophobicContact CG-CD1 3.83Å; Y284-D400 WeakPolarHBondContact O-CA 3.33Å; Y284-D400 PolarHBondContact O-N 3.34Å
285S93.8Very high92.7Very high7 Ų733.4 Ų33.45%0.04916%0.161CC..EExtended strand (participates in β ladder)trans-88.9116.7175.1-178.50000110.5L288 N289 R290 D400S285-L288 PolarHBondContact OG-N 2.98Å; S285-N289 WeakPolarHBondContact O-CA 3.29Å; S285-N289 PolarHBondContact O-N 2.9Å; S285-R290 PolarHBondContact N-O 3.25Å; S285-R290 PolarHBondContact O-N 3.38Å; S285-D400 VanDerWaalsContact CA-OD1 3.28Å; S285-D400 WeakPolarHBondContact CA-OD1 3.42Å
286T91Very high93.2Very high52 Ų5231.5 Ų31.532%0.31916%0.156SC..THydrogen-bonded Turntrans-73.3-33.3175.859.40000111.8Y284 L288 N289 K399 D400Y284-T286 HydrophobicContact CD1-CG2 4.2Å; Y284-T286 HydrophobicContact CE1-CG2 4.21Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 2.94Å; T286-N289 PolarHBondContact O-N 3.42Å; T286-K399 HydrophobicContact CG2-CB 3.75Å; T286-K399 HydrophobicContact CG2-CD 3.75Å; T286-K399 HydrophobicContact CG2-CG 4.03Å; T286-D400 WeakPolarHBondContact CB-OD2 3.45Å; T286-D400 VanDerWaalsContact CG2-OD2 3.24Å; T286-D400 WeakPolarHBondContact CG2-OD2 3.46Å; T286-D400 PolarHBondContact N-OD1 3.44Å; T286-D400 VanDerWaalsContact OG1-CG 3.31Å; T286-D400 PolarHBondContact OG1-OD1 2.98Å; T286-D400 PolarHBondContact OG1-OD2 2.86Å
287Q91.2Very high93.4Very high170 Ų17035.7 Ų35.779%0.79417%0.171SC*.THydrogen-bonded Turntrans-63.7-41.4177.5-61.9-177.521.500111.6
288L90Very high93.5Very high102 Ų10233.7 Ų33.753%0.53416%0.164SC..THydrogen-bonded Turntrans-94.6-8.9-177.9-59.4177.9000113.5S285 T286 R290S285-L288 PolarHBondContact OG-N 2.98Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 2.94Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 HydrophobicContact CB-CB 4.24Å; L288-R290 HydrophobicContact CB-CG 4.35Å; L288-R290 WeakPolarHBondContact O-CG 3.46Å; L288-R290 PolarHBondContact O-N 2.7Å
289N91.8Very high92.7Very high94 Ų9434.4 Ų34.450%0.50317%0.168SC..THydrogen-bonded Turntrans50.145.8-170.6-68.8-63.5000112.6S285 T286 I349S285-N289 WeakPolarHBondContact O-CA 3.29Å; S285-N289 PolarHBondContact O-N 2.9Å; T286-N289 PolarHBondContact O-N 3.42Å; N289-I349 CarbonylContact C-O 3.39Å; N289-I349 PolarHBondContact O-N 3.15Å
290R93.8Very high91.7Very high91 Ų9136.4 Ų36.434%0.34318%0.177SC..EExtended strand (participates in β ladder)trans-135.7142.7-174-75.3168.8-173.1-161.5-15111.7Y284 S285 L288 F347 D348Y284-R290 WeakPolarHBondContact CD2-O 3.35Å; S285-R290 PolarHBondContact N-O 3.25Å; S285-R290 PolarHBondContact O-N 3.38Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 HydrophobicContact CB-CB 4.24Å; L288-R290 HydrophobicContact CB-CG 4.35Å; L288-R290 WeakPolarHBondContact O-CG 3.46Å; L288-R290 PolarHBondContact O-N 2.7Å; R290-F347 CarbonylContact C-O 3.44Å; R290-F347 VanDerWaalsContact CA-O 3.24Å; R290-F347 WeakPolarHBondContact CA-O 3.22Å; R290-D348 WeakPolarHBondContact CD-OD1 3.4Å; R290-D348 VanDerWaalsContact CG-OD1 3.32Å; R290-D348 WeakPolarHBondContact CG-OD1 3.08Å; R290-D348 IonicContact CZ-OD1 3.6Å; R290-D348 IonicContact NE-OD1 3.12Å; R290-D348 PolarHBondContact NE-OD1 2.78Å; R290-D348 IonicContact NH2-OD1 3.84Å; R290-D348 PolarHBondContact NH2-OD1 2.85Å; R290-D348 IonicContact NH2-OD2 2.68Å
291L93.9Very high90.8Very high0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-85.9121.1164.717869.6000108.9Y284 V293 L318 S346 F347 I349 L354 W392Y284-L291 HydrophobicContact CD2-CB 4.37Å; L291-V293 HydrophobicContact CD2-CG2 3.84Å; L291-V293 HydrophobicContact CG-CG2 3.87Å; L291-L318 HydrophobicContact CD2-CD1 4.41Å; L291-S346 CarbonylContact O-C 3.55Å; L291-S346 WeakPolarHBondContact O-CA 3.28Å; L291-F347 HydrophobicContact CB-CB 4.43Å; L291-F347 PolarHBondContact N-O 3.17Å; L291-F347 PolarHBondContact O-N 3.37Å; L291-I349 HydrophobicContact CB-CG2 3.83Å; L291-L354 HydrophobicContact CB-CD2 4.23Å; L291-L354 HydrophobicContact CD1-CD2 4.25Å; L291-L354 HydrophobicContact CD2-CD2 3.88Å; L291-L354 HydrophobicContact CG-CD2 4.34Å; L291-W392 HydrophobicContact CD2-CH2 3.95Å; L291-W392 HydrophobicContact CD2-CZ3 4.21Å
292I94.9Very high89.7Confident23 Ų2337.8 Ų37.812%0.11819%0.187CC..EExtended strand (participates in β ladder)trans-99.9120.9173.8-53.5179.4000107.9M283 E344 F345M283-I292 HydrophobicContact CB-CB 4.4Å; M283-I292 HydrophobicContact CE-CD1 3.82Å; M283-I292 PolarHBondContact N-O 3.5Å; M283-I292 PolarHBondContact O-N 2.9Å; I292-E344 HydrophobicContact CG2-CB 4.27Å; I292-F345 CarbonylContact C-O 3.53Å; I292-F345 WeakPolarHBondContact CA-O 3.46Å
293V96.4Very high88.8Confident0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-115.6109.8179.5-177.60000108.2M280 S281 L282 L291 I316 E344 F345 F347 L359M280-V293 HydrophobicContact CE-CG1 3.43Å; M280-V293 VanDerWaalsContact CE-CG1 3.43Å; S281-V293 CarbonylContact O-C 3.59Å; S281-V293 WeakPolarHBondContact O-CA 3.41Å; L282-V293 HydrophobicContact CD2-CB 4.26Å; L282-V293 HydrophobicContact CD2-CG1 3.96Å; L282-V293 HydrophobicContact CD2-CG2 3.86Å; L291-V293 HydrophobicContact CD2-CG2 3.84Å; L291-V293 HydrophobicContact CG-CG2 3.87Å; V293-I316 HydrophobicContact CG1-CD1 3.94Å; V293-I316 HydrophobicContact CG1-CG2 4.37Å; V293-E344 WeakPolarHBondContact O-CA 3.31Å; V293-F345 PolarHBondContact N-O 2.84Å; V293-F345 PolarHBondContact O-N 2.85Å; V293-F347 HydrophobicContact CB-CE2 4.24Å; V293-F347 HydrophobicContact CG2-CD2 3.92Å; V293-F347 HydrophobicContact CG2-CE2 3.81Å; V293-L359 HydrophobicContact CG1-CD2 3.85Å; V293-L359 HydrophobicContact CG2-CD1 4.19Å; V293-L359 HydrophobicContact CG2-CD2 4.01Å
294G96.1Very high88.1Confident3 Ų340.9 Ų40.93%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-93.2129.6173.200000111.6S281 E343S281-G294 PolarHBondContact N-O 3.36Å; S281-G294 PolarHBondContact O-N 3.02Å; G294-E343 CarbonylContact C-O 3.49Å; G294-E343 WeakPolarHBondContact CA-O 3.42Å
295V96.9Very high86.9Confident0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-97.3104.4164-178.60000107I278 M280 V314 I316 T330 F341 N342 E343 F345I278-V295 HydrophobicContact CD1-CG1 4.15Å; M280-V295 HydrophobicContact CE-CG2 4.04Å; M280-V295 HydrophobicContact SD-CG2 4.13Å; V295-V314 HydrophobicContact CG1-CB 4.23Å; V295-V314 HydrophobicContact CG1-CG1 4.48Å; V295-V314 HydrophobicContact CG1-CG2 3.87Å; V295-V314 HydrophobicContact CG2-CG1 4.27Å; V295-I316 HydrophobicContact CG2-CD1 3.36Å; V295-I316 HydrophobicContact CG2-CG1 4.19Å; V295-T330 HydrophobicContact CB-CG2 4.05Å; V295-T330 HydrophobicContact CG1-CG2 4.11Å; V295-T330 HydrophobicContact CG2-CG2 4.09Å; V295-F341 HydrophobicContact CB-CB 4.42Å; V295-F341 HydrophobicContact CG1-CB 3.99Å; V295-F341 HydrophobicContact CG1-CD2 3.62Å; V295-F341 HydrophobicContact CG1-CE2 4.37Å; V295-F341 HydrophobicContact CG1-CG 3.99Å; V295-F341 WeakPolarHBondContact O-CB 2.99Å; V295-N342 WeakPolarHBondContact O-CA 3.42Å; V295-N342 PolarHBondContact O-N 3.19Å; V295-E343 PolarHBondContact N-O 3.16Å; V295-E343 PolarHBondContact O-N 3.27Å; V295-F345 HydrophobicContact CG2-CD2 4.44Å; V295-F345 HydrophobicContact CG2-CE2 4.08Å
296V92.3Very high85.2Confident23 Ų2347.7 Ų47.714%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-82.1-67.3-174.9-173.90000109.3L279 F341 N342L279-V296 HydrophobicContact CB-CB 4.18Å; L279-V296 HydrophobicContact CD2-CB 3.99Å; L279-V296 HydrophobicContact CD2-CG1 3.86Å; L279-V296 HydrophobicContact CD2-CG2 4.41Å; L279-V296 HydrophobicContact CG-CB 3.95Å; L279-V296 HydrophobicContact CG-CG1 4.39Å; L279-V296 HydrophobicContact CG-CG2 4.17Å; L279-V296 PolarHBondContact O-N 2.88Å; L279-V296 VanDerWaalsContact O-N 3.09Å; V296-F341 PolarHBondContact O-N 3.12Å; V296-N342 PolarHBondContact O-N 3.11Å; V296-N342 PolarHBondContact O-OD1 3.15Å
297R88.3Confident83.7Confident90 Ų9048.4 Ų48.434%0.3426%0.264SS..EExtended strand (participates in β ladder)trans-159.3160-17861.9-175.8-179.2115.5-8.4112.1L279 P339 E340 W406L279-R297 HydrophobicContact CB-CG 4.14Å; L279-R297 HydrophobicContact CD2-CG 4.31Å; L279-R297 PolarHBondContact N-O 3.45Å; R297-P339 CarbonylContact C-O 3.55Å; R297-P339 WeakPolarHBondContact CA-O 3.49Å; R297-P339 WeakPolarHBondContact CB-O 3.07Å; R297-E340 HydrophobicContact CB-CB 4.47Å; R297-E340 HydrophobicContact CB-CG 4.02Å; R297-W406 HydrophobicContact CG-CH2 3.89Å
298C88.2Confident82.4Confident1 Ų142 Ų421%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-110.9157.6165.3-55.80000110.6R277 L301 N338 P339R277-C298 CarbonylContact O-C 3.33Å; R277-C298 WeakPolarHBondContact O-CA 3.21Å; R277-C298 WeakPolarHBondContact O-CB 3.09Å; C298-L301 HydrophobicContact CB-CD1 3.81Å; C298-L301 HydrophobicContact CB-CD2 3.7Å; C298-L301 HydrophobicContact CB-CG 3.75Å; C298-N338 CarbonylContact O-C 3.51Å; C298-N338 VanDerWaalsContact O-CA 3.23Å; C298-N338 WeakPolarHBondContact O-CA 3.15Å; C298-P339 HydrophobicContact CB-CG 3.75Å; C298-P339 PolarHBondContact N-O 3.1Å
299V76Confident81.5Confident15 Ų1540.3 Ų40.39%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-135.7148.9171.8-64.40000110.4G276 R277 L301 N338 W406G276-V299 WeakPolarHBondContact CA-O 3.21Å; R277-V299 HydrophobicContact CB-CG2 3.98Å; R277-V299 PolarHBondContact N-O 2.74Å; R277-V299 PolarHBondContact O-N 3.04Å; V299-L301 PolarHBondContact O-N 3.41Å; V299-N338 VanDerWaalsContact CA-OD1 3.27Å; V299-N338 WeakPolarHBondContact CA-OD1 3.38Å; V299-W406 HydrophobicContact CB-CH2 4.36Å; V299-W406 HydrophobicContact CB-CZ3 4.42Å; V299-W406 HydrophobicContact CG1-CH2 3.7Å; V299-W406 HydrophobicContact CG1-CZ3 4.21Å; V299-W406 HydrophobicContact CG2-CE3 4.3Å; V299-W406 HydrophobicContact CG2-CH2 3.8Å; V299-W406 HydrophobicContact CG2-CZ3 3.58Å
300H72.3Confident80.9Confident58 Ų5835.8 Ų35.827%0.26921%0.207SC..SBendtrans55.236.6175.4-52.5167.6000113.4C239 G276 L337 N338C239-H300 WeakPolarHBondContact CB-NE2 3.34Å; G276-H300 WeakPolarHBondContact CA-O 3.38Å; G276-H300 PolarHBondContact N-O 2.81Å; H300-L337 PolarHBondContact N-O 2.77Å; H300-N338 PolarHBondContact N-OD1 3.04Å
301L78.2Confident80.5Confident4 Ų432.4 Ų32.42%0.02120%0.196CC..  trans-59.6144.2174.6-65.1-176.2000110.2R275 C298 V299 A303 P312 L337 P339 V363 I375 L409R275-L301 WeakPolarHBondContact O-CA 3.41Å; C298-L301 HydrophobicContact CB-CD1 3.81Å; C298-L301 HydrophobicContact CB-CD2 3.7Å; C298-L301 HydrophobicContact CB-CG 3.75Å; V299-L301 PolarHBondContact O-N 3.41Å; L301-A303 PolarHBondContact O-N 2.79Å; L301-P312 HydrophobicContact CD1-CB 3.45Å; L301-P312 VanDerWaalsContact CD1-CB 3.45Å; L301-P312 HydrophobicContact CD1-CG 3.81Å; L301-L337 HydrophobicContact CB-CB 4.38Å; L301-L337 HydrophobicContact CB-CD2 4.37Å; L301-L337 PolarHBondContact N-O 3.29Å; L301-L337 WeakPolarHBondContact O-CD2 2.83Å; L301-P339 HydrophobicContact CD1-CG 3.77Å; L301-V363 HydrophobicContact CD1-CG1 3.99Å; L301-V363 HydrophobicContact CD2-CG1 4.15Å; L301-I375 HydrophobicContact CB-CG2 4.29Å; L301-I375 HydrophobicContact CD1-CD1 4.43Å; L301-I375 HydrophobicContact CD2-CG2 4.19Å; L301-L409 HydrophobicContact CD2-CD1 3.36Å
302A72.9Confident80.4Confident25 Ų2532.4 Ų32.421%0.20720%0.196CC..  trans-67.3133.317300000110.2R275 M304 S310 I375R275-A302 HydrophobicContact CB-CB 3.95Å; R275-A302 HydrophobicContact CG-CB 4.11Å; R275-A302 PolarHBondContact O-N 2.75Å; R275-A302 VanDerWaalsContact O-N 3.1Å; A302-M304 HydrophobicContact CB-CE 3.36Å; A302-M304 PolarHBondContact O-N 2.93Å; A302-S310 PolarHBondContact O-OG 2.91Å; A302-I375 HydrophobicContact CB-CG2 4.33Å
303A77.1Confident80.4Confident45 Ų4531.9 Ų31.937%0.37219%0.192SC..  trans-75.5114.2176.500000110.5L301 S310 L337L301-A303 PolarHBondContact O-N 2.79Å; A303-S310 WeakPolarHBondContact CA-OG 3.39Å; A303-L337 HydrophobicContact CB-CD1 4.22Å; A303-L337 HydrophobicContact CB-CD2 4.05Å
304M80.8Confident80.4Confident54 Ų5431.9 Ų31.927%0.26619%0.192SC..  trans-95.2-27.1177.7-49.3-73.894.900111.7A302 Y309 S310 D365 D373 I375A302-M304 HydrophobicContact CB-CE 3.36Å; A302-M304 PolarHBondContact O-N 2.93Å; M304-Y309 PolarHBondContact N-O 2.9Å; M304-S310 PolarHBondContact N-OG 2.78Å; M304-D365 HydrophobicContact CB-CB 4.09Å; M304-D365 WeakPolarHBondContact CB-OD2 3.43Å; M304-D365 HydrophobicContact CG-CB 4.06Å; M304-D373 HydrophobicContact CB-CB 3.93Å; M304-D373 HydrophobicContact CG-CB 3.98Å; M304-I375 HydrophobicContact CG-CG1 3.8Å
305D69Low80.3Confident32 Ų3235.1 Ų35.117%0.17121%0.206CC..SBendtrans-73.9147.6176.5-76.4-40.1000113.7N307 G308 Y309D305-N307 HydrophobicContact CB-CB 4.37Å; D305-N307 VanDerWaalsContact CB-CG 3.4Å; D305-N307 VanDerWaalsContact CB-ND2 3.31Å; D305-N307 WeakPolarHBondContact CB-ND2 3.18Å; D305-N307 WeakPolarHBondContact CB-OD1 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 PolarHBondContact OD2-ND2 2.9Å; D305-G308 PolarHBondContact O-N 2.88Å; D305-Y309 VanDerWaalsContact CB-O 3.28Å; D305-Y309 WeakPolarHBondContact CB-O 3.45Å; D305-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact N-O 3.12Å
306A57.5Low80.2Confident119 Ų11935.1 Ų35.198%0.98321%0.206SC*.THydrogen-bonded Turntrans-59-14.9168.400000114G308A306-G308 PolarHBondContact O-N 3.47Å
307N60.6Low80.2Confident67 Ų6735 Ų3536%0.35821%0.205SC..THydrogen-bonded Turntrans-79.2-8176.169.941.2000113K227 D305 Y309K227-N307 PolarHBondContact NZ-O 3.25Å; D305-N307 HydrophobicContact CB-CB 4.37Å; D305-N307 VanDerWaalsContact CB-CG 3.4Å; D305-N307 VanDerWaalsContact CB-ND2 3.31Å; D305-N307 WeakPolarHBondContact CB-ND2 3.18Å; D305-N307 WeakPolarHBondContact CB-OD1 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 PolarHBondContact OD2-ND2 2.9Å; N307-Y309 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y309 VanDerWaalsContact OD1-CB 3.27Å; N307-Y309 WeakPolarHBondContact OD1-CB 3.26Å; N307-Y309 PolarHBondContact OD1-N 3.12Å
308G62.7Low80.3Confident37 Ų3730.7 Ų30.738%0.38119%0.189SC..SBendtrans77.924.4-178.600000114.1D305 A306D305-G308 PolarHBondContact O-N 2.88Å; A306-G308 PolarHBondContact O-N 3.47Å
309Y72.1Confident80.3Confident65 Ų6533.5 Ų33.526%0.25520%0.202SC..  trans-133.4-172.1172.2-62.6-78.9000109K227 M304 D305 N307 R335 L337K227-Y309 HydrophobicContact CD-CE2 4.29Å; M304-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact CB-O 3.28Å; D305-Y309 WeakPolarHBondContact CB-O 3.45Å; D305-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact N-O 3.12Å; N307-Y309 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y309 VanDerWaalsContact OD1-CB 3.27Å; N307-Y309 WeakPolarHBondContact OD1-CB 3.26Å; N307-Y309 PolarHBondContact OD1-N 3.12Å; Y309-R335 HydrophobicContact CD2-CG 3.58Å; Y309-R335 HydrophobicContact CE2-CG 4.2Å; Y309-R335 HydrophobicContact CG-CG 3.77Å; Y309-L337 HydrophobicContact CD1-CG 4.28Å
310S78.6Confident80.7Confident0 Ų036.8 Ų36.80%022%0.223CC..  trans-137.5162.3167.7-50.80000108.4A302 A303 M304 P312 R335 T336 D365A302-S310 PolarHBondContact O-OG 2.91Å; A303-S310 WeakPolarHBondContact CA-OG 3.39Å; M304-S310 PolarHBondContact N-OG 2.78Å; S310-P312 WeakPolarHBondContact O-CD 3.26Å; S310-R335 CarbonylContact O-C 3.4Å; S310-R335 VanDerWaalsContact O-CA 3.3Å; S310-R335 WeakPolarHBondContact O-CA 3.45Å; S310-R335 PolarHBondContact O-N 2.97Å; S310-R335 VanDerWaalsContact O-N 3.13Å; S310-T336 PolarHBondContact O-N 2.8Å; S310-T336 VanDerWaalsContact O-O 3.14Å; S310-D365 VanDerWaalsContact CA-OD2 3.26Å; S310-D365 WeakPolarHBondContact CA-OD2 3.34Å; S310-D365 WeakPolarHBondContact CB-OD2 3.23Å; S310-D365 PolarHBondContact OG-OD2 3.35Å
311D85.4Confident80.5Confident20 Ų2038.7 Ų38.711%0.10724%0.235CC..  trans-10266.8166.4-71.8-13.1000110.1I332 K333 K334 R335 D365 Y366D311-I332 HydrophobicContact CB-CG2 4.04Å; D311-K333 CarbonylContact C-O 3.58Å; D311-K333 VanDerWaalsContact CA-O 3.28Å; D311-K333 WeakPolarHBondContact CA-O 3.41Å; D311-K334 WeakPolarHBondContact OD1-CA 3.45Å; D311-K334 WeakPolarHBondContact OD1-CB 3.41Å; D311-R335 PolarHBondContact OD1-N 3.25Å; D311-D365 WeakPolarHBondContact CA-OD1 3.08Å; D311-D365 WeakPolarHBondContact CB-OD1 3.35Å; D311-D365 PolarHBondContact N-OD1 3.18Å; D311-Y366 PolarHBondContact O-N 3.16Å; D311-Y366 VanDerWaalsContact O-N 3.09Å
312P91.5Very high80.1Confident0 Ų042.3 Ų42.30%025%0.253CS..EExtended strand (participates in β ladder)trans-66.9142.2-168.327.4-39.7000114.7L301 S310 K333 T336 P339 F341 V363 W364 I375L301-P312 HydrophobicContact CD1-CB 3.45Å; L301-P312 VanDerWaalsContact CD1-CB 3.45Å; L301-P312 HydrophobicContact CD1-CG 3.81Å; S310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-K333 WeakPolarHBondContact CD-O 3.34Å; P312-K333 HydrophobicContact CG-CB 4.49Å; P312-K333 PolarHBondContact O-N 3.22Å; P312-T336 VanDerWaalsContact CD-O 3.23Å; P312-T336 WeakPolarHBondContact CD-O 3.38Å; P312-T336 HydrophobicContact CG-CG2 4.01Å; P312-T336 WeakPolarHBondContact CG-O 3.47Å; P312-P339 HydrophobicContact CB-CG 4.03Å; P312-P339 HydrophobicContact CG-CB 3.72Å; P312-P339 HydrophobicContact CG-CG 3.48Å; P312-P339 VanDerWaalsContact CG-CG 3.48Å; P312-F341 HydrophobicContact CB-CZ 4.4Å; P312-V363 HydrophobicContact CB-CG1 4.3Å; P312-W364 CarbonylContact C-O 3.55Å; P312-W364 VanDerWaalsContact CA-O 3.25Å; P312-W364 WeakPolarHBondContact CA-O 3.25Å; P312-I375 HydrophobicContact CB-CD1 4.3Å
313Y95.6Very high80Confident11 Ų1142.7 Ų42.74%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-140.6152162.872.4-77.5000110.8K315 I332 W364 N372Y313-K315 HydrophobicContact CD2-CG 4.21Å; Y313-K315 HydrophobicContact CE2-CD 4.14Å; Y313-K315 HydrophobicContact CE2-CG 3.71Å; Y313-K315 WeakPolarHBondContact OH-CE 3.33Å; Y313-K315 PolarHBondContact OH-NZ 3.04Å; Y313-I332 HydrophobicContact CD1-CG1 4.13Å; Y313-I332 HydrophobicContact CG-CG1 4.06Å; Y313-W364 HydrophobicContact CD1-CB 3.84Å; Y313-W364 WeakPolarHBondContact CD1-O 3.34Å; Y313-W364 HydrophobicContact CE1-CB 3.21Å; Y313-W364 HydrophobicContact CE1-CG 4.2Å; Y313-W364 HydrophobicContact CE2-CB 4.06Å; Y313-W364 HydrophobicContact CE2-CG 4.33Å; Y313-W364 HydrophobicContact CG-CB 4.46Å; Y313-W364 AromaticContact CZ-CG 3.8Å; Y313-W364 PolarHBondContact N-O 2.78Å; Y313-W364 PolarHBondContact O-N 2.86Å; Y313-W364 WeakPolarHBondContact OH-CB 3.45Å; Y313-N372 HydrophobicContact CE1-CB 4.42Å; Y313-N372 PolarHBondContact OH-ND2 2.9Å
314V96.1Very high79.5Confident0 Ų050.4 Ų50.40%029%0.285CS..EExtended strand (participates in β ladder)trans-108.2131.4-177.1-172.80000109.5I278 V295 I316 K329 T330 F341 I361 S362 V363I278-V314 HydrophobicContact CD1-CG1 3.9Å; I278-V314 HydrophobicContact CD1-CG2 3.93Å; V295-V314 HydrophobicContact CG1-CB 4.23Å; V295-V314 HydrophobicContact CG1-CG1 4.48Å; V295-V314 HydrophobicContact CG1-CG2 3.87Å; V295-V314 HydrophobicContact CG2-CG1 4.27Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; V314-K329 CarbonylContact O-C 3.48Å; V314-K329 WeakPolarHBondContact O-CA 3.36Å; V314-T330 HydrophobicContact CB-CG2 3.89Å; V314-T330 HydrophobicContact CG2-CG2 4.46Å; V314-T330 PolarHBondContact N-OG1 2.95Å; V314-T330 PolarHBondContact O-N 2.75Å; V314-F341 HydrophobicContact CG2-CD2 4.24Å; V314-F341 HydrophobicContact CG2-CE2 3.67Å; V314-F341 HydrophobicContact CG2-CZ 3.88Å; V314-I361 HydrophobicContact CG1-CG2 3.83Å; V314-S362 CarbonylContact C-O 3.57Å; V314-S362 WeakPolarHBondContact CA-O 3.21Å; V314-V363 HydrophobicContact CG1-CG2 4.49Å; V314-V363 HydrophobicContact CG2-CG1 4.46Å; V314-V363 HydrophobicContact CG2-CG2 4.1Å
315K94.6Very high79.1Confident71 Ų7155.9 Ų55.931%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-104.5133167.3-58.8179.9-168.7162.70109.2Y313 C328 K329 S362Y313-K315 HydrophobicContact CD2-CG 4.21Å; Y313-K315 HydrophobicContact CE2-CD 4.14Å; Y313-K315 HydrophobicContact CE2-CG 3.71Å; Y313-K315 WeakPolarHBondContact OH-CE 3.33Å; Y313-K315 PolarHBondContact OH-NZ 3.04Å; K315-C328 CarbonylContact C-O 3.53Å; K315-C328 WeakPolarHBondContact CA-O 3.44Å; K315-K329 HydrophobicContact CG-CB 4.36Å; K315-S362 PolarHBondContact N-O 3.46Å; K315-S362 PolarHBondContact O-N 2.91Å; K315-S362 PolarHBondContact O-OG 2.77Å
316I94.4Very high79.6Confident1 Ų154.3 Ų54.31%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-118.5130.4178.6-53.5173.9000108V293 V295 V314 K327 C328 F345 F347 L359 D360V293-I316 HydrophobicContact CG1-CD1 3.94Å; V293-I316 HydrophobicContact CG1-CG2 4.37Å; V295-I316 HydrophobicContact CG2-CD1 3.36Å; V295-I316 HydrophobicContact CG2-CG1 4.19Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; I316-K327 CarbonylContact O-C 3.58Å; I316-K327 WeakPolarHBondContact O-CA 3.48Å; I316-C328 PolarHBondContact N-O 3.5Å; I316-C328 PolarHBondContact O-N 3.1Å; I316-F345 HydrophobicContact CD1-CD2 3.34Å; I316-F345 HydrophobicContact CD1-CE2 3.69Å; I316-F345 HydrophobicContact CD1-CG 4.23Å; I316-F347 HydrophobicContact CG2-CE2 4.18Å; I316-F347 HydrophobicContact CG2-CZ 4.03Å; I316-L359 HydrophobicContact CG2-CD1 3.38Å; I316-L359 HydrophobicContact CG2-CG 4.11Å; I316-D360 CarbonylContact C-O 3.53Å; I316-D360 WeakPolarHBondContact CA-O 3.35Å
317C92.1Very high81.1Confident19 Ų1954.9 Ų54.913%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-133124.2179.6-173.60000110.4G326 K327 D360C317-G326 CarbonylContact C-O 3.55Å; C317-G326 VanDerWaalsContact CA-O 3.3Å; C317-G326 WeakPolarHBondContact CA-O 3.39Å; C317-K327 HydrophobicContact CB-CG 4.31Å; C317-D360 HydrophobicContact CB-CB 4.18Å; C317-D360 PolarHBondContact N-O 2.85Å; C317-D360 PolarHBondContact O-N 3.28Å
318L91.3Very high82.6Confident0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-93.4112.1173.6-166.968000110L291 G326 F347 I349 K357 L359 W392L291-L318 HydrophobicContact CD2-CD1 4.41Å; L318-G326 PolarHBondContact N-O 2.85Å; L318-F347 HydrophobicContact CB-CD1 4.3Å; L318-F347 HydrophobicContact CB-CE1 4.36Å; L318-F347 HydrophobicContact CD2-CB 3.99Å; L318-F347 HydrophobicContact CD2-CD1 4.38Å; L318-F347 HydrophobicContact CD2-CG 4.11Å; L318-I349 HydrophobicContact CD2-CD1 4.24Å; L318-K357 HydrophobicContact CD1-CB 3.87Å; L318-K357 HydrophobicContact CD1-CG 4.4Å; L318-K357 HydrophobicContact CD2-CG 4.33Å; L318-K357 HydrophobicContact CG-CB 4.22Å; L318-K357 HydrophobicContact CG-CG 4.26Å; L318-L359 HydrophobicContact CD1-CB 4.33Å; L318-L359 HydrophobicContact CD1-CD1 4.05Å; L318-W392 HydrophobicContact CD1-CH2 4.22Å
319K88.1Confident84.1Confident61 Ų6158.7 Ų58.727%0.26529%0.286SS..EExtended strand (participates in β ladder)trans-103.3151.8179.8-67.9177.6173.81720111.1K357 T358 D360 H414K319-K357 CarbonylContact O-C 3.58Å; K319-K357 VanDerWaalsContact O-CA 3.22Å; K319-K357 WeakPolarHBondContact O-CA 3.23Å; K319-K357 WeakPolarHBondContact O-CD 3.49Å; K319-T358 PolarHBondContact N-O 3.41Å; K319-T358 PolarHBondContact O-N 3.28Å; K319-D360 HydrophobicContact CD-CB 4.47Å; K319-D360 WeakPolarHBondContact CE-OD2 3.01Å; K319-D360 IonicContact NZ-OD2 2.78Å; K319-D360 PolarHBondContact NZ-OD2 3.18Å; K319-H414 PolarHBondContact NZ-O 3.2Å
320P83.4Confident85.3Confident83 Ų8356 Ų5654%0.53928%0.276SS..THydrogen-bonded Turncis-61.6146-11.323.3-33.6000112.3M322 K356 K357P320-M322 PolarHBondContact O-N 2.85Å; P320-K356 WeakPolarHBondContact CD-O 3.41Å; P320-K357 HydrophobicContact CG-CD 4.32Å; P320-K357 PolarHBondContact O-NZ 3.35Å
321D68.6Low86Confident99 Ų9962.3 Ų62.353%0.52931%0.305SS..THydrogen-bonded Turntrans-48.3129.4-163.7-166.46.4000113.1G323D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 WeakPolarHBondContact OD1-CA 3.38Å; D321-G323 PolarHBondContact OD1-N 2.96Å
322M70.2Confident86.4Confident79 Ų7964.6 Ų64.639%0.38932%0.317SS..  trans-95.817.5172.7-64.4-72.8-76.300111.2P320 K357P320-M322 PolarHBondContact O-N 2.85Å; M322-K357 PolarHBondContact SD-NZ 2.93Å
323G69.4Low86.2Confident33 Ų3367.6 Ų67.634%0.3433%0.33SS..G310 helixtrans71.2-154.2-171.200000111.9D321 K325 G326D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 WeakPolarHBondContact OD1-CA 3.38Å; D321-G323 PolarHBondContact OD1-N 2.96Å; G323-K325 PolarHBondContact O-N 2.86Å; G323-G326 PolarHBondContact O-N 2.8Å
324K67.3Low85.6Confident208 Ų20874 Ų7490%0.90436%0.358SS*.G310 helixtrans-56.1-22.8-177-66.4-176.4-179.2178.50114.5
325K73.1Confident84.7Confident168 Ų16880.6 Ų80.673%0.7338%0.383SS*.G310 helixtrans-82.8-9.6178.9-66.4-172.8177-175.60113.9G323G323-K325 PolarHBondContact O-N 2.86Å
326G78.7Confident83.4Confident0 Ų078.9 Ų78.90%038%0.379CS..G310 helixtrans-85.9-6.9179.200000114.5C317 L318 G323C317-G326 CarbonylContact C-O 3.55Å; C317-G326 VanDerWaalsContact CA-O 3.3Å; C317-G326 WeakPolarHBondContact CA-O 3.39Å; L318-G326 PolarHBondContact N-O 2.85Å; G323-G326 PolarHBondContact O-N 2.8Å
327K89.7Confident82.5Confident130 Ų13080.1 Ų80.157%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-121.1123.5-174.3-64.3176.3-173175.30110.6I316 C317I316-K327 CarbonylContact O-C 3.58Å; I316-K327 WeakPolarHBondContact O-CA 3.48Å; C317-K327 HydrophobicContact CB-CG 4.31Å
328C92.5Very high81.9Confident34 Ų3482.3 Ų82.323%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-126.6156.4176.7-60.90000110.4K315 I316 F345 F347K315-C328 CarbonylContact C-O 3.53Å; K315-C328 WeakPolarHBondContact CA-O 3.44Å; I316-C328 PolarHBondContact N-O 3.5Å; I316-C328 PolarHBondContact O-N 3.1Å; C328-F345 HydrophobicContact CB-CB 4.24Å; C328-F345 HydrophobicContact CB-CD1 3.4Å; C328-F345 VanDerWaalsContact CB-CD1 3.4Å; C328-F345 HydrophobicContact CB-CD2 4.47Å; C328-F345 HydrophobicContact CB-CE1 3.8Å; C328-F345 HydrophobicContact CB-CG 3.77Å; C328-F345 HydrophobicContact CB-CZ 4.48Å; C328-F347 HydrophobicContact CB-CZ 4.48Å
329K94.1Very high81.7Confident151 Ų15182.4 Ų82.466%0.65740%0.396SS*.EExtended strand (participates in β ladder)trans-139.5145.5173.365179-178.1176.70110.6V314 K315V314-K329 CarbonylContact O-C 3.48Å; V314-K329 WeakPolarHBondContact O-CA 3.36Å; K315-K329 HydrophobicContact CG-CB 4.36Å
330T95.7Very high81.8Confident9 Ų985.2 Ų85.26%0.05541%0.41CS..  trans-78174.1174.765.30000111.8V295 V314 F341 E343 F345V295-T330 HydrophobicContact CB-CG2 4.05Å; V295-T330 HydrophobicContact CG1-CG2 4.11Å; V295-T330 HydrophobicContact CG2-CG2 4.09Å; V314-T330 HydrophobicContact CB-CG2 3.89Å; V314-T330 HydrophobicContact CG2-CG2 4.46Å; V314-T330 PolarHBondContact N-OG1 2.95Å; V314-T330 PolarHBondContact O-N 2.75Å; T330-F341 HydrophobicContact CG2-CB 4.45Å; T330-F341 HydrophobicContact CG2-CD1 4.11Å; T330-F341 HydrophobicContact CG2-CG 4.27Å; T330-F341 WeakPolarHBondContact OG1-CD1 3.31Å; T330-F341 WeakPolarHBondContact OG1-CE1 3.3Å; T330-E343 VanDerWaalsContact CA-OE2 3.26Å; T330-E343 WeakPolarHBondContact CA-OE2 3.43Å; T330-E343 HydrophobicContact CG2-CB 4.42Å; T330-F345 HydrophobicContact CG2-CE2 3.78Å; T330-F345 HydrophobicContact CG2-CZ 3.82Å
331Q93.8Very high82.2Confident131 Ų13181.7 Ų81.761%0.61239%0.386SS*.  trans-65155.3162.8-60.5178.933.500111F341 E343Q331-F341 VanDerWaalsContact O-CE1 3.26Å; Q331-F341 WeakPolarHBondContact O-CE1 3.46Å; Q331-E343 WeakPolarHBondContact CB-OE1 3.4Å; Q331-E343 WeakPolarHBondContact CG-OE1 3.49Å; Q331-E343 PolarHBondContact N-OE1 2.94Å; Q331-E343 PolarHBondContact N-OE2 2.8Å
332I93.4Very high83.4Confident68 Ų6882.2 Ų82.235%0.34939%0.389SS..  trans-85.2125.6174.9-64.1155.7000108.5D311 Y313 Y366D311-I332 HydrophobicContact CB-CG2 4.04Å; Y313-I332 HydrophobicContact CD1-CG1 4.13Å; Y313-I332 HydrophobicContact CG-CG1 4.06Å; I332-Y366 HydrophobicContact CD1-CD1 3.91Å; I332-Y366 HydrophobicContact CD1-CD2 3.69Å; I332-Y366 HydrophobicContact CD1-CE1 4.35Å; I332-Y366 HydrophobicContact CD1-CE2 4.17Å; I332-Y366 HydrophobicContact CD1-CG 3.54Å; I332-Y366 HydrophobicContact CG1-CG 4.25Å; I332-Y366 HydrophobicContact CG2-CD1 4.24Å; I332-Y366 HydrophobicContact CG2-CG 4.25Å
333K87.2Confident84.6Confident63 Ų6379.9 Ų79.927%0.27438%0.377SS..  trans-102.9115.9175.7-61.2-70.1172.8153.60108.2D311 P312 T336 P339 E340 F341D311-K333 CarbonylContact C-O 3.58Å; D311-K333 VanDerWaalsContact CA-O 3.28Å; D311-K333 WeakPolarHBondContact CA-O 3.41Å; P312-K333 WeakPolarHBondContact CD-O 3.34Å; P312-K333 HydrophobicContact CG-CB 4.49Å; P312-K333 PolarHBondContact O-N 3.22Å; K333-T336 HydrophobicContact CB-CG2 3.85Å; K333-P339 HydrophobicContact CB-CB 3.8Å; K333-P339 HydrophobicContact CG-CB 3.91Å; K333-E340 WeakPolarHBondContact CE-O 3.28Å; K333-E340 PolarHBondContact NZ-O 2.83Å; K333-F341 HydrophobicContact CB-CE1 4.41Å; K333-F341 HydrophobicContact CG-CD1 3.88Å; K333-F341 HydrophobicContact CG-CE1 3.58Å; K333-F341 HydrophobicContact CG-CZ 4.27Å
334K83.3Confident85.8Confident145 Ų14583.4 Ų83.463%0.6339%0.385SS*.  trans-80.4142-172.2-61.8-174178.6-1740112.9D311 T336D311-K334 WeakPolarHBondContact OD1-CA 3.45Å; D311-K334 WeakPolarHBondContact OD1-CB 3.41Å; K334-T336 PolarHBondContact O-N 2.74Å
335R76.8Confident87.1Confident139 Ų13974.9 Ų74.953%0.52535%0.348SS..SBendtrans5352.1166.6-164.5-175.4172.21681112.6Y309 S310 D311Y309-R335 HydrophobicContact CD2-CG 3.58Å; Y309-R335 HydrophobicContact CE2-CG 4.2Å; Y309-R335 HydrophobicContact CG-CG 3.77Å; S310-R335 CarbonylContact O-C 3.4Å; S310-R335 VanDerWaalsContact O-CA 3.3Å; S310-R335 WeakPolarHBondContact O-CA 3.45Å; S310-R335 PolarHBondContact O-N 2.97Å; S310-R335 VanDerWaalsContact O-N 3.13Å; D311-R335 PolarHBondContact OD1-N 3.25Å
336T69Low88.1Confident36 Ų3670.2 Ų70.222%0.22134%0.336CS..  trans-146.9141.1-179.9-176.60000111.7S310 P312 K333 K334 N338 P339S310-T336 PolarHBondContact O-N 2.8Å; S310-T336 VanDerWaalsContact O-O 3.14Å; P312-T336 VanDerWaalsContact CD-O 3.23Å; P312-T336 WeakPolarHBondContact CD-O 3.38Å; P312-T336 HydrophobicContact CG-CG2 4.01Å; P312-T336 WeakPolarHBondContact CG-O 3.47Å; K333-T336 HydrophobicContact CB-CG2 3.85Å; K334-T336 PolarHBondContact O-N 2.74Å; T336-N338 PolarHBondContact OG1-N 3.41Å; T336-N338 VanDerWaalsContact OG1-N 3.12Å; T336-N338 PolarHBondContact OG1-O 3.08Å; T336-P339 HydrophobicContact CG2-CB 3.83Å
337L74.3Confident88.7Confident27 Ų2770.5 Ų70.514%0.14134%0.338CS..SBendtrans-100.3-2.6170.4-56.6-179.3000112.3H300 L301 A303 Y309 P339H300-L337 PolarHBondContact N-O 2.77Å; L301-L337 HydrophobicContact CB-CB 4.38Å; L301-L337 HydrophobicContact CB-CD2 4.37Å; L301-L337 PolarHBondContact N-O 3.29Å; L301-L337 WeakPolarHBondContact O-CD2 2.83Å; A303-L337 HydrophobicContact CB-CD1 4.22Å; A303-L337 HydrophobicContact CB-CD2 4.05Å; Y309-L337 HydrophobicContact CD1-CG 4.28Å; L337-P339 VanDerWaalsContact C-CD 3.42Å
338N80.3Confident88.8Confident64 Ų6468.2 Ų68.234%0.34233%0.332SS..SBendtrans-130.661.2178.8-53.9-76.6000109.8C298 V299 H300 T336C298-N338 CarbonylContact O-C 3.51Å; C298-N338 VanDerWaalsContact O-CA 3.23Å; C298-N338 WeakPolarHBondContact O-CA 3.15Å; V299-N338 VanDerWaalsContact CA-OD1 3.27Å; V299-N338 WeakPolarHBondContact CA-OD1 3.38Å; H300-N338 PolarHBondContact N-OD1 3.04Å; T336-N338 PolarHBondContact OG1-N 3.41Å; T336-N338 VanDerWaalsContact OG1-N 3.12Å; T336-N338 PolarHBondContact OG1-O 3.08Å
339P86.4Confident88.7Confident2 Ų266.9 Ų66.91%0.01332%0.322CS..  trans-68.4137.3-17930.5-38.4000111.8R297 C298 L301 P312 K333 T336 L337 F341R297-P339 CarbonylContact C-O 3.55Å; R297-P339 WeakPolarHBondContact CA-O 3.49Å; R297-P339 WeakPolarHBondContact CB-O 3.07Å; C298-P339 HydrophobicContact CB-CG 3.75Å; C298-P339 PolarHBondContact N-O 3.1Å; L301-P339 HydrophobicContact CD1-CG 3.77Å; P312-P339 HydrophobicContact CB-CG 4.03Å; P312-P339 HydrophobicContact CG-CB 3.72Å; P312-P339 HydrophobicContact CG-CG 3.48Å; P312-P339 VanDerWaalsContact CG-CG 3.48Å; K333-P339 HydrophobicContact CB-CB 3.8Å; K333-P339 HydrophobicContact CG-CB 3.91Å; T336-P339 HydrophobicContact CG2-CB 3.83Å; L337-P339 VanDerWaalsContact C-CD 3.42Å; P339-F341 HydrophobicContact CB-CD2 4.33Å; P339-F341 HydrophobicContact CB-CE1 4.29Å; P339-F341 HydrophobicContact CB-CE2 3.65Å; P339-F341 HydrophobicContact CB-CZ 3.62Å; P339-F341 HydrophobicContact CG-CD2 4.41Å; P339-F341 HydrophobicContact CG-CE2 3.47Å; P339-F341 VanDerWaalsContact CG-CE2 3.47Å; P339-F341 HydrophobicContact CG-CZ 3.68Å
340E90.7Very high88.5Confident121 Ų12165.8 Ų65.857%0.56532%0.317SS*.EExtended strand (participates in β ladder)trans-103118.4165.1-64.7-177.3179.300108.9R297 K333R297-E340 HydrophobicContact CB-CB 4.47Å; R297-E340 HydrophobicContact CB-CG 4.02Å; K333-E340 WeakPolarHBondContact CE-O 3.28Å; K333-E340 PolarHBondContact NZ-O 2.83Å
341F92.8Very high88.1Confident9 Ų968.1 Ų68.14%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-96.7-54.2179.9-61.9-78.7000109.9V295 V296 P312 V314 T330 Q331 K333 P339 E343V295-F341 HydrophobicContact CB-CB 4.42Å; V295-F341 HydrophobicContact CG1-CB 3.99Å; V295-F341 HydrophobicContact CG1-CD2 3.62Å; V295-F341 HydrophobicContact CG1-CE2 4.37Å; V295-F341 HydrophobicContact CG1-CG 3.99Å; V295-F341 WeakPolarHBondContact O-CB 2.99Å; V296-F341 PolarHBondContact O-N 3.12Å; P312-F341 HydrophobicContact CB-CZ 4.4Å; V314-F341 HydrophobicContact CG2-CD2 4.24Å; V314-F341 HydrophobicContact CG2-CE2 3.67Å; V314-F341 HydrophobicContact CG2-CZ 3.88Å; T330-F341 HydrophobicContact CG2-CB 4.45Å; T330-F341 HydrophobicContact CG2-CD1 4.11Å; T330-F341 HydrophobicContact CG2-CG 4.27Å; T330-F341 WeakPolarHBondContact OG1-CD1 3.31Å; T330-F341 WeakPolarHBondContact OG1-CE1 3.3Å; Q331-F341 VanDerWaalsContact O-CE1 3.26Å; Q331-F341 WeakPolarHBondContact O-CE1 3.46Å; K333-F341 HydrophobicContact CB-CE1 4.41Å; K333-F341 HydrophobicContact CG-CD1 3.88Å; K333-F341 HydrophobicContact CG-CE1 3.58Å; K333-F341 HydrophobicContact CG-CZ 4.27Å; P339-F341 HydrophobicContact CB-CD2 4.33Å; P339-F341 HydrophobicContact CB-CE1 4.29Å; P339-F341 HydrophobicContact CB-CE2 3.65Å; P339-F341 HydrophobicContact CB-CZ 3.62Å; P339-F341 HydrophobicContact CG-CD2 4.41Å; P339-F341 HydrophobicContact CG-CE2 3.47Å; P339-F341 VanDerWaalsContact CG-CE2 3.47Å; P339-F341 HydrophobicContact CG-CZ 3.68Å; F341-E343 HydrophobicContact CB-CG 4.31Å; F341-E343 PolarHBondContact O-N 3.28Å
342N93.4Very high87.8Confident109 Ų10966 Ų6658%0.58333%0.327SS*.EExtended strand (participates in β ladder)trans50.542.6-172.6-57.4-46.8000111.8V295 V296V295-N342 WeakPolarHBondContact O-CA 3.42Å; V295-N342 PolarHBondContact O-N 3.19Å; V296-N342 PolarHBondContact O-N 3.11Å; V296-N342 PolarHBondContact O-OD1 3.15Å
343E95.1Very high87.6Confident30 Ų3066.5 Ų66.514%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-109.1135.3-177.8-68.1-178.3-131.500110.3G294 V295 T330 Q331 F341 F345G294-E343 CarbonylContact C-O 3.49Å; G294-E343 WeakPolarHBondContact CA-O 3.42Å; V295-E343 PolarHBondContact N-O 3.16Å; V295-E343 PolarHBondContact O-N 3.27Å; T330-E343 VanDerWaalsContact CA-OE2 3.26Å; T330-E343 WeakPolarHBondContact CA-OE2 3.43Å; T330-E343 HydrophobicContact CG2-CB 4.42Å; Q331-E343 WeakPolarHBondContact CB-OE1 3.4Å; Q331-E343 WeakPolarHBondContact CG-OE1 3.49Å; Q331-E343 PolarHBondContact N-OE1 2.94Å; Q331-E343 PolarHBondContact N-OE2 2.8Å; F341-E343 HydrophobicContact CB-CG 4.31Å; F341-E343 PolarHBondContact O-N 3.28Å; E343-F345 HydrophobicContact CB-CE2 4.13Å; E343-F345 HydrophobicContact CB-CZ 4.14Å
344E95.3Very high87.6Confident107 Ų10763.5 Ų63.550%0.532%0.315SS..EExtended strand (participates in β ladder)trans-113.6139.7177.9-63.3-169148.300111.8I292 V293 R402I292-E344 HydrophobicContact CG2-CB 4.27Å; V293-E344 WeakPolarHBondContact O-CA 3.31Å; E344-R402 IonicContact OE1-CZ 3.47Å; E344-R402 IonicContact OE1-NH1 3.26Å; E344-R402 PolarHBondContact OE1-NH1 2.97Å; E344-R402 IonicContact OE1-NH2 2.64Å; E344-R402 PolarHBondContact OE1-NH2 2.96Å
345F94.7Very high87.8Confident29 Ų2958.5 Ų58.513%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-123.7133.5178.1-56.3-78.4000109.7I292 V293 V295 I316 C328 T330 E343 F347I292-F345 CarbonylContact C-O 3.53Å; I292-F345 WeakPolarHBondContact CA-O 3.46Å; V293-F345 PolarHBondContact N-O 2.84Å; V293-F345 PolarHBondContact O-N 2.85Å; V295-F345 HydrophobicContact CG2-CD2 4.44Å; V295-F345 HydrophobicContact CG2-CE2 4.08Å; I316-F345 HydrophobicContact CD1-CD2 3.34Å; I316-F345 HydrophobicContact CD1-CE2 3.69Å; I316-F345 HydrophobicContact CD1-CG 4.23Å; C328-F345 HydrophobicContact CB-CB 4.24Å; C328-F345 HydrophobicContact CB-CD1 3.4Å; C328-F345 VanDerWaalsContact CB-CD1 3.4Å; C328-F345 HydrophobicContact CB-CD2 4.47Å; C328-F345 HydrophobicContact CB-CE1 3.8Å; C328-F345 HydrophobicContact CB-CG 3.77Å; C328-F345 HydrophobicContact CB-CZ 4.48Å; T330-F345 HydrophobicContact CG2-CE2 3.78Å; T330-F345 HydrophobicContact CG2-CZ 3.82Å; E343-F345 HydrophobicContact CB-CE2 4.13Å; E343-F345 HydrophobicContact CB-CZ 4.14Å; F345-F347 HydrophobicContact CB-CE2 4.3Å
346S92.8Very high88.4Confident70 Ų7059.8 Ų59.849%0.4931%0.31SS..EExtended strand (participates in β ladder)trans-109.9129.117963.60000111.4L291L291-S346 CarbonylContact O-C 3.55Å; L291-S346 WeakPolarHBondContact O-CA 3.28Å
347F92.2Very high89.4Confident7 Ų759 Ų593%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-109.9123.9173.5-60-81.2000110.2R290 L291 V293 I316 L318 C328 F345 I349 L359R290-F347 CarbonylContact C-O 3.44Å; R290-F347 VanDerWaalsContact CA-O 3.24Å; R290-F347 WeakPolarHBondContact CA-O 3.22Å; L291-F347 HydrophobicContact CB-CB 4.43Å; L291-F347 PolarHBondContact N-O 3.17Å; L291-F347 PolarHBondContact O-N 3.37Å; V293-F347 HydrophobicContact CB-CE2 4.24Å; V293-F347 HydrophobicContact CG2-CD2 3.92Å; V293-F347 HydrophobicContact CG2-CE2 3.81Å; I316-F347 HydrophobicContact CG2-CE2 4.18Å; I316-F347 HydrophobicContact CG2-CZ 4.03Å; L318-F347 HydrophobicContact CB-CD1 4.3Å; L318-F347 HydrophobicContact CB-CE1 4.36Å; L318-F347 HydrophobicContact CD2-CB 3.99Å; L318-F347 HydrophobicContact CD2-CD1 4.38Å; L318-F347 HydrophobicContact CD2-CG 4.11Å; C328-F347 HydrophobicContact CB-CZ 4.48Å; F345-F347 HydrophobicContact CB-CE2 4.3Å; F347-I349 PolarHBondContact O-N 2.94Å; F347-I349 VanDerWaalsContact O-N 3.11Å; F347-L359 HydrophobicContact CE2-CD1 4.37Å
348D91.1Very high90.3Very high82 Ų8258.8 Ų58.844%0.43930%0.304SS..EExtended strand (participates in β ladder)trans-68.6100.6172.7-73.7-49.6000109.8R290R290-D348 WeakPolarHBondContact CD-OD1 3.4Å; R290-D348 VanDerWaalsContact CG-OD1 3.32Å; R290-D348 WeakPolarHBondContact CG-OD1 3.08Å; R290-D348 IonicContact CZ-OD1 3.6Å; R290-D348 IonicContact NE-OD1 3.12Å; R290-D348 PolarHBondContact NE-OD1 2.78Å; R290-D348 IonicContact NH2-OD1 3.84Å; R290-D348 PolarHBondContact NH2-OD1 2.85Å; R290-D348 IonicContact NH2-OD2 2.68Å
349I89.9Confident90.9Very high5 Ų555.8 Ų55.83%0.02629%0.287CS..  trans-150.6137.9-179.7-171.5166.3000112Y284 N289 L291 L318 F347 E353 L354 K357Y284-I349 HydrophobicContact CE2-CG2 4.42Å; Y284-I349 VanDerWaalsContact CE2-O 3.25Å; Y284-I349 WeakPolarHBondContact CE2-O 3.3Å; Y284-I349 PolarHBondContact OH-O 3.42Å; N289-I349 CarbonylContact C-O 3.39Å; N289-I349 PolarHBondContact O-N 3.15Å; L291-I349 HydrophobicContact CB-CG2 3.83Å; L318-I349 HydrophobicContact CD2-CD1 4.24Å; F347-I349 PolarHBondContact O-N 2.94Å; F347-I349 VanDerWaalsContact O-N 3.11Å; I349-E353 HydrophobicContact CD1-CB 3.97Å; I349-E353 HydrophobicContact CG1-CB 3.85Å; I349-L354 HydrophobicContact CD1-CD2 4.35Å; I349-L354 HydrophobicContact CD1-CG 4.48Å; I349-L354 HydrophobicContact CG2-CD2 3.93Å; I349-L354 HydrophobicContact CG2-CG 4.18Å; I349-K357 HydrophobicContact CD1-CB 4.33Å; I349-K357 HydrophobicContact CD1-CD 4.05Å; I349-K357 HydrophobicContact CD1-CG 3.21Å
350K90.3Very high91.2Very high129 Ų12956 Ų5656%0.56129%0.288SS*.  trans-71.7146174.4-66.5-179.6-179.4175.10111.2S352 E353 L354K350-S352 PolarHBondContact O-N 3.25Å; K350-E353 HydrophobicContact CB-CG 4.32Å; K350-E353 PolarHBondContact O-N 2.81Å; K350-L354 PolarHBondContact O-N 2.82Å
351H88.3Confident91.4Very high57 Ų5750.2 Ų50.226%0.26426%0.261SS..Hα-helixtrans-55.4-40.3179.9-175.4-100.4000112.4Y284 E353 L354 L396 K399Y284-H351 HydrophobicContact CD1-CB 4.32Å; Y284-H351 AromaticContact CD1-CD2 3.65Å; Y284-H351 HydrophobicContact CE1-CB 3.55Å; Y284-H351 AromaticContact CE1-CD2 3.8Å; Y284-H351 PolarHBondContact OH-N 2.94Å; H351-E353 PolarHBondContact O-N 3Å; H351-L354 WeakPolarHBondContact O-CB 3.37Å; H351-L354 PolarHBondContact O-N 2.94Å; H351-L396 PolarHBondContact NE2-O 3.36Å; H351-K399 WeakPolarHBondContact CE1-CE 3.13Å; H351-K399 WeakPolarHBondContact NE2-CE 3.5Å
352S87.8Confident91.4Very high88 Ų8849.9 Ų49.962%0.61526%0.26SS*.Hα-helixtrans-63.6-23.2177.855.20000114.2K350K350-S352 PolarHBondContact O-N 3.25Å
353E88.2Confident91.5Very high77 Ų7744.7 Ų44.736%0.3623%0.232SC..Hα-helixtrans-92.1-20.3-177.9-67.3175-162.200112.5I349 K350 H351 A355 K356 K357I349-E353 HydrophobicContact CD1-CB 3.97Å; I349-E353 HydrophobicContact CG1-CB 3.85Å; K350-E353 HydrophobicContact CB-CG 4.32Å; K350-E353 PolarHBondContact O-N 2.81Å; H351-E353 PolarHBondContact O-N 3Å; E353-A355 PolarHBondContact O-N 3.09Å; E353-K356 PolarHBondContact O-N 2.96Å; E353-K357 PolarHBondContact O-N 3.29Å
354L87Confident91.4Very high0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-56.9-35.9178.4-84170.6000113.1Y284 L291 I349 K350 H351 K356 K357 W392 L396Y284-L354 HydrophobicContact CD2-CD1 3.32Å; Y284-L354 HydrophobicContact CD2-CG 4.42Å; Y284-L354 HydrophobicContact CE2-CD1 3.67Å; Y284-L354 HydrophobicContact CE2-CG 4.47Å; Y284-L354 HydrophobicContact CG-CD1 3.83Å; L291-L354 HydrophobicContact CB-CD2 4.23Å; L291-L354 HydrophobicContact CD1-CD2 4.25Å; L291-L354 HydrophobicContact CD2-CD2 3.88Å; L291-L354 HydrophobicContact CG-CD2 4.34Å; I349-L354 HydrophobicContact CD1-CD2 4.35Å; I349-L354 HydrophobicContact CD1-CG 4.48Å; I349-L354 HydrophobicContact CG2-CD2 3.93Å; I349-L354 HydrophobicContact CG2-CG 4.18Å; K350-L354 PolarHBondContact O-N 2.82Å; H351-L354 WeakPolarHBondContact O-CB 3.37Å; H351-L354 PolarHBondContact O-N 2.94Å; L354-K356 PolarHBondContact O-N 2.88Å; L354-K356 VanDerWaalsContact O-N 3.16Å; L354-K357 PolarHBondContact O-N 3.43Å; L354-W392 HydrophobicContact CD2-CH2 4.04Å; L354-W392 HydrophobicContact CD2-CZ2 4.01Å; L354-L396 HydrophobicContact CB-CD1 4.4Å; L354-L396 HydrophobicContact CB-CD2 4.36Å; L354-L396 HydrophobicContact CB-CG 4.25Å
355A87.9Confident91.1Very high41 Ų4139.9 Ų39.934%0.33921%0.209SC..THydrogen-bonded Turntrans-61.9-22.7177.800000112.7E353 I382 L396E353-A355 PolarHBondContact O-N 3.09Å; A355-I382 WeakPolarHBondContact O-CD1 3.12Å; A355-I382 VanDerWaalsContact O-CG1 3.28Å; A355-I382 WeakPolarHBondContact O-CG1 3.47Å; A355-L396 HydrophobicContact CB-CD2 4.1Å
356K89.1Confident90.8Very high166 Ų16642.4 Ų42.472%0.72222%0.218SC*.THydrogen-bonded Turntrans-97.1-1.1177.9-58179.9-176.91780112.8P320 E353 L354P320-K356 WeakPolarHBondContact CD-O 3.41Å; E353-K356 PolarHBondContact O-N 2.96Å; L354-K356 PolarHBondContact O-N 2.88Å; L354-K356 VanDerWaalsContact O-N 3.16Å
357K90.7Very high90.1Very high20 Ų2040.1 Ų40.19%0.08720%0.2CC..  trans-101.8158.1-179.6-64.3-50.9-166.4173.40111.9L318 K319 P320 M322 I349 E353 L354 W392L318-K357 HydrophobicContact CD1-CB 3.87Å; L318-K357 HydrophobicContact CD1-CG 4.4Å; L318-K357 HydrophobicContact CD2-CG 4.33Å; L318-K357 HydrophobicContact CG-CB 4.22Å; L318-K357 HydrophobicContact CG-CG 4.26Å; K319-K357 CarbonylContact O-C 3.58Å; K319-K357 VanDerWaalsContact O-CA 3.22Å; K319-K357 WeakPolarHBondContact O-CA 3.23Å; K319-K357 WeakPolarHBondContact O-CD 3.49Å; P320-K357 HydrophobicContact CG-CD 4.32Å; P320-K357 PolarHBondContact O-NZ 3.35Å; M322-K357 PolarHBondContact SD-NZ 2.93Å; I349-K357 HydrophobicContact CD1-CB 4.33Å; I349-K357 HydrophobicContact CD1-CD 4.05Å; I349-K357 HydrophobicContact CD1-CG 3.21Å; E353-K357 PolarHBondContact O-N 3.29Å; L354-K357 PolarHBondContact O-N 3.43Å; K357-W392 HydrophobicContact CB-CZ2 4.32Å
358T92.1Very high89.4Confident22 Ų2246.1 Ų46.114%0.13523%0.231CC..EExtended strand (participates in β ladder)trans-136.4124.7178.1-58.60000108.2K319 Q379 L380K319-T358 PolarHBondContact N-O 3.41Å; K319-T358 PolarHBondContact O-N 3.28Å; T358-Q379 HydrophobicContact CG2-CG 3.15Å; T358-L380 CarbonylContact C-O 3.43Å; T358-L380 WeakPolarHBondContact CA-O 3.3Å
359L93.4Very high88.3Confident0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-91.8112.7176.8-172.772.5000109.3L282 V293 I316 L318 F347 I361 Q379 L380 W392L282-L359 HydrophobicContact CD2-CD2 3.79Å; V293-L359 HydrophobicContact CG1-CD2 3.85Å; V293-L359 HydrophobicContact CG2-CD1 4.19Å; V293-L359 HydrophobicContact CG2-CD2 4.01Å; I316-L359 HydrophobicContact CG2-CD1 3.38Å; I316-L359 HydrophobicContact CG2-CG 4.11Å; L318-L359 HydrophobicContact CD1-CB 4.33Å; L318-L359 HydrophobicContact CD1-CD1 4.05Å; F347-L359 HydrophobicContact CE2-CD1 4.37Å; L359-I361 HydrophobicContact CD2-CD1 4.07Å; L359-I361 HydrophobicContact CD2-CG1 4.3Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.18Å; L359-Q379 WeakPolarHBondContact O-CA 3.41Å; L359-L380 HydrophobicContact CB-CB 4.29Å; L359-L380 HydrophobicContact CD2-CD1 4.31Å; L359-L380 PolarHBondContact N-O 3.46Å; L359-L380 PolarHBondContact O-N 3.04Å; L359-W392 HydrophobicContact CB-CE3 4.45Å; L359-W392 HydrophobicContact CB-CH2 4.14Å; L359-W392 HydrophobicContact CB-CZ3 3.68Å; L359-W392 HydrophobicContact CD2-CZ3 4.29Å
360D92.8Very high87.8Confident6 Ų653.6 Ų53.63%0.03228%0.283CS..EExtended strand (participates in β ladder)trans-95.7126.5176.8-142-21.8000109.5I316 C317 K319I316-D360 CarbonylContact C-O 3.53Å; I316-D360 WeakPolarHBondContact CA-O 3.35Å; C317-D360 HydrophobicContact CB-CB 4.18Å; C317-D360 PolarHBondContact N-O 2.85Å; C317-D360 PolarHBondContact O-N 3.28Å; K319-D360 HydrophobicContact CD-CB 4.47Å; K319-D360 WeakPolarHBondContact CE-OD2 3.01Å; K319-D360 IonicContact NZ-OD2 2.78Å; K319-D360 PolarHBondContact NZ-OD2 3.18Å
361I94.4Very high87.2Confident0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-124.2123.5-175.4-59.3157.1000107.3I278 M280 V314 L359 G377 C378 L380I278-I361 HydrophobicContact CD1-CG2 3.92Å; M280-I361 HydrophobicContact CE-CD1 3.78Å; M280-I361 HydrophobicContact CE-CG1 4.27Å; M280-I361 HydrophobicContact CG-CD1 3.91Å; M280-I361 HydrophobicContact SD-CD1 4Å; M280-I361 HydrophobicContact SD-CG2 4.24Å; V314-I361 HydrophobicContact CG1-CG2 3.83Å; L359-I361 HydrophobicContact CD2-CD1 4.07Å; L359-I361 HydrophobicContact CD2-CG1 4.3Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.18Å; I361-G377 CarbonylContact O-C 3.59Å; I361-G377 WeakPolarHBondContact O-CA 3.17Å; I361-C378 WeakPolarHBondContact CB-O 3.4Å; I361-C378 PolarHBondContact N-O 2.87Å; I361-C378 PolarHBondContact O-N 3.41Å; I361-C378 VanDerWaalsContact O-O 3.11Å; I361-L380 HydrophobicContact CD1-CD1 3.83Å; I361-L380 HydrophobicContact CD1-CG 3.97Å
362S93.8Very high87.2Confident2 Ų251.8 Ų51.81%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-133.3135.2178.554.60000111V314 K315 W364 I415V314-S362 CarbonylContact C-O 3.57Å; V314-S362 WeakPolarHBondContact CA-O 3.21Å; K315-S362 PolarHBondContact N-O 3.46Å; K315-S362 PolarHBondContact O-N 2.91Å; K315-S362 PolarHBondContact O-OG 2.77Å; S362-W364 PolarHBondContact OG-NE1 3.09Å; S362-I415 WeakPolarHBondContact OG-CD1 3.26Å
363V94.4Very high87.1Confident0 Ų050.7 Ų50.70%028%0.276CS..EExtended strand (participates in β ladder)trans-107.1133.2178-1700000108.1I278 L301 P312 V314 I375 G376 L409I278-V363 HydrophobicContact CD1-CG2 4.14Å; L301-V363 HydrophobicContact CD1-CG1 3.99Å; L301-V363 HydrophobicContact CD2-CG1 4.15Å; P312-V363 HydrophobicContact CB-CG1 4.3Å; V314-V363 HydrophobicContact CG1-CG2 4.49Å; V314-V363 HydrophobicContact CG2-CG1 4.46Å; V314-V363 HydrophobicContact CG2-CG2 4.1Å; V363-I375 HydrophobicContact CB-CB 4.4Å; V363-I375 HydrophobicContact CG1-CB 4.36Å; V363-I375 HydrophobicContact CG1-CD1 4.21Å; V363-I375 WeakPolarHBondContact O-CB 3.39Å; V363-I375 PolarHBondContact O-N 2.83Å; V363-G376 PolarHBondContact N-O 3.43Å; V363-G376 PolarHBondContact O-N 2.9Å; V363-L409 HydrophobicContact CB-CD1 4.11Å; V363-L409 HydrophobicContact CG2-CD1 3.6Å; V363-L409 HydrophobicContact CG2-CD2 3.74Å; V363-L409 HydrophobicContact CG2-CG 4.34Å
364W93.4Very high87.1Confident37 Ų3748.7 Ų48.714%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-131.6147-172.5-66.579.3000109.7P312 Y313 S362 N372 D373 Y374P312-W364 CarbonylContact C-O 3.55Å; P312-W364 VanDerWaalsContact CA-O 3.25Å; P312-W364 WeakPolarHBondContact CA-O 3.25Å; Y313-W364 HydrophobicContact CD1-CB 3.84Å; Y313-W364 WeakPolarHBondContact CD1-O 3.34Å; Y313-W364 HydrophobicContact CE1-CB 3.21Å; Y313-W364 HydrophobicContact CE1-CG 4.2Å; Y313-W364 HydrophobicContact CE2-CB 4.06Å; Y313-W364 HydrophobicContact CE2-CG 4.33Å; Y313-W364 HydrophobicContact CG-CB 4.46Å; Y313-W364 AromaticContact CZ-CG 3.8Å; Y313-W364 PolarHBondContact N-O 2.78Å; Y313-W364 PolarHBondContact O-N 2.86Å; Y313-W364 WeakPolarHBondContact OH-CB 3.45Å; S362-W364 PolarHBondContact OG-NE1 3.09Å; W364-N372 HydrophobicContact CE3-CB 4.18Å; W364-N372 WeakPolarHBondContact CZ3-O 3.45Å; W364-D373 CarbonylContact C-O 3.57Å; W364-D373 VanDerWaalsContact CA-O 3.31Å; W364-D373 WeakPolarHBondContact CA-O 3.45Å; W364-Y374 HydrophobicContact CD2-CD2 4.18Å; W364-Y374 AromaticContact CE2-CD2 3.79Å; W364-Y374 HydrophobicContact CE3-CD2 4.48Å; W364-Y374 HydrophobicContact CH2-CD2 4.11Å; W364-Y374 AromaticContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CE2 4.44Å; W364-Y374 HydrophobicContact CZ3-CD2 4.45Å
365D88.5Confident87.1Confident0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-86139.2165.6-159.2-9.4000109.6M304 S310 D311 N372 D373 I375M304-D365 HydrophobicContact CB-CB 4.09Å; M304-D365 WeakPolarHBondContact CB-OD2 3.43Å; M304-D365 HydrophobicContact CG-CB 4.06Å; S310-D365 VanDerWaalsContact CA-OD2 3.26Å; S310-D365 WeakPolarHBondContact CA-OD2 3.34Å; S310-D365 WeakPolarHBondContact CB-OD2 3.23Å; S310-D365 PolarHBondContact OG-OD2 3.35Å; D311-D365 WeakPolarHBondContact CA-OD1 3.08Å; D311-D365 WeakPolarHBondContact CB-OD1 3.35Å; D311-D365 PolarHBondContact N-OD1 3.18Å; D365-N372 CarbonylContact O-C 3.6Å; D365-N372 VanDerWaalsContact O-CA 3.29Å; D365-N372 WeakPolarHBondContact O-CA 3.31Å; D365-N372 WeakPolarHBondContact O-CB 3.37Å; D365-D373 HydrophobicContact CB-CB 4.1Å; D365-D373 PolarHBondContact N-O 3.45Å; D365-D373 PolarHBondContact O-N 3.42Å; D365-I375 HydrophobicContact CB-CD1 4.06Å; D365-I375 HydrophobicContact CB-CG1 4.16Å
366Y88.9Confident87.3Confident82 Ų8246.8 Ų46.832%0.32225%0.249SC..  trans-101.3114.3177.8175.1-100000111D311 I332 I368 N372D311-Y366 PolarHBondContact O-N 3.16Å; D311-Y366 VanDerWaalsContact O-N 3.09Å; I332-Y366 HydrophobicContact CD1-CD1 3.91Å; I332-Y366 HydrophobicContact CD1-CD2 3.69Å; I332-Y366 HydrophobicContact CD1-CE1 4.35Å; I332-Y366 HydrophobicContact CD1-CE2 4.17Å; I332-Y366 HydrophobicContact CD1-CG 3.54Å; I332-Y366 HydrophobicContact CG1-CG 4.25Å; I332-Y366 HydrophobicContact CG2-CD1 4.24Å; I332-Y366 HydrophobicContact CG2-CG 4.25Å; Y366-I368 HydrophobicContact CE1-CG1 3.8Å; Y366-N372 WeakPolarHBondContact CD2-OD1 3.39Å
367D78.2Confident87.4Confident22 Ų2239 Ų3912%0.11822%0.216CC..  trans-103128.1179.3-70.6-79.8000112.3G369 K370 N372D367-G369 PolarHBondContact O-N 3.38Å; D367-K370 HydrophobicContact CB-CB 3.91Å; D367-N372 PolarHBondContact N-OD1 2.87Å
368I76.6Confident87.4Confident133 Ų13338.1 Ų38.168%0.68221%0.213SC*.THydrogen-bonded Turntrans-74.6112.5173.5-61173.8000109Y366Y366-I368 HydrophobicContact CE1-CG1 3.8Å
369G69.5Low87.5Confident82 Ų8239.1 Ų39.185%0.84522%0.216SC*.THydrogen-bonded Turntrans82.910.8174.100000114.9D367D367-G369 PolarHBondContact O-N 3.38Å
370K77.6Confident87.4Confident162 Ų16239.1 Ų39.170%0.70422%0.216SC*.SBendtrans-132.5174.5171-62.8-178.1-179.7177.10110.7D367D367-K370 HydrophobicContact CB-CB 3.91Å
371S79.2Confident87.3Confident97 Ų9738.9 Ų38.968%0.67821%0.214SC*.PPolyproline II helixtrans-68.4137.4168.551.50000110.1
372N87.3Confident87.1Confident51 Ų5143.3 Ų43.327%0.27324%0.237SC..PPolyproline II helixtrans-63.4129.5176.6-65.6-10.5000111.6Y313 W364 D365 Y366 D367Y313-N372 HydrophobicContact CE1-CB 4.42Å; Y313-N372 PolarHBondContact OH-ND2 2.9Å; W364-N372 HydrophobicContact CE3-CB 4.18Å; W364-N372 WeakPolarHBondContact CZ3-O 3.45Å; D365-N372 CarbonylContact O-C 3.6Å; D365-N372 VanDerWaalsContact O-CA 3.29Å; D365-N372 WeakPolarHBondContact O-CA 3.31Å; D365-N372 WeakPolarHBondContact O-CB 3.37Å; Y366-N372 WeakPolarHBondContact CD2-OD1 3.39Å; D367-N372 PolarHBondContact N-OD1 2.87Å
373D85.6Confident86.7Confident65 Ų6547.9 Ų47.935%0.34827%0.265SS..PPolyproline II helixtrans-79.4139.8179.2-73-30.4000112.7M304 W364 D365 I375M304-D373 HydrophobicContact CB-CB 3.93Å; M304-D373 HydrophobicContact CG-CB 3.98Å; W364-D373 CarbonylContact C-O 3.57Å; W364-D373 VanDerWaalsContact CA-O 3.31Å; W364-D373 WeakPolarHBondContact CA-O 3.45Å; D365-D373 HydrophobicContact CB-CB 4.1Å; D365-D373 PolarHBondContact N-O 3.45Å; D365-D373 PolarHBondContact O-N 3.42Å; D373-I375 PolarHBondContact O-N 2.77Å
374Y89.1Confident86.3Confident35 Ų3548.5 Ų48.514%0.13727%0.27CS..EExtended strand (participates in β ladder)trans-82.4116.9176.3-179.7-98.1000110.2W364 G376 G377 N411 E412 N413W364-Y374 HydrophobicContact CD2-CD2 4.18Å; W364-Y374 AromaticContact CE2-CD2 3.79Å; W364-Y374 HydrophobicContact CE3-CD2 4.48Å; W364-Y374 HydrophobicContact CH2-CD2 4.11Å; W364-Y374 AromaticContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CE2 4.44Å; W364-Y374 HydrophobicContact CZ3-CD2 4.45Å; Y374-G376 VanDerWaalsContact CE1-CA 3.44Å; Y374-G376 VanDerWaalsContact CZ-C 3.45Å; Y374-G376 VanDerWaalsContact OH-C 3.31Å; Y374-G377 WeakPolarHBondContact OH-CA 3.34Å; Y374-G377 PolarHBondContact OH-N 2.85Å; Y374-N411 WeakPolarHBondContact CE1-O 3.49Å; Y374-E412 PolarHBondContact OH-O 3.47Å; Y374-N413 HydrophobicContact CD1-CB 4.24Å; Y374-N413 HydrophobicContact CD2-CB 4.27Å; Y374-N413 HydrophobicContact CE1-CB 3.88Å; Y374-N413 HydrophobicContact CE2-CB 3.9Å; Y374-N413 VanDerWaalsContact CE2-OD1 3.28Å; Y374-N413 WeakPolarHBondContact CE2-OD1 3.27Å; Y374-N413 HydrophobicContact CG-CB 4.41Å; Y374-N413 WeakPolarHBondContact OH-CA 3.48Å
375I87.3Confident85.8Confident0 Ų054.7 Ų54.70%030%0.298CS..EExtended strand (participates in β ladder)trans-82.5-55.1177.8-60.6176.1000109.1R275 L301 A302 M304 P312 V363 D365 D373R275-I375 HydrophobicContact CB-CG2 4.4Å; R275-I375 WeakPolarHBondContact CB-O 3.49Å; R275-I375 WeakPolarHBondContact CD-O 3.15Å; L301-I375 HydrophobicContact CB-CG2 4.29Å; L301-I375 HydrophobicContact CD1-CD1 4.43Å; L301-I375 HydrophobicContact CD2-CG2 4.19Å; A302-I375 HydrophobicContact CB-CG2 4.33Å; M304-I375 HydrophobicContact CG-CG1 3.8Å; P312-I375 HydrophobicContact CB-CD1 4.3Å; V363-I375 HydrophobicContact CB-CB 4.4Å; V363-I375 HydrophobicContact CG1-CB 4.36Å; V363-I375 HydrophobicContact CG1-CD1 4.21Å; V363-I375 WeakPolarHBondContact O-CB 3.39Å; V363-I375 PolarHBondContact O-N 2.83Å; D365-I375 HydrophobicContact CB-CD1 4.06Å; D365-I375 HydrophobicContact CB-CG1 4.16Å; D373-I375 PolarHBondContact O-N 2.77Å
376G90.4Very high85.8Confident0 Ų056.9 Ų56.90%032%0.321CS..EExtended strand (participates in β ladder)trans173168.4-179.500000113.1V363 Y374 L410V363-G376 PolarHBondContact N-O 3.43Å; V363-G376 PolarHBondContact O-N 2.9Å; Y374-G376 VanDerWaalsContact CE1-CA 3.44Å; Y374-G376 VanDerWaalsContact CZ-C 3.45Å; Y374-G376 VanDerWaalsContact OH-C 3.31Å; G376-L410 CarbonylContact C-O 3.58Å; G376-L410 WeakPolarHBondContact CA-O 3.48Å
377G92Very high85.7Confident3 Ų357.2 Ų57.23%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-152.3166.9-175.100000113.9I361 Y374 L410I361-G377 CarbonylContact O-C 3.59Å; I361-G377 WeakPolarHBondContact O-CA 3.17Å; Y374-G377 WeakPolarHBondContact OH-CA 3.34Å; Y374-G377 PolarHBondContact OH-N 2.85Å; G377-L410 PolarHBondContact N-O 3.2Å; G377-L410 PolarHBondContact O-N 3.03Å
378C91.7Very high86.2Confident1 Ų159.5 Ų59.51%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-147.8158.4174.468.50000109.8I361 H407I361-C378 WeakPolarHBondContact CB-O 3.4Å; I361-C378 PolarHBondContact N-O 2.87Å; I361-C378 PolarHBondContact O-N 3.41Å; I361-C378 VanDerWaalsContact O-O 3.11Å; C378-H407 HydrophobicContact CB-CB 4.32Å
379Q92.6Very high86.9Confident44 Ų4456.1 Ų56.121%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-126.6127-177.6-172.5178.778.900109.7T358 L359 R388T358-Q379 HydrophobicContact CG2-CG 3.15Å; L359-Q379 WeakPolarHBondContact O-CA 3.41Å; Q379-R388 WeakPolarHBondContact O-CD 3.39Å
380L92.4Very high87.9Confident0 Ų057.2 Ų57.20%030%0.297CS..EExtended strand (participates in β ladder)trans-109129.2176.7-48.6-176.7000109L282 T358 L359 I361 R388 W392L282-L380 HydrophobicContact CD1-CD1 3.85Å; T358-L380 CarbonylContact C-O 3.43Å; T358-L380 WeakPolarHBondContact CA-O 3.3Å; L359-L380 HydrophobicContact CB-CB 4.29Å; L359-L380 HydrophobicContact CD2-CD1 4.31Å; L359-L380 PolarHBondContact N-O 3.46Å; L359-L380 PolarHBondContact O-N 3.04Å; I361-L380 HydrophobicContact CD1-CD1 3.83Å; I361-L380 HydrophobicContact CD1-CG 3.97Å; L380-R388 HydrophobicContact CD2-CB 3.68Å; L380-R388 HydrophobicContact CD2-CG 3.81Å; L380-W392 HydrophobicContact CB-CE3 3.92Å
381G91.4Very high88.6Confident0 Ų049.5 Ų49.50%026%0.263CS..EExtended strand (participates in β ladder)trans175.6172.4-17700000110.9T383 A384G381-T383 PolarHBondContact O-N 2.95Å; G381-A384 VanDerWaalsContact O-CB 3.27Å; G381-A384 WeakPolarHBondContact O-CB 3.43Å; G381-A384 PolarHBondContact O-N 3.4Å
382I88.3Confident89.3Confident94 Ų9444.9 Ų44.948%0.48223%0.231SC..THydrogen-bonded Turntrans-63.9-22.5178.258.2155.2000113.2A355A355-I382 WeakPolarHBondContact O-CD1 3.12Å; A355-I382 VanDerWaalsContact O-CG1 3.28Å; A355-I382 WeakPolarHBondContact O-CG1 3.47Å
383T85.9Confident89.6Confident98 Ų9849 Ų4960%0.60124%0.244SC*.THydrogen-bonded Turntrans-88.7-6.4177.554.60000113G381G381-T383 PolarHBondContact O-N 2.95Å
384A86.6Confident89.8Confident12 Ų1248.6 Ų48.610%0.09924%0.24CC..  trans-71.3167.1177.500000111.1G381 R388 L389G381-A384 VanDerWaalsContact O-CB 3.27Å; G381-A384 WeakPolarHBondContact O-CB 3.43Å; G381-A384 PolarHBondContact O-N 3.4Å; A384-R388 HydrophobicContact CB-CB 3.71Å; A384-L389 WeakPolarHBondContact O-CB 3.31Å
385K82.6Confident89.9Confident167 Ų16747 Ų4773%0.72623%0.234SC*.  trans-122152.3178.9-62.7-178.7-178.1178.10111
386G88.5Confident90Very high47 Ų4748.4 Ų48.449%0.48524%0.241SC..THydrogen-bonded Turntrans65.2-136.7175.200000113.1R388 L389 K390G386-R388 PolarHBondContact O-N 2.86Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.72Å; G386-L389 VanDerWaalsContact O-N 3.1Å; G386-K390 PolarHBondContact O-N 3.13Å; G386-K390 VanDerWaalsContact O-N 3.13Å
387E86.5Confident90Very high89 Ų8954.9 Ų54.942%0.41627%0.269SS..Hα-helixtrans-59.5-31.4-177.1-65-52.3125.700113.8L389 K390 H391 R405E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.85Å; E387-K390 PolarHBondContact O-N 3.33Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 WeakPolarHBondContact OE1-CE 3.27Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 2.91Å; E387-H391 WeakPolarHBondContact O-CB 3.42Å; E387-H391 PolarHBondContact O-N 2.81Å; E387-R405 IonicContact OE2-NE 3.91Å
388R90Very high89.9Confident69 Ų6957.1 Ų57.126%0.2628%0.281SS..Hα-helixtrans-62.3-40.4176.7-65.4178.7-67.6179-5.9112Q379 L380 A384 G386 W392Q379-R388 WeakPolarHBondContact O-CD 3.39Å; L380-R388 HydrophobicContact CD2-CB 3.68Å; L380-R388 HydrophobicContact CD2-CG 3.81Å; A384-R388 HydrophobicContact CB-CB 3.71Å; G386-R388 PolarHBondContact O-N 2.86Å; R388-W392 PolarHBondContact O-N 3.39Å
389L90.6Very high89.8Confident63 Ų6362 Ų6233%0.3330%0.302SS..Hα-helixtrans-72.1-45.1176.1178.860.5000111.3A384 G386 E387 H391 W392 Y393A384-L389 WeakPolarHBondContact O-CB 3.31Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.72Å; G386-L389 VanDerWaalsContact O-N 3.1Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.85Å; L389-H391 VanDerWaalsContact C-N 3.29Å; L389-H391 PolarHBondContact O-N 2.82Å; L389-W392 PolarHBondContact O-N 2.91Å; L389-Y393 VanDerWaalsContact O-CB 3.25Å; L389-Y393 WeakPolarHBondContact O-CB 3.47Å; L389-Y393 PolarHBondContact O-N 2.67Å
390K90.4Very high89.7Confident104 Ų10463 Ų6345%0.45231%0.309SS..Hα-helixtrans-56.9-45.3178.4-68.5-178.8-173.7168.50111.2G386 E387 W392 Y393 E394G386-K390 PolarHBondContact O-N 3.13Å; G386-K390 VanDerWaalsContact O-N 3.13Å; E387-K390 PolarHBondContact O-N 3.33Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 WeakPolarHBondContact OE1-CE 3.27Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 2.91Å; K390-W392 PolarHBondContact O-N 2.93Å; K390-Y393 PolarHBondContact O-N 3.21Å; K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 WeakPolarHBondContact O-CG 3.28Å; K390-E394 PolarHBondContact O-N 3.2Å
391H93.3Very high89.7Confident0 Ų069.1 Ų69.10%034%0.335CS..Hα-helixtrans-60.5-47.7178.2-164.7-164.8000112.6M280 E387 L389 C395 I403 R405 H407M280-H391 PolarHBondContact O-CE1 2.86Å; M280-H391 VanDerWaalsContact O-CE1 3.23Å; E387-H391 WeakPolarHBondContact O-CB 3.42Å; E387-H391 PolarHBondContact O-N 2.81Å; L389-H391 VanDerWaalsContact C-N 3.29Å; L389-H391 PolarHBondContact O-N 2.82Å; H391-C395 PolarHBondContact O-N 2.66Å; H391-C395 VanDerWaalsContact O-N 3.17Å; H391-I403 PolarHBondContact NE2-O 3Å; H391-I403 VanDerWaalsContact NE2-O 3.11Å; H391-R405 HydrophobicContact CB-CB 4.36Å; H391-H407 AromaticContact CE1-NE2 3.74Å; H391-H407 AromaticContact CG-NE2 3.69Å; H391-H407 AromaticContact ND1-CD2 3.93Å; H391-H407 AromaticContact ND1-CE1 3.6Å; H391-H407 AromaticContact ND1-NE2 2.88Å; H391-H407 PolarHBondContact ND1-NE2 3.39Å
392W93.6Very high89.8Confident0 Ų074.3 Ų74.30%036%0.355CS..Hα-helixtrans-62.8-49177.7-167.4-108000111.2L282 L291 L318 L354 K357 L359 L380 R388 L389 K390 E394 C395 L396L282-W392 HydrophobicContact CD1-CE3 3.97Å; L282-W392 HydrophobicContact CD1-CZ3 4.38Å; L291-W392 HydrophobicContact CD2-CH2 3.95Å; L291-W392 HydrophobicContact CD2-CZ3 4.21Å; L318-W392 HydrophobicContact CD1-CH2 4.22Å; L354-W392 HydrophobicContact CD2-CH2 4.04Å; L354-W392 HydrophobicContact CD2-CZ2 4.01Å; K357-W392 HydrophobicContact CB-CZ2 4.32Å; L359-W392 HydrophobicContact CB-CE3 4.45Å; L359-W392 HydrophobicContact CB-CH2 4.14Å; L359-W392 HydrophobicContact CB-CZ3 3.68Å; L359-W392 HydrophobicContact CD2-CZ3 4.29Å; L380-W392 HydrophobicContact CB-CE3 3.92Å; R388-W392 PolarHBondContact O-N 3.39Å; L389-W392 PolarHBondContact O-N 2.91Å; K390-W392 PolarHBondContact O-N 2.93Å; W392-E394 PolarHBondContact O-N 2.74Å; W392-C395 WeakPolarHBondContact O-CB 3.08Å; W392-C395 PolarHBondContact O-N 2.93Å; W392-L396 HydrophobicContact CD2-CD1 4.06Å; W392-L396 HydrophobicContact CG-CD1 3.94Å; W392-L396 HydrophobicContact CZ2-CD1 4.42Å; W392-L396 WeakPolarHBondContact O-CD1 3.28Å; W392-L396 PolarHBondContact O-N 2.97Å
393Y91.9Very high90Very high138 Ų13871.1 Ų71.154%0.54134%0.338SS..Hα-helixtrans-60.5-43.2-178.6-179-98.1000112.6L389 K390 C395 L396 K397L389-Y393 VanDerWaalsContact O-CB 3.25Å; L389-Y393 WeakPolarHBondContact O-CB 3.47Å; L389-Y393 PolarHBondContact O-N 2.67Å; K390-Y393 PolarHBondContact O-N 3.21Å; Y393-C395 VanDerWaalsContact C-N 3.35Å; Y393-C395 PolarHBondContact O-N 3.5Å; Y393-L396 PolarHBondContact O-N 3.3Å; Y393-L396 VanDerWaalsContact O-N 3.12Å; Y393-K397 HydrophobicContact CE1-CB 4.43Å; Y393-K397 HydrophobicContact CE1-CD 3.92Å; Y393-K397 WeakPolarHBondContact O-CB 3.33Å; Y393-K397 PolarHBondContact O-N 2.56Å
394E91Very high90.4Very high56 Ų5671.2 Ų71.226%0.26233%0.332SS..Hα-helixtrans-65.2-37.8176.6-78.4178.6-162.600112.6K390 W392 L396 K397 N398 I403 R405K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 WeakPolarHBondContact O-CG 3.28Å; K390-E394 PolarHBondContact O-N 3.2Å; W392-E394 PolarHBondContact O-N 2.74Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.93Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.18Å; E394-N398 PolarHBondContact O-ND2 3.38Å; E394-I403 HydrophobicContact CB-CG1 4.41Å; E394-R405 IonicContact OE1-CZ 3.38Å; E394-R405 IonicContact OE1-NH1 3.6Å; E394-R405 IonicContact OE1-NH2 3.7Å; E394-R405 PolarHBondContact OE1-NH2 3.12Å; E394-R405 IonicContact OE2-CZ 2.99Å; E394-R405 VanDerWaalsContact OE2-CZ 3.26Å; E394-R405 IonicContact OE2-NH1 3.09Å; E394-R405 PolarHBondContact OE2-NH1 3.45Å; E394-R405 IonicContact OE2-NH2 2.65Å; E394-R405 PolarHBondContact OE2-NH2 2.8Å
395C91.3Very high90.6Very high1 Ų173 Ų731%0.00734%0.336CS..Hα-helixtrans-62.1-35.8171.8-178.60000111.9L282 H391 W392 Y393L282-C395 HydrophobicContact CB-CB 3.92Å; L282-C395 HydrophobicContact CD1-CB 4.33Å; H391-C395 PolarHBondContact O-N 2.66Å; H391-C395 VanDerWaalsContact O-N 3.17Å; W392-C395 WeakPolarHBondContact O-CB 3.08Å; W392-C395 PolarHBondContact O-N 2.93Å; Y393-C395 VanDerWaalsContact C-N 3.35Å; Y393-C395 PolarHBondContact O-N 3.5Å
396L88.8Confident90.9Very high30 Ų3067.9 Ų67.916%0.15731%0.312CS..Hα-helixtrans-72.4-39.4176.6-88.581.8000112.4H351 L354 A355 W392 Y393 E394H351-L396 PolarHBondContact NE2-O 3.36Å; L354-L396 HydrophobicContact CB-CD1 4.4Å; L354-L396 HydrophobicContact CB-CD2 4.36Å; L354-L396 HydrophobicContact CB-CG 4.25Å; A355-L396 HydrophobicContact CB-CD2 4.1Å; W392-L396 HydrophobicContact CD2-CD1 4.06Å; W392-L396 HydrophobicContact CG-CD1 3.94Å; W392-L396 HydrophobicContact CZ2-CD1 4.42Å; W392-L396 WeakPolarHBondContact O-CD1 3.28Å; W392-L396 PolarHBondContact O-N 2.97Å; Y393-L396 PolarHBondContact O-N 3.3Å; Y393-L396 VanDerWaalsContact O-N 3.12Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.93Å
397K90.1Very high90.9Very high137 Ų13765.8 Ų65.860%0.59629%0.29SS*.Hα-helixtrans-76.4-45.9-176.9-175178.6177.3-176.20112Y393 E394 K399Y393-K397 HydrophobicContact CE1-CB 4.43Å; Y393-K397 HydrophobicContact CE1-CD 3.92Å; Y393-K397 WeakPolarHBondContact O-CB 3.33Å; Y393-K397 PolarHBondContact O-N 2.56Å; E394-K397 PolarHBondContact O-N 3.07Å; K397-K399 PolarHBondContact O-N 3.24Å
398N90.9Very high90.9Very high50 Ų5064.4 Ų64.427%0.26729%0.287SS..SBendtrans-97.280.5-174.5-61.5-45000110.5E394 K401E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.18Å; E394-N398 PolarHBondContact O-ND2 3.38Å; N398-K401 HydrophobicContact CB-CB 4.04Å; N398-K401 HydrophobicContact CB-CD 4.15Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 PolarHBondContact O-N 2.88Å
399K88.7Confident90.9Very high104 Ų10461.1 Ų61.145%0.45228%0.275SS..THydrogen-bonded Turntrans-59141.2175.1-63.9175.4-176.4-178.50110.7T286 H351 K397 K401T286-K399 HydrophobicContact CG2-CB 3.75Å; T286-K399 HydrophobicContact CG2-CD 3.75Å; T286-K399 HydrophobicContact CG2-CG 4.03Å; H351-K399 WeakPolarHBondContact CE1-CE 3.13Å; H351-K399 WeakPolarHBondContact NE2-CE 3.5Å; K397-K399 PolarHBondContact O-N 3.24Å; K399-K401 PolarHBondContact O-N 3.11Å
400D91.8Very high90.6Very high65 Ų6559.9 Ų59.935%0.34827%0.269SS..THydrogen-bonded Turntrans59.612.4178.9-53.4-70.9000115.3Y284 S285 T286Y284-D400 WeakPolarHBondContact O-CA 3.33Å; Y284-D400 PolarHBondContact O-N 3.34Å; S285-D400 VanDerWaalsContact CA-OD1 3.28Å; S285-D400 WeakPolarHBondContact CA-OD1 3.42Å; T286-D400 WeakPolarHBondContact CB-OD2 3.45Å; T286-D400 VanDerWaalsContact CG2-OD2 3.24Å; T286-D400 WeakPolarHBondContact CG2-OD2 3.46Å; T286-D400 PolarHBondContact N-OD1 3.44Å; T286-D400 VanDerWaalsContact OG1-CG 3.31Å; T286-D400 PolarHBondContact OG1-OD1 2.98Å; T286-D400 PolarHBondContact OG1-OD2 2.86Å
401K92.4Very high90Very high128 Ų12857.1 Ų57.156%0.55726%0.259SS*.  trans-102.9134.8170.1-63.5-165.3-179.7-177.50110.4N398 K399 I403N398-K401 HydrophobicContact CB-CB 4.04Å; N398-K401 HydrophobicContact CB-CD 4.15Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 PolarHBondContact O-N 2.88Å; K399-K401 PolarHBondContact O-N 3.11Å; K401-I403 HydrophobicContact CB-CD1 4.43Å
402R93.4Very high88.8Confident108 Ų10862.3 Ų62.341%0.40828%0.283SS..  trans-80.8124.9170.2-178.2-177.6-62.8-863.1109S281 M283 E344 E404S281-R402 VanDerWaalsContact OG-CG 3.26Å; S281-R402 WeakPolarHBondContact OG-CG 3.47Å; S281-R402 PolarHBondContact OG-NH1 3.31Å; M283-R402 HydrophobicContact CB-CB 4.48Å; E344-R402 IonicContact OE1-CZ 3.47Å; E344-R402 IonicContact OE1-NH1 3.26Å; E344-R402 PolarHBondContact OE1-NH1 2.97Å; E344-R402 IonicContact OE1-NH2 2.64Å; E344-R402 PolarHBondContact OE1-NH2 2.96Å; R402-E404 HydrophobicContact CG-CG 4.3Å
403I92.9Very high87.1Confident27 Ų2765.3 Ų65.314%0.13830%0.299CS..EExtended strand (participates in β ladder)trans-117127.8175.1-51.4-62.9000107.5S281 L282 H391 E394 K401S281-I403 CarbonylContact C-O 3.28Å; S281-I403 WeakPolarHBondContact CA-O 3.32Å; L282-I403 PolarHBondContact N-O 3.06Å; L282-I403 PolarHBondContact O-N 2.97Å; H391-I403 PolarHBondContact NE2-O 3Å; H391-I403 VanDerWaalsContact NE2-O 3.11Å; E394-I403 HydrophobicContact CB-CG1 4.41Å; K401-I403 HydrophobicContact CB-CD1 4.43Å
404E93.5Very high85.3Confident101 Ų10162.3 Ų62.347%0.47229%0.29SS..EExtended strand (participates in β ladder)trans-113.6134.1175.9-56.2-167155.300109.6L279 M280 R402L279-E404 HydrophobicContact CD1-CB 4.17Å; M280-E404 CarbonylContact O-C 3.54Å; M280-E404 VanDerWaalsContact O-CA 3.29Å; M280-E404 WeakPolarHBondContact O-CA 3.16Å; R402-E404 HydrophobicContact CG-CG 4.3Å
405R90.6Very high83.2Confident49 Ų4962 Ų6219%0.18529%0.29CS..EExtended strand (participates in β ladder)trans-147.7147175-84.8-159.617887.9-3112.8M280 E387 H391 E394 H407M280-R405 PolarHBondContact N-O 2.73Å; M280-R405 PolarHBondContact O-N 2.78Å; E387-R405 IonicContact OE2-NE 3.91Å; H391-R405 HydrophobicContact CB-CB 4.36Å; E394-R405 IonicContact OE1-CZ 3.38Å; E394-R405 IonicContact OE1-NH1 3.6Å; E394-R405 IonicContact OE1-NH2 3.7Å; E394-R405 PolarHBondContact OE1-NH2 3.12Å; E394-R405 IonicContact OE2-CZ 2.99Å; E394-R405 VanDerWaalsContact OE2-CZ 3.26Å; E394-R405 IonicContact OE2-NH1 3.09Å; E394-R405 PolarHBondContact OE2-NH1 3.45Å; E394-R405 IonicContact OE2-NH2 2.65Å; E394-R405 PolarHBondContact OE2-NH2 2.8Å; R405-H407 PolarHBondContact O-CD2 3.01Å; R405-H407 VanDerWaalsContact O-CD2 3.26Å; R405-H407 PolarHBondContact O-NE2 3.33Å
406W88.4Confident80.7Confident59 Ų5967.8 Ų67.822%0.22332%0.324CS..EExtended strand (participates in β ladder)trans-75.1138.9168.7-71.9104000112R277 I278 L279 R297 V299R277-W406 HydrophobicContact CB-CE3 3.83Å; R277-W406 HydrophobicContact CB-CZ3 4.24Å; I278-W406 VanDerWaalsContact C-CE3 3.41Å; I278-W406 CarbonylContact O-C 3.52Å; I278-W406 WeakPolarHBondContact O-CA 3.46Å; L279-W406 HydrophobicContact CB-CD2 3.94Å; L279-W406 HydrophobicContact CB-CE3 3.78Å; L279-W406 HydrophobicContact CB-CH2 3.69Å; L279-W406 HydrophobicContact CB-CZ2 3.83Å; L279-W406 HydrophobicContact CB-CZ3 3.65Å; L279-W406 HydrophobicContact CD1-CD2 4.14Å; L279-W406 HydrophobicContact CD1-CG 4.22Å; L279-W406 HydrophobicContact CD2-CZ2 4.04Å; L279-W406 HydrophobicContact CG-CZ2 4.37Å; R297-W406 HydrophobicContact CG-CH2 3.89Å; V299-W406 HydrophobicContact CB-CH2 4.36Å; V299-W406 HydrophobicContact CB-CZ3 4.42Å; V299-W406 HydrophobicContact CG1-CH2 3.7Å; V299-W406 HydrophobicContact CG1-CZ3 4.21Å; V299-W406 HydrophobicContact CG2-CE3 4.3Å; V299-W406 HydrophobicContact CG2-CH2 3.8Å; V299-W406 HydrophobicContact CG2-CZ3 3.58Å
407H89.5Confident77.9Confident4 Ų471.6 Ų71.62%0.01935%0.354CS..EExtended strand (participates in β ladder)trans-128.3133.1171.8-62.5-75.5000109.9R277 I278 C378 H391 R405R277-H407 CarbonylContact C-O 3.58Å; R277-H407 VanDerWaalsContact CA-O 3.24Å; R277-H407 WeakPolarHBondContact CA-O 3.31Å; I278-H407 HydrophobicContact CG2-CB 4.07Å; I278-H407 PolarHBondContact N-O 2.86Å; I278-H407 PolarHBondContact O-N 2.81Å; C378-H407 HydrophobicContact CB-CB 4.32Å; H391-H407 AromaticContact CE1-NE2 3.74Å; H391-H407 AromaticContact CG-NE2 3.69Å; H391-H407 AromaticContact ND1-CD2 3.93Å; H391-H407 AromaticContact ND1-CE1 3.6Å; H391-H407 AromaticContact ND1-NE2 2.88Å; H391-H407 PolarHBondContact ND1-NE2 3.39Å; R405-H407 PolarHBondContact O-CD2 3.01Å; R405-H407 VanDerWaalsContact O-CD2 3.26Å; R405-H407 PolarHBondContact O-NE2 3.33Å
408T86.8Confident75.1Confident59 Ų5976.1 Ų76.136%0.36239%0.385SS..EExtended strand (participates in β ladder)trans-71.5132.6171.9-52.80000109.9E274 L410E274-T408 HydrophobicContact CB-CG2 4Å; E274-T408 HydrophobicContact CG-CG2 3.54Å; T408-L410 HydrophobicContact CG2-CD2 4.24Å
409L88.4Confident74.3Confident0 Ų077.5 Ų77.50%039%0.39CS..EExtended strand (participates in β ladder)trans-87.8124175.1-61.4172.9000109R275 G276 I278 L301 V363R275-L409 PolarHBondContact N-O 3.32Å; G276-L409 WeakPolarHBondContact O-CB 3.18Å; G276-L409 PolarHBondContact O-N 3.36Å; I278-L409 HydrophobicContact CB-CD2 4.18Å; I278-L409 HydrophobicContact CB-CG 4.46Å; I278-L409 HydrophobicContact CG2-CD2 3.63Å; I278-L409 HydrophobicContact CG2-CG 4.23Å; L301-L409 HydrophobicContact CD2-CD1 3.36Å; V363-L409 HydrophobicContact CB-CD1 4.11Å; V363-L409 HydrophobicContact CG2-CD1 3.6Å; V363-L409 HydrophobicContact CG2-CD2 3.74Å; V363-L409 HydrophobicContact CG2-CG 4.34Å
410L84.4Confident73.5Confident37 Ų3776.1 Ų76.119%0.19439%0.387CS..EExtended strand (participates in β ladder)trans-102.5153.7178.7-55.6179000110.2A272 G376 G377 T408 E412A272-L410 HydrophobicContact CB-CD1 4.48Å; A272-L410 HydrophobicContact CB-CD2 4.02Å; G376-L410 CarbonylContact C-O 3.58Å; G376-L410 WeakPolarHBondContact CA-O 3.48Å; G377-L410 PolarHBondContact N-O 3.2Å; G377-L410 PolarHBondContact O-N 3.03Å; T408-L410 HydrophobicContact CG2-CD2 4.24Å; L410-E412 PolarHBondContact O-N 3.29Å
411N78.4Confident72.5Confident47 Ų4776.7 Ų76.725%0.25139%0.389SS..SBendtrans-69.4-16176.365.4-5.8000113.9Y374 N413Y374-N411 WeakPolarHBondContact CE1-O 3.49Å; N411-N413 PolarHBondContact O-N 2.79Å
412E68.8Low71.3Confident108 Ų10873.6 Ų73.651%0.50538%0.38SS..  trans-74.5106.4178.7-72.8-172170.900111.6Y374 L410 H414Y374-E412 PolarHBondContact OH-O 3.47Å; L410-E412 PolarHBondContact O-N 3.29Å; E412-H414 PolarHBondContact O-N 3.16Å; E412-H414 VanDerWaalsContact O-N 3.1Å; E412-H414 IonicContact OE2-CE1 3.62Å; E412-H414 PolarHBondContact OE2-CE1 3.31Å
413N58.3Low70Confident63 Ų6371.5 Ų71.534%0.33738%0.378SS..  trans-76.795.1171.7-165.215.4000109.9Y374 N411 I415Y374-N413 HydrophobicContact CD1-CB 4.24Å; Y374-N413 HydrophobicContact CD2-CB 4.27Å; Y374-N413 HydrophobicContact CE1-CB 3.88Å; Y374-N413 HydrophobicContact CE2-CB 3.9Å; Y374-N413 VanDerWaalsContact CE2-OD1 3.28Å; Y374-N413 WeakPolarHBondContact CE2-OD1 3.27Å; Y374-N413 HydrophobicContact CG-CB 4.41Å; Y374-N413 WeakPolarHBondContact OH-CA 3.48Å; N411-N413 PolarHBondContact O-N 2.79Å; N413-I415 PolarHBondContact O-N 3.37Å; N413-I415 VanDerWaalsContact O-N 3.08Å; N413-I415 VanDerWaalsContact OD1-CB 3.3Å; N413-I415 WeakPolarHBondContact OD1-CB 2.82Å; N413-I415 VanDerWaalsContact OD1-CG1 3.31Å; N413-I415 WeakPolarHBondContact OD1-CG1 3.44Å; N413-I415 PolarHBondContact OD1-N 3.11Å
414H53Low68.4Low75 Ų7574.5 Ų74.535%0.34739%0.394SS..  trans-70.65.5172.4-59.7-55.2000113.6K319 E412 V416K319-H414 PolarHBondContact NZ-O 3.2Å; E412-H414 PolarHBondContact O-N 3.16Å; E412-H414 VanDerWaalsContact O-N 3.1Å; E412-H414 IonicContact OE2-CE1 3.62Å; E412-H414 PolarHBondContact OE2-CE1 3.31Å; H414-V416 PolarHBondContact O-N 3.04Å; H414-V416 VanDerWaalsContact O-N 3.15Å
415I47.9Very low66.6Low50 Ų5072.6 Ų72.626%0.25639%0.388SS..  trans-83.386.9169.6-51.7174.4000107.1S362 N413 S417S362-I415 WeakPolarHBondContact OG-CD1 3.26Å; N413-I415 PolarHBondContact O-N 3.37Å; N413-I415 VanDerWaalsContact O-N 3.08Å; N413-I415 VanDerWaalsContact OD1-CB 3.3Å; N413-I415 WeakPolarHBondContact OD1-CB 2.82Å; N413-I415 VanDerWaalsContact OD1-CG1 3.31Å; N413-I415 WeakPolarHBondContact OD1-CG1 3.44Å; N413-I415 PolarHBondContact OD1-N 3.11Å; I415-S417 PolarHBondContact O-N 2.78Å; I415-S417 VanDerWaalsContact O-N 3.11Å
416V37.2Very low64.8Low122 Ų12274.4 Ų74.474%0.73940%0.404SS*.  trans-54.4117157.2-176.90000106.2H414 D418H414-V416 PolarHBondContact O-N 3.04Å; H414-V416 VanDerWaalsContact O-N 3.15Å; V416-D418 PolarHBondContact O-N 2.89Å
417S31.5Very low62.8Low111 Ų11175.7 Ų75.778%0.77642%0.419SS*.  trans-60.5104.5169-56.60000107.5I415I415-S417 PolarHBondContact O-N 2.78Å; I415-S417 VanDerWaalsContact O-N 3.11Å
418D29.8Very low60.4Low232 Ų23282.2 Ų82.2100%1.24146%0.455SS*.  trans-84.80155.2-101.7-23.2000108.9V416V416-D418 PolarHBondContact O-N 2.89Å

Retrieved 418 of 418 residues in 192.3 ms (Link to these results)