A0A3Q0KTZ3_SCHMA Loading...

START domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.1Very low27.8Very low240 Ų240164.4 Ų164.4100%1.18279%0.791SS**  090.20-90.5-174.2-178.300109
2F26.6Very low28.2Very low212 Ų212160 Ų16093%0.9379%0.791SS**  trans-80.9114.6175.7-73.2-98000108.5
3R24.9Very low28.6Very low237 Ų237161.1 Ų161.189%0.89479%0.792SS**  trans-139.5104.6166.2-78.8-168.4174.6169.7-1.8110
4L26.3Very low28.9Very low157 Ų157157.7 Ų157.782%0.82278%0.779SS**  trans28.893.8157.8-81.186.7000116.9
5L27.4Very low29.5Very low132 Ų132152.6 Ų152.669%0.69176%0.76SS**  trans-97.196.2149-79.9166.5000107.5P7 F115L5-P7 WeakPolarHBondContact O-CD 3.3Å; L5-F115 HydrophobicContact CB-CE2 4.45Å; L5-F115 HydrophobicContact CB-CZ 4.46Å; L5-F115 HydrophobicContact CD1-CZ 4.36Å
6V27.8Very low29.8Very low108 Ų108147.1 Ų147.166%0.65574%0.739SS**  trans-57.4120.9167.2176.20000107.5L8V6-L8 PolarHBondContact O-N 2.73Å
7P29.8Very low30.2Very low95 Ų95151.1 Ų151.162%0.61774%0.743SS**  trans-7896.6177.730.8-29.2000107.9L5 R9L5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 2.65Å
8L28.9Very low30.6Very low140 Ų140147.2 Ų147.273%0.73372%0.723SS**  trans-64.396.4164.1-82.9158.5000108V6V6-L8 PolarHBondContact O-N 2.73Å
9R28.2Very low30.9Very low219 Ų219144.6 Ų144.683%0.82671%0.712SS**  trans-66.5126.3167.5-75.7177.6172.2171.1-1.7108.1P7P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 2.65Å
10C26.6Very low31.1Very low79 Ų79142.4 Ų142.453%0.53470%0.703SS.*  trans-136.2104.7156.9-1100000109E18C10-E18 PolarHBondContact SG-OE2 3.1Å
11K28.6Very low31.5Very low189 Ų189140.2 Ų140.282%0.82269%0.694SS**  trans-66.7141.7163.8-71.4-179.2173.8-176.60107.9Q13K11-Q13 PolarHBondContact O-N 2.86Å
12S31.8Very low31.7Very low112 Ų112134.2 Ų134.278%0.78367%0.666SS**THydrogen-bonded Turntrans-65.126.4-170.459.30000116.8
13Q33.9Very low32.2Very low174 Ų174129.6 Ų129.681%0.81365%0.647SS**THydrogen-bonded Turntrans-122.8-3.4-176.8-75.4178.7-14.100115.2K11K11-Q13 PolarHBondContact O-N 2.86Å
14N33.3Very low32.7Very low114 Ų114126 Ų12661%0.6164%0.638SS**  trans-132.221.7-175.8-81.9-31.9000116P16 R17N14-P16 VanDerWaalsContact C-N 3.31Å; N14-P16 WeakPolarHBondContact O-CD 3.42Å; N14-P16 VanDerWaalsContact O-N 3.1Å; N14-R17 PolarHBondContact O-N 3.47Å
15V37.8Very low33.5Very low81 Ų81124.8 Ų124.849%0.49163%0.632SS.*Hα-helixtrans-48-35.8-178.7-1780000115.1R17 L19V15-R17 PolarHBondContact O-N 3.06Å; V15-L19 HydrophobicContact CG1-CD1 3.6Å; V15-L19 WeakPolarHBondContact O-CD1 3.36Å
16P34.1Very low33.7Very low65 Ų65128.5 Ų128.542%0.42264%0.637SS.*Hα-helixtrans-68-28-177-23.335000116.3N14 C50N14-P16 VanDerWaalsContact C-N 3.31Å; N14-P16 WeakPolarHBondContact O-CD 3.42Å; N14-P16 VanDerWaalsContact O-N 3.1Å; P16-C50 HydrophobicContact CB-CB 3.58Å; P16-C50 WeakPolarHBondContact CB-SG 3.4Å; P16-C50 HydrophobicContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-SG 3.56Å
17R36.6Very low33.8Very low215 Ų215133 Ų13381%0.81164%0.643SS**Hα-helixtrans-92.8-24.8-172.9-96.7-179.4177.8174.5-0.3113.7N14 V15N14-R17 PolarHBondContact O-N 3.47Å; V15-R17 PolarHBondContact O-N 3.06Å
18E38.2Very low33.7Very low81 Ų81133.1 Ų133.138%0.37964%0.644SS.*Hα-helixtrans-92.7-16.9-179.4-63.7-142.5168.800114C10 N20 L21 L22C10-E18 PolarHBondContact SG-OE2 3.1Å; E18-N20 PolarHBondContact O-N 2.86Å; E18-L21 PolarHBondContact O-N 3.12Å; E18-L22 PolarHBondContact O-N 3.05Å
19L36.1Very low33.8Very low98 Ų98134 Ų13451%0.51365%0.648SS.*Hα-helixtrans-62.4-26.8167.2-100.3141.1000112.7V15 Q23V15-L19 HydrophobicContact CG1-CD1 3.6Å; V15-L19 WeakPolarHBondContact O-CD1 3.36Å; L19-Q23 PolarHBondContact O-N 3.16Å
20N33.8Very low33.7Very low99 Ų99133.4 Ų133.453%0.52965%0.648SS.*Hα-helixtrans-74.9-22.2171.9-98.5-36.1000113.7E18 K24E18-N20 PolarHBondContact O-N 2.86Å; N20-K24 WeakPolarHBondContact O-CG 3.42Å; N20-K24 PolarHBondContact O-N 2.74Å
21L39.1Very low33.8Very low98 Ų98138.4 Ų138.451%0.51366%0.661SS.*Hα-helixtrans-84-37176.4-93.8157.9000111.5E18 K24 L25E18-L21 PolarHBondContact O-N 3.12Å; L21-K24 PolarHBondContact O-N 3.23Å; L21-L25 PolarHBondContact O-N 3.01Å
22L35.5Very low33.6Very low113 Ų113134.8 Ų134.859%0.59266%0.659SS**Hα-helixtrans-73.2-25.7173.8-74.7167000113.3E18E18-L22 PolarHBondContact O-N 3.05Å
23Q36.9Very low33.5Very low115 Ų115139.2 Ų139.254%0.53767%0.665SS.*Hα-helixtrans-71.2-29.6166.7-87.2179.5-26.300113L19L19-Q23 PolarHBondContact O-N 3.16Å
24K36.8Very low33Very low161 Ų161136.5 Ų136.570%0.767%0.665SS**Hα-helixtrans-83.9-24.6178.1-78.3-179.9177.3-176.90114.4N20 L21 R26N20-K24 WeakPolarHBondContact O-CG 3.42Å; N20-K24 PolarHBondContact O-N 2.74Å; L21-K24 PolarHBondContact O-N 3.23Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.12Å
25L42.1Very low32.8Very low132 Ų132136.6 Ų136.669%0.69168%0.675SS**SBendtrans-85.24175.2-80.8158.9000113.8L21 Y27L21-L25 PolarHBondContact O-N 3.01Å; L25-Y27 PolarHBondContact O-N 3.1Å
26R32.4Very low32.2Very low211 Ų211136.1 Ų136.180%0.79669%0.686SS**  trans-79.839.3178.8-137.1178.3-167.8175.33.6112.7K24K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.12Å
27Y28.9Very low32Very low202 Ų202140.9 Ų140.979%0.79271%0.706SS**SBendtrans-90.4137165.1-86.3-85.9000109.2L25 L29L25-Y27 PolarHBondContact O-N 3.1Å; Y27-L29 PolarHBondContact O-N 3.2Å; Y27-L29 VanDerWaalsContact O-N 3.08Å
28P29.1Very low31.4Very low98 Ų98138.2 Ų138.264%0.63671%0.707SS**  trans-76105.6-167.730.9-31.2000109.6Y30P28-Y30 VanDerWaalsContact C-N 3.29Å; P28-Y30 HydrophobicContact CG-CE2 4.39Å; P28-Y30 WeakPolarHBondContact O-CD2 3.14Å; P28-Y30 PolarHBondContact O-N 2.89Å
29L30.3Very low30.7Very low158 Ų158145.5 Ų145.583%0.82773%0.733SS**  trans-71.795.9159.5-85163.4000107.7Y27 F31Y27-L29 PolarHBondContact O-N 3.2Å; Y27-L29 VanDerWaalsContact O-N 3.08Å; L29-F31 PolarHBondContact O-N 3.07Å
30Y26.3Very low30.4Very low207 Ų207148.8 Ų148.881%0.81275%0.745SS**  trans-43.5105.2165.9-82.7-101.9000110.7P28P28-Y30 VanDerWaalsContact C-N 3.29Å; P28-Y30 HydrophobicContact CG-CE2 4.39Å; P28-Y30 WeakPolarHBondContact O-CD2 3.14Å; P28-Y30 PolarHBondContact O-N 2.89Å
31F28.7Very low29.9Very low183 Ų183148.5 Ų148.580%0.80375%0.751SS**  trans-124.3107.9156.1-86.1-78.3000108.4L29 F33L29-F31 PolarHBondContact O-N 3.07Å; F31-F33 PolarHBondContact O-N 2.93Å
32S24.2Very low29.3Very low113 Ų113153.5 Ų153.579%0.7977%0.769SS**  trans-61.8103.8-178.56.90000111
33F29.4Very low28.8Very low206 Ų206157.1 Ų157.190%0.90478%0.78SS**  trans-135.3113.8150-81.4-76.6000109F31 S35F31-F33 PolarHBondContact O-N 2.93Å; F33-S35 PolarHBondContact O-N 3.34Å
34S23.5Very low28.2Very low117 Ų117156 Ų15682%0.81879%0.785SS**  trans-62.4119.6-179132.80000111.6
35S29.4Very low27.9Very low116 Ų116154 Ų15481%0.81179%0.788SS**  -176.6121.5126.520.30000108F33F33-S35 PolarHBondContact O-N 3.34Å
36G24.4Very low27.1Very low71 Ų71154.2 Ų154.273%0.73279%0.79SS**  trans-62.8149.3-165.600000114.6
37I29.6Very low26.8Very low164 Ų164152.2 Ų152.284%0.84179%0.787SS**  -165.1119.1122.6-86.6143.4000106.9
38L24.9Very low26.8Very low159 Ų159150.1 Ų150.183%0.83278%0.784SS**  trans-15.6115.5171.3-70.9143.3000117.6
39Y24.3Very low26.6Very low235 Ų235151.5 Ų151.592%0.92279%0.791SS**  trans-85.6114.6156.6-100.8-99000109.3
40H28.9Very low26.2Very low167 Ų167147.8 Ų147.877%0.77378%0.778SS**  trans-93115158.7-111.1-64.3000109.3
41S23Very low26.3Very low93 Ų93143.6 Ų143.665%0.6578%0.775SS**  trans-52138.5168.850.30000113.3
42F26.9Very low26.1Very low203 Ų203139.9 Ų139.989%0.8977%0.768SS**  trans-144.9142.5146-99.2-76.5000113.4
43K26.1Very low26.2Very low189 Ų189142.3 Ų142.382%0.82277%0.771SS**PPolyproline II helixtrans-62.6143.3-167.2-71.9164.7165.8174.90114.3
44S22.8Very low26Very low91 Ų91140.5 Ų140.564%0.63676%0.763SS**PPolyproline II helixtrans-76.4135.1159.1169.60000110.2
45P30Very low26Very low119 Ų119142.5 Ų142.577%0.77376%0.76SS**PPolyproline II helixtrans-101.2142.6146.324.7-9.5000110.8
46D26.9Very low25.9Very low137 Ų137144.9 Ų144.973%0.73376%0.764SS**PPolyproline II helixtrans-60.7162.7-170.7-70.7-61.4000116.8
47K26.3Very low25.9Very low168 Ų168149.5 Ų149.573%0.7376%0.763SS**  trans82.8112.3134.3-94.3171.4-175.8-179.40119.5
48H27.2Very low25.8Very low158 Ų158150 Ų15073%0.73176%0.762SS**  trans116.9132.4132.8-66.7-59.4000118.8
49T26.6Very low25.9Very low127 Ų127151 Ų15178%0.77976%0.762SS**  trans75.688.9151.133.80000119P51T49-P51 WeakPolarHBondContact O-CD 3.46Å
50C21.5Very low26Very low81 Ų81149.5 Ų149.555%0.54776%0.764SS.*PPolyproline II helixtrans-73.9123.7143.8-75.20000109P16P16-C50 HydrophobicContact CB-CB 3.58Å; P16-C50 WeakPolarHBondContact CB-SG 3.4Å; P16-C50 HydrophobicContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-SG 3.56Å
51P26.9Very low25.9Very low118 Ų118151.3 Ų151.377%0.76677%0.769SS**PPolyproline II helixtrans-87.7125.416314.62.8000109.5T49T49-P51 WeakPolarHBondContact O-CD 3.46Å
52T25.6Very low26Very low106 Ų106156.1 Ų156.165%0.6578%0.779SS**PPolyproline II helixtrans-46.7132.4152.539.40000110.6F54T52-F54 PolarHBondContact O-N 3.45Å
53L25.5Very low26Very low163 Ų163153.5 Ų153.585%0.85377%0.772SS**  trans-59.697.7171.7-87.1151.3000109.6
54F25.9Very low26.1Very low169 Ų169150.7 Ų150.774%0.74177%0.771SS**  trans-95.8139.5166.2-95.9-83.6000110.2T52T52-F54 PolarHBondContact O-N 3.45Å
55E24.1Very low26.1Very low158 Ų158155 Ų15574%0.73878%0.781SS**  trans-37.6133.7166-63.6165.6121.600112.7
56N26.9Very low26.2Very low167 Ų167154.1 Ų154.189%0.89378%0.775SS**  trans-143.3109142-121.6-17000110.6
57K24.5Very low26.2Very low167 Ų167153.4 Ų153.473%0.72678%0.776SS**  trans-68152.8164.1-75.2169.8173.7167.80108.8
58H26.3Very low26.3Very low176 Ų176152.2 Ų152.282%0.81578%0.777SS**  trans101.9133.3168.3-63.4-71.5000116.3
59E27.2Very low26.3Very low179 Ų179153.9 Ų153.984%0.83679%0.785SS**  trans86.384.7174-51.2-162.4165.300117.2
60Q27.8Very low26.3Very low203 Ų203155.8 Ų155.895%0.94979%0.79SS**  -177.199.5114.9-94.1169.21900110.7
61K25.1Very low26.5Very low206 Ų206157.7 Ų157.790%0.89679%0.793SS**  trans-98.2153.5164.1-108.2-178.6177.6177.30107.9
62K25.7Very low26.5Very low194 Ų194159 Ų15984%0.84379%0.792SS**  trans92.3111.2176.9-79-179.7171.6179.60112.5
63I27.3Very low26.4Very low148 Ų148159.4 Ų159.476%0.75979%0.789SS**  -167.8132.460.5-93.2133000111.1
64T28Very low26.4Very low130 Ų130158.3 Ų158.380%0.79878%0.783SS**  trans57.1111.7150.454.30000124.6
65H23Very low26.4Very low182 Ų182156.9 Ų156.984%0.84378%0.777SS**  trans-70.4-174.8146.6-88.3-77.3000112.3
66P32.9Very low26.4Very low100 Ų100153.1 Ų153.165%0.64977%0.768SS**  cis-133.2-175.4-37.431.7-12.1000111
67T25.8Very low26.5Very low122 Ų122150 Ų15075%0.74875%0.751SS**  trans129.7118.6144.462.90000116.4
68L27.6Very low26.8Very low143 Ų143148.6 Ų148.675%0.74975%0.748SS**  trans88.639.1138.7-101.5124.4000122.7M71L68-M71 HydrophobicContact CD2-CE 3.98Å
69E28.3Very low27Very low193 Ų193146.8 Ų146.890%0.90274%0.744SS**  trans-112.9-0.7164.8-77.9-175.516000115.2M71E69-M71 PolarHBondContact O-N 3.02Å
70D26.2Very low27.2Very low167 Ų167143 Ų14389%0.89373%0.73SS**  trans-101.765.6-179.4-67.4-33000112.3
71M25.6Very low27.4Very low121 Ų121143.3 Ų143.360%0.59673%0.728SS**  trans-114.4107.2163.5-93.9-164.1-8000110.7L68 E69 F382L68-M71 HydrophobicContact CD2-CE 3.98Å; E69-M71 PolarHBondContact O-N 3.02Å; M71-F382 HydrophobicContact SD-CE1 3.79Å; M71-F382 HydrophobicContact SD-CZ 4.46Å
72I26.7Very low27.6Very low146 Ų146137.7 Ų137.775%0.74971%0.714SS**  trans-89.6111167.1-61.1171.7000106.8L74I72-L74 HydrophobicContact CG2-CD2 4.33Å; I72-L74 HydrophobicContact CG2-CG 4.38Å; I72-L74 PolarHBondContact O-N 3.39Å
73L24.6Very low27.7Very low113 Ų113136.4 Ų136.459%0.59271%0.709SS**  trans-75.7113.8169.8-82.8154.2000109F75 L379L73-F75 HydrophobicContact CB-CD2 4.38Å; L73-F75 HydrophobicContact CB-CE2 3.81Å; L73-F75 HydrophobicContact CB-CZ 4.44Å; L73-F75 HydrophobicContact CD2-CE2 4.4Å; L73-F75 HydrophobicContact CD2-CZ 4.2Å; L73-F75 HydrophobicContact CG-CE2 4.47Å; L73-L379 HydrophobicContact CD2-CD2 4.1Å
74L25.5Very low27.8Very low141 Ų141136.8 Ų136.874%0.73871%0.713SS**  trans-95.9109.3170.1-68168.5000108.3I72I72-L74 HydrophobicContact CG2-CD2 4.33Å; I72-L74 HydrophobicContact CG2-CG 4.38Å; I72-L74 PolarHBondContact O-N 3.39Å
75F24.7Very low28.1Very low138 Ų138139.8 Ų139.861%0.60571%0.714SS**  trans-91.8132.1167.4-65.7-84.7000108.6L73L73-F75 HydrophobicContact CB-CD2 4.38Å; L73-F75 HydrophobicContact CB-CE2 3.81Å; L73-F75 HydrophobicContact CB-CZ 4.44Å; L73-F75 HydrophobicContact CD2-CE2 4.4Å; L73-F75 HydrophobicContact CD2-CZ 4.2Å; L73-F75 HydrophobicContact CG-CE2 4.47Å
76S25.3Very low29Very low80 Ų80138.1 Ų138.156%0.55971%0.711SS**  trans-111.2112.9168.6159.10000106.4
77D27.6Very low30Very low100 Ų100136.5 Ų136.554%0.53570%0.701SS.*  trans-80.9116.3170.5-152.6-8000108.2D79 I463D77-D79 VanDerWaalsContact C-N 3.32Å; D77-I463 HydrophobicContact CB-CG2 4.49Å
78Q30.9Very low31.8Very low138 Ų138135.9 Ų135.965%0.64569%0.693SS**  trans-883.8-173.7-83.7-170.3-16.100113.5
79D31.9Very low33.7Very low139 Ų139135.5 Ų135.574%0.74369%0.687SS**  trans-104.32.7-167.5-72.7-22.8000116.1D77 K81D77-D79 VanDerWaalsContact C-N 3.32Å; D79-K81 PolarHBondContact O-N 2.9Å
80N30.4Very low35.8Very low99 Ų99130 Ų13053%0.52967%0.674SS.*  trans-92.668.1175.9-82.3-26.7000113.7S82 F83N80-S82 PolarHBondContact O-N 3.33Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 HydrophobicContact CB-CE2 4.18Å
81K32Very low38Very low210 Ų210122.4 Ų122.491%0.91363%0.634SS**THydrogen-bonded Turntrans-68.627.4167.9-77.8-176.8176.61760114.3D79D79-K81 PolarHBondContact O-N 2.9Å
82S29.6Very low40.3Very low87 Ų87118.8 Ų118.861%0.60862%0.616SS**THydrogen-bonded Turntrans-132.44.8-174.860.80000116.8N80 N84N80-S82 PolarHBondContact O-N 3.33Å; S82-N84 PolarHBondContact O-N 3.17Å
83F29Very low42.8Very low168 Ų168114.8 Ų114.874%0.73760%0.596SS**  trans-7965.3172.6-82.6-83.5000113N80 K85N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 HydrophobicContact CB-CE2 4.18Å; F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.37Å; F83-K85 VanDerWaalsContact O-N 3.1Å
84N27.8Very low45.4Very low156 Ų156111.5 Ų111.583%0.83458%0.575SS**  trans-79.978167.5-84.4-27000110.9S82S82-N84 PolarHBondContact O-N 3.17Å
85K35.3Very low47.9Very low192 Ų192105.1 Ų105.184%0.83554%0.542SS*.SBendtrans-173.8101.6147.3-107.3173.2-176.9178.70107.7F83F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.37Å; F83-K85 VanDerWaalsContact O-N 3.1Å
86L42.5Very low50.4Low147 Ų14799.8 Ų99.877%0.7752%0.519SS*.  trans-46.9125.7169.4-125.779.4000108.3N88L86-N88 PolarHBondContact O-N 2.79Å
87P52.5Low53Low67 Ų67102.2 Ų102.244%0.43552%0.516SS..  trans-59.4129176.122.6-29.5000108.1E89 M92 W179P87-E89 PolarHBondContact O-N 3.25Å; P87-M92 HydrophobicContact CB-CE 3.83Å; P87-M92 HydrophobicContact CB-CG 4.08Å; P87-M92 HydrophobicContact CG-CE 4.32Å; P87-M92 HydrophobicContact CG-CG 4.41Å; P87-W179 HydrophobicContact CB-CH2 4.19Å; P87-W179 HydrophobicContact CB-CZ2 4.29Å
88N63.6Low55.6Low108 Ų10897.4 Ų97.458%0.57849%0.491SS*.  trans-44.1107.7177.1-104.5-16.5000109L86 A90 K91 M92L86-N88 PolarHBondContact O-N 2.79Å; N88-A90 PolarHBondContact O-N 3.33Å; N88-A90 VanDerWaalsContact O-N 3.1Å; N88-K91 HydrophobicContact CB-CB 3.85Å; N88-K91 WeakPolarHBondContact O-CA 3.2Å; N88-K91 WeakPolarHBondContact O-CB 3.17Å; N88-K91 PolarHBondContact O-N 3.04Å; N88-M92 PolarHBondContact O-N 3.01Å; N88-M92 VanDerWaalsContact O-N 3.17Å
89E68.5Low57.8Low136 Ų13691 Ų9164%0.63646%0.461SS*.Hα-helixtrans-53.6-38.6-173.2-69.3178.6170.800111.4P87 K91 M92 D93P87-E89 PolarHBondContact O-N 3.25Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 2.92Å; E89-M92 PolarHBondContact O-N 3.47Å; E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 PolarHBondContact O-N 2.74Å
90A71Confident59.9Low76 Ų7689.1 Ų89.163%0.62845%0.448SS*.Hα-helixtrans-61.3-34.7175.300000113.7N88 R94N88-A90 PolarHBondContact O-N 3.33Å; N88-A90 VanDerWaalsContact O-N 3.1Å; A90-R94 WeakPolarHBondContact O-CB 2.86Å; A90-R94 PolarHBondContact O-N 3.04Å
91K73.9Confident62.3Low9 Ų985.7 Ų85.74%0.03943%0.429CS..Hα-helixtrans-75.9-37.9-180-157.3178.7176.9-175.20110.7N88 E89 L95 W179 S225 D226N88-K91 HydrophobicContact CB-CB 3.85Å; N88-K91 WeakPolarHBondContact O-CA 3.2Å; N88-K91 WeakPolarHBondContact O-CB 3.17Å; N88-K91 PolarHBondContact O-N 3.04Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 2.92Å; K91-L95 PolarHBondContact O-N 2.91Å; K91-W179 VanDerWaalsContact C-CZ3 3.5Å; K91-W179 HydrophobicContact CB-CE3 4.25Å; K91-W179 HydrophobicContact CB-CH2 3.75Å; K91-W179 HydrophobicContact CB-CZ2 4.38Å; K91-W179 HydrophobicContact CB-CZ3 3.71Å; K91-W179 HydrophobicContact CD-CD2 3.48Å; K91-W179 VanDerWaalsContact CD-CD2 3.48Å; K91-W179 HydrophobicContact CD-CE3 3.71Å; K91-W179 HydrophobicContact CD-CG 4Å; K91-W179 HydrophobicContact CD-CH2 3.94Å; K91-W179 HydrophobicContact CD-CZ2 3.78Å; K91-W179 HydrophobicContact CD-CZ3 3.93Å; K91-W179 HydrophobicContact CG-CD2 3.9Å; K91-W179 HydrophobicContact CG-CE3 3.53Å; K91-W179 HydrophobicContact CG-CH2 3.88Å; K91-W179 HydrophobicContact CG-CZ2 4.26Å; K91-W179 HydrophobicContact CG-CZ3 3.53Å; K91-S225 WeakPolarHBondContact CE-O 3.27Å; K91-D226 IonicContact NZ-OD1 3.39Å; K91-D226 PolarHBondContact NZ-OD1 3.07Å; K91-D226 VanDerWaalsContact NZ-OD1 3.07Å
92M74Confident64.5Low45 Ų4575.7 Ų75.722%0.22239%0.386CS..Hα-helixtrans-66.6-46.4171.9-78.7-54.5175.400112.4P87 N88 E89 R94 L95 L96 T176 W179P87-M92 HydrophobicContact CB-CE 3.83Å; P87-M92 HydrophobicContact CB-CG 4.08Å; P87-M92 HydrophobicContact CG-CE 4.32Å; P87-M92 HydrophobicContact CG-CG 4.41Å; N88-M92 PolarHBondContact O-N 3.01Å; N88-M92 VanDerWaalsContact O-N 3.17Å; E89-M92 PolarHBondContact O-N 3.47Å; M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.07Å; M92-L95 PolarHBondContact O-N 3.39Å; M92-L95 VanDerWaalsContact O-N 3.13Å; M92-L96 PolarHBondContact O-N 2.95Å; M92-T176 HydrophobicContact CE-CG2 3.61Å; M92-T176 HydrophobicContact SD-CG2 3.99Å; M92-W179 HydrophobicContact CE-CH2 3.37Å; M92-W179 HydrophobicContact CE-CZ2 4.03Å; M92-W179 HydrophobicContact CE-CZ3 3.73Å; M92-W179 HydrophobicContact CG-CH2 3.76Å; M92-W179 HydrophobicContact CG-CZ3 4Å; M92-W179 HydrophobicContact SD-CH2 3.63Å; M92-W179 HydrophobicContact SD-CZ3 3.49Å; M92-W179 WeakPolarHBondContact SD-CZ3 3.34Å
93D77.3Confident66.5Low61 Ų6173.6 Ų73.633%0.32637%0.366SS..Hα-helixtrans-59.3-41.9175.9-179.327.1000110.9E89 L95 L96 R97E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 PolarHBondContact O-N 2.74Å; D93-L95 PolarHBondContact O-N 3.06Å; D93-L96 PolarHBondContact O-N 3.11Å; D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 2.78Å; D93-R97 IonicContact OD1-CZ 3.82Å; D93-R97 IonicContact OD1-NE 3.07Å; D93-R97 PolarHBondContact OD1-NE 3.23Å; D93-R97 IonicContact OD1-NH2 3.72Å; D93-R97 IonicContact OD2-CZ 3.19Å; D93-R97 IonicContact OD2-NE 3.2Å; D93-R97 PolarHBondContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH2 2.65Å; D93-R97 PolarHBondContact OD2-NH2 3.35Å
94R79.5Confident68.7Low45 Ų4570.7 Ų70.717%0.1736%0.359CS..Hα-helixtrans-60.6-45.1173.5-172.677169.5125.8-2.6112.6A90 M92 L96 R97 I98 N121 D124 L224 G228A90-R94 WeakPolarHBondContact O-CB 2.86Å; A90-R94 PolarHBondContact O-N 3.04Å; M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.07Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.03Å; R94-R97 PolarHBondContact O-N 2.8Å; R94-I98 HydrophobicContact CG-CD1 3.86Å; R94-I98 HydrophobicContact CG-CG1 4.33Å; R94-I98 WeakPolarHBondContact O-CG1 3.33Å; R94-I98 PolarHBondContact O-N 3.34Å; R94-N121 PolarHBondContact NH1-O 2.85Å; R94-N121 PolarHBondContact NH2-O 2.71Å; R94-N121 VanDerWaalsContact NH2-O 3.07Å; R94-D124 IonicContact NH2-OD1 3.22Å; R94-D124 IonicContact NH2-OD2 3.59Å; R94-D124 PolarHBondContact NH2-OD2 3.15Å; R94-L224 HydrophobicContact CG-CD2 4.03Å; R94-G228 WeakPolarHBondContact CD-O 3.49Å; R94-G228 WeakPolarHBondContact CG-O 3.44Å; R94-G228 PolarHBondContact NE-O 2.62Å
95L79.4Confident71Confident6 Ų665.7 Ų65.73%0.03133%0.33CS..Hα-helixtrans-59.9-43.4179.3-177.3149.2000111K91 M92 D93 I98 N99 W179 V181 L224K91-L95 PolarHBondContact O-N 2.91Å; M92-L95 PolarHBondContact O-N 3.39Å; M92-L95 VanDerWaalsContact O-N 3.13Å; D93-L95 PolarHBondContact O-N 3.06Å; L95-I98 PolarHBondContact O-N 2.67Å; L95-N99 PolarHBondContact O-N 3.01Å; L95-W179 HydrophobicContact CD1-CE3 4.05Å; L95-W179 HydrophobicContact CD1-CZ3 4.48Å; L95-V181 HydrophobicContact CD1-CG2 4.45Å; L95-V181 HydrophobicContact CG-CG2 4.1Å; L95-L224 HydrophobicContact CB-CD1 3.87Å; L95-L224 HydrophobicContact CD1-CD1 4.21Å; L95-L224 HydrophobicContact CG-CD1 4.29Å
96L76Confident73Confident26 Ų2657.8 Ų57.814%0.13630%0.297CS..Hα-helixtrans-63.1-42.8175.1-70.7173.6000112.4M92 D93 R94 N99 Q100 T272M92-L96 PolarHBondContact O-N 2.95Å; D93-L96 PolarHBondContact O-N 3.11Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.03Å; L96-N99 PolarHBondContact O-N 3Å; L96-Q100 WeakPolarHBondContact O-CG 3.41Å; L96-Q100 PolarHBondContact O-N 3.23Å; L96-Q100 VanDerWaalsContact O-N 3.12Å; L96-T272 HydrophobicContact CD2-CG2 4.01Å
97R81.3Confident74.5Confident131 Ų13152.4 Ų52.449%0.49427%0.271SS..Hα-helixtrans-62.8-42.6175.4-70.3176.1-164.7-163.33.2111.9D93 R94 N99 Q100 D101D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 2.78Å; D93-R97 IonicContact OD1-CZ 3.82Å; D93-R97 IonicContact OD1-NE 3.07Å; D93-R97 PolarHBondContact OD1-NE 3.23Å; D93-R97 IonicContact OD1-NH2 3.72Å; D93-R97 IonicContact OD2-CZ 3.19Å; D93-R97 IonicContact OD2-NE 3.2Å; D93-R97 PolarHBondContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH2 2.65Å; D93-R97 PolarHBondContact OD2-NH2 3.35Å; R94-R97 PolarHBondContact O-N 2.8Å; R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 3.29Å; R97-Q100 PolarHBondContact O-N 3.47Å; R97-D101 WeakPolarHBondContact O-CB 3.38Å; R97-D101 VanDerWaalsContact O-CG 3.25Å; R97-D101 PolarHBondContact O-N 3.42Å
98I81.7Confident75.4Confident0 Ų052.3 Ų52.30%027%0.266CS..Hα-helixtrans-61-43.9177.6-74.3169.9000110.8R94 L95 Q100 D101 I102 V181 L224 I230R94-I98 HydrophobicContact CG-CD1 3.86Å; R94-I98 HydrophobicContact CG-CG1 4.33Å; R94-I98 WeakPolarHBondContact O-CG1 3.33Å; R94-I98 PolarHBondContact O-N 3.34Å; L95-I98 PolarHBondContact O-N 2.67Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.11Å; I98-D101 PolarHBondContact O-N 3.48Å; I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.42Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 2.65Å; I98-V181 HydrophobicContact CG2-CG2 4.22Å; I98-L224 HydrophobicContact CD1-CD1 4.17Å; I98-L224 HydrophobicContact CD1-CD2 3.32Å; I98-L224 HydrophobicContact CD1-CG 4.05Å; I98-I230 HydrophobicContact CD1-CD1 3.82Å; I98-I230 HydrophobicContact CD1-CG1 3.68Å; I98-I230 HydrophobicContact CG1-CD1 4.2Å
99N77.2Confident76Confident4 Ų448.9 Ų48.92%0.02125%0.246CC..Hα-helixtrans-57.8-46.9175-74.7-25.5000111.8L95 L96 R97 I102 E103 I172 S174 V181L95-N99 PolarHBondContact O-N 3.01Å; L96-N99 PolarHBondContact O-N 3Å; R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 3.29Å; N99-I102 PolarHBondContact O-N 3.41Å; N99-E103 WeakPolarHBondContact O-CG 3.44Å; N99-E103 PolarHBondContact O-N 2.81Å; N99-I172 WeakPolarHBondContact OD1-CG2 3.46Å; N99-S174 PolarHBondContact ND2-OG 3.5Å; N99-S174 PolarHBondContact OD1-OG 3.26Å; N99-S174 VanDerWaalsContact OD1-OG 3.13Å; N99-V181 WeakPolarHBondContact OD1-CG1 3.24Å
100Q76.5Confident76.3Confident99 Ų9943.7 Ų43.746%0.46322%0.222SC..Hα-helixtrans-62.6-47177.2-68.9173.69.400111.9L96 R97 I98 I102 E103 D104L96-Q100 WeakPolarHBondContact O-CG 3.41Å; L96-Q100 PolarHBondContact O-N 3.23Å; L96-Q100 VanDerWaalsContact O-N 3.12Å; R97-Q100 PolarHBondContact O-N 3.47Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.11Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 3.12Å; Q100-E103 PolarHBondContact O-N 3.13Å; Q100-D104 WeakPolarHBondContact O-CB 3.34Å; Q100-D104 PolarHBondContact O-N 3.44Å
101D79.5Confident76.2Confident26 Ų2647.4 Ų47.414%0.13923%0.226CC..Hα-helixtrans-60.3-38.7177.8-71.3-46000111.2R97 I98 E105 N121 L122R97-D101 WeakPolarHBondContact O-CB 3.38Å; R97-D101 VanDerWaalsContact O-CG 3.25Å; R97-D101 PolarHBondContact O-N 3.42Å; I98-D101 PolarHBondContact O-N 3.48Å; D101-E105 WeakPolarHBondContact O-CB 3.37Å; D101-E105 WeakPolarHBondContact O-CG 3.43Å; D101-E105 PolarHBondContact O-N 3.18Å; D101-N121 HydrophobicContact CB-CB 4.36Å; D101-N121 VanDerWaalsContact CG-CB 3.49Å; D101-N121 PolarHBondContact OD1-ND2 3.01Å; D101-N121 WeakPolarHBondContact OD2-CB 3.47Å; D101-L122 HydrophobicContact CB-CD2 3.87Å; D101-L122 HydrophobicContact CB-CG 4.28Å
102I77.6Confident76.1Confident0 Ų048.9 Ų48.90%023%0.232CC..Hα-helixtrans-65.7-46.4176.1-70.9160.5000110.6I98 N99 Q100 D104 L106 L122 L169 I172 V181 V183 F222I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.42Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 2.65Å; N99-I102 PolarHBondContact O-N 3.41Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 3.12Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.92Å; I102-L106 HydrophobicContact CG2-CB 4.47Å; I102-L106 HydrophobicContact CG2-CD2 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 PolarHBondContact O-N 3.2Å; I102-L106 VanDerWaalsContact O-N 3.12Å; I102-L122 HydrophobicContact CG1-CD2 3.61Å; I102-L169 HydrophobicContact CG2-CD1 4.17Å; I102-I172 HydrophobicContact CB-CD1 4.38Å; I102-I172 HydrophobicContact CG2-CD1 3.78Å; I102-I172 HydrophobicContact CG2-CG1 4.32Å; I102-V181 HydrophobicContact CD1-CG1 3.83Å; I102-V183 HydrophobicContact CD1-CG2 3.7Å; I102-V183 HydrophobicContact CG1-CG2 4.42Å; I102-V183 HydrophobicContact CG2-CB 4.5Å; I102-V183 HydrophobicContact CG2-CG1 3.9Å; I102-V183 HydrophobicContact CG2-CG2 3.76Å; I102-F222 HydrophobicContact CD1-CD2 3.95Å; I102-F222 HydrophobicContact CD1-CE2 3.82Å; I102-F222 HydrophobicContact CD1-CG 4.49Å; I102-F222 HydrophobicContact CD1-CZ 4.22Å; I102-F222 HydrophobicContact CG1-CE2 4.3Å; I102-F222 HydrophobicContact CG1-CZ 4.3Å
103E73.2Confident75.6Confident43 Ų4350.1 Ų50.120%0.20124%0.243CC..Hα-helixtrans-61.7-39.5179.1-74.4-176.9173.300112.4N99 Q100 P107 L169 I172N99-E103 WeakPolarHBondContact O-CG 3.44Å; N99-E103 PolarHBondContact O-N 2.81Å; Q100-E103 PolarHBondContact O-N 3.13Å; E103-P107 VanDerWaalsContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CD 3.49Å; E103-P107 VanDerWaalsContact O-CG 3.31Å; E103-P107 WeakPolarHBondContact O-CG 3.23Å; E103-L169 HydrophobicContact CG-CD2 4.15Å; E103-I172 HydrophobicContact CG-CD1 3.38Å
104D73.8Confident74.8Confident107 Ų10750.2 Ų50.257%0.57224%0.243SC*.Hα-helixtrans-81.8-42.8-176.7-72.8-22.5000112.2Q100 I102 L108Q100-D104 WeakPolarHBondContact O-CB 3.34Å; Q100-D104 PolarHBondContact O-N 3.44Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.92Å; D104-L108 WeakPolarHBondContact O-CD1 3.49Å; D104-L108 WeakPolarHBondContact O-CG 2.95Å
105E76.5Confident73.8Confident51 Ų5153.8 Ų53.824%0.23826%0.26CS..Hα-helixtrans-95.6-30.7-167.7-65.3-78.9-132.900114.6D101 L108 K112 P119 L122D101-E105 WeakPolarHBondContact O-CB 3.37Å; D101-E105 WeakPolarHBondContact O-CG 3.43Å; D101-E105 PolarHBondContact O-N 3.18Å; E105-L108 PolarHBondContact O-N 3.24Å; E105-K112 IonicContact OE1-NZ 2.64Å; E105-K112 PolarHBondContact OE1-NZ 3.34Å; E105-K112 WeakPolarHBondContact OE2-CE 3.21Å; E105-K112 IonicContact OE2-NZ 3.78Å; E105-K112 PolarHBondContact OE2-NZ 2.79Å; E105-P119 HydrophobicContact CB-CB 4.01Å; E105-P119 HydrophobicContact CB-CG 3.89Å; E105-P119 HydrophobicContact CG-CB 3.95Å; E105-P119 HydrophobicContact CG-CG 4.33Å; E105-L122 HydrophobicContact CB-CD1 4.09Å
106L76.7Confident73.2Confident27 Ų2757 Ų5714%0.14128%0.277CS..SBendtrans-67.8-42.1-176.1-161.473.1000112.5I102 L108 F109 L167 L169 V183 F185I102-L106 HydrophobicContact CG2-CB 4.47Å; I102-L106 HydrophobicContact CG2-CD2 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 PolarHBondContact O-N 3.2Å; I102-L106 VanDerWaalsContact O-N 3.12Å; L106-L108 PolarHBondContact O-N 3.12Å; L106-F109 WeakPolarHBondContact O-CB 3.23Å; L106-F109 PolarHBondContact O-N 3.39Å; L106-F109 VanDerWaalsContact O-N 3.11Å; L106-L167 HydrophobicContact CB-CD2 4.41Å; L106-L167 HydrophobicContact CD1-CD1 4.19Å; L106-L167 HydrophobicContact CD2-CD2 3.81Å; L106-L167 HydrophobicContact CG-CD1 3.94Å; L106-L167 HydrophobicContact CG-CD2 3.63Å; L106-L167 HydrophobicContact CG-CG 4.46Å; L106-L169 HydrophobicContact CD2-CD1 3.99Å; L106-V183 HydrophobicContact CD2-CG1 3.96Å; L106-F185 HydrophobicContact CD2-CB 4.09Å; L106-F185 HydrophobicContact CD2-CD1 3.94Å; L106-F185 HydrophobicContact CD2-CG 4.02Å
107P74.3Confident72.5Confident34 Ų3460.6 Ų60.622%0.22129%0.293CS..G310 helixtrans-60.4-30.6175.3-25.136.8000113.2E103 F109E103-P107 VanDerWaalsContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CD 3.49Å; E103-P107 VanDerWaalsContact O-CG 3.31Å; E103-P107 WeakPolarHBondContact O-CG 3.23Å; P107-F109 PolarHBondContact O-N 3.45Å
108L72.7Confident71.7Confident64 Ų6455.5 Ų55.534%0.33528%0.276SS..G310 helixtrans-79.64.5180-56.6177.1000113.2D104 E105 L106 F110 E111 K112D104-L108 WeakPolarHBondContact O-CD1 3.49Å; D104-L108 WeakPolarHBondContact O-CG 2.95Å; E105-L108 PolarHBondContact O-N 3.24Å; L106-L108 PolarHBondContact O-N 3.12Å; L108-F110 VanDerWaalsContact C-N 3.28Å; L108-F110 PolarHBondContact O-N 2.99Å; L108-F110 VanDerWaalsContact O-N 3.15Å; L108-E111 WeakPolarHBondContact CD2-OE2 3.44Å; L108-E111 PolarHBondContact O-N 3.45Å; L108-K112 PolarHBondContact O-N 3.06Å
109F75.6Confident70.9Confident37 Ų3756.3 Ų56.316%0.16228%0.281CS..G310 helixtrans-53.7-40.7-172.1-179.5-95.4000114.2L106 P107 V151 R155 L167L106-F109 WeakPolarHBondContact O-CB 3.23Å; L106-F109 PolarHBondContact O-N 3.39Å; L106-F109 VanDerWaalsContact O-N 3.11Å; P107-F109 PolarHBondContact O-N 3.45Å; F109-V151 HydrophobicContact CE2-CG1 3.76Å; F109-V151 HydrophobicContact CE2-CG2 4.43Å; F109-V151 HydrophobicContact CZ-CG1 4.01Å; F109-R155 HydrophobicContact CD1-CG 4.42Å; F109-R155 HydrophobicContact CE1-CG 3.73Å; F109-R155 HydrophobicContact CZ-CG 3.89Å; F109-R155 PolarHBondContact O-NE 3.4Å; F109-R155 PolarHBondContact O-NH2 2.9Å; F109-L167 HydrophobicContact CB-CB 4.49Å; F109-L167 HydrophobicContact CB-CD1 3.86Å; F109-L167 HydrophobicContact CD1-CD1 4.44Å; F109-L167 HydrophobicContact CG-CD1 4.17Å
110F74.6Confident70.3Confident27 Ų2763 Ų6312%0.11831%0.31CS..G310 helixtrans-91-15.8178.8-66.6-62.5000114.1L108 F158 R165 L167 I187L108-F110 VanDerWaalsContact C-N 3.28Å; L108-F110 PolarHBondContact O-N 2.99Å; L108-F110 VanDerWaalsContact O-N 3.15Å; F110-F158 HydrophobicContact CE1-CB 3.77Å; F110-F158 AromaticContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CG 4.11Å; F110-F158 HydrophobicContact CZ-CB 4.12Å; F110-F158 AromaticContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CE2 4.47Å; F110-F158 HydrophobicContact CZ-CG 4.06Å; F110-R165 HydrophobicContact CB-CG 4.11Å; F110-R165 HydrophobicContact CD1-CG 4.06Å; F110-R165 HydrophobicContact CD2-CB 4.35Å; F110-R165 HydrophobicContact CD2-CG 4.14Å; F110-R165 HydrophobicContact CE2-CB 4.47Å; F110-R165 HydrophobicContact CG-CG 3.84Å; F110-L167 HydrophobicContact CD2-CB 4.23Å; F110-L167 HydrophobicContact CE2-CB 4.16Å; F110-I187 HydrophobicContact CE2-CG1 4.38Å; F110-I187 HydrophobicContact CE2-CG2 3.81Å; F110-I187 HydrophobicContact CZ-CD1 4.2Å; F110-I187 HydrophobicContact CZ-CG1 4.45Å; F110-I187 HydrophobicContact CZ-CG2 3.77Å
111E69.9Low69.9Low154 Ų15462.2 Ų62.272%0.7231%0.309SS*.THydrogen-bonded Turntrans-77.9-28.7175.5-61.2-173.6-17100111.4L108L108-E111 WeakPolarHBondContact CD2-OE2 3.44Å; L108-E111 PolarHBondContact O-N 3.45Å
112K69.8Low69.5Low39 Ų3961.6 Ų61.617%0.1731%0.306CS..SBendtrans-67.7144.3171.9-70.5-174.9179.3-168.90110.9E105 L108 N116E105-K112 IonicContact OE1-NZ 2.64Å; E105-K112 PolarHBondContact OE1-NZ 3.34Å; E105-K112 WeakPolarHBondContact OE2-CE 3.21Å; E105-K112 IonicContact OE2-NZ 3.78Å; E105-K112 PolarHBondContact OE2-NZ 2.79Å; L108-K112 PolarHBondContact O-N 3.06Å; K112-N116 HydrophobicContact CB-CB 4.04Å
113T63.6Low69.5Low71 Ų7162.7 Ų62.744%0.43631%0.311SS..  trans-61.6159.7-179.680.10000111.5F115 N116 R155T113-F115 PolarHBondContact O-N 3.35Å; T113-F115 VanDerWaalsContact O-N 3.13Å; T113-N116 PolarHBondContact N-ND2 3.33Å; T113-N116 PolarHBondContact O-N 2.99Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 WeakPolarHBondContact OG1-CB 3.44Å; T113-N116 PolarHBondContact OG1-N 3.13Å; T113-N116 PolarHBondContact OG1-OD1 2.99Å; T113-R155 PolarHBondContact O-NH1 3.46Å
114L60.7Low69.9Low63 Ų6362.4 Ų62.433%0.3331%0.311SS..THydrogen-bonded Turntrans-49.1-44.8179.7-70.3176000112.2V152 R155L114-V152 WeakPolarHBondContact O-CG2 3.43Å; L114-R155 HydrophobicContact CD2-CB 3.65Å; L114-R155 PolarHBondContact O-NH1 3.24Å
115F58.8Low70Confident120 Ų12061.2 Ų61.253%0.52631%0.311SS..THydrogen-bonded Turntrans-100.64.3-176.5-56.1-75000114.2L5 T113 E117 V152L5-F115 HydrophobicContact CB-CE2 4.45Å; L5-F115 HydrophobicContact CB-CZ 4.46Å; L5-F115 HydrophobicContact CD1-CZ 4.36Å; T113-F115 PolarHBondContact O-N 3.35Å; T113-F115 VanDerWaalsContact O-N 3.13Å; F115-E117 PolarHBondContact O-N 2.97Å; F115-V152 HydrophobicContact CD1-CG1 4.13Å; F115-V152 HydrophobicContact CD1-CG2 4.19Å; F115-V152 HydrophobicContact CE1-CG1 3.89Å
116N66.3Low70.2Confident75 Ų7563.9 Ų63.940%0.40133%0.327SS..PPolyproline II helixtrans-58.1138.6175.8-95.511.6000109.5K112 T113 L118 R155K112-N116 HydrophobicContact CB-CB 4.04Å; T113-N116 PolarHBondContact N-ND2 3.33Å; T113-N116 PolarHBondContact O-N 2.99Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 WeakPolarHBondContact OG1-CB 3.44Å; T113-N116 PolarHBondContact OG1-N 3.13Å; T113-N116 PolarHBondContact OG1-OD1 2.99Å; N116-L118 PolarHBondContact O-N 2.86Å; N116-R155 PolarHBondContact O-NH1 2.9Å; N116-R155 VanDerWaalsContact O-NH1 3.15Å
117E62.2Low70.5Confident100 Ų10062.6 Ų62.647%0.46732%0.321SS..PPolyproline II helixtrans-48.7138178.5-62.3-174153.500110F115 K120F115-E117 PolarHBondContact O-N 2.97Å; E117-K120 WeakPolarHBondContact OE2-CE 3.38Å; E117-K120 IonicContact OE2-NZ 3.06Å; E117-K120 PolarHBondContact OE2-NZ 3Å
118L65.2Low71.1Confident25 Ų2561.5 Ų61.513%0.13131%0.313CS..PPolyproline II helixtrans-52.3144.9165.4-104131000108.2N116 K120 L123 I147 R148 V151N116-L118 PolarHBondContact O-N 2.86Å; L118-K120 PolarHBondContact O-N 2.83Å; L118-L123 HydrophobicContact CB-CD1 3.99Å; L118-L123 HydrophobicContact CD1-CD1 3.66Å; L118-L123 HydrophobicContact CD2-CD1 3.34Å; L118-L123 HydrophobicContact CD2-CG 3.98Å; L118-L123 HydrophobicContact CG-CD1 3.81Å; L118-I147 HydrophobicContact CD1-CG2 4.01Å; L118-R148 HydrophobicContact CD1-CB 4.12Å; L118-R148 HydrophobicContact CD1-CG 3.55Å; L118-V151 HydrophobicContact CD1-CB 4.23Å; L118-V151 HydrophobicContact CD1-CG2 3.8Å; L118-V151 HydrophobicContact CD2-CG2 3.91Å; L118-V151 HydrophobicContact CG-CG2 3.98Å
119P64Low71.7Confident17 Ų1759 Ų5911%0.1130%0.3CS..  trans-53.4113.3174.8-19.131.2000107.9E105 N121 L122E105-P119 HydrophobicContact CB-CB 4.01Å; E105-P119 HydrophobicContact CB-CG 3.89Å; E105-P119 HydrophobicContact CG-CB 3.95Å; E105-P119 HydrophobicContact CG-CG 4.33Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-L122 HydrophobicContact CB-CB 4.17Å; P119-L122 HydrophobicContact CB-CD1 3.75Å; P119-L122 HydrophobicContact CB-CG 4Å; P119-L122 HydrophobicContact CG-CD1 3.77Å; P119-L122 PolarHBondContact O-N 3.39Å
120K65Low72.2Confident145 Ų14560.9 Ų60.963%0.6331%0.307SS*.THydrogen-bonded Turntrans-57.6-24.3-171.8-70-176.4-179.3173.70112.1E117 L118E117-K120 WeakPolarHBondContact OE2-CE 3.38Å; E117-K120 IonicContact OE2-NZ 3.06Å; E117-K120 PolarHBondContact OE2-NZ 3Å; L118-K120 PolarHBondContact O-N 2.83Å
121N67.8Low72.5Confident82 Ų8262 Ų6244%0.43931%0.311SS..THydrogen-bonded Turntrans-83.9-18.9-176.7-55.1-10.4000113.3R94 D101 P119R94-N121 PolarHBondContact NH1-O 2.85Å; R94-N121 PolarHBondContact NH2-O 2.71Å; R94-N121 VanDerWaalsContact NH2-O 3.07Å; D101-N121 HydrophobicContact CB-CB 4.36Å; D101-N121 VanDerWaalsContact CG-CB 3.49Å; D101-N121 PolarHBondContact OD1-ND2 3.01Å; D101-N121 WeakPolarHBondContact OD2-CB 3.47Å; P119-N121 PolarHBondContact O-N 2.93Å
122L71.6Confident72.8Confident13 Ų1358.9 Ų58.97%0.06830%0.296CS..SBendtrans-92.9-7.2-176.3-70.3176.8000114D101 I102 E105 P119 I230D101-L122 HydrophobicContact CB-CD2 3.87Å; D101-L122 HydrophobicContact CB-CG 4.28Å; I102-L122 HydrophobicContact CG1-CD2 3.61Å; E105-L122 HydrophobicContact CB-CD1 4.09Å; P119-L122 HydrophobicContact CB-CB 4.17Å; P119-L122 HydrophobicContact CB-CD1 3.75Å; P119-L122 HydrophobicContact CB-CG 4Å; P119-L122 HydrophobicContact CG-CD1 3.77Å; P119-L122 PolarHBondContact O-N 3.39Å; L122-I230 WeakPolarHBondContact O-CD1 3.38Å
123L78.1Confident72.8Confident22 Ų2263 Ų6312%0.11531%0.311CS..  trans-135.4124.8175.8-68.3179.3000110.4L118 T127 I147 I233L118-L123 HydrophobicContact CB-CD1 3.99Å; L118-L123 HydrophobicContact CD1-CD1 3.66Å; L118-L123 HydrophobicContact CD2-CD1 3.34Å; L118-L123 HydrophobicContact CD2-CG 3.98Å; L118-L123 HydrophobicContact CG-CD1 3.81Å; L123-T127 HydrophobicContact CD2-CG2 3.82Å; L123-I147 HydrophobicContact CD1-CB 4.28Å; L123-I147 HydrophobicContact CD1-CG2 3.54Å; L123-I147 HydrophobicContact CD2-CD1 4.4Å; L123-I147 HydrophobicContact CD2-CG2 4.26Å; L123-I233 HydrophobicContact CD2-CD1 3.54Å
124D80.7Confident72.9Confident37 Ų3769.1 Ų69.120%0.19833%0.326CS..  trans-88.6159.8165.8-71.9-59.6000109.8R94 D126 T127 K229 I230R94-D124 IonicContact NH2-OD1 3.22Å; R94-D124 IonicContact NH2-OD2 3.59Å; R94-D124 PolarHBondContact NH2-OD2 3.15Å; D124-D126 PolarHBondContact O-N 3.08Å; D124-T127 PolarHBondContact N-OG1 2.91Å; D124-T127 WeakPolarHBondContact O-CB 3.45Å; D124-T127 PolarHBondContact O-N 3.47Å; D124-T127 PolarHBondContact O-OG1 3.39Å; D124-K229 HydrophobicContact CB-CB 4.26Å; D124-K229 VanDerWaalsContact OD2-CA 3.27Å; D124-K229 WeakPolarHBondContact OD2-CA 3.34Å; D124-I230 PolarHBondContact OD2-N 3.47Å
125S75.2Confident73.2Confident83 Ų8372 Ų7258%0.5834%0.341SS*.THydrogen-bonded Turntrans-54.1-31.8-175.552.70000114
126D81.1Confident73.5Confident106 Ų10668.2 Ų68.257%0.56734%0.337SS*.THydrogen-bonded Turntrans-100.44.8-175.5-60.3-46.5000113.5D124 V128D124-D126 PolarHBondContact O-N 3.08Å; D126-V128 PolarHBondContact O-N 2.9Å
127T83.4Confident73.7Confident1 Ų166.6 Ų66.61%0.00633%0.331CS..  trans-61.3130.9-178.5-570000111.1L123 D124 I147 I230 I233L123-T127 HydrophobicContact CD2-CG2 3.82Å; D124-T127 PolarHBondContact N-OG1 2.91Å; D124-T127 WeakPolarHBondContact O-CB 3.45Å; D124-T127 PolarHBondContact O-N 3.47Å; D124-T127 PolarHBondContact O-OG1 3.39Å; T127-I147 WeakPolarHBondContact O-CD1 3.07Å; T127-I230 WeakPolarHBondContact CA-O 3.22Å; T127-I230 WeakPolarHBondContact CB-O 3.11Å; T127-I230 HydrophobicContact CG2-CG2 3.87Å; T127-I230 PolarHBondContact OG1-O 3Å; T127-I233 HydrophobicContact CG2-CD1 3.84Å; T127-I233 HydrophobicContact CG2-CG1 3.84Å
128V86.9Confident74.5Confident11 Ų1166 Ų667%0.06733%0.334CS..EExtended strand (participates in β ladder)trans-105.2125.1174.3-179.50000109.6D126 Y130 R140 K142 N231 A232 I233D126-V128 PolarHBondContact O-N 2.9Å; V128-Y130 HydrophobicContact CB-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CD2 4.14Å; V128-Y130 HydrophobicContact CG1-CE1 4.22Å; V128-Y130 HydrophobicContact CG1-CE2 3.52Å; V128-R140 HydrophobicContact CG1-CG 3.45Å; V128-R140 VanDerWaalsContact CG1-CG 3.45Å; V128-K142 HydrophobicContact CG2-CG 4.28Å; V128-N231 PolarHBondContact N-O 2.73Å; V128-A232 CarbonylContact O-C 3.59Å; V128-A232 WeakPolarHBondContact O-CA 3.49Å; V128-I233 PolarHBondContact O-N 2.88Å
129V85.2Confident75.1Confident11 Ų1165.8 Ų65.87%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-97.4120.3176.4178.30000109.7L141 I147 L150 I233V129-L141 HydrophobicContact CB-CB 4.43Å; V129-L141 PolarHBondContact N-O 2.93Å; V129-L141 PolarHBondContact O-N 3.1Å; V129-I147 HydrophobicContact CB-CG1 4.26Å; V129-I147 HydrophobicContact CG2-CB 4.45Å; V129-I147 HydrophobicContact CG2-CD1 3.67Å; V129-I147 HydrophobicContact CG2-CG1 3.68Å; V129-I147 HydrophobicContact CG2-CG2 3.91Å; V129-L150 HydrophobicContact CG1-CD2 4.45Å; V129-I233 CarbonylContact C-O 3.57Å; V129-I233 WeakPolarHBondContact CA-O 3.14Å; V129-I233 HydrophobicContact CG2-CB 4.33Å
130Y85.8Confident76.2Confident76 Ų7672.3 Ų72.330%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-99.9121.2170.3-61.2-87.8000108.4V128 V138 C139 R140 A232 I233 K234 L235V128-Y130 HydrophobicContact CB-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CD2 4.14Å; V128-Y130 HydrophobicContact CG1-CE1 4.22Å; V128-Y130 HydrophobicContact CG1-CE2 3.52Å; Y130-V138 HydrophobicContact CD1-CG1 4.06Å; Y130-C139 CarbonylContact C-O 3.6Å; Y130-C139 WeakPolarHBondContact CA-O 3.08Å; Y130-R140 HydrophobicContact CD1-CB 4.22Å; Y130-R140 HydrophobicContact CD1-CG 4.21Å; Y130-R140 HydrophobicContact CE1-CB 4.14Å; Y130-R140 HydrophobicContact CE1-CG 3.78Å; Y130-A232 HydrophobicContact CD2-CB 4.16Å; Y130-A232 HydrophobicContact CE2-CB 3.83Å; Y130-I233 PolarHBondContact N-O 3.5Å; Y130-K234 CarbonylContact O-C 3.6Å; Y130-K234 WeakPolarHBondContact O-CA 3.39Å; Y130-L235 PolarHBondContact O-N 3.19Å
131Y81.5Confident77Confident51 Ų5166.7 Ų66.720%0.233%0.334CS..EExtended strand (participates in β ladder)trans-121.6133.9173.971.1-90000110.8R133 C139 L141 L235Y131-R133 HydrophobicContact CD2-CG 4.3Å; Y131-R133 HydrophobicContact CE2-CG 3.82Å; Y131-R133 PolarHBondContact OH-NH2 3.39Å; Y131-C139 HydrophobicContact CD1-CB 3.8Å; Y131-C139 HydrophobicContact CD2-CB 4.11Å; Y131-C139 HydrophobicContact CE1-CB 3.26Å; Y131-C139 HydrophobicContact CE2-CB 3.61Å; Y131-C139 HydrophobicContact CG-CB 4.2Å; Y131-C139 PolarHBondContact N-O 3.15Å; Y131-C139 PolarHBondContact O-N 3.42Å; Y131-C139 WeakPolarHBondContact OH-CB 3.33Å; Y131-L141 HydrophobicContact CD1-CD1 3.99Å; Y131-L141 HydrophobicContact CD1-CG 4.18Å; Y131-L141 HydrophobicContact CE1-CD1 3.74Å; Y131-L141 HydrophobicContact CE1-CD2 4.27Å; Y131-L141 HydrophobicContact CE1-CG 3.78Å; Y131-L235 WeakPolarHBondContact CA-O 3.41Å
132E75.7Confident77.8Confident89 Ų8969.1 Ų69.142%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-84.1127.2177.2-170.9177.6-175.400110.4L235 T236E132-L235 PolarHBondContact N-O 3.47Å; E132-T236 HydrophobicContact CB-CG2 4.34Å; E132-T236 VanDerWaalsContact OE2-CG2 3.31Å; E132-T236 WeakPolarHBondContact OE2-CG2 3.34Å
133R69.5Low78Confident125 Ų12569.7 Ų69.747%0.47235%0.349SS..  trans-84.2162171.8-70.1-172.9179.5171.25.3110.3Y131 N135 G136 S137 C139Y131-R133 HydrophobicContact CD2-CG 4.3Å; Y131-R133 HydrophobicContact CE2-CG 3.82Å; Y131-R133 PolarHBondContact OH-NH2 3.39Å; R133-N135 WeakPolarHBondContact CB-OD1 3.42Å; R133-N135 PolarHBondContact O-N 3.21Å; R133-G136 WeakPolarHBondContact O-CA 3.15Å; R133-G136 PolarHBondContact O-N 2.91Å; R133-S137 WeakPolarHBondContact CB-O 3.41Å; R133-S137 WeakPolarHBondContact CD-OG 3.16Å; R133-S137 PolarHBondContact N-O 3Å; R133-C139 PolarHBondContact NE-SG 3.1Å; R133-C139 PolarHBondContact NH2-SG 3.01Å; R133-C139 VanDerWaalsContact NH2-SG 3.42Å
134R66.1Low78.1Confident200 Ų20072.8 Ų72.876%0.75536%0.363SS*.THydrogen-bonded Turntrans-56.6-25178-70.6-176176.4-168.4-5114.9G136R134-G136 PolarHBondContact O-N 2.82Å
135N67.9Low78Confident122 Ų12274.9 Ų74.965%0.65238%0.381SS*.THydrogen-bonded Turntrans-84.68.3176.265.4-17.4000112.8R133 S137R133-N135 WeakPolarHBondContact CB-OD1 3.42Å; R133-N135 PolarHBondContact O-N 3.21Å; N135-S137 PolarHBondContact ND2-OG 2.73Å; N135-S137 PolarHBondContact O-N 3.2Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 2.96Å; N135-S137 VanDerWaalsContact OD1-N 3.11Å; N135-S137 PolarHBondContact OD1-OG 3.26Å
136G64.8Low78.2Confident42 Ų4278.7 Ų78.743%0.43338%0.383SS..SBendtrans77.1-3.8-175.500000114.5R133 R134 V138R133-G136 WeakPolarHBondContact O-CA 3.15Å; R133-G136 PolarHBondContact O-N 2.91Å; R134-G136 PolarHBondContact O-N 2.82Å; G136-V138 PolarHBondContact O-N 3.15Å
137S71Confident78Confident41 Ų4174 Ų7429%0.28736%0.358SS..PPolyproline II helixtrans-73.3126.4179.275.80000109.8R133 N135R133-S137 WeakPolarHBondContact CB-O 3.41Å; R133-S137 WeakPolarHBondContact CD-OG 3.16Å; R133-S137 PolarHBondContact N-O 3Å; N135-S137 PolarHBondContact ND2-OG 2.73Å; N135-S137 PolarHBondContact O-N 3.2Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 2.96Å; N135-S137 VanDerWaalsContact OD1-N 3.11Å; N135-S137 PolarHBondContact OD1-OG 3.26Å
138V77.4Confident77.7Confident87 Ų8778.3 Ų78.353%0.52737%0.374SS..EExtended strand (participates in β ladder)trans-86.3123.8174.8-177.30000109.6Y130 G136Y130-V138 HydrophobicContact CD1-CG1 4.06Å; G136-V138 PolarHBondContact O-N 3.15Å
139C78.9Confident77Confident21 Ų2180.2 Ų80.214%0.14239%0.39CS..EExtended strand (participates in β ladder)trans-102.1138174.9-71.10000110.6Y130 Y131 R133Y130-C139 CarbonylContact C-O 3.6Å; Y130-C139 WeakPolarHBondContact CA-O 3.08Å; Y131-C139 HydrophobicContact CD1-CB 3.8Å; Y131-C139 HydrophobicContact CD2-CB 4.11Å; Y131-C139 HydrophobicContact CE1-CB 3.26Å; Y131-C139 HydrophobicContact CE2-CB 3.61Å; Y131-C139 HydrophobicContact CG-CB 4.2Å; Y131-C139 PolarHBondContact N-O 3.15Å; Y131-C139 PolarHBondContact O-N 3.42Å; Y131-C139 WeakPolarHBondContact OH-CB 3.33Å; R133-C139 PolarHBondContact NE-SG 3.1Å; R133-C139 PolarHBondContact NH2-SG 3.01Å; R133-C139 VanDerWaalsContact NH2-SG 3.42Å
140R87.6Confident76.7Confident153 Ų15382 Ų8258%0.57740%0.399SS*.EExtended strand (participates in β ladder)trans-105.8124.4179.4-174.1-175.5-179.6-175.84109.8V128 Y130V128-R140 HydrophobicContact CG1-CG 3.45Å; V128-R140 VanDerWaalsContact CG1-CG 3.45Å; Y130-R140 HydrophobicContact CD1-CB 4.22Å; Y130-R140 HydrophobicContact CD1-CG 4.21Å; Y130-R140 HydrophobicContact CE1-CB 4.14Å; Y130-R140 HydrophobicContact CE1-CG 3.78Å
141L81Confident76.3Confident27 Ų2779.2 Ų79.214%0.14139%0.39CS..EExtended strand (participates in β ladder)trans-111.3125.2169.1-61.6174.5000108.5V129 Y131 W146 L150V129-L141 HydrophobicContact CB-CB 4.43Å; V129-L141 PolarHBondContact N-O 2.93Å; V129-L141 PolarHBondContact O-N 3.1Å; Y131-L141 HydrophobicContact CD1-CD1 3.99Å; Y131-L141 HydrophobicContact CD1-CG 4.18Å; Y131-L141 HydrophobicContact CE1-CD1 3.74Å; Y131-L141 HydrophobicContact CE1-CD2 4.27Å; Y131-L141 HydrophobicContact CE1-CG 3.78Å; L141-W146 HydrophobicContact CB-CB 4.43Å; L141-W146 HydrophobicContact CD2-CB 4.38Å; L141-L150 HydrophobicContact CD1-CB 3.95Å; L141-L150 HydrophobicContact CD1-CD1 4.38Å; L141-L150 HydrophobicContact CD1-CD2 3.72Å; L141-L150 HydrophobicContact CD1-CG 4.22Å
142K83.9Confident75.9Confident134 Ų13478.6 Ų78.658%0.58339%0.391SS*.EExtended strand (participates in β ladder)trans-119.1135.4174.4-175177.3-179.4-176.40108.4V128V128-K142 HydrophobicContact CG2-CG 4.28Å
143G76.7Confident75.9Confident24 Ų2477 Ų7725%0.24739%0.394CS..SBendtrans99.8136.8178.500000112.4S145 W146 I147G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 2.99Å; G143-W146 PolarHBondContact O-N 2.71Å; G143-I147 WeakPolarHBondContact O-CG1 3.34Å; G143-I147 PolarHBondContact O-N 2.95Å
144E79.7Confident76.4Confident87 Ų8772.7 Ų72.741%0.40738%0.382SS..Hα-helixtrans-58.4-36.1-174.5-164.9-172.3170.600112.9W146 I147 R148E144-W146 PolarHBondContact O-N 3.45Å; E144-I147 PolarHBondContact O-N 3.2Å; E144-R148 HydrophobicContact CG-CG 4.35Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.84Å; E144-R148 PolarHBondContact OE1-NE 3.44Å; E144-R148 IonicContact OE1-NH2 3.07Å; E144-R148 PolarHBondContact OE1-NH2 3.13Å; E144-R148 IonicContact OE2-NH2 3.1Å
145S78.3Confident76.9Confident82 Ų8263.4 Ų63.457%0.57335%0.347SS*.Hα-helixtrans-61.1-43.4178.454.40000112.8G143 A149G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 2.99Å; S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 2.83Å
146W80.5Confident77.2Confident163 Ų16359.2 Ų59.262%0.61733%0.33SS*.Hα-helixtrans-68.7-38176.9-73.1109.8000112L141 G143 E144 A149 L150L141-W146 HydrophobicContact CB-CB 4.43Å; L141-W146 HydrophobicContact CD2-CB 4.38Å; G143-W146 PolarHBondContact O-N 2.71Å; E144-W146 PolarHBondContact O-N 3.45Å; W146-A149 PolarHBondContact O-N 3.1Å; W146-L150 PolarHBondContact O-N 3.34Å
147I76.1Confident77.8Confident8 Ų861 Ų614%0.04132%0.324CS..Hα-helixtrans-68-43.6177-58.8165.7000110.3L118 L123 T127 V129 G143 E144 A149 L150 V151L118-I147 HydrophobicContact CD1-CG2 4.01Å; L123-I147 HydrophobicContact CD1-CB 4.28Å; L123-I147 HydrophobicContact CD1-CG2 3.54Å; L123-I147 HydrophobicContact CD2-CD1 4.4Å; L123-I147 HydrophobicContact CD2-CG2 4.26Å; T127-I147 WeakPolarHBondContact O-CD1 3.07Å; V129-I147 HydrophobicContact CB-CG1 4.26Å; V129-I147 HydrophobicContact CG2-CB 4.45Å; V129-I147 HydrophobicContact CG2-CD1 3.67Å; V129-I147 HydrophobicContact CG2-CG1 3.68Å; V129-I147 HydrophobicContact CG2-CG2 3.91Å; G143-I147 WeakPolarHBondContact O-CG1 3.34Å; G143-I147 PolarHBondContact O-N 2.95Å; E144-I147 PolarHBondContact O-N 3.2Å; I147-A149 VanDerWaalsContact C-N 3.35Å; I147-A149 PolarHBondContact O-N 2.93Å; I147-L150 WeakPolarHBondContact O-CB 3.39Å; I147-L150 PolarHBondContact O-N 2.8Å; I147-V151 PolarHBondContact O-N 3.12Å
148R77.1Confident78.2Confident91 Ų9159.7 Ų59.734%0.34331%0.313SS..Hα-helixtrans-57.5-46.8171.8-76.1171.9179.4-146.26.1111.2L118 E144 L150 V151 V152L118-R148 HydrophobicContact CD1-CB 4.12Å; L118-R148 HydrophobicContact CD1-CG 3.55Å; E144-R148 HydrophobicContact CG-CG 4.35Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.84Å; E144-R148 PolarHBondContact OE1-NE 3.44Å; E144-R148 IonicContact OE1-NH2 3.07Å; E144-R148 PolarHBondContact OE1-NH2 3.13Å; E144-R148 IonicContact OE2-NH2 3.1Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.58Å; R148-V151 PolarHBondContact O-N 2.88Å; R148-V152 VanDerWaalsContact O-CG2 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.86Å
149A73.2Confident78.1Confident50 Ų5057.4 Ų57.441%0.41330%0.301SS..Hα-helixtrans-60-40.7177.200000112.1S145 W146 I147 V152 A153S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 2.83Å; W146-A149 PolarHBondContact O-N 3.1Å; I147-A149 VanDerWaalsContact C-N 3.35Å; I147-A149 PolarHBondContact O-N 2.93Å; A149-V152 PolarHBondContact O-N 2.87Å; A149-A153 VanDerWaalsContact O-CB 3.25Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.87Å
150L78.7Confident78.1Confident48 Ų4863.7 Ų63.725%0.25133%0.333SS..Hα-helixtrans-61.4-45.9174.5-178.171.2000111.5V129 L141 W146 I147 R148 A153 S154V129-L150 HydrophobicContact CG1-CD2 4.45Å; L141-L150 HydrophobicContact CD1-CB 3.95Å; L141-L150 HydrophobicContact CD1-CD1 4.38Å; L141-L150 HydrophobicContact CD1-CD2 3.72Å; L141-L150 HydrophobicContact CD1-CG 4.22Å; W146-L150 PolarHBondContact O-N 3.34Å; I147-L150 WeakPolarHBondContact O-CB 3.39Å; I147-L150 PolarHBondContact O-N 2.8Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.58Å; L150-A153 PolarHBondContact O-N 2.92Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 2.88Å
151V77.1Confident77.6Confident19 Ų1963.6 Ų63.612%0.11533%0.332CS..Hα-helixtrans-62-46.3178.4168.70000111.3F109 L118 I147 R148 A153 S154 R155F109-V151 HydrophobicContact CE2-CG1 3.76Å; F109-V151 HydrophobicContact CE2-CG2 4.43Å; F109-V151 HydrophobicContact CZ-CG1 4.01Å; L118-V151 HydrophobicContact CD1-CB 4.23Å; L118-V151 HydrophobicContact CD1-CG2 3.8Å; L118-V151 HydrophobicContact CD2-CG2 3.91Å; L118-V151 HydrophobicContact CG-CG2 3.98Å; I147-V151 PolarHBondContact O-N 3.12Å; R148-V151 PolarHBondContact O-N 2.88Å; V151-A153 PolarHBondContact O-N 2.81Å; V151-S154 WeakPolarHBondContact O-CB 3.33Å; V151-S154 PolarHBondContact O-N 2.92Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.39Å
152V73.5Confident77.3Confident37 Ų3763 Ų6322%0.22433%0.33CS..Hα-helixtrans-59.2-48.2176175.60000110.3L114 F115 R148 A149 S154 R155 A156L114-V152 WeakPolarHBondContact O-CG2 3.43Å; F115-V152 HydrophobicContact CD1-CG1 4.13Å; F115-V152 HydrophobicContact CD1-CG2 4.19Å; F115-V152 HydrophobicContact CE1-CG1 3.89Å; R148-V152 VanDerWaalsContact O-CG2 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.86Å; A149-V152 PolarHBondContact O-N 2.87Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.4Å; V152-R155 PolarHBondContact O-N 2.91Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.13Å
153A74.8Confident76.8Confident56 Ų5663.9 Ų63.946%0.46333%0.331SS..Hα-helixtrans-61.6-39178.400000111.9A149 L150 V151 A156 Y157A149-A153 VanDerWaalsContact O-CB 3.25Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 2.92Å; V151-A153 PolarHBondContact O-N 2.81Å; A153-A156 PolarHBondContact O-N 3.48Å; A153-Y157 VanDerWaalsContact O-CB 3.24Å; A153-Y157 WeakPolarHBondContact O-CB 3.42Å; A153-Y157 PolarHBondContact O-N 2.83Å
154S79.4Confident76.6Confident34 Ų3463.6 Ų63.624%0.23833%0.328CS..Hα-helixtrans-63.6-49.9176.1-54.60000111L150 V151 V152 A156 Y157 F158L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 2.88Å; V151-S154 WeakPolarHBondContact O-CB 3.33Å; V151-S154 PolarHBondContact O-N 2.92Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.4Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.65Å; S154-Y157 PolarHBondContact O-N 3.03Å; S154-F158 WeakPolarHBondContact O-CD2 3.33Å; S154-F158 PolarHBondContact O-N 2.87Å; S154-F158 VanDerWaalsContact O-N 3.09Å
155R77.7Confident76.7Confident5 Ų563.2 Ų63.22%0.01932%0.323CS..Hα-helixtrans-59.4-43.8176.3-70.3178.9173.4145.85.5110.9F109 T113 L114 N116 V151 V152 S159 R165F109-R155 HydrophobicContact CD1-CG 4.42Å; F109-R155 HydrophobicContact CE1-CG 3.73Å; F109-R155 HydrophobicContact CZ-CG 3.89Å; F109-R155 PolarHBondContact O-NE 3.4Å; F109-R155 PolarHBondContact O-NH2 2.9Å; T113-R155 PolarHBondContact O-NH1 3.46Å; L114-R155 HydrophobicContact CD2-CB 3.65Å; L114-R155 PolarHBondContact O-NH1 3.24Å; N116-R155 PolarHBondContact O-NH1 2.9Å; N116-R155 VanDerWaalsContact O-NH1 3.15Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.39Å; V152-R155 PolarHBondContact O-N 2.91Å; R155-S159 WeakPolarHBondContact O-CB 3.25Å; R155-S159 PolarHBondContact O-N 3.31Å; R155-S159 PolarHBondContact O-OG 2.93Å; R155-R165 PolarHBondContact O-NH1 3.17Å
156A72.9Confident76.8Confident34 Ų3461.7 Ų61.728%0.28130%0.304SS..Hα-helixtrans-63.7-46.7177.700000112.1V152 A153 S154 F158 S159 L160V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 3.48Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.65Å; A156-F158 PolarHBondContact O-N 3.34Å; A156-S159 WeakPolarHBondContact O-CB 3.46Å; A156-S159 PolarHBondContact O-N 2.88Å; A156-S159 VanDerWaalsContact O-N 3.13Å; A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 2.87Å; A156-L160 VanDerWaalsContact O-N 3.08Å
157Y79Confident76.8Confident80 Ų8054.4 Ų54.431%0.31428%0.277SS..Hα-helixtrans-56.7-46.5178.8174.2-91.5000112.5A153 S154 R161 R216A153-Y157 VanDerWaalsContact O-CB 3.24Å; A153-Y157 WeakPolarHBondContact O-CB 3.42Å; A153-Y157 PolarHBondContact O-N 2.83Å; S154-Y157 PolarHBondContact O-N 3.03Å; Y157-R161 VanDerWaalsContact CE2-NE 3.34Å; Y157-R161 PolarHBondContact OH-NH1 3.18Å; Y157-R216 PolarHBondContact OH-NH1 3.31Å
158F79.1Confident76.8Confident13 Ų1354.7 Ų54.76%0.05728%0.278CS..Hα-helixtrans-74.1-30.1177.6-67.5-64.2000112.6F110 S154 A156 L160 R161 S162 I187 L189F110-F158 HydrophobicContact CE1-CB 3.77Å; F110-F158 AromaticContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CG 4.11Å; F110-F158 HydrophobicContact CZ-CB 4.12Å; F110-F158 AromaticContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CE2 4.47Å; F110-F158 HydrophobicContact CZ-CG 4.06Å; S154-F158 WeakPolarHBondContact O-CD2 3.33Å; S154-F158 PolarHBondContact O-N 2.87Å; S154-F158 VanDerWaalsContact O-N 3.09Å; A156-F158 PolarHBondContact O-N 3.34Å; F158-L160 VanDerWaalsContact C-N 3.27Å; F158-L160 PolarHBondContact O-N 3.36Å; F158-R161 PolarHBondContact O-N 2.79Å; F158-S162 PolarHBondContact O-N 2.78Å; F158-S162 PolarHBondContact O-OG 3.12Å; F158-I187 HydrophobicContact CD1-CG2 4.23Å; F158-I187 HydrophobicContact CD2-CD1 4.34Å; F158-I187 HydrophobicContact CE1-CG2 4.06Å; F158-I187 HydrophobicContact CE2-CD1 3.58Å; F158-I187 HydrophobicContact CZ-CD1 3.68Å; F158-I187 HydrophobicContact CZ-CG2 4.22Å; F158-L189 HydrophobicContact CB-CD2 4.34Å; F158-L189 HydrophobicContact CD1-CD1 3.96Å; F158-L189 HydrophobicContact CD1-CD2 3.57Å; F158-L189 HydrophobicContact CD1-CG 4.36Å; F158-L189 HydrophobicContact CE1-CD1 4.06Å; F158-L189 HydrophobicContact CE1-CD2 4.24Å; F158-L189 HydrophobicContact CG-CD2 4.26Å
159S75.6Confident76.6Confident40 Ų4052.5 Ų52.528%0.2827%0.273SS..Hα-helixtrans-59.2-40173.3-52.80000112R155 A156 R161 R165R155-S159 WeakPolarHBondContact O-CB 3.25Å; R155-S159 PolarHBondContact O-N 3.31Å; R155-S159 PolarHBondContact O-OG 2.93Å; A156-S159 WeakPolarHBondContact O-CB 3.46Å; A156-S159 PolarHBondContact O-N 2.88Å; A156-S159 VanDerWaalsContact O-N 3.13Å; S159-R161 VanDerWaalsContact C-N 3.34Å; S159-R165 VanDerWaalsContact CB-NH2 3.35Å; S159-R165 PolarHBondContact OG-NH1 3.03Å; S159-R165 PolarHBondContact OG-NH2 3.03Å
160L77.2Confident76.5Confident153 Ų15353.6 Ų53.680%0.80128%0.275SS*.Hα-helixtrans-77.7-19.5-175.6-70168.9000113.4A156 F158A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 2.87Å; A156-L160 VanDerWaalsContact O-N 3.08Å; F158-L160 VanDerWaalsContact C-N 3.27Å; F158-L160 PolarHBondContact O-N 3.36Å
161R77.4Confident76.1Confident151 Ų15153.1 Ų53.157%0.5728%0.275SS*.Hα-helixtrans-105.9-14.4-170.8-73-173176.4-147.11.2115.1Y157 F158 S159Y157-R161 VanDerWaalsContact CE2-NE 3.34Å; Y157-R161 PolarHBondContact OH-NH1 3.18Å; F158-R161 PolarHBondContact O-N 2.79Å; S159-R161 VanDerWaalsContact C-N 3.34Å
162S75Confident75.9Confident13 Ų1352.9 Ų52.99%0.09127%0.274CS..  trans-135.7144.8-171.360.80000110.8F158 G164F158-S162 PolarHBondContact O-N 2.78Å; F158-S162 PolarHBondContact O-OG 3.12Å; S162-G164 WeakPolarHBondContact CB-O 3.35Å; S162-G164 PolarHBondContact OG-O 3.06Å
163Y73.2Confident75.8Confident154 Ų15455.8 Ų55.860%0.60429%0.287SS*.SBendtrans-76.1-43174.3175.4-99.7000110.5L190 L209Y163-L190 PolarHBondContact N-O 3.18Å; Y163-L209 HydrophobicContact CD1-CD1 4.17Å; Y163-L209 HydrophobicContact CE1-CD1 4.4Å
164G73.6Confident75.8Confident17 Ų1755.5 Ų55.518%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-128.8153.8172.400000110.7S162 L190S162-G164 WeakPolarHBondContact CB-O 3.35Å; S162-G164 PolarHBondContact OG-O 3.06Å; G164-L190 PolarHBondContact N-O 3Å; G164-L190 WeakPolarHBondContact O-CB 3.21Å; G164-L190 PolarHBondContact O-N 3.09Å
165R81.6Confident75.5Confident80 Ų8055.4 Ų55.430%0.30228%0.279SS..EExtended strand (participates in β ladder)trans-155.8144.1-178.458.8-156.8155.2140.8-8.6110.7F110 R155 S159 V188 L189F110-R165 HydrophobicContact CB-CG 4.11Å; F110-R165 HydrophobicContact CD1-CG 4.06Å; F110-R165 HydrophobicContact CD2-CB 4.35Å; F110-R165 HydrophobicContact CD2-CG 4.14Å; F110-R165 HydrophobicContact CE2-CB 4.47Å; F110-R165 HydrophobicContact CG-CG 3.84Å; R155-R165 PolarHBondContact O-NH1 3.17Å; S159-R165 VanDerWaalsContact CB-NH2 3.35Å; S159-R165 PolarHBondContact OG-NH1 3.03Å; S159-R165 PolarHBondContact OG-NH2 3.03Å; R165-V188 VanDerWaalsContact CA-O 3.22Å; R165-V188 WeakPolarHBondContact CA-O 3.22Å; R165-L189 HydrophobicContact CB-CD2 4.1Å
166R79.2Confident75.3Confident50 Ų5058.4 Ų58.419%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-147.9154.6174.459.6-170.5-168-152.49.7109.8E168 V188 E210 N252R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.34Å; R166-E168 IonicContact NE-OE1 3.41Å; R166-E168 PolarHBondContact NE-OE1 3.37Å; R166-E168 IonicContact NH2-OE1 2.68Å; R166-E168 PolarHBondContact NH2-OE1 2.74Å; R166-V188 HydrophobicContact CG-CB 3.92Å; R166-V188 HydrophobicContact CG-CG2 4.45Å; R166-V188 PolarHBondContact N-O 2.9Å; R166-V188 PolarHBondContact O-N 3.5Å; R166-E210 IonicContact CZ-OE1 2.85Å; R166-E210 IonicContact NH1-OE1 3.6Å; R166-E210 PolarHBondContact NH1-OE1 2.88Å; R166-E210 IonicContact NH2-OE1 2.81Å; R166-E210 PolarHBondContact NH2-OE1 3.03Å; R166-N252 PolarHBondContact NH1-OD1 3.19Å; R166-N252 PolarHBondContact NH2-OD1 3.3Å
167L81.2Confident75.2Confident10 Ų1063.4 Ų63.45%0.05232%0.315CS..EExtended strand (participates in β ladder)trans-106.5123.7172.7-169.7158.7000107.1L106 F109 F110 F185L106-L167 HydrophobicContact CB-CD2 4.41Å; L106-L167 HydrophobicContact CD1-CD1 4.19Å; L106-L167 HydrophobicContact CD2-CD2 3.81Å; L106-L167 HydrophobicContact CG-CD1 3.94Å; L106-L167 HydrophobicContact CG-CD2 3.63Å; L106-L167 HydrophobicContact CG-CG 4.46Å; F109-L167 HydrophobicContact CB-CB 4.49Å; F109-L167 HydrophobicContact CB-CD1 3.86Å; F109-L167 HydrophobicContact CD1-CD1 4.44Å; F109-L167 HydrophobicContact CG-CD1 4.17Å; F110-L167 HydrophobicContact CD2-CB 4.23Å; F110-L167 HydrophobicContact CE2-CB 4.16Å; L167-F185 HydrophobicContact CD1-CD2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.04Å; L167-F185 HydrophobicContact CD2-CB 3.82Å; L167-F185 HydrophobicContact CD2-CD2 4.03Å; L167-F185 HydrophobicContact CD2-CG 4.17Å; L167-F185 HydrophobicContact CG-CD2 3.87Å
168E76Confident75Confident13 Ų1367.7 Ų67.76%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-114.3126.5177.8-62.2179.1-16400109.8R166 F185 R186 V188R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.34Å; R166-E168 IonicContact NE-OE1 3.41Å; R166-E168 PolarHBondContact NE-OE1 3.37Å; R166-E168 IonicContact NH2-OE1 2.68Å; R166-E168 PolarHBondContact NH2-OE1 2.74Å; E168-F185 CarbonylContact O-C 3.47Å; E168-F185 VanDerWaalsContact O-CA 3.24Å; E168-F185 WeakPolarHBondContact O-CA 3.25Å; E168-F185 WeakPolarHBondContact O-CB 3.12Å; E168-R186 HydrophobicContact CB-CG 3.75Å; E168-R186 PolarHBondContact N-O 3.11Å; E168-R186 PolarHBondContact O-N 3.33Å; E168-R186 IonicContact OE2-CZ 3.47Å; E168-R186 IonicContact OE2-NE 2.72Å; E168-R186 PolarHBondContact OE2-NE 2.93Å; E168-R186 IonicContact OE2-NH2 3.67Å; E168-R186 PolarHBondContact OE2-NH2 3.06Å; E168-V188 HydrophobicContact CG-CG2 4.29Å
169L73.7Confident75.1Confident45 Ų4568.9 Ų68.924%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-77.5126.1174.7-171.578.6000109.1I102 E103 L106 I172 V183I102-L169 HydrophobicContact CG2-CD1 4.17Å; E103-L169 HydrophobicContact CG-CD2 4.15Å; L106-L169 HydrophobicContact CD2-CD1 3.99Å; L169-I172 HydrophobicContact CD1-CD1 4.11Å; L169-I172 HydrophobicContact CD1-CG1 3.88Å; L169-I172 HydrophobicContact CD2-CD1 3.51Å; L169-I172 HydrophobicContact CD2-CG1 3.82Å; L169-I172 HydrophobicContact CG-CD1 4.31Å; L169-I172 HydrophobicContact CG-CG1 4.14Å; L169-V183 HydrophobicContact CD1-CG1 3.37Å
170T71.1Confident75.5Confident73 Ų7369.1 Ų69.145%0.44833%0.331SS..EExtended strand (participates in β ladder)trans-101.9-38.1-179.459.40000112.3C184 R186T170-C184 PolarHBondContact N-O 3.43Å; T170-C184 WeakPolarHBondContact OG1-CB 3.31Å; T170-C184 PolarHBondContact OG1-O 3.28Å; T170-R186 HydrophobicContact CG2-CB 4.43Å; T170-R186 HydrophobicContact CG2-CG 4.13Å
171S70.7Confident75.7Confident38 Ų3861.9 Ų61.927%0.26629%0.294SS..EExtended strand (participates in β ladder)trans-157.1149.2175.565.50000111V183 C184S171-V183 WeakPolarHBondContact O-CA 3.42Å; S171-C184 PolarHBondContact N-O 2.77Å; S171-C184 PolarHBondContact O-N 3.24Å; S171-C184 WeakPolarHBondContact OG-CB 3.21Å
172I72.8Confident75.9Confident15 Ų1557.6 Ų57.68%0.07728%0.28CS..EExtended strand (participates in β ladder)trans-124.3126.9164.1-61.6174.6000106.1N99 I102 E103 L169 V181 E182 V183 L270N99-I172 WeakPolarHBondContact OD1-CG2 3.46Å; I102-I172 HydrophobicContact CB-CD1 4.38Å; I102-I172 HydrophobicContact CG2-CD1 3.78Å; I102-I172 HydrophobicContact CG2-CG1 4.32Å; E103-I172 HydrophobicContact CG-CD1 3.38Å; L169-I172 HydrophobicContact CD1-CD1 4.11Å; L169-I172 HydrophobicContact CD1-CG1 3.88Å; L169-I172 HydrophobicContact CD2-CD1 3.51Å; L169-I172 HydrophobicContact CD2-CG1 3.82Å; L169-I172 HydrophobicContact CG-CD1 4.31Å; L169-I172 HydrophobicContact CG-CG1 4.14Å; I172-V181 HydrophobicContact CG2-CG1 3.86Å; I172-E182 CarbonylContact C-O 3.57Å; I172-E182 WeakPolarHBondContact CA-O 3.44Å; I172-V183 HydrophobicContact CG1-CG1 4.32Å; I172-V183 HydrophobicContact CG1-CG2 4.45Å; I172-L270 HydrophobicContact CB-CD1 4.05Å
173L70.6Confident76.1Confident98 Ų9857 Ų5751%0.51328%0.276SS..EExtended strand (participates in β ladder)trans-123.4131.3175.4-66.3171.1000107.5V181 E182L173-V181 CarbonylContact O-C 3.59Å; L173-V181 WeakPolarHBondContact O-CA 3.46Å; L173-E182 HydrophobicContact CB-CB 4.39Å; L173-E182 PolarHBondContact N-O 3.11Å; L173-E182 PolarHBondContact O-N 3.32Å
174S74.9Confident76.5Confident49 Ų4950.5 Ų50.534%0.34325%0.253SS..EExtended strand (participates in β ladder)trans-115.7122.3177.2-58.90000109.5N99N99-S174 PolarHBondContact ND2-OG 3.5Å; N99-S174 PolarHBondContact OD1-OG 3.26Å; N99-S174 VanDerWaalsContact OD1-OG 3.13Å
175D73.5Confident76.8Confident33 Ų3350.5 Ų50.518%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-99108.4174.1-173.5-28.6000108.4E177 R178 W179 E180D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 WeakPolarHBondContact OD1-CA 3.42Å; D175-E177 WeakPolarHBondContact OD1-CB 3.29Å; D175-E177 PolarHBondContact OD1-N 2.78Å; D175-R178 HydrophobicContact CB-CB 4.34Å; D175-R178 PolarHBondContact OD1-N 3.29Å; D175-R178 WeakPolarHBondContact OD2-CD 3.32Å; D175-R178 WeakPolarHBondContact OD2-CG 3.17Å; D175-R178 IonicContact OD2-NE 3.77Å; D175-W179 VanDerWaalsContact O-CA 3.23Å; D175-W179 WeakPolarHBondContact O-CA 3.49Å; D175-W179 PolarHBondContact O-N 3.02Å; D175-E180 HydrophobicContact CB-CB 4.43Å; D175-E180 PolarHBondContact N-O 3.15Å; D175-E180 PolarHBondContact O-N 2.81Å; D175-E180 VanDerWaalsContact O-N 3.1Å
176T73.2Confident76.8Confident67 Ų6747.6 Ų47.641%0.41124%0.237SC..THydrogen-bonded Turntrans-76.5-18.8179.946.80000113.4M92M92-T176 HydrophobicContact CE-CG2 3.61Å; M92-T176 HydrophobicContact SD-CG2 3.99Å
177E71.6Confident77Confident139 Ų13945.6 Ų45.665%0.6523%0.23SC*.THydrogen-bonded Turntrans-80.5-44.9177-60-177.1169.900110.4D175D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 WeakPolarHBondContact OD1-CA 3.42Å; D175-E177 WeakPolarHBondContact OD1-CB 3.29Å; D175-E177 PolarHBondContact OD1-N 2.78Å
178R74.4Confident77Confident171 Ų17145.2 Ų45.265%0.64523%0.228SC*.THydrogen-bonded Turntrans-88.9-13-179.6-60.8-174.4178.8-169-1.1113.8D175 E180D175-R178 HydrophobicContact CB-CB 4.34Å; D175-R178 PolarHBondContact OD1-N 3.29Å; D175-R178 WeakPolarHBondContact OD2-CD 3.32Å; D175-R178 WeakPolarHBondContact OD2-CG 3.17Å; D175-R178 IonicContact OD2-NE 3.77Å; R178-E180 VanDerWaalsContact C-N 3.34Å; R178-E180 HydrophobicContact CB-CB 4.41Å; R178-E180 HydrophobicContact CB-CG 3.85Å
179W80.2Confident77.3Confident37 Ų3745.2 Ų45.214%0.1423%0.228CC..THydrogen-bonded Turntrans5848-173.9-58.494.2000112.2P87 K91 M92 L95 D175 L224P87-W179 HydrophobicContact CB-CH2 4.19Å; P87-W179 HydrophobicContact CB-CZ2 4.29Å; K91-W179 VanDerWaalsContact C-CZ3 3.5Å; K91-W179 HydrophobicContact CB-CE3 4.25Å; K91-W179 HydrophobicContact CB-CH2 3.75Å; K91-W179 HydrophobicContact CB-CZ2 4.38Å; K91-W179 HydrophobicContact CB-CZ3 3.71Å; K91-W179 HydrophobicContact CD-CD2 3.48Å; K91-W179 VanDerWaalsContact CD-CD2 3.48Å; K91-W179 HydrophobicContact CD-CE3 3.71Å; K91-W179 HydrophobicContact CD-CG 4Å; K91-W179 HydrophobicContact CD-CH2 3.94Å; K91-W179 HydrophobicContact CD-CZ2 3.78Å; K91-W179 HydrophobicContact CD-CZ3 3.93Å; K91-W179 HydrophobicContact CG-CD2 3.9Å; K91-W179 HydrophobicContact CG-CE3 3.53Å; K91-W179 HydrophobicContact CG-CH2 3.88Å; K91-W179 HydrophobicContact CG-CZ2 4.26Å; K91-W179 HydrophobicContact CG-CZ3 3.53Å; M92-W179 HydrophobicContact CE-CH2 3.37Å; M92-W179 HydrophobicContact CE-CZ2 4.03Å; M92-W179 HydrophobicContact CE-CZ3 3.73Å; M92-W179 HydrophobicContact CG-CH2 3.76Å; M92-W179 HydrophobicContact CG-CZ3 4Å; M92-W179 HydrophobicContact SD-CH2 3.63Å; M92-W179 HydrophobicContact SD-CZ3 3.49Å; M92-W179 WeakPolarHBondContact SD-CZ3 3.34Å; L95-W179 HydrophobicContact CD1-CE3 4.05Å; L95-W179 HydrophobicContact CD1-CZ3 4.48Å; D175-W179 VanDerWaalsContact O-CA 3.23Å; D175-W179 WeakPolarHBondContact O-CA 3.49Å; D175-W179 PolarHBondContact O-N 3.02Å; W179-L224 HydrophobicContact CB-CB 4.03Å; W179-L224 WeakPolarHBondContact O-CB 3.41Å; W179-L224 PolarHBondContact O-N 2.78Å
180E84.2Confident77.5Confident45 Ų4543.9 Ų43.921%0.2122%0.221CC..EExtended strand (participates in β ladder)trans-119.7140.3-178.2-64.4179.2-159.700110D175 R178 T221 F222 Y223D175-E180 HydrophobicContact CB-CB 4.43Å; D175-E180 PolarHBondContact N-O 3.15Å; D175-E180 PolarHBondContact O-N 2.81Å; D175-E180 VanDerWaalsContact O-N 3.1Å; R178-E180 VanDerWaalsContact C-N 3.34Å; R178-E180 HydrophobicContact CB-CB 4.41Å; R178-E180 HydrophobicContact CB-CG 3.85Å; E180-T221 HydrophobicContact CB-CG2 4.19Å; E180-F222 CarbonylContact C-O 3.54Å; E180-F222 VanDerWaalsContact CA-O 3.3Å; E180-F222 WeakPolarHBondContact CA-O 3.29Å; E180-Y223 HydrophobicContact CG-CD1 3.54Å; E180-Y223 HydrophobicContact CG-CE1 3.78Å; E180-Y223 HydrophobicContact CG-CG 4.42Å; E180-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E180-Y223 WeakPolarHBondContact OE2-CE1 3.12Å
181V82Confident78.1Confident1 Ų142 Ų421%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-114.7110.2168.9-179.50000107.9L95 I98 N99 I102 I172 L173 V183 T221 F222L95-V181 HydrophobicContact CD1-CG2 4.45Å; L95-V181 HydrophobicContact CG-CG2 4.1Å; I98-V181 HydrophobicContact CG2-CG2 4.22Å; N99-V181 WeakPolarHBondContact OD1-CG1 3.24Å; I102-V181 HydrophobicContact CD1-CG1 3.83Å; I172-V181 HydrophobicContact CG2-CG1 3.86Å; L173-V181 CarbonylContact O-C 3.59Å; L173-V181 WeakPolarHBondContact O-CA 3.46Å; V181-V183 HydrophobicContact CG1-CG2 4.04Å; V181-T221 CarbonylContact O-C 3.56Å; V181-T221 WeakPolarHBondContact O-CA 3.31Å; V181-F222 HydrophobicContact CB-CB 4.27Å; V181-F222 PolarHBondContact N-O 3.36Å; V181-F222 PolarHBondContact O-N 2.87Å
182E80.5Confident78.6Confident62 Ų6243.9 Ų43.929%0.2922%0.224SC..EExtended strand (participates in β ladder)trans-92.4121.3173.9-175.9176.8168.200110I172 L173 R219I172-E182 CarbonylContact C-O 3.57Å; I172-E182 WeakPolarHBondContact CA-O 3.44Å; L173-E182 HydrophobicContact CB-CB 4.39Å; L173-E182 PolarHBondContact N-O 3.11Å; L173-E182 PolarHBondContact O-N 3.32Å; E182-R219 HydrophobicContact CG-CG 3.9Å; E182-R219 WeakPolarHBondContact OE1-CD 3.44Å; E182-R219 IonicContact OE1-NH1 2.66Å
183V79.9Confident79.1Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-116.6121.1179-173.90000109I102 L106 L169 S171 I172 V181 F185 R219 A220 F222I102-V183 HydrophobicContact CD1-CG2 3.7Å; I102-V183 HydrophobicContact CG1-CG2 4.42Å; I102-V183 HydrophobicContact CG2-CB 4.5Å; I102-V183 HydrophobicContact CG2-CG1 3.9Å; I102-V183 HydrophobicContact CG2-CG2 3.76Å; L106-V183 HydrophobicContact CD2-CG1 3.96Å; L169-V183 HydrophobicContact CD1-CG1 3.37Å; S171-V183 WeakPolarHBondContact O-CA 3.42Å; I172-V183 HydrophobicContact CG1-CG1 4.32Å; I172-V183 HydrophobicContact CG1-CG2 4.45Å; V181-V183 HydrophobicContact CG1-CG2 4.04Å; V183-F185 HydrophobicContact CG1-CD1 4.27Å; V183-R219 CarbonylContact O-C 3.59Å; V183-R219 WeakPolarHBondContact O-CA 3.42Å; V183-A220 PolarHBondContact N-O 2.95Å; V183-A220 PolarHBondContact O-N 2.8Å; V183-F222 HydrophobicContact CB-CE2 4.35Å; V183-F222 HydrophobicContact CG2-CD2 3.99Å; V183-F222 HydrophobicContact CG2-CE2 3.69Å
184C80.9Confident79.7Confident17 Ų1742.4 Ų42.412%0.11522%0.222CC..EExtended strand (participates in β ladder)trans-100.4133.3166.6-65.90000109.3T170 S171 F218T170-C184 PolarHBondContact N-O 3.43Å; T170-C184 WeakPolarHBondContact OG1-CB 3.31Å; T170-C184 PolarHBondContact OG1-O 3.28Å; S171-C184 PolarHBondContact N-O 2.77Å; S171-C184 PolarHBondContact O-N 3.24Å; S171-C184 WeakPolarHBondContact OG-CB 3.21Å; C184-F218 WeakPolarHBondContact CA-O 3.39Å
185F80.6Confident80Confident17 Ų1745.5 Ų45.58%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-145.2154.9177.963.8-87.8000111.1L106 L167 E168 V183 I187 F218 A220 L235L106-F185 HydrophobicContact CD2-CB 4.09Å; L106-F185 HydrophobicContact CD2-CD1 3.94Å; L106-F185 HydrophobicContact CD2-CG 4.02Å; L167-F185 HydrophobicContact CD1-CD2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.04Å; L167-F185 HydrophobicContact CD2-CB 3.82Å; L167-F185 HydrophobicContact CD2-CD2 4.03Å; L167-F185 HydrophobicContact CD2-CG 4.17Å; L167-F185 HydrophobicContact CG-CD2 3.87Å; E168-F185 CarbonylContact O-C 3.47Å; E168-F185 VanDerWaalsContact O-CA 3.24Å; E168-F185 WeakPolarHBondContact O-CA 3.25Å; E168-F185 WeakPolarHBondContact O-CB 3.12Å; V183-F185 HydrophobicContact CG1-CD1 4.27Å; F185-I187 HydrophobicContact CD2-CG1 4.36Å; F185-I187 HydrophobicContact CE2-CD1 4.37Å; F185-I187 HydrophobicContact CE2-CG1 4.27Å; F185-F218 HydrophobicContact CD1-CB 4.23Å; F185-F218 HydrophobicContact CD2-CB 4Å; F185-F218 HydrophobicContact CD2-CD2 4.25Å; F185-F218 HydrophobicContact CE1-CB 3.75Å; F185-F218 HydrophobicContact CE2-CB 3.51Å; F185-F218 AromaticContact CE2-CD2 3.78Å; F185-F218 HydrophobicContact CE2-CD2 3.78Å; F185-F218 AromaticContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CG-CB 4.35Å; F185-F218 HydrophobicContact CZ-CB 3.38Å; F185-F218 HydrophobicContact CZ-CD2 4.43Å; F185-F218 HydrophobicContact CZ-CG 4.02Å; F185-F218 PolarHBondContact N-O 2.77Å; F185-F218 PolarHBondContact O-N 2.82Å; F185-F218 VanDerWaalsContact O-O 3.1Å; F185-A220 HydrophobicContact CE1-CB 3.9Å; F185-L235 HydrophobicContact CE1-CD1 4.12Å; F185-L235 HydrophobicContact CZ-CD1 3.81Å
186R81.9Confident80.4Confident19 Ų1952.4 Ų52.47%0.07227%0.267CS..EExtended strand (participates in β ladder)trans-119.3133.3176.969.3-178.8-178-169.6-0.7110.9E168 T170 V188 R216 N217 A247E168-R186 HydrophobicContact CB-CG 3.75Å; E168-R186 PolarHBondContact N-O 3.11Å; E168-R186 PolarHBondContact O-N 3.33Å; E168-R186 IonicContact OE2-CZ 3.47Å; E168-R186 IonicContact OE2-NE 2.72Å; E168-R186 PolarHBondContact OE2-NE 2.93Å; E168-R186 IonicContact OE2-NH2 3.67Å; E168-R186 PolarHBondContact OE2-NH2 3.06Å; T170-R186 HydrophobicContact CG2-CB 4.43Å; T170-R186 HydrophobicContact CG2-CG 4.13Å; R186-V188 HydrophobicContact CG-CG2 4.13Å; R186-R216 CarbonylContact C-O 3.36Å; R186-R216 WeakPolarHBondContact CA-O 3.21Å; R186-N217 WeakPolarHBondContact CB-OD1 3.37Å; R186-A247 PolarHBondContact NH2-O 2.9Å
187I83.3Confident80.6Confident9 Ų950.1 Ų50.15%0.04625%0.252CS..EExtended strand (participates in β ladder)trans-93.3110.9170.2-63.2-179.7000107F110 F158 F185 L189 W215 R216 F218F110-I187 HydrophobicContact CE2-CG1 4.38Å; F110-I187 HydrophobicContact CE2-CG2 3.81Å; F110-I187 HydrophobicContact CZ-CD1 4.2Å; F110-I187 HydrophobicContact CZ-CG1 4.45Å; F110-I187 HydrophobicContact CZ-CG2 3.77Å; F158-I187 HydrophobicContact CD1-CG2 4.23Å; F158-I187 HydrophobicContact CD2-CD1 4.34Å; F158-I187 HydrophobicContact CE1-CG2 4.06Å; F158-I187 HydrophobicContact CE2-CD1 3.58Å; F158-I187 HydrophobicContact CZ-CD1 3.68Å; F158-I187 HydrophobicContact CZ-CG2 4.22Å; F185-I187 HydrophobicContact CD2-CG1 4.36Å; F185-I187 HydrophobicContact CE2-CD1 4.37Å; F185-I187 HydrophobicContact CE2-CG1 4.27Å; I187-L189 HydrophobicContact CG2-CD2 3.76Å; I187-L189 HydrophobicContact CG2-CG 4.22Å; I187-W215 WeakPolarHBondContact O-CA 3.35Å; I187-R216 PolarHBondContact N-O 2.61Å; I187-R216 PolarHBondContact O-N 3.41Å; I187-F218 HydrophobicContact CB-CE2 4.1Å; I187-F218 HydrophobicContact CD1-CD2 3.99Å; I187-F218 HydrophobicContact CD1-CE2 3.52Å; I187-F218 HydrophobicContact CD1-CZ 4.22Å; I187-F218 HydrophobicContact CG1-CD2 4Å; I187-F218 HydrophobicContact CG1-CE2 3.79Å
188V80.4Confident80.8Confident1 Ų146.8 Ų46.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-91.3127.1176.9-176.90000108.6R165 R166 E168 R186 L190 A213 W215R165-V188 VanDerWaalsContact CA-O 3.22Å; R165-V188 WeakPolarHBondContact CA-O 3.22Å; R166-V188 HydrophobicContact CG-CB 3.92Å; R166-V188 HydrophobicContact CG-CG2 4.45Å; R166-V188 PolarHBondContact N-O 2.9Å; R166-V188 PolarHBondContact O-N 3.5Å; E168-V188 HydrophobicContact CG-CG2 4.29Å; R186-V188 HydrophobicContact CG-CG2 4.13Å; V188-L190 HydrophobicContact CG1-CD2 4.48Å; V188-A213 HydrophobicContact CG1-CB 3.98Å; V188-W215 HydrophobicContact CG2-CB 4.27Å
189L82.2Confident81.1Confident13 Ų1346.3 Ų46.37%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-116.8113.4-179-56.6175.8000108.7F158 R165 I187 A213 Q214F158-L189 HydrophobicContact CB-CD2 4.34Å; F158-L189 HydrophobicContact CD1-CD1 3.96Å; F158-L189 HydrophobicContact CD1-CD2 3.57Å; F158-L189 HydrophobicContact CD1-CG 4.36Å; F158-L189 HydrophobicContact CE1-CD1 4.06Å; F158-L189 HydrophobicContact CE1-CD2 4.24Å; F158-L189 HydrophobicContact CG-CD2 4.26Å; R165-L189 HydrophobicContact CB-CD2 4.1Å; I187-L189 HydrophobicContact CG2-CD2 3.76Å; I187-L189 HydrophobicContact CG2-CG 4.22Å; L189-A213 WeakPolarHBondContact O-CA 3.39Å; L189-Q214 WeakPolarHBondContact CA-O 3.18Å; L189-Q214 WeakPolarHBondContact CB-O 3.32Å; L189-Q214 PolarHBondContact N-O 3.42Å; L189-Q214 PolarHBondContact O-N 2.97Å
190L79.1Confident81Confident18 Ų1847.4 Ų47.49%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-83.5124.1173.1-57.9179.5000108.6Y163 G164 V188 L206 L209 E210 A213Y163-L190 PolarHBondContact N-O 3.18Å; G164-L190 PolarHBondContact N-O 3Å; G164-L190 WeakPolarHBondContact O-CB 3.21Å; G164-L190 PolarHBondContact O-N 3.09Å; V188-L190 HydrophobicContact CG1-CD2 4.48Å; L190-L206 HydrophobicContact CD1-CD1 4.08Å; L190-L209 HydrophobicContact CB-CB 4.48Å; L190-L209 HydrophobicContact CD2-CB 4.35Å; L190-E210 HydrophobicContact CD2-CG 3.99Å; L190-A213 HydrophobicContact CD2-CB 3.91Å
191P82.3Confident80.8Confident33 Ų3349.2 Ų49.221%0.21427%0.273CS..PPolyproline II helixtrans-66.7163.9177.429.4-34000110.8L209 R212P191-L209 HydrophobicContact CG-CD2 4.19Å; P191-L209 VanDerWaalsContact O-CD2 3.29Å; P191-L209 WeakPolarHBondContact O-CD2 3.38Å; P191-R212 HydrophobicContact CG-CB 3.79Å
192S82.2Confident80.5Confident78 Ų7853.9 Ų53.955%0.54531%0.305SS..PPolyproline II helixtrans-64.1139.9169.2-56.80000110.6S194S192-S194 PolarHBondContact O-N 3.32Å
193P82.5Confident80Confident38 Ų3857.5 Ų57.525%0.24733%0.326CS..PPolyproline II helixtrans-62.1137.3176.627.6-34.8000109.9E197 L205 L209P193-E197 HydrophobicContact CB-CB 4.32Å; P193-L205 HydrophobicContact CB-CD1 3.95Å; P193-L209 HydrophobicContact CB-CD2 4.36Å
194S83.5Confident79.9Confident43 Ų4363.5 Ų63.530%0.30135%0.353SS..PPolyproline II helixtrans-67.1162.8169.363.60000110.3S192 K196 E197 S198S192-S194 PolarHBondContact O-N 3.32Å; S194-K196 PolarHBondContact O-N 2.83Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.03Å; S194-E197 PolarHBondContact O-N 2.91Å; S194-E197 VanDerWaalsContact O-N 3.07Å; S194-E197 WeakPolarHBondContact OG-CB 3.45Å; S194-E197 WeakPolarHBondContact OG-CG 3.3Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 3.07Å; S194-S198 PolarHBondContact O-N 2.82Å
195T81.4Confident79.6Confident115 Ų11564 Ų6471%0.70635%0.354SS*.THydrogen-bonded Turntrans-53.3-41.3175.548.30000111.9S198 H199T195-S198 PolarHBondContact O-N 3.31Å; T195-S198 PolarHBondContact O-OG 3.03Å; T195-H199 PolarHBondContact O-CD2 2.92Å; T195-H199 VanDerWaalsContact O-CD2 3.24Å
196K81Confident79.3Confident177 Ų17767 Ų6777%0.7737%0.37SS*.THydrogen-bonded Turntrans-66.3-40.6176.7-63.5-175.9179.5-177.60113.1S194 S198S194-K196 PolarHBondContact O-N 2.83Å; K196-S198 VanDerWaalsContact C-N 3.35Å
197E78Confident78.8Confident20 Ų2071.3 Ų71.39%0.09339%0.392CS..G310 helixtrans-74.1-27.3-179.6-71.4159.2167.500112.3P193 S194 H199 L200 L205 R212P193-E197 HydrophobicContact CB-CB 4.32Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.03Å; S194-E197 PolarHBondContact O-N 2.91Å; S194-E197 VanDerWaalsContact O-N 3.07Å; S194-E197 WeakPolarHBondContact OG-CB 3.45Å; S194-E197 WeakPolarHBondContact OG-CG 3.3Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 3.07Å; E197-H199 PolarHBondContact O-N 3.01Å; E197-L200 HydrophobicContact CB-CD1 4.15Å; E197-L200 HydrophobicContact CG-CD1 4.12Å; E197-L200 VanDerWaalsContact O-CB 3.29Å; E197-L200 WeakPolarHBondContact O-CB 3.14Å; E197-L200 WeakPolarHBondContact O-CG 3.48Å; E197-L200 PolarHBondContact O-N 3.44Å; E197-L205 HydrophobicContact CB-CD1 3.82Å; E197-L205 WeakPolarHBondContact O-CD1 3.41Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NH1 2.58Å; E197-R212 PolarHBondContact OE1-NH1 3.45Å; E197-R212 IonicContact OE2-CZ 2.99Å; E197-R212 IonicContact OE2-NH1 3.19Å; E197-R212 PolarHBondContact OE2-NH1 3.13Å
198S75.7Confident78.4Confident69 Ų6977.2 Ų77.248%0.48341%0.413SS..G310 helixtrans-60-19.2-17973.60000114.2S194 T195 K196S194-S198 PolarHBondContact O-N 2.82Å; T195-S198 PolarHBondContact O-N 3.31Å; T195-S198 PolarHBondContact O-OG 3.03Å; K196-S198 VanDerWaalsContact C-N 3.35Å
199H80.4Confident78.1Confident161 Ų16177.4 Ų77.475%0.74541%0.414SS*.G310 helixtrans-90.3-5.2176-58.7-64.3000113.9T195 E197T195-H199 PolarHBondContact O-CD2 2.92Å; T195-H199 VanDerWaalsContact O-CD2 3.24Å; E197-H199 PolarHBondContact O-N 3.01Å
200L79Confident77.9Confident60 Ų6077.8 Ų77.831%0.31442%0.416SS..SBendtrans-75.4147.4-178.7-66.5172.8000111.4E197 K204 L205 R208E197-L200 HydrophobicContact CB-CD1 4.15Å; E197-L200 HydrophobicContact CG-CD1 4.12Å; E197-L200 VanDerWaalsContact O-CB 3.29Å; E197-L200 WeakPolarHBondContact O-CB 3.14Å; E197-L200 WeakPolarHBondContact O-CG 3.48Å; E197-L200 PolarHBondContact O-N 3.44Å; L200-K204 HydrophobicContact CB-CB 4.4Å; L200-L205 HydrophobicContact CB-CB 4.24Å; L200-R208 HydrophobicContact CD1-CG 3.92Å
201P80.7Confident77.9Confident83 Ų8382.4 Ų82.454%0.53944%0.437SS..  trans-55.7148.1166.6-22.833000111.5D203 K204 L205P201-D203 VanDerWaalsContact C-N 3.31Å; P201-D203 PolarHBondContact O-N 2.99Å; P201-D203 VanDerWaalsContact O-N 3.16Å; P201-K204 PolarHBondContact O-N 3.49Å; P201-K204 VanDerWaalsContact O-N 3.07Å; P201-L205 WeakPolarHBondContact O-CB 3.35Å; P201-L205 PolarHBondContact O-N 3.48Å
202S74Confident77.8Confident98 Ų9886 Ų8669%0.68545%0.446SS*.Hα-helixtrans-52.4-41.3-170.6-57.50000114.6L205 L206S202-L205 PolarHBondContact O-N 2.75Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.25Å
203D71.8Confident77.6Confident138 Ų13882.3 Ų82.374%0.73842%0.42SS*.Hα-helixtrans-66.5-44.9-179.6-56.2-32.1000111.6P201 L205 L206 E207P201-D203 VanDerWaalsContact C-N 3.31Å; P201-D203 PolarHBondContact O-N 2.99Å; P201-D203 VanDerWaalsContact O-N 3.16Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L206 PolarHBondContact O-N 2.93Å; D203-E207 PolarHBondContact O-N 2.85Å
204K76.5Confident77.6Confident126 Ų12686.7 Ų86.755%0.54844%0.438SS..Hα-helixtrans-68.3-35.4176-67.9-172.3178.6-178.20111.7L200 P201 R208L200-K204 HydrophobicContact CB-CB 4.4Å; P201-K204 PolarHBondContact O-N 3.49Å; P201-K204 VanDerWaalsContact O-N 3.07Å; K204-R208 WeakPolarHBondContact O-CB 3.42Å; K204-R208 WeakPolarHBondContact O-CG 3.24Å; K204-R208 PolarHBondContact O-N 2.96Å
205L75.1Confident77.5Confident28 Ų2886.7 Ų86.715%0.14743%0.431CS..Hα-helixtrans-63-48.2175.3-179.658.1000110.3P193 E197 L200 P201 S202 D203 R208 L209P193-L205 HydrophobicContact CB-CD1 3.95Å; E197-L205 HydrophobicContact CB-CD1 3.82Å; E197-L205 WeakPolarHBondContact O-CD1 3.41Å; L200-L205 HydrophobicContact CB-CB 4.24Å; P201-L205 WeakPolarHBondContact O-CB 3.35Å; P201-L205 PolarHBondContact O-N 3.48Å; S202-L205 PolarHBondContact O-N 2.75Å; D203-L205 VanDerWaalsContact C-N 3.34Å; L205-R208 PolarHBondContact O-N 2.99Å; L205-L209 HydrophobicContact CD1-CD1 4.32Å; L205-L209 HydrophobicContact CD1-CG 4.22Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.45Å
206L73.3Confident77.4Confident80 Ų8083.4 Ų83.442%0.41941%0.405SS..Hα-helixtrans-61-48.7179.3-178.462.4000111.1L190 S202 D203 R208 L209 E210L190-L206 HydrophobicContact CD1-CD1 4.08Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.25Å; D203-L206 PolarHBondContact O-N 2.93Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.42Å; L206-L209 CarbonylContact O-C 3.53Å; L206-L209 PolarHBondContact O-N 2.82Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L206-E210 HydrophobicContact CD1-CG 4.2Å; L206-E210 HydrophobicContact CG-CG 4.37Å; L206-E210 WeakPolarHBondContact O-CB 2.88Å; L206-E210 WeakPolarHBondContact O-CG 3.39Å; L206-E210 PolarHBondContact O-N 3.4Å
207E73.2Confident77.4Confident110 Ų11075.6 Ų75.651%0.51437%0.372SS..Hα-helixtrans-56-44.4177.2-169.2-169.2168.900111.6D203 E210 Q211D203-E207 PolarHBondContact O-N 2.85Å; E207-E210 PolarHBondContact O-N 3.44Å; E207-Q211 VanDerWaalsContact O-CG 3.3Å; E207-Q211 WeakPolarHBondContact O-CG 3.22Å; E207-Q211 PolarHBondContact O-N 3.1Å
208R74.7Confident77.7Confident133 Ų13375.8 Ų75.850%0.50237%0.373SS..Hα-helixtrans-64.9-40.4176.5-71.6-71.2-172.7157.51.7112.8L200 K204 L205 L206 E210 R212L200-R208 HydrophobicContact CD1-CG 3.92Å; K204-R208 WeakPolarHBondContact O-CB 3.42Å; K204-R208 WeakPolarHBondContact O-CG 3.24Å; K204-R208 PolarHBondContact O-N 2.96Å; L205-R208 PolarHBondContact O-N 2.99Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.42Å; R208-E210 VanDerWaalsContact C-N 3.34Å; R208-R212 PolarHBondContact O-N 3.49Å
209L74.1Confident78Confident5 Ų576.5 Ų76.53%0.02637%0.365CS..Hα-helixtrans-67.3-36.7176-70.2-177.8000111.5Y163 L190 P191 P193 L205 L206 R212 A213Y163-L209 HydrophobicContact CD1-CD1 4.17Å; Y163-L209 HydrophobicContact CE1-CD1 4.4Å; L190-L209 HydrophobicContact CB-CB 4.48Å; L190-L209 HydrophobicContact CD2-CB 4.35Å; P191-L209 HydrophobicContact CG-CD2 4.19Å; P191-L209 VanDerWaalsContact O-CD2 3.29Å; P191-L209 WeakPolarHBondContact O-CD2 3.38Å; P193-L209 HydrophobicContact CB-CD2 4.36Å; L205-L209 HydrophobicContact CD1-CD1 4.32Å; L205-L209 HydrophobicContact CD1-CG 4.22Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.45Å; L206-L209 CarbonylContact O-C 3.53Å; L206-L209 PolarHBondContact O-N 2.82Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L209-R212 CarbonylContact O-C 3.56Å; L209-R212 PolarHBondContact O-N 3.3Å; L209-A213 PolarHBondContact O-N 3.09Å
210E77.9Confident78.3Confident21 Ų2169.1 Ų69.110%0.09833%0.332CS..Hα-helixtrans-68.9-40.6176.7-74.9-175.3158.800112.2R166 L190 L206 E207 R208 R212 A213 N252R166-E210 IonicContact CZ-OE1 2.85Å; R166-E210 IonicContact NH1-OE1 3.6Å; R166-E210 PolarHBondContact NH1-OE1 2.88Å; R166-E210 IonicContact NH2-OE1 2.81Å; R166-E210 PolarHBondContact NH2-OE1 3.03Å; L190-E210 HydrophobicContact CD2-CG 3.99Å; L206-E210 HydrophobicContact CD1-CG 4.2Å; L206-E210 HydrophobicContact CG-CG 4.37Å; L206-E210 WeakPolarHBondContact O-CB 2.88Å; L206-E210 WeakPolarHBondContact O-CG 3.39Å; L206-E210 PolarHBondContact O-N 3.4Å; E207-E210 PolarHBondContact O-N 3.44Å; R208-E210 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.36Å; E210-A213 WeakPolarHBondContact O-CB 3.5Å; E210-A213 PolarHBondContact O-N 2.91Å; E210-N252 VanDerWaalsContact CD-ND2 3.34Å; E210-N252 PolarHBondContact OE1-ND2 3.37Å; E210-N252 PolarHBondContact OE1-OD1 3.01Å; E210-N252 VanDerWaalsContact OE1-OD1 3.14Å; E210-N252 PolarHBondContact OE2-ND2 3.08Å
211Q78.5Confident78.7Confident115 Ų11566.7 Ų66.754%0.53732%0.32SS..Hα-helixtrans-58.3-32.6171.9-74.2172.63.800112.3E207E207-Q211 VanDerWaalsContact O-CG 3.3Å; E207-Q211 WeakPolarHBondContact O-CG 3.22Å; E207-Q211 PolarHBondContact O-N 3.1Å
212R79.9Confident79Confident107 Ų10763.6 Ų63.640%0.40430%0.297SS..THydrogen-bonded Turntrans-96.64.5178-67.3175.350.4-163-15.2113.4P191 E197 R208 L209 E210P191-R212 HydrophobicContact CG-CB 3.79Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NH1 2.58Å; E197-R212 PolarHBondContact OE1-NH1 3.45Å; E197-R212 IonicContact OE2-CZ 2.99Å; E197-R212 IonicContact OE2-NH1 3.19Å; E197-R212 PolarHBondContact OE2-NH1 3.13Å; R208-R212 PolarHBondContact O-N 3.49Å; L209-R212 CarbonylContact O-C 3.56Å; L209-R212 PolarHBondContact O-N 3.3Å; E210-R212 PolarHBondContact O-N 3.36Å
213A78.9Confident79.6Confident1 Ų161.8 Ų61.81%0.00828%0.276CS..  trans-62.4143.1-177.700000110.3V188 L189 L190 L209 E210V188-A213 HydrophobicContact CG1-CB 3.98Å; L189-A213 WeakPolarHBondContact O-CA 3.39Å; L190-A213 HydrophobicContact CD2-CB 3.91Å; L209-A213 PolarHBondContact O-N 3.09Å; E210-A213 WeakPolarHBondContact O-CB 3.5Å; E210-A213 PolarHBondContact O-N 2.91Å
214Q81.4Confident80.3Confident131 Ų13155.7 Ų55.761%0.61224%0.243SC*.EExtended strand (participates in β ladder)trans-106.3135.4167.5-65.1-175.8-0.900107.6L189L189-Q214 WeakPolarHBondContact CA-O 3.18Å; L189-Q214 WeakPolarHBondContact CB-O 3.32Å; L189-Q214 PolarHBondContact N-O 3.42Å; L189-Q214 PolarHBondContact O-N 2.97Å
215W82.4Confident80.6Confident42 Ų4250.9 Ų50.916%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-121.3153.2171.458.691.5000111.2I187 V188 K243I187-W215 WeakPolarHBondContact O-CA 3.35Å; V188-W215 HydrophobicContact CG2-CB 4.27Å; W215-K243 HydrophobicContact CH2-CB 4.18Å; W215-K243 HydrophobicContact CH2-CD 4.36Å; W215-K243 HydrophobicContact CH2-CG 3.69Å; W215-K243 HydrophobicContact CZ2-CB 4.25Å; W215-K243 HydrophobicContact CZ2-CG 3.78Å
216R79.6Confident80.7Confident46 Ų4655.7 Ų55.717%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-124.6127.4171.4-64.7-175.7-175179.44.7107.9Y157 R186 I187 F218Y157-R216 PolarHBondContact OH-NH1 3.31Å; R186-R216 CarbonylContact C-O 3.36Å; R186-R216 WeakPolarHBondContact CA-O 3.21Å; I187-R216 PolarHBondContact N-O 2.61Å; I187-R216 PolarHBondContact O-N 3.41Å; R216-F218 HydrophobicContact CB-CD2 4.4Å; R216-F218 HydrophobicContact CB-CE2 3.52Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-F218 WeakPolarHBondContact O-CD2 3.5Å; R216-F218 WeakPolarHBondContact O-CE2 3.44Å
217N81.2Confident80.8Confident14 Ų1456.3 Ų56.38%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-90.9140.9177.6-64.3-67.5000109.7R186 L238 P241R186-N217 WeakPolarHBondContact CB-OD1 3.37Å; N217-L238 HydrophobicContact CB-CB 3.88Å; N217-L238 HydrophobicContact CB-CD1 4.25Å; N217-L238 PolarHBondContact O-N 3.2Å; N217-P241 WeakPolarHBondContact ND2-CD 3.42Å; N217-P241 WeakPolarHBondContact ND2-CG 3.48Å
218F82.5Confident80.9Confident23 Ų2351.4 Ų51.410%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-134149179.4-63.4-87.1000108.3C184 F185 I187 R216 L235 T236 Q237C184-F218 WeakPolarHBondContact CA-O 3.39Å; F185-F218 HydrophobicContact CD1-CB 4.23Å; F185-F218 HydrophobicContact CD2-CB 4Å; F185-F218 HydrophobicContact CD2-CD2 4.25Å; F185-F218 HydrophobicContact CE1-CB 3.75Å; F185-F218 HydrophobicContact CE2-CB 3.51Å; F185-F218 AromaticContact CE2-CD2 3.78Å; F185-F218 HydrophobicContact CE2-CD2 3.78Å; F185-F218 AromaticContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CG-CB 4.35Å; F185-F218 HydrophobicContact CZ-CB 3.38Å; F185-F218 HydrophobicContact CZ-CD2 4.43Å; F185-F218 HydrophobicContact CZ-CG 4.02Å; F185-F218 PolarHBondContact N-O 2.77Å; F185-F218 PolarHBondContact O-N 2.82Å; F185-F218 VanDerWaalsContact O-O 3.1Å; I187-F218 HydrophobicContact CB-CE2 4.1Å; I187-F218 HydrophobicContact CD1-CD2 3.99Å; I187-F218 HydrophobicContact CD1-CE2 3.52Å; I187-F218 HydrophobicContact CD1-CZ 4.22Å; I187-F218 HydrophobicContact CG1-CD2 4Å; I187-F218 HydrophobicContact CG1-CE2 3.79Å; R216-F218 HydrophobicContact CB-CD2 4.4Å; R216-F218 HydrophobicContact CB-CE2 3.52Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-F218 WeakPolarHBondContact O-CD2 3.5Å; R216-F218 WeakPolarHBondContact O-CE2 3.44Å; F218-L235 HydrophobicContact CB-CD1 4.35Å; F218-T236 WeakPolarHBondContact CA-O 3.18Å; F218-Q237 HydrophobicContact CD1-CB 4.05Å; F218-Q237 HydrophobicContact CD1-CG 4.13Å; F218-Q237 HydrophobicContact CE1-CB 3.94Å; F218-Q237 HydrophobicContact CE1-CG 3.8Å; F218-Q237 HydrophobicContact CZ-CG 4.32Å
219R83.3Confident81.3Confident85 Ų8549.6 Ų49.632%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-121.4127.3169.2169.5-177.659.7-169.2-0.4107.9E182 V183 L235 T236 L238E182-R219 HydrophobicContact CG-CG 3.9Å; E182-R219 WeakPolarHBondContact OE1-CD 3.44Å; E182-R219 IonicContact OE1-NH1 2.66Å; V183-R219 CarbonylContact O-C 3.59Å; V183-R219 WeakPolarHBondContact O-CA 3.42Å; R219-L235 WeakPolarHBondContact O-CA 3.05Å; R219-T236 WeakPolarHBondContact CB-OG1 3.4Å; R219-T236 PolarHBondContact N-O 3.04Å; R219-T236 PolarHBondContact NE-OG1 3.5Å; R219-T236 PolarHBondContact NH2-OG1 3.01Å; R219-T236 PolarHBondContact O-N 2.89Å; R219-T236 PolarHBondContact O-OG1 3.24Å; R219-L238 HydrophobicContact CB-CD1 4.15Å; R219-L238 HydrophobicContact CB-CD2 4.26Å; R219-L238 HydrophobicContact CB-CG 4.12Å
220A86.8Confident81.8Confident6 Ų649.4 Ų49.45%0.0524%0.236CC..EExtended strand (participates in β ladder)trans-115.4122.3171.700000109V183 F185 F222 K234 L235V183-A220 PolarHBondContact N-O 2.95Å; V183-A220 PolarHBondContact O-N 2.8Å; F185-A220 HydrophobicContact CE1-CB 3.9Å; A220-F222 HydrophobicContact CB-CE2 3.94Å; A220-K234 CarbonylContact C-O 3.59Å; A220-K234 VanDerWaalsContact CA-O 3.29Å; A220-K234 WeakPolarHBondContact CA-O 3.4Å; A220-L235 HydrophobicContact CB-CD1 4.15Å
221T86.4Confident82.2Confident9 Ų951.9 Ų51.96%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-106.4120.5172.8-49.90000108.7E180 V181 Y223 I233 K234E180-T221 HydrophobicContact CB-CG2 4.19Å; V181-T221 CarbonylContact O-C 3.56Å; V181-T221 WeakPolarHBondContact O-CA 3.31Å; T221-Y223 HydrophobicContact CG2-CD2 4.38Å; T221-Y223 HydrophobicContact CG2-CE1 4.13Å; T221-Y223 HydrophobicContact CG2-CE2 3.8Å; T221-I233 CarbonylContact O-C 3.49Å; T221-I233 WeakPolarHBondContact O-CA 3.18Å; T221-K234 PolarHBondContact N-O 2.84Å; T221-K234 PolarHBondContact O-N 2.89Å
222F87.9Confident82.6Confident17 Ų1747.1 Ų47.18%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-96.5124.1175.5-61.9-102.6000108.5I102 E180 V181 V183 A220 I230 I233I102-F222 HydrophobicContact CD1-CD2 3.95Å; I102-F222 HydrophobicContact CD1-CE2 3.82Å; I102-F222 HydrophobicContact CD1-CG 4.49Å; I102-F222 HydrophobicContact CD1-CZ 4.22Å; I102-F222 HydrophobicContact CG1-CE2 4.3Å; I102-F222 HydrophobicContact CG1-CZ 4.3Å; E180-F222 CarbonylContact C-O 3.54Å; E180-F222 VanDerWaalsContact CA-O 3.3Å; E180-F222 WeakPolarHBondContact CA-O 3.29Å; V181-F222 HydrophobicContact CB-CB 4.27Å; V181-F222 PolarHBondContact N-O 3.36Å; V181-F222 PolarHBondContact O-N 2.87Å; V183-F222 HydrophobicContact CB-CE2 4.35Å; V183-F222 HydrophobicContact CG2-CD2 3.99Å; V183-F222 HydrophobicContact CG2-CE2 3.69Å; A220-F222 HydrophobicContact CB-CE2 3.94Å; F222-I230 HydrophobicContact CD1-CD1 4.34Å; F222-I230 HydrophobicContact CD1-CG2 4.32Å; F222-I233 HydrophobicContact CD1-CD1 3.72Å; F222-I233 HydrophobicContact CD1-CG1 3.67Å; F222-I233 HydrophobicContact CD1-CG2 4.44Å; F222-I233 HydrophobicContact CE1-CD1 3.57Å; F222-I233 HydrophobicContact CE1-CG1 3.98Å; F222-I233 HydrophobicContact CE1-CG2 4.33Å; F222-I233 HydrophobicContact CG-CG1 4.42Å
223Y86.8Confident83Confident60 Ų6042.8 Ų42.824%0.23522%0.215CC..EExtended strand (participates in β ladder)trans-103.5129.7179.7-63.4-91.7000109.2E180 T221 I230 N231 A232 K234E180-Y223 HydrophobicContact CG-CD1 3.54Å; E180-Y223 HydrophobicContact CG-CE1 3.78Å; E180-Y223 HydrophobicContact CG-CG 4.42Å; E180-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E180-Y223 WeakPolarHBondContact OE2-CE1 3.12Å; T221-Y223 HydrophobicContact CG2-CD2 4.38Å; T221-Y223 HydrophobicContact CG2-CE1 4.13Å; T221-Y223 HydrophobicContact CG2-CE2 3.8Å; Y223-I230 CarbonylContact O-C 3.58Å; Y223-I230 WeakPolarHBondContact O-CA 3.49Å; Y223-N231 VanDerWaalsContact C-OD1 3.24Å; Y223-N231 WeakPolarHBondContact CB-OD1 3.32Å; Y223-N231 PolarHBondContact O-N 2.85Å; Y223-N231 PolarHBondContact O-OD1 2.9Å; Y223-A232 HydrophobicContact CD2-CB 3.96Å; Y223-A232 HydrophobicContact CG-CB 4.44Å; Y223-A232 PolarHBondContact N-O 3.07Å; Y223-K234 HydrophobicContact CE2-CB 3.85Å
224L86.1Confident83.5Confident10 Ų1047 Ų475%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-99.2127.9177-74.1166.4000110.6R94 L95 I98 W179 K229 I230R94-L224 HydrophobicContact CG-CD2 4.03Å; L95-L224 HydrophobicContact CB-CD1 3.87Å; L95-L224 HydrophobicContact CD1-CD1 4.21Å; L95-L224 HydrophobicContact CG-CD1 4.29Å; I98-L224 HydrophobicContact CD1-CD1 4.17Å; I98-L224 HydrophobicContact CD1-CD2 3.32Å; I98-L224 HydrophobicContact CD1-CG 4.05Å; W179-L224 HydrophobicContact CB-CB 4.03Å; W179-L224 WeakPolarHBondContact O-CB 3.41Å; W179-L224 PolarHBondContact O-N 2.78Å; L224-K229 CarbonylContact C-O 3.57Å; L224-K229 WeakPolarHBondContact CA-O 3.41Å; L224-I230 HydrophobicContact CD2-CG1 4.15Å
225S83Confident83.7Confident25 Ų2543.1 Ų43.118%0.17522%0.216CC..PPolyproline II helixtrans-67.8165.3168.363.70000111.3K91 S227 G228 K229K91-S225 WeakPolarHBondContact CE-O 3.27Å; S225-S227 PolarHBondContact O-N 2.92Å; S225-S227 VanDerWaalsContact O-N 3.12Å; S225-S227 PolarHBondContact OG-OG 3.45Å; S225-G228 PolarHBondContact O-N 3.17Å; S225-K229 PolarHBondContact N-O 3.05Å; S225-K229 PolarHBondContact OG-N 3.17Å; S225-K229 PolarHBondContact OG-O 3.33Å; S225-K229 VanDerWaalsContact OG-O 3.06Å
226D76.3Confident83.6Confident130 Ų13041.3 Ų41.370%0.69521%0.21SC*.THydrogen-bonded Turntrans-60-23.5174.5-62.1-35.7000114K91 G228K91-D226 IonicContact NZ-OD1 3.39Å; K91-D226 PolarHBondContact NZ-OD1 3.07Å; K91-D226 VanDerWaalsContact NZ-OD1 3.07Å; D226-G228 VanDerWaalsContact C-N 3.27Å; D226-G228 PolarHBondContact O-N 2.8Å
227S75.4Confident83.5Confident92 Ų9242.7 Ų42.764%0.64322%0.218SC*.THydrogen-bonded Turntrans-79.8-1172.455.20000114.6S225S225-S227 PolarHBondContact O-N 2.92Å; S225-S227 VanDerWaalsContact O-N 3.12Å; S225-S227 PolarHBondContact OG-OG 3.45Å
228G75.6Confident82.7Confident7 Ų744.6 Ų44.67%0.07223%0.228CC..SBendtrans73.624.5-175.700000113.7R94 S225 D226R94-G228 WeakPolarHBondContact CD-O 3.49Å; R94-G228 WeakPolarHBondContact CG-O 3.44Å; R94-G228 PolarHBondContact NE-O 2.62Å; S225-G228 PolarHBondContact O-N 3.17Å; D226-G228 VanDerWaalsContact C-N 3.27Å; D226-G228 PolarHBondContact O-N 2.8Å
229K83.3Confident81.4Confident96 Ų9651.1 Ų51.142%0.41726%0.263SS..  trans-101.3149.7171.8-66.1-173.3178.8-176.40110.2D124 L224 S225 N231D124-K229 HydrophobicContact CB-CB 4.26Å; D124-K229 VanDerWaalsContact OD2-CA 3.27Å; D124-K229 WeakPolarHBondContact OD2-CA 3.34Å; L224-K229 CarbonylContact C-O 3.57Å; L224-K229 WeakPolarHBondContact CA-O 3.41Å; S225-K229 PolarHBondContact N-O 3.05Å; S225-K229 PolarHBondContact OG-N 3.17Å; S225-K229 PolarHBondContact OG-O 3.33Å; S225-K229 VanDerWaalsContact OG-O 3.06Å; K229-N231 PolarHBondContact O-N 2.85Å; K229-N231 VanDerWaalsContact O-N 3.11Å
230I84.7Confident79.4Confident1 Ų151.7 Ų51.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-73.9103.6173.5-58169.3000107.8I98 L122 D124 T127 F222 Y223 L224 I233I98-I230 HydrophobicContact CD1-CD1 3.82Å; I98-I230 HydrophobicContact CD1-CG1 3.68Å; I98-I230 HydrophobicContact CG1-CD1 4.2Å; L122-I230 WeakPolarHBondContact O-CD1 3.38Å; D124-I230 PolarHBondContact OD2-N 3.47Å; T127-I230 WeakPolarHBondContact CA-O 3.22Å; T127-I230 WeakPolarHBondContact CB-O 3.11Å; T127-I230 HydrophobicContact CG2-CG2 3.87Å; T127-I230 PolarHBondContact OG1-O 3Å; F222-I230 HydrophobicContact CD1-CD1 4.34Å; F222-I230 HydrophobicContact CD1-CG2 4.32Å; Y223-I230 CarbonylContact O-C 3.58Å; Y223-I230 WeakPolarHBondContact O-CA 3.49Å; L224-I230 HydrophobicContact CD2-CG1 4.15Å; I230-I233 HydrophobicContact CG2-CD1 4.19Å; I230-I233 HydrophobicContact CG2-CG1 3.76Å
231N86Confident77.1Confident73 Ų7354.9 Ų54.939%0.3930%0.298SS..EExtended strand (participates in β ladder)trans-80.4-35.8-178.459.88.4000111.6V128 Y223 K229V128-N231 PolarHBondContact N-O 2.73Å; Y223-N231 VanDerWaalsContact C-OD1 3.24Å; Y223-N231 WeakPolarHBondContact CB-OD1 3.32Å; Y223-N231 PolarHBondContact O-N 2.85Å; Y223-N231 PolarHBondContact O-OD1 2.9Å; K229-N231 PolarHBondContact O-N 2.85Å; K229-N231 VanDerWaalsContact O-N 3.11Å
232A87.9Confident74.5Confident14 Ų1464.2 Ų64.212%0.11634%0.338CS..EExtended strand (participates in β ladder)trans-148.5149.2-17600000111.8V128 Y130 Y223V128-A232 CarbonylContact O-C 3.59Å; V128-A232 WeakPolarHBondContact O-CA 3.49Å; Y130-A232 HydrophobicContact CD2-CB 4.16Å; Y130-A232 HydrophobicContact CE2-CB 3.83Å; Y223-A232 HydrophobicContact CD2-CB 3.96Å; Y223-A232 HydrophobicContact CG-CB 4.44Å; Y223-A232 PolarHBondContact N-O 3.07Å
233I88Confident72Confident16 Ų1670.5 Ų70.58%0.08237%0.366CS..EExtended strand (participates in β ladder)trans-126.9123.2168.7-58.8172.7000107.5L123 T127 V128 V129 Y130 T221 F222 I230L123-I233 HydrophobicContact CD2-CD1 3.54Å; T127-I233 HydrophobicContact CG2-CD1 3.84Å; T127-I233 HydrophobicContact CG2-CG1 3.84Å; V128-I233 PolarHBondContact O-N 2.88Å; V129-I233 CarbonylContact C-O 3.57Å; V129-I233 WeakPolarHBondContact CA-O 3.14Å; V129-I233 HydrophobicContact CG2-CB 4.33Å; Y130-I233 PolarHBondContact N-O 3.5Å; T221-I233 CarbonylContact O-C 3.49Å; T221-I233 WeakPolarHBondContact O-CA 3.18Å; F222-I233 HydrophobicContact CD1-CD1 3.72Å; F222-I233 HydrophobicContact CD1-CG1 3.67Å; F222-I233 HydrophobicContact CD1-CG2 4.44Å; F222-I233 HydrophobicContact CE1-CD1 3.57Å; F222-I233 HydrophobicContact CE1-CG1 3.98Å; F222-I233 HydrophobicContact CE1-CG2 4.33Å; F222-I233 HydrophobicContact CG-CG1 4.42Å; I230-I233 HydrophobicContact CG2-CD1 4.19Å; I230-I233 HydrophobicContact CG2-CG1 3.76Å
234K87.9Confident69.7Low89 Ų8971.8 Ų71.839%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-105.1113.5176-175.4179.4179-178.40110Y130 A220 T221 Y223 T236Y130-K234 CarbonylContact O-C 3.6Å; Y130-K234 WeakPolarHBondContact O-CA 3.39Å; A220-K234 CarbonylContact C-O 3.59Å; A220-K234 VanDerWaalsContact CA-O 3.29Å; A220-K234 WeakPolarHBondContact CA-O 3.4Å; T221-K234 PolarHBondContact N-O 2.84Å; T221-K234 PolarHBondContact O-N 2.89Å; Y223-K234 HydrophobicContact CE2-CB 3.85Å; K234-T236 HydrophobicContact CG-CG2 4.19Å
235L86.2Confident67.4Low50 Ų5076.2 Ų76.226%0.26241%0.408SS..EExtended strand (participates in β ladder)trans-101.9117.9177.1-173.572.1000110.3Y130 Y131 E132 F185 F218 R219 A220Y130-L235 PolarHBondContact O-N 3.19Å; Y131-L235 WeakPolarHBondContact CA-O 3.41Å; E132-L235 PolarHBondContact N-O 3.47Å; F185-L235 HydrophobicContact CE1-CD1 4.12Å; F185-L235 HydrophobicContact CZ-CD1 3.81Å; F218-L235 HydrophobicContact CB-CD1 4.35Å; R219-L235 WeakPolarHBondContact O-CA 3.05Å; A220-L235 HydrophobicContact CB-CD1 4.15Å
236T80.6Confident65.4Low4 Ų478.3 Ų78.33%0.02542%0.42CS..EExtended strand (participates in β ladder)trans-120.9132.9176.755.50000109.9E132 F218 R219 K234 L238E132-T236 HydrophobicContact CB-CG2 4.34Å; E132-T236 VanDerWaalsContact OE2-CG2 3.31Å; E132-T236 WeakPolarHBondContact OE2-CG2 3.34Å; F218-T236 WeakPolarHBondContact CA-O 3.18Å; R219-T236 WeakPolarHBondContact CB-OG1 3.4Å; R219-T236 PolarHBondContact N-O 3.04Å; R219-T236 PolarHBondContact NE-OG1 3.5Å; R219-T236 PolarHBondContact NH2-OG1 3.01Å; R219-T236 PolarHBondContact O-N 2.89Å; R219-T236 PolarHBondContact O-OG1 3.24Å; K234-T236 HydrophobicContact CG-CG2 4.19Å; T236-L238 PolarHBondContact O-N 3.39Å
237Q77.2Confident63.5Low76 Ų7674.3 Ų74.336%0.35541%0.405SS..EExtended strand (participates in β ladder)trans-81.7117.2171.1-172.4-175.7-19.200107.9F218F218-Q237 HydrophobicContact CD1-CB 4.05Å; F218-Q237 HydrophobicContact CD1-CG 4.13Å; F218-Q237 HydrophobicContact CE1-CB 3.94Å; F218-Q237 HydrophobicContact CE1-CG 3.8Å; F218-Q237 HydrophobicContact CZ-CG 4.32Å
238L64.4Low61.7Low54 Ų5471 Ų7128%0.28338%0.38SS..EExtended strand (participates in β ladder)trans-71.9133.3172.6-63.8172.3000108.1N217 R219 T236N217-L238 HydrophobicContact CB-CB 3.88Å; N217-L238 HydrophobicContact CB-CD1 4.25Å; N217-L238 PolarHBondContact O-N 3.2Å; R219-L238 HydrophobicContact CB-CD1 4.15Å; R219-L238 HydrophobicContact CB-CD2 4.26Å; R219-L238 HydrophobicContact CB-CG 4.12Å; T236-L238 PolarHBondContact O-N 3.39Å
239L56.7Low59.9Low159 Ų15977.3 Ų77.383%0.83241%0.408SS*.PPolyproline II helixtrans-53.8141.7167.6-71.1164.8000108.2P241L239-P241 WeakPolarHBondContact O-CD 3.39Å; L239-P241 VanDerWaalsContact O-N 3.14Å
240P40.1Very low57.6Low97 Ų9776 Ų7663%0.6341%0.409SS*.PPolyproline II helixtrans-57.8122.5-17322.5-31.5000110.1
241P38.6Very low55.5Low73 Ų7378.4 Ų78.447%0.47442%0.421SS..PPolyproline II helixtrans-66.3150163.530.2-27.8000108.1N217 L239N217-P241 WeakPolarHBondContact ND2-CD 3.42Å; N217-P241 WeakPolarHBondContact ND2-CG 3.48Å; L239-P241 WeakPolarHBondContact O-CD 3.39Å; L239-P241 VanDerWaalsContact O-N 3.14Å
242F32.3Very low53.3Low205 Ų20576.3 Ų76.390%0.89941%0.41SS*.PPolyproline II helixtrans-46.4140.4179.7-82.8-99.2000112D244F242-D244 PolarHBondContact O-N 3.08Å
243K35.9Very low51Low150 Ų15080.5 Ų80.565%0.65243%0.428SS*.  trans-68.489.6177.3-79.7-172.4167.7-173.70110.4W215W215-K243 HydrophobicContact CH2-CB 4.18Å; W215-K243 HydrophobicContact CH2-CD 4.36Å; W215-K243 HydrophobicContact CH2-CG 3.69Å; W215-K243 HydrophobicContact CZ2-CB 4.25Å; W215-K243 HydrophobicContact CZ2-CG 3.78Å
244D36.9Very low48.6Very low86 Ų8682.6 Ų82.646%0.4644%0.438SS..  trans-87.1110.9159-89.6-26.1000109.7F242 T246 A247F242-D244 PolarHBondContact O-N 3.08Å; D244-T246 PolarHBondContact O-N 3.13Å; D244-A247 PolarHBondContact O-N 3.35Å
245S38.7Very low46.3Very low103 Ų10381 Ų8172%0.7244%0.437SS*.G310 helixtrans-63.5-17.6179.649.60000113.5
246T40.6Very low43.9Very low70 Ų7083.3 Ų83.343%0.42945%0.448SS..G310 helixtrans-82-16.7-179.451.80000113.5D244 L248 H249 S453D244-T246 PolarHBondContact O-N 3.13Å; T246-L248 PolarHBondContact O-N 3.32Å; T246-L248 VanDerWaalsContact O-N 3.13Å; T246-H249 PolarHBondContact O-N 3.39Å; T246-S453 PolarHBondContact OG1-OG 2.68Å
247A36.3Very low41.7Very low46 Ų4690.2 Ų90.238%0.3847%0.473SS..G310 helixtrans-72.7-3.8-176.200000115R186 D244R186-A247 PolarHBondContact NH2-O 2.9Å; D244-A247 PolarHBondContact O-N 3.35Å
248L38.6Very low39.7Very low21 Ų2192 Ų9211%0.1148%0.48CS..G310 helixtrans-96.1-20.7179.8-71.2162.8000112.9T246 L251 N252T246-L248 PolarHBondContact O-N 3.32Å; T246-L248 VanDerWaalsContact O-N 3.13Å; L248-L251 PolarHBondContact O-N 2.97Å; L248-N252 PolarHBondContact O-N 2.87Å; L248-N252 VanDerWaalsContact O-N 3.17Å
249H36.1Very low38.4Very low141 Ų14195 Ų9565%0.65350%0.495SS*.Hα-helixtrans-66.1-42.7-172.6-129.9-38.9000114.7T246 L251T246-H249 PolarHBondContact O-N 3.39Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 3.07Å
250P36.6Very low37.1Very low69 Ų6993.3 Ų93.345%0.44849%0.487SS..Hα-helixtrans-69.9-23.9179.7-18.131000113.5
251L39.5Very low36.7Very low50 Ų5090 Ų9026%0.26247%0.467SS..Hα-helixtrans-95.2-28.5-171.8-73.2160.7000112.9L248 H249 Q253 L254 T255L248-L251 PolarHBondContact O-N 2.97Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 3.07Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-L254 HydrophobicContact CD2-CD1 4.03Å; L251-L254 PolarHBondContact O-N 3.07Å; L251-T255 PolarHBondContact O-N 3.49Å; L251-T255 PolarHBondContact O-OG1 3.23Å
252N40.9Very low36.3Very low30 Ų3092.5 Ų92.516%0.1648%0.483CS..Hα-helixtrans-63-37.4166-81.9-4.9000111.5R166 E210 L248 L254 T255 I256R166-N252 PolarHBondContact NH1-OD1 3.19Å; R166-N252 PolarHBondContact NH2-OD1 3.3Å; E210-N252 VanDerWaalsContact CD-ND2 3.34Å; E210-N252 PolarHBondContact OE1-ND2 3.37Å; E210-N252 PolarHBondContact OE1-OD1 3.01Å; E210-N252 VanDerWaalsContact OE1-OD1 3.14Å; E210-N252 PolarHBondContact OE2-ND2 3.08Å; L248-N252 PolarHBondContact O-N 2.87Å; L248-N252 VanDerWaalsContact O-N 3.17Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.11Å; N252-T255 PolarHBondContact O-N 3.21Å; N252-I256 WeakPolarHBondContact O-CB 3.47Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.09Å; N252-I256 PolarHBondContact O-N 3.01Å
253Q38.6Very low36.2Very low102 Ų10288.1 Ų88.148%0.47748%0.478SS..Hα-helixtrans-62.5-37.1173.5-71.4-172.13.800112.4L251 R257L251-Q253 VanDerWaalsContact C-N 3.29Å; Q253-R257 WeakPolarHBondContact O-CB 3.2Å; Q253-R257 WeakPolarHBondContact O-CD 3.35Å; Q253-R257 WeakPolarHBondContact O-CG 3.44Å; Q253-R257 PolarHBondContact O-N 3.5Å
254L38.3Very low35.9Very low59 Ų5985.7 Ų85.731%0.30947%0.472SS..Hα-helixtrans-72.6-37.5178.3-78.7162.3000112.8L251 N252 R257 K258L251-L254 HydrophobicContact CD2-CD1 4.03Å; L251-L254 PolarHBondContact O-N 3.07Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.11Å; L254-R257 PolarHBondContact O-N 3.29Å; L254-K258 WeakPolarHBondContact O-CB 2.85Å; L254-K258 PolarHBondContact O-N 3.48Å
255T38.8Very low35.7Very low57 Ų5785.8 Ų85.835%0.3548%0.479SS..Hα-helixtrans-69.2-42.8177.1-49.60000110.8L251 N252 K258 I259L251-T255 PolarHBondContact O-N 3.49Å; L251-T255 PolarHBondContact O-OG1 3.23Å; N252-T255 PolarHBondContact O-N 3.21Å; T255-K258 PolarHBondContact O-N 3.37Å; T255-I259 HydrophobicContact CG2-CD1 4.31Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.44Å; T255-I259 PolarHBondContact O-N 2.83Å; T255-I259 VanDerWaalsContact O-N 3.09Å
256I36.7Very low35.3Very low97 Ų9783.2 Ų83.250%0.49747%0.469SS..Hα-helixtrans-63.8-42.4173.4-67.8166.7000110.7N252 K258 I259 L260N252-I256 WeakPolarHBondContact O-CB 3.47Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.09Å; N252-I256 PolarHBondContact O-N 3.01Å; I256-K258 PolarHBondContact O-N 2.87Å; I256-I259 PolarHBondContact O-N 2.85Å; I256-L260 HydrophobicContact CG2-CD1 3.53Å; I256-L260 HydrophobicContact CG2-CG 4.32Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 2.98Å
257R34.2Very low34.8Very low149 Ų14986.9 Ų86.956%0.56248%0.475SS*.Hα-helixtrans-65-36.6175.8-76.8173.7-176.1-169.73.4113.2Q253 L254 L260 A261 L264Q253-R257 WeakPolarHBondContact O-CB 3.2Å; Q253-R257 WeakPolarHBondContact O-CD 3.35Å; Q253-R257 WeakPolarHBondContact O-CG 3.44Å; Q253-R257 PolarHBondContact O-N 3.5Å; L254-R257 PolarHBondContact O-N 3.29Å; R257-L260 PolarHBondContact O-N 3.47Å; R257-A261 PolarHBondContact O-N 2.93Å; R257-A261 VanDerWaalsContact O-N 3.1Å; R257-L264 HydrophobicContact CB-CD1 4.41Å
258K35.9Very low34.5Very low115 Ų11593.4 Ų93.450%0.549%0.49SS..Hα-helixtrans-66.6-36.4173.8-87.2-171.8174.2-174.40112.9L254 T255 I256L254-K258 WeakPolarHBondContact O-CB 2.85Å; L254-K258 PolarHBondContact O-N 3.48Å; T255-K258 PolarHBondContact O-N 3.37Å; I256-K258 PolarHBondContact O-N 2.87Å
259I35.5Very low34Very low116 Ų11697.1 Ų97.160%0.59550%0.502SS*.Hα-helixtrans-71.2-37.4176.4-67.7165.1000111T255 I256T255-I259 HydrophobicContact CG2-CD1 4.31Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.44Å; T255-I259 PolarHBondContact O-N 2.83Å; T255-I259 VanDerWaalsContact O-N 3.09Å; I256-I259 PolarHBondContact O-N 2.85Å
260L30.9Very low33.6Very low124 Ų12493.9 Ų93.965%0.64949%0.489SS*.Hα-helixtrans-82.5-19.7-175.3-69.8170.7000114.6I256 R257I256-L260 HydrophobicContact CG2-CD1 3.53Å; I256-L260 HydrophobicContact CG2-CG 4.32Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 2.98Å; R257-L260 PolarHBondContact O-N 3.47Å
261A31.6Very low33Very low26 Ų2696.3 Ų96.322%0.21551%0.505CS..  trans-145.188.6175.900000110.3R257 S263 L264R257-A261 PolarHBondContact O-N 2.93Å; R257-A261 VanDerWaalsContact O-N 3.1Å; A261-S263 PolarHBondContact O-N 2.91Å; A261-L264 HydrophobicContact CB-CB 4.27Å; A261-L264 HydrophobicContact CB-CD1 3.53Å; A261-L264 HydrophobicContact CB-CG 3.59Å; A261-L264 WeakPolarHBondContact O-CB 3.5Å; A261-L264 PolarHBondContact O-N 3.41Å
262P29.8Very low32.5Very low126 Ų12696.3 Ų96.382%0.81851%0.507SS*.THydrogen-bonded Turntrans-63-11.2177.218.1-23.8000113.4
263S30Very low31.7Very low114 Ų11499.9 Ų99.980%0.79753%0.532SS*.THydrogen-bonded Turntrans-87.8-7.2171.659.10000114.4A261 S265A261-S263 PolarHBondContact O-N 2.91Å; S263-S265 PolarHBondContact O-N 3.24Å
264L30.4Very low31.1Very low99 Ų9998.5 Ų98.552%0.51853%0.531SS..SBendtrans-72.3109170-77.1171.1000107.8R257 A261 G266R257-L264 HydrophobicContact CB-CD1 4.41Å; A261-L264 HydrophobicContact CB-CB 4.27Å; A261-L264 HydrophobicContact CB-CD1 3.53Å; A261-L264 HydrophobicContact CB-CG 3.59Å; A261-L264 WeakPolarHBondContact O-CB 3.5Å; A261-L264 PolarHBondContact O-N 3.41Å; L264-G266 PolarHBondContact O-N 2.95Å; L264-G266 VanDerWaalsContact O-N 3.11Å
265S32Very low30.6Very low88 Ų8898.5 Ų98.562%0.61554%0.536SS*.  trans-48122.6166.150.60000108.5S263 R267S263-S265 PolarHBondContact O-N 3.24Å; S265-R267 PolarHBondContact O-N 2.94Å
266G30.4Very low30Very low49 Ų49102.7 Ų102.751%0.50555%0.551SS.*  trans-60.812.2176.200000114.9L264 R268L264-G266 PolarHBondContact O-N 2.95Å; L264-G266 VanDerWaalsContact O-N 3.11Å; G266-R268 PolarHBondContact O-N 3.02Å
267R30Very low29.4Very low146 Ų146101.7 Ų101.755%0.55157%0.565SS**  trans-76.884.1-179.9-70.9-178.3175.6-173.8-3.3110.4S265 R269S265-R267 PolarHBondContact O-N 2.94Å; R267-R269 HydrophobicContact CB-CG 4.34Å; R267-R269 PolarHBondContact O-N 3.38Å
268R29.6Very low28.9Very low184 Ų184103.6 Ų103.669%0.69458%0.578SS**  -70.696.5125.2-92.2-173.1175.6178.5-2.2104.4G266 L270G266-R268 PolarHBondContact O-N 3.02Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.17Å
269R28.4Very low28.3Very low99 Ų99101.2 Ų101.237%0.37459%0.586SS.*  trans-56.4104.7163.5-80.3-177.9172.2-178.6-1.9105.3R267 P320R267-R269 HydrophobicContact CB-CG 4.34Å; R267-R269 PolarHBondContact O-N 3.38Å; R269-P320 PolarHBondContact NH1-O 3.13Å; R269-P320 VanDerWaalsContact NH1-O 3.1Å
270L26.4Very low27.7Very low73 Ų73105.1 Ų105.138%0.38260%0.601SS.*  trans-54.9136.6143.8-81.1156.2000105.4I172 R268 T272I172-L270 HydrophobicContact CB-CD1 4.05Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.17Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.37Å; L270-T272 PolarHBondContact O-OG1 3.38Å; L270-T272 VanDerWaalsContact O-OG1 3.1Å
271P25.5Very low27.4Very low119 Ų119105.6 Ų105.677%0.77360%0.604SS**  trans-59.598.1178.325.3-31000107.4
272T28.5Very low27Very low51 Ų51109.7 Ų109.731%0.31363%0.631SS.*  trans-98.8123.3171.8150000104.6L96 L270 T274L96-T272 HydrophobicContact CD2-CG2 4.01Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.37Å; L270-T272 PolarHBondContact O-OG1 3.38Å; L270-T272 VanDerWaalsContact O-OG1 3.1Å; T272-T274 PolarHBondContact O-N 3.09Å
273P24.7Very low26.8Very low104 Ų104109.7 Ų109.768%0.67562%0.623SS**  trans-60.8112.7176.424.1-30.4000107.7S275P273-S275 PolarHBondContact O-N 3.49Å
274T26.5Very low26.5Very low73 Ų73112.4 Ų112.445%0.44862%0.623SS.*  trans-78116.9176.721.90000109.5T272 D322T272-T274 PolarHBondContact O-N 3.09Å; T274-D322 PolarHBondContact OG1-OD2 3.31Å
275S25.8Very low26.3Very low60 Ų60116.5 Ų116.542%0.4263%0.632SS.*  trans-82.8123.5158.851.90000109.2P273P273-S275 PolarHBondContact O-N 3.49Å
276H26.7Very low26Very low144 Ų144116.8 Ų116.867%0.66763%0.627SS**  trans68.296.4163.4-51.8-57.7000119F278H276-F278 AromaticContact ND1-CE2 3.94Å
277G24Very low25.9Very low77 Ų77119.1 Ų119.179%0.79463%0.628SS**  trans-148.878.6153.200000109.3G279G277-G279 PolarHBondContact O-N 3.39Å
278F23.8Very low25.8Very low188 Ų188119 Ų11983%0.82564%0.638SS**  trans-64.4102.2177-77.9-84.3000110.2H276H276-F278 AromaticContact ND1-CE2 3.94Å
279G23.9Very low25.6Very low65 Ų65116.9 Ų116.967%0.6764%0.639SS**  trans-105112.9156.400000107.8G277 L281G277-G279 PolarHBondContact O-N 3.39Å; G279-L281 PolarHBondContact O-N 2.84Å; G279-L281 VanDerWaalsContact O-N 3.12Å
280Q23.7Very low25.6Very low198 Ų198117.5 Ų117.593%0.92566%0.659SS**  trans-73.3103-178.7-156.7173.217.400109.1
281L24.5Very low25.7Very low134 Ų134120.9 Ų120.970%0.70268%0.677SS**  trans-93.1110.2165.6-77.9163.9000107.6G279G279-L281 PolarHBondContact O-N 2.84Å; G279-L281 VanDerWaalsContact O-N 3.12Å
282S23.4Very low25.9Very low112 Ų112123 Ų12378%0.78368%0.682SS**  trans-82.6117.7173540000110.1
283L24.5Very low25.9Very low126 Ų126124.2 Ų124.266%0.6670%0.704SS**  trans-88.7114.1169.7-86.7142.7000108.7W302L283-W302 HydrophobicContact CB-CE3 4.28Å; L283-W302 HydrophobicContact CB-CZ3 3.75Å; L283-W302 HydrophobicContact CD2-CD2 3.97Å; L283-W302 HydrophobicContact CD2-CE3 3.2Å; L283-W302 HydrophobicContact CD2-CZ3 3.55Å; L283-W302 HydrophobicContact CG-CE3 4.31Å; L283-W302 HydrophobicContact CG-CZ3 4.19Å
284Q24.6Very low26.1Very low171 Ų171126.3 Ų126.380%0.79971%0.71SS**  trans-96.5133.7170.7-105.7179.5-12.600109.9N286Q284-N286 PolarHBondContact O-N 2.68Å
285R25.3Very low26.1Very low185 Ų185131.6 Ų131.670%0.69873%0.729SS**  trans-75116.7171.4174.6-179.9167.1-178.4-7.6108.5D287R285-D287 IonicContact CZ-OD1 3.48Å; R285-D287 IonicContact CZ-OD2 2.68Å; R285-D287 IonicContact NE-OD1 2.92Å; R285-D287 PolarHBondContact NE-OD1 2.64Å; R285-D287 IonicContact NE-OD2 2.68Å; R285-D287 PolarHBondContact NE-OD2 2.92Å; R285-D287 IonicContact NH2-OD1 2.62Å; R285-D287 PolarHBondContact NH2-OD1 2.68Å; R285-D287 IonicContact NH2-OD2 3.05Å; R285-D287 PolarHBondContact NH2-OD2 2.99Å
286N26.5Very low26.1Very low95 Ų95135.6 Ų135.651%0.50875%0.746SS.*  trans-92110166.7-944.2000108.9Q284 D288Q284-N286 PolarHBondContact O-N 2.68Å; N286-D288 VanDerWaalsContact C-N 3.27Å; N286-D288 PolarHBondContact O-N 3.48Å
287D27.2Very low26Very low98 Ų98136.2 Ų136.252%0.52475%0.754SS.*  trans-82.972.2165.9-70.8-40.3000108.9R285 I289R285-D287 IonicContact CZ-OD1 3.48Å; R285-D287 IonicContact CZ-OD2 2.68Å; R285-D287 IonicContact NE-OD1 2.92Å; R285-D287 PolarHBondContact NE-OD1 2.64Å; R285-D287 IonicContact NE-OD2 2.68Å; R285-D287 PolarHBondContact NE-OD2 2.92Å; R285-D287 IonicContact NH2-OD1 2.62Å; R285-D287 PolarHBondContact NH2-OD1 2.68Å; R285-D287 IonicContact NH2-OD2 3.05Å; R285-D287 PolarHBondContact NH2-OD2 2.99Å; D287-I289 PolarHBondContact O-N 3.2Å; D287-I289 VanDerWaalsContact O-N 3.15Å
288D28.3Very low26.1Very low144 Ų144136 Ų13677%0.7775%0.752SS**  trans-8688.6170.8-105.1-18.1000110.1N286 S290N286-D288 VanDerWaalsContact C-N 3.27Å; N286-D288 PolarHBondContact O-N 3.48Å; D288-S290 PolarHBondContact O-N 3.01Å
289I25.4Very low26.1Very low139 Ų139132 Ų13271%0.71374%0.742SS**  trans-62.499.8163.3-60.1161.6000107D287D287-I289 PolarHBondContact O-N 3.2Å; D287-I289 VanDerWaalsContact O-N 3.15Å
290S28.8Very low26.1Very low112 Ų112134.6 Ų134.678%0.78374%0.74SS**  trans-110.1106.6160.158.80000109.2D288 D292D288-S290 PolarHBondContact O-N 3.01Å; S290-D292 PolarHBondContact O-N 3.24Å
291N27.5Very low26.1Very low144 Ų144132.8 Ų132.877%0.7773%0.729SS**  trans-53.397171.1-66.8-39.4000109.9
292D30.6Very low26.2Very low163 Ų163134 Ų13487%0.87273%0.725SS**  trans-159.3125.5144.1-104.1-26.1000110.4S290 N294S290-D292 PolarHBondContact O-N 3.24Å; D292-N294 PolarHBondContact O-N 3.42Å
293G28.1Very low26.2Very low76 Ų76133 Ų13378%0.78471%0.713SS**  trans-58.5105.9-167.600000112.8
294N28.5Very low26.2Very low148 Ų148134.9 Ų134.979%0.79172%0.724SS**  trans-157.2114.7142.5-105.2-26.1000109D292 N296D292-N294 PolarHBondContact O-N 3.42Å; N294-N296 PolarHBondContact O-N 2.96Å
295H26.4Very low26.1Very low185 Ų185135 Ų13586%0.85672%0.722SS**  trans-54.598.1174.1-69.7-76000110.4
296N25.9Very low26.2Very low144 Ų144133.6 Ų133.677%0.7773%0.728SS**  trans-130.4102.3158.9-85.9-29.6000106.8N294 G298N294-N296 PolarHBondContact O-N 2.96Å; N296-G298 PolarHBondContact O-N 2.78Å
297D25.4Very low26.1Very low157 Ų157133.3 Ų133.384%0.8474%0.739SS**THydrogen-bonded Turntrans-52.3128.8-179.9-68.1-43.1000112
298G25.3Very low25.9Very low73 Ų73137.7 Ų137.775%0.75375%0.753SS**THydrogen-bonded Turntrans82.718.8144.200000119.2N296 I300N296-G298 PolarHBondContact O-N 2.78Å; G298-I300 PolarHBondContact O-N 3.48Å; G298-I300 VanDerWaalsContact O-N 3.12Å
299V24.2Very low25.6Very low102 Ų102138.9 Ų138.962%0.61875%0.754SS**  trans-81.294.7174.3-172.40000110.7F301V299-F301 HydrophobicContact CB-CE2 4.35Å; V299-F301 HydrophobicContact CG1-CD2 4.11Å; V299-F301 HydrophobicContact CG1-CE1 4.45Å; V299-F301 HydrophobicContact CG1-CE2 3.67Å; V299-F301 HydrophobicContact CG1-CZ 3.86Å
300I24.9Very low25.7Very low121 Ų121142.7 Ų142.762%0.62176%0.759SS**  trans-77.6117169.2-60.6172.1000108.2G298 W302G298-I300 PolarHBondContact O-N 3.48Å; G298-I300 VanDerWaalsContact O-N 3.12Å; I300-W302 HydrophobicContact CG2-CZ2 4.46Å
301F23.9Very low25.3Very low159 Ų159146.3 Ų146.370%0.69777%0.769SS**  trans-87.8120.1173-75.5-86.5000110.6V299V299-F301 HydrophobicContact CB-CE2 4.35Å; V299-F301 HydrophobicContact CG1-CD2 4.11Å; V299-F301 HydrophobicContact CG1-CE1 4.45Å; V299-F301 HydrophobicContact CG1-CE2 3.67Å; V299-F301 HydrophobicContact CG1-CZ 3.86Å
302W25.4Very low25.2Very low161 Ų161145.1 Ų145.161%0.6176%0.762SS**  trans-96.6113.8165.1-60.497.6000108.3L283 I300L283-W302 HydrophobicContact CB-CE3 4.28Å; L283-W302 HydrophobicContact CB-CZ3 3.75Å; L283-W302 HydrophobicContact CD2-CD2 3.97Å; L283-W302 HydrophobicContact CD2-CE3 3.2Å; L283-W302 HydrophobicContact CD2-CZ3 3.55Å; L283-W302 HydrophobicContact CG-CE3 4.31Å; L283-W302 HydrophobicContact CG-CZ3 4.19Å; I300-W302 HydrophobicContact CG2-CZ2 4.46Å
303T24.1Very low24.7Very low89 Ų89142.1 Ų142.155%0.54676%0.76SS.*  trans-103.5119.9172300000110F305T303-F305 PolarHBondContact O-N 2.77Å
304L24.5Very low24.6Very low167 Ų167144.6 Ų144.687%0.87476%0.759SS**  trans-78.597.4167.4-109.1137.5000108.2
305F22.8Very low24.3Very low174 Ų174145.6 Ų145.676%0.76377%0.765SS**  trans-82.5116.5168.6-88.1-88.4000109.6T303T303-F305 PolarHBondContact O-N 2.77Å
306N26Very low24.2Very low155 Ų155145.2 Ų145.283%0.82976%0.76SS**  trans-113.8137.1156.3-156.6-5.2000108.7
307A25.3Very low24.2Very low88 Ų88146.2 Ų146.273%0.72776%0.764SS**  trans-59148.3-162.500000114.2
308K22.3Very low24.1Very low190 Ų190145 Ų14583%0.82676%0.756SS**SBendtrans-40.2141.6176.7-72.7170.2173.3173.60113.7
309H23.5Very low24.1Very low170 Ų170149.2 Ų149.279%0.78775%0.754SS**  trans80.5112177.4-50-63.1000113.8
310W26.1Very low24.2Very low219 Ų219148.5 Ų148.583%0.8375%0.751SS**  trans178.995.7131.7-90.527.4000108.5L312W310-L312 HydrophobicContact CD2-CD1 4.09Å; W310-L312 HydrophobicContact CE3-CD1 3.58Å; W310-L312 HydrophobicContact CZ3-CD1 3.98Å; W310-L312 PolarHBondContact O-N 2.76Å
311L21.3Very low24.3Very low187 Ų187149 Ų14998%0.97975%0.749SS**  trans-7390.1160-86.7149.2000107.6
312L24.3Very low24.3Very low120 Ų120146.4 Ų146.463%0.62874%0.743SS**  trans-143.5124.9172.3-97.2150.3000109W310 V314W310-L312 HydrophobicContact CD2-CD1 4.09Å; W310-L312 HydrophobicContact CE3-CD1 3.58Å; W310-L312 HydrophobicContact CZ3-CD1 3.98Å; W310-L312 PolarHBondContact O-N 2.76Å; L312-V314 PolarHBondContact O-N 3.3Å
313A21.6Very low24.3Very low100 Ų100143.8 Ų143.883%0.82674%0.744SS**  trans-49.4121.5177.100000111D315A313-D315 PolarHBondContact O-N 3.02Å
314V24.3Very low24.3Very low128 Ų128144.5 Ų144.578%0.77675%0.748SS**  trans-8482.1-168.6-171.70000110L312 K316L312-V314 PolarHBondContact O-N 3.3Å; V314-K316 VanDerWaalsContact C-N 3.32Å
315D22.2Very low24.4Very low169 Ų169142.7 Ų142.790%0.90474%0.738SS**  trans-97.928.8170.6-125.5-4.3000111.4A313A313-D315 PolarHBondContact O-N 3.02Å
316K24.9Very low24.5Very low176 Ų176139.2 Ų139.277%0.76573%0.731SS**  trans-122.1111.1179.2-76.9-175.5178.2177.80110.4V314 I318V314-K316 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.88Å; K316-I318 VanDerWaalsContact O-N 3.17Å
317I25.2Very low24.4Very low166 Ų166137.1 Ų137.185%0.85173%0.728SS**  trans-58.9115.6168.7-63.2172.1000108.3K319I317-K319 PolarHBondContact O-N 3.48Å
318I25Very low24.5Very low131 Ų131139.9 Ų139.967%0.67273%0.73SS**PPolyproline II helixtrans-62123.7170.1-63.7168.9000106.9K316 F321K316-I318 PolarHBondContact O-N 2.88Å; K316-I318 VanDerWaalsContact O-N 3.17Å; I318-F321 HydrophobicContact CG2-CD1 4.48Å; I318-F321 HydrophobicContact CG2-CE1 4.24Å
319K24.5Very low24.7Very low162 Ų162135.9 Ų135.970%0.70472%0.724SS**PPolyproline II helixtrans-58.1135.6176.7-71.7177.1179.5174.60108.8I317 F321I317-K319 PolarHBondContact O-N 3.48Å; K319-F321 PolarHBondContact O-N 3.38Å; K319-F321 VanDerWaalsContact O-N 3.15Å
320P25.9Very low24.9Very low86 Ų86135 Ų13556%0.55873%0.725SS**PPolyproline II helixtrans-54.3123166.1-15.820.7000108.8R269R269-P320 PolarHBondContact NH1-O 3.13Å; R269-P320 VanDerWaalsContact NH1-O 3.1Å
321F26.9Very low24.9Very low133 Ų133131.4 Ų131.458%0.58372%0.722SS**  trans-108138.5170.552.1-90000107.8I318 K319 V323I318-F321 HydrophobicContact CG2-CD1 4.48Å; I318-F321 HydrophobicContact CG2-CE1 4.24Å; K319-F321 PolarHBondContact O-N 3.38Å; K319-F321 VanDerWaalsContact O-N 3.15Å; F321-V323 HydrophobicContact CD2-CG2 3.8Å; F321-V323 HydrophobicContact CE2-CG2 3.64Å
322D23.7Very low25.2Very low104 Ų104131.5 Ų131.556%0.55672%0.717SS**  trans-76.8125.4170.7-66.8-41.3000108.3T274T274-D322 PolarHBondContact OG1-OD2 3.31Å
323V26Very low25.3Very low106 Ų106129.8 Ų129.864%0.64272%0.721SS**  trans-89.3102.7168.1-179.60000107.1F321 I325F321-V323 HydrophobicContact CD2-CG2 3.8Å; F321-V323 HydrophobicContact CE2-CG2 3.64Å; V323-I325 HydrophobicContact CG1-CG1 4.03Å; V323-I325 PolarHBondContact O-N 3.11Å
324V24.9Very low25.6Very low104 Ų104133.9 Ų133.963%0.6372%0.722SS**  trans-85.5106.7166-176.20000107.2T326V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 HydrophobicContact CG1-CG2 3.83Å; V324-T326 PolarHBondContact O-N 2.74Å; V324-T326 VanDerWaalsContact O-N 3.13Å
325I26Very low25.6Very low129 Ų129133.3 Ų133.366%0.66272%0.724SS**  trans-78.591.8165.7-55.5177.5000106.3V323 S327 I378V323-I325 HydrophobicContact CG1-CG1 4.03Å; V323-I325 PolarHBondContact O-N 3.11Å; I325-S327 PolarHBondContact O-N 3.24Å; I325-I378 HydrophobicContact CD1-CD1 4.04Å
326T24.1Very low25.8Very low101 Ų101128.9 Ų128.962%0.6272%0.718SS**PPolyproline II helixtrans-73.8116.8163.948.70000107.6V324 L328V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 HydrophobicContact CG1-CG2 3.83Å; V324-T326 PolarHBondContact O-N 2.74Å; V324-T326 VanDerWaalsContact O-N 3.13Å; T326-L328 PolarHBondContact O-N 3.5Å; T326-L328 VanDerWaalsContact O-N 3.12Å
327S24.6Very low26Very low110 Ų110127.1 Ų127.177%0.76972%0.722SS**PPolyproline II helixtrans-55.2118.316050.30000107I325I325-S327 PolarHBondContact O-N 3.24Å
328L26.3Very low26Very low146 Ų146126.7 Ų126.776%0.76473%0.727SS**PPolyproline II helixtrans-53.8146.6167.7-102.789.3000108.3T326 D330T326-L328 PolarHBondContact O-N 3.5Å; T326-L328 VanDerWaalsContact O-N 3.12Å; L328-D330 PolarHBondContact O-N 3.24Å
329P27.6Very low26.1Very low106 Ų106123.9 Ų123.969%0.68873%0.73SS**PPolyproline II helixtrans-49.7130.3170.1-18.729.4000108.7D331P329-D331 PolarHBondContact O-N 3.22Å
330D26.9Very low26.3Very low153 Ų153125.4 Ų125.482%0.81874%0.737SS**SBendtrans-60.278.2173.2-89.4-38.1000109.7L328L328-D330 PolarHBondContact O-N 3.24Å
331D25.9Very low26.7Very low142 Ų142130.5 Ų130.576%0.75975%0.75SS**SBendtrans-140101.7163.9-81.4-39.9000105.6P329P329-D331 PolarHBondContact O-N 3.22Å
332Q28.5Very low27.1Very low189 Ų189129.3 Ų129.388%0.88375%0.746SS**SBendtrans103.716.4174.2-52.7-178.613.600119.4H334Q332-H334 PolarHBondContact O-N 3.39Å; Q332-H334 VanDerWaalsContact O-N 3.16Å
333A27.2Very low27.6Very low85 Ų85127.7 Ų127.770%0.70274%0.741SS**  trans-80.498.3165.900000110.8S335A333-S335 PolarHBondContact O-N 3.36Å; A333-S335 VanDerWaalsContact O-N 3.11Å
334H27.2Very low28.1Very low185 Ų185123.1 Ų123.186%0.85671%0.714SS**  trans-50.2118.2167.9-79.3-73.1000111Q332Q332-H334 PolarHBondContact O-N 3.39Å; Q332-H334 VanDerWaalsContact O-N 3.16Å
335S24.1Very low28.7Very low116 Ų116118.8 Ų118.881%0.81169%0.688SS**SBendtrans-39.9128.6169.154.40000113.4A333A333-S335 PolarHBondContact O-N 3.36Å; A333-S335 VanDerWaalsContact O-N 3.11Å
336G26.9Very low29.3Very low76 Ų76115.4 Ų115.478%0.78467%0.671SS**SBendtrans172.8-35.8161.900000117.6
337V27.5Very low30Very low140 Ų140110.6 Ų110.685%0.84864%0.641SS**SBendtrans-133.5-9.9-163.7-1710000114.7G339V337-G339 PolarHBondContact O-N 2.89Å
338V25.6Very low30.7Very low156 Ų156110.6 Ų110.695%0.94563%0.632SS**THydrogen-bonded Turntrans-95.996.8-176-172.20000109.4
339G27.2Very low31.4Very low73 Ų73104.8 Ų104.875%0.75360%0.604SS**THydrogen-bonded Turntrans168-5174.600000119.1V337V337-G339 PolarHBondContact O-N 2.89Å
340K29.7Very low32Very low193 Ų193106.6 Ų106.684%0.83961%0.607SS**  trans-91.7111.2178.5-74.9-175.1178178.60111.1Q342K340-Q342 PolarHBondContact O-N 3.11Å
341K33.4Very low32.8Very low193 Ų193106.7 Ų106.784%0.83961%0.608SS**  trans-48.6111.7160.9-76.9-178.5174.2-175.90108.2
342Q36.1Very low33.2Very low108 Ų108105.3 Ų105.351%0.50560%0.597SS.*  trans-92.8107.5173.4-74.6176.4-17.300108K340 L380K340-Q342 PolarHBondContact O-N 3.11Å; Q342-L380 HydrophobicContact CB-CD2 3.55Å; Q342-L380 HydrophobicContact CG-CD2 4.21Å
343T33.8Very low33.7Very low71 Ų71100.1 Ų100.144%0.43658%0.58SS.*EExtended strand (participates in β ladder)trans-90.7125.5173.9360000109.6F373T343-F373 WeakPolarHBondContact CA-O 3.16Å
344A37.7Very low34.2Very low10 Ų1099 Ų998%0.08356%0.564CS.*EExtended strand (participates in β ladder)trans-92.7136.5168.300000109.1S372 F373 L375 L380A344-S372 CarbonylContact O-C 3.53Å; A344-S372 WeakPolarHBondContact O-CA 3.23Å; A344-F373 PolarHBondContact N-O 3.33Å; A344-F373 PolarHBondContact O-N 2.81Å; A344-L375 HydrophobicContact CB-CD1 4.23Å; A344-L380 HydrophobicContact CB-CD1 4.26Å
345C36.2Very low34.8Very low12 Ų1295.5 Ų95.58%0.08155%0.549CS..EExtended strand (participates in β ladder)trans-114.6122.2178.9-169.40000109.3C356 C370 Q371C345-C356 HydrophobicContact CB-CB 4.12Å; C345-C356 PolarHBondContact O-N 2.85Å; C345-C370 WeakPolarHBondContact SG-CB 3.44Å; C345-Q371 WeakPolarHBondContact CA-O 3.29Å
346I39Very low35.5Very low59 Ų5990.6 Ų90.630%0.30352%0.515SS..EExtended strand (participates in β ladder)trans-115.7132.1176.5-53.3175.4000108.8P353 Q371 F373I346-P353 HydrophobicContact CG2-CB 4.04Å; I346-Q371 PolarHBondContact N-O 3.34Å; I346-Q371 VanDerWaalsContact N-O 3.11Å; I346-Q371 PolarHBondContact O-N 3.38Å; I346-F373 HydrophobicContact CB-CE2 3.96Å; I346-F373 HydrophobicContact CD1-CD2 4.21Å; I346-F373 HydrophobicContact CD1-CE2 3.8Å; I346-F373 HydrophobicContact CG1-CD2 4.26Å; I346-F373 HydrophobicContact CG1-CE2 3.85Å
347C37.7Very low36Very low0 Ų092.8 Ų92.80%051%0.508CS..EExtended strand (participates in β ladder)trans-124.4127-171.8-43.30000107.1T354 C356 I363 C370C347-T354 WeakPolarHBondContact CB-O 3.46Å; C347-T354 PolarHBondContact N-O 2.76Å; C347-T354 PolarHBondContact O-N 2.84Å; C347-T354 PolarHBondContact O-OG1 3.36Å; C347-C356 WeakPolarHBondContact CB-SG 3.39Å; C347-C356 WeakPolarHBondContact SG-CB 3.42Å; C347-C356 CovalentContact SG-SG 2.03Å; C347-C356 PolarHBondContact SG-SG 3.14Å; C347-I363 HydrophobicContact CB-CD1 3.58Å; C347-I363 HydrophobicContact CB-CG1 3.71Å; C347-C370 HydrophobicContact CB-CB 4.34Å; C347-C370 WeakPolarHBondContact SG-CB 3.38Å; C347-C370 PolarHBondContact SG-SG 2.71Å
348L40.7Very low36.8Very low109 Ų10993 Ų9357%0.57150%0.5SS*.EExtended strand (participates in β ladder)trans-89.2111.4175-78.8161000108.2
349S40.3Very low37.4Very low25 Ų2591.5 Ų91.518%0.17549%0.491CS..EExtended strand (participates in β ladder)trans-123.7118.7171.3-1740000108.5D351 H352S349-D351 PolarHBondContact O-N 3.3Å; S349-H352 PolarHBondContact N-O 3Å; S349-H352 VanDerWaalsContact N-O 3.09Å; S349-H352 PolarHBondContact O-N 3.28Å; S349-H352 VanDerWaalsContact O-O 3.11Å
350N41.1Very low37.9Very low143 Ų14391.4 Ų91.477%0.76548%0.476SS*.THydrogen-bonded Turntrans48.453.5177.6-60.8-21.6000113.6H352N350-H352 PolarHBondContact O-N 2.92Å
351D42.4Very low38.3Very low155 Ų15587 Ų8783%0.82946%0.462SS*.THydrogen-bonded Turntrans59.715.4-178.9-57.8-36.6000115.5S349S349-D351 PolarHBondContact O-N 3.3Å
352H35.3Very low38.4Very low113 Ų11383.8 Ų83.852%0.52345%0.446SS..EExtended strand (participates in β ladder)trans-119.9129.7176.5-63.9-32000111S349 N350 T354S349-H352 PolarHBondContact N-O 3Å; S349-H352 VanDerWaalsContact N-O 3.09Å; S349-H352 PolarHBondContact O-N 3.28Å; S349-H352 VanDerWaalsContact O-O 3.11Å; N350-H352 PolarHBondContact O-N 2.92Å; H352-T354 PolarHBondContact O-N 2.98Å
353P38.7Very low38.6Very low81 Ų8179.7 Ų79.753%0.52643%0.427SS..EExtended strand (participates in β ladder)trans-73.2119.2174.428.3-30.9000109.6I346I346-P353 HydrophobicContact CG2-CB 4.04Å
354T38Very low38.8Very low60 Ų6082.5 Ų82.537%0.36845%0.446SS..EExtended strand (participates in β ladder)trans-108.2133.5171.521.30000109.8C347 H352 I363C347-T354 WeakPolarHBondContact CB-O 3.46Å; C347-T354 PolarHBondContact N-O 2.76Å; C347-T354 PolarHBondContact O-N 2.84Å; C347-T354 PolarHBondContact O-OG1 3.36Å; H352-T354 PolarHBondContact O-N 2.98Å; T354-I363 WeakPolarHBondContact OG1-CD1 3.39Å
355M40.2Very low39Very low113 Ų11387 Ų8756%0.55748%0.477SS*.EExtended strand (participates in β ladder)trans-75133.2168.1-80.5-149.874.900109.4M384M355-M384 HydrophobicContact CE-CE 4.34Å; M355-M384 HydrophobicContact SD-CE 4.46Å
356C38.3Very low39.4Very low12 Ų1289.3 Ų89.38%0.08149%0.491CS..PPolyproline II helixtrans-100.2145.5175.2-68.90000111.3C345 C347 I363C345-C356 HydrophobicContact CB-CB 4.12Å; C345-C356 PolarHBondContact O-N 2.85Å; C347-C356 WeakPolarHBondContact CB-SG 3.39Å; C347-C356 WeakPolarHBondContact SG-CB 3.42Å; C347-C356 CovalentContact SG-SG 2.03Å; C347-C356 PolarHBondContact SG-SG 3.14Å; C356-I363 WeakPolarHBondContact SG-CG1 3.16Å
357D38.6Very low39.5Very low122 Ų12295.1 Ų95.165%0.65252%0.516SS*.PPolyproline II helixtrans-70.9145.1-179.6-151.4-11.1000111.5T359 T360D357-T359 PolarHBondContact O-N 2.91Å; D357-T360 PolarHBondContact O-N 3.21Å
358H43.5Very low39.5Very low144 Ų14496.9 Ų96.967%0.66753%0.527SS*.THydrogen-bonded Turntrans-64.1-1.5-158.6-68.2-72.2000116.6
359T38.1Very low39.4Very low125 Ų12597 Ų9777%0.76753%0.534SS*.THydrogen-bonded Turntrans-111-14.8-170.144.70000114.1D357D357-T359 PolarHBondContact O-N 2.91Å
360T36.4Very low39.3Very low71 Ų7196.8 Ų96.844%0.43653%0.532SS..  trans-140.2118.1-175.949.40000109.3D357 Y362D357-T360 PolarHBondContact O-N 3.21Å; T360-Y362 PolarHBondContact O-N 3.12Å
361N39.3Very low39.2Very low102 Ų10294.7 Ų94.755%0.54552%0.518SS..SBendtrans-66.532.8175.4-72.9-23.7000113.5C370N361-C370 VanDerWaalsContact C-SG 3.57Å; N361-C370 PolarHBondContact O-SG 2.03Å
362Y35.7Very low39Very low125 Ų12590.8 Ų90.849%0.4950%0.503SS..EExtended strand (participates in β ladder)trans-150.6144.3-170.9-65.1-78.4000110.4T360T360-Y362 PolarHBondContact O-N 3.12Å
363I40.4Very low39Very low22 Ų2288.8 Ų88.811%0.11349%0.493CS..EExtended strand (participates in β ladder)trans-74.6125.7161.5-59.4175.2000106.9C347 T354 C356 S365 V366C347-I363 HydrophobicContact CB-CD1 3.58Å; C347-I363 HydrophobicContact CB-CG1 3.71Å; T354-I363 WeakPolarHBondContact OG1-CD1 3.39Å; C356-I363 WeakPolarHBondContact SG-CG1 3.16Å; I363-S365 WeakPolarHBondContact CG2-OG 3.49Å; I363-S365 PolarHBondContact O-N 3.13Å; I363-V366 CarbonylContact O-C 3.56Å; I363-V366 PolarHBondContact O-N 2.99Å; I363-V366 VanDerWaalsContact O-N 3.13Å
364P36.7Very low38.8Very low130 Ų13089.8 Ų89.884%0.84450%0.502SS*.THydrogen-bonded Turntrans-57-23.2-177-25.132.1000114.8
365S43.4Very low38.5Very low105 Ų10589 Ų8973%0.73450%0.495SS*.THydrogen-bonded Turntrans-98.7-12.9-177.3550000114.8I363I363-S365 WeakPolarHBondContact CG2-OG 3.49Å; I363-S365 PolarHBondContact O-N 3.13Å
366V42.9Very low38.3Very low59 Ų5986.5 Ų86.536%0.35848%0.484SS..EExtended strand (participates in β ladder)trans-144.9114.2-174.7-168.10000106.4I363 T368I363-V366 CarbonylContact O-C 3.56Å; I363-V366 PolarHBondContact O-N 2.99Å; I363-V366 VanDerWaalsContact O-N 3.13Å; V366-T368 HydrophobicContact CG1-CG2 4.09Å; V366-T368 WeakPolarHBondContact CG1-OG1 3.12Å; V366-T368 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-OG1 3.28Å
367H41Very low38.1Very low181 Ų18189.5 Ų89.584%0.83851%0.505SS*.EExtended strand (participates in β ladder)trans-66.246.4176.2-72.5-51000112.7
368T38.5Very low37.9Very low38 Ų3888.7 Ų88.723%0.23350%0.5CS..EExtended strand (participates in β ladder)trans-83.2127.417516.50000109.4V366 C370V366-T368 HydrophobicContact CG1-CG2 4.09Å; V366-T368 WeakPolarHBondContact CG1-OG1 3.12Å; V366-T368 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-OG1 3.28Å; T368-C370 PolarHBondContact O-N 3.32Å; T368-C370 PolarHBondContact O-SG 3.13Å
369P38.5Very low37.4Very low111 Ų11183.8 Ų83.872%0.72148%0.478SS*.EExtended strand (participates in β ladder)trans-66.1134.4173.826.8-32000109.6
370C38.4Very low37.4Very low20 Ų2078.6 Ų78.614%0.13545%0.446CS..  trans-106.5140.1-176.6-47.20000110C345 C347 N361 T368C345-C370 WeakPolarHBondContact SG-CB 3.44Å; C347-C370 HydrophobicContact CB-CB 4.34Å; C347-C370 WeakPolarHBondContact SG-CB 3.38Å; C347-C370 PolarHBondContact SG-SG 2.71Å; N361-C370 VanDerWaalsContact C-SG 3.57Å; N361-C370 PolarHBondContact O-SG 2.03Å; T368-C370 PolarHBondContact O-N 3.32Å; T368-C370 PolarHBondContact O-SG 3.13Å
371Q38.4Very low37.5Very low100 Ų10080.3 Ų80.347%0.46745%0.449SS..EExtended strand (participates in β ladder)trans-89.2131.9174-83.3-178.3-11.800110.2C345 I346 F373C345-Q371 WeakPolarHBondContact CA-O 3.29Å; I346-Q371 PolarHBondContact N-O 3.34Å; I346-Q371 VanDerWaalsContact N-O 3.11Å; I346-Q371 PolarHBondContact O-N 3.38Å; Q371-F373 HydrophobicContact CB-CE1 4.2Å; Q371-F373 HydrophobicContact CB-CE2 3.99Å; Q371-F373 HydrophobicContact CB-CZ 3.58Å; Q371-F373 WeakPolarHBondContact O-CE2 3.38Å
372S38.1Very low37.3Very low73 Ų7380.4 Ų80.451%0.5145%0.445SS..EExtended strand (participates in β ladder)trans-99.4134.6174.963.30000110.1A344A344-S372 CarbonylContact O-C 3.53Å; A344-S372 WeakPolarHBondContact O-CA 3.23Å
373F35.7Very low37.3Very low70 Ų7080.9 Ų80.931%0.30745%0.447SS..EExtended strand (participates in β ladder)trans-121132.1178.4-48.2-82.8000109.7T343 A344 I346 Q371T343-F373 WeakPolarHBondContact CA-O 3.16Å; A344-F373 PolarHBondContact N-O 3.33Å; A344-F373 PolarHBondContact O-N 2.81Å; I346-F373 HydrophobicContact CB-CE2 3.96Å; I346-F373 HydrophobicContact CD1-CD2 4.21Å; I346-F373 HydrophobicContact CD1-CE2 3.8Å; I346-F373 HydrophobicContact CG1-CD2 4.26Å; I346-F373 HydrophobicContact CG1-CE2 3.85Å; Q371-F373 HydrophobicContact CB-CE1 4.2Å; Q371-F373 HydrophobicContact CB-CE2 3.99Å; Q371-F373 HydrophobicContact CB-CZ 3.58Å; Q371-F373 WeakPolarHBondContact O-CE2 3.38Å
374S35Very low37.4Very low102 Ų10284.6 Ų84.671%0.71346%0.464SS*.EExtended strand (participates in β ladder)trans-83.7110.8168.5163.40000108.3
375L32Very low37.6Very low44 Ų4485.3 Ų85.323%0.2346%0.455CS..  trans-104.8135.7174.8-79.5161.6000110A344 S377 L379 L380A344-L375 HydrophobicContact CB-CD1 4.23Å; L375-S377 PolarHBondContact O-N 3.07Å; L375-L379 HydrophobicContact CD2-CB 4.3Å; L375-L380 HydrophobicContact CB-CB 4.07Å; L375-L380 HydrophobicContact CB-CD1 3.91Å; L375-L380 HydrophobicContact CD1-CD1 3.51Å; L375-L380 HydrophobicContact CG-CD1 4.35Å
376N35Very low37.2Very low60 Ų6086.1 Ų86.132%0.32145%0.446SS..  trans-57.9136.9170.1-149.7-19.1000108.4I378 L379 L380N376-I378 PolarHBondContact O-N 3.03Å; N376-L379 HydrophobicContact CB-CD1 4.27Å; N376-L379 WeakPolarHBondContact O-CB 3.3Å; N376-L379 PolarHBondContact O-N 3.39Å; N376-L380 PolarHBondContact O-N 2.84Å
377S34.3Very low36.7Very low76 Ų7686 Ų8653%0.53145%0.448SS..Hα-helixtrans-54.7-33.6-166.8500000113.7L375 E381L375-S377 PolarHBondContact O-N 3.07Å; S377-E381 WeakPolarHBondContact O-CB 3.32Å; S377-E381 PolarHBondContact O-N 3.16Å
378I33.9Very low36Very low105 Ų10582.6 Ų82.654%0.53844%0.442SS..Hα-helixtrans-71.4-39.7178-61.4170.5000111.9I325 N376 E381 F382I325-I378 HydrophobicContact CD1-CD1 4.04Å; N376-I378 PolarHBondContact O-N 3.03Å; I378-E381 PolarHBondContact O-N 3.33Å; I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 2.9Å
379L33.9Very low35.7Very low41 Ų4185.2 Ų85.222%0.21546%0.462CS..Hα-helixtrans-69.8-36.9177-93.5155.8000111.2L73 L375 N376 F382 Y383L73-L379 HydrophobicContact CD2-CD2 4.1Å; L375-L379 HydrophobicContact CD2-CB 4.3Å; N376-L379 HydrophobicContact CB-CD1 4.27Å; N376-L379 WeakPolarHBondContact O-CB 3.3Å; N376-L379 PolarHBondContact O-N 3.39Å; L379-F382 PolarHBondContact O-N 3.03Å; L379-Y383 WeakPolarHBondContact O-CB 3.29Å; L379-Y383 PolarHBondContact O-N 3.05Å
380L38Very low35.2Very low16 Ų1686.7 Ų86.78%0.08446%0.462CS..Hα-helixtrans-67.4-41.4173.6-163.882.7000111.2Q342 A344 L375 N376 F382 Y383 M384Q342-L380 HydrophobicContact CB-CD2 3.55Å; Q342-L380 HydrophobicContact CG-CD2 4.21Å; A344-L380 HydrophobicContact CB-CD1 4.26Å; L375-L380 HydrophobicContact CB-CB 4.07Å; L375-L380 HydrophobicContact CB-CD1 3.91Å; L375-L380 HydrophobicContact CD1-CD1 3.51Å; L375-L380 HydrophobicContact CG-CD1 4.35Å; N376-L380 PolarHBondContact O-N 2.84Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 2.89Å; L380-Y383 PolarHBondContact O-N 2.92Å; L380-M384 HydrophobicContact CG-CG 4.28Å; L380-M384 WeakPolarHBondContact O-CB 3.49Å; L380-M384 WeakPolarHBondContact O-CG 3.45Å; L380-M384 PolarHBondContact O-N 3.31Å
381E37.5Very low34.7Very low107 Ų10796.5 Ų96.550%0.550%0.497SS..Hα-helixtrans-63.9-39.9176.3-157.3-167.9151.900111.7S377 I378 K385S377-E381 WeakPolarHBondContact O-CB 3.32Å; S377-E381 PolarHBondContact O-N 3.16Å; I378-E381 PolarHBondContact O-N 3.33Å; E381-K385 VanDerWaalsContact O-CB 3.25Å; E381-K385 WeakPolarHBondContact O-CB 3.4Å; E381-K385 PolarHBondContact O-N 3.23Å; E381-K385 IonicContact OE1-NZ 3.94Å; E381-K385 PolarHBondContact OE1-NZ 3.22Å
382F36.9Very low34.1Very low104 Ų10498.4 Ų98.446%0.45651%0.51SS..Hα-helixtrans-67.7-44.7175.6-163.1-92.3000111.9M71 I378 L379 L380 K385 H386M71-F382 HydrophobicContact SD-CE1 3.79Å; M71-F382 HydrophobicContact SD-CZ 4.46Å; I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 2.9Å; L379-F382 PolarHBondContact O-N 3.03Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 2.89Å; F382-K385 PolarHBondContact O-N 3.28Å; F382-H386 AromaticContact CD1-CD2 3.77Å; F382-H386 AromaticContact CD2-CD2 3.86Å; F382-H386 AromaticContact CE1-CD2 3.62Å; F382-H386 AromaticContact CE2-CD2 3.72Å; F382-H386 AromaticContact CE2-NE2 3.62Å; F382-H386 AromaticContact CG-CD2 3.89Å; F382-H386 AromaticContact CZ-CD2 3.59Å; F382-H386 AromaticContact CZ-NE2 3.74Å; F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-CD2 2.92Å; F382-H386 VanDerWaalsContact O-CD2 3.23Å; F382-H386 PolarHBondContact O-N 3Å
383Y35.5Very low33.4Very low135 Ų135102.3 Ų102.353%0.52953%0.525SS..Hα-helixtrans-65.1-40.7177.5-163.7-91.9000111.7L379 L380 H386 S387L379-Y383 WeakPolarHBondContact O-CB 3.29Å; L379-Y383 PolarHBondContact O-N 3.05Å; L380-Y383 PolarHBondContact O-N 2.92Å; Y383-H386 PolarHBondContact O-N 2.94Å; Y383-S387 VanDerWaalsContact O-CB 3.29Å; Y383-S387 WeakPolarHBondContact O-CB 3.35Å; Y383-S387 PolarHBondContact O-N 3.3Å
384M42.6Very low32.9Very low99 Ų99103.9 Ų103.949%0.48854%0.544SS..Hα-helixtrans-67.5-39.6175-72.7-91.816300112.1M355 L380 H386M355-M384 HydrophobicContact CE-CE 4.34Å; M355-M384 HydrophobicContact SD-CE 4.46Å; L380-M384 HydrophobicContact CG-CG 4.28Å; L380-M384 WeakPolarHBondContact O-CB 3.49Å; L380-M384 WeakPolarHBondContact O-CG 3.45Å; L380-M384 PolarHBondContact O-N 3.31Å; M384-H386 VanDerWaalsContact C-N 3.35Å; M384-H386 PolarHBondContact O-N 2.72Å
385K40.9Very low32.6Very low146 Ų146107.1 Ų107.164%0.63555%0.549SS*.Hα-helixtrans-68.9-27.7176.6-92.1172.2171.4157.70114E381 F382E381-K385 VanDerWaalsContact O-CB 3.25Å; E381-K385 WeakPolarHBondContact O-CB 3.4Å; E381-K385 PolarHBondContact O-N 3.23Å; E381-K385 IonicContact OE1-NZ 3.94Å; E381-K385 PolarHBondContact OE1-NZ 3.22Å; F382-K385 PolarHBondContact O-N 3.28Å
386H35Very low32.3Very low122 Ų122112 Ų11257%0.56558%0.575SS**Hα-helixtrans-112.7-2.1-174.7-67.6-65.9000114.4F382 Y383 M384F382-H386 AromaticContact CD1-CD2 3.77Å; F382-H386 AromaticContact CD2-CD2 3.86Å; F382-H386 AromaticContact CE1-CD2 3.62Å; F382-H386 AromaticContact CE2-CD2 3.72Å; F382-H386 AromaticContact CE2-NE2 3.62Å; F382-H386 AromaticContact CG-CD2 3.89Å; F382-H386 AromaticContact CZ-CD2 3.59Å; F382-H386 AromaticContact CZ-NE2 3.74Å; F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-CD2 2.92Å; F382-H386 VanDerWaalsContact O-CD2 3.23Å; F382-H386 PolarHBondContact O-N 3Å; Y383-H386 PolarHBondContact O-N 2.94Å; M384-H386 VanDerWaalsContact C-N 3.35Å; M384-H386 PolarHBondContact O-N 2.72Å
387S30.8Very low31.9Very low55 Ų55114.9 Ų114.939%0.38560%0.595SS.*SBendtrans-68.6136.9168.879.40000109.8Y383 S389Y383-S387 VanDerWaalsContact O-CB 3.29Å; Y383-S387 WeakPolarHBondContact O-CB 3.35Å; Y383-S387 PolarHBondContact O-N 3.3Å; S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 VanDerWaalsContact O-N 3.13Å
388P28Very low31.7Very low110 Ų110116.5 Ų116.571%0.71460%0.601SS**  trans-56.3123.4168.1-16.428000107.8I390P388-I390 VanDerWaalsContact C-N 3.33Å; P388-I390 PolarHBondContact O-N 3.07Å
389S30.8Very low31.5Very low94 Ų94117.9 Ų117.966%0.65761%0.606SS**  trans-5396.8173.31570000109.5S387 R391S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 VanDerWaalsContact O-N 3.13Å; S389-R391 PolarHBondContact O-N 3.23Å
390I29.2Very low31.2Very low142 Ų142125.6 Ų125.673%0.72864%0.637SS**  trans-72.580.9163.9-57.2176.4000105.1P388 N392P388-I390 VanDerWaalsContact C-N 3.33Å; P388-I390 PolarHBondContact O-N 3.07Å; I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.46Å
391R27.3Very low30.8Very low226 Ų226132.4 Ų132.485%0.85367%0.669SS**  trans-67.3102.1168.9-104.8-177.1-172.5-162.81.1106.6S389 N393S389-R391 PolarHBondContact O-N 3.23Å; R391-N393 PolarHBondContact O-N 2.81Å
392N26.1Very low30.4Very low140 Ų140134.9 Ų134.975%0.74967%0.674SS**  trans-46.6129.1162.5-84.1-26.6000109.6I390 S394I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.46Å; N392-S394 PolarHBondContact O-N 2.66Å
393N23.8Very low29.9Very low155 Ų155135 Ų13583%0.82969%0.687SS**SBendtrans-6113162.7-66.9-31000115.1R391R391-N393 PolarHBondContact O-N 2.81Å
394S25.4Very low29.4Very low102 Ų102135.6 Ų135.671%0.71370%0.699SS**  157.1142.7128.954.90000111.6N392N392-S394 PolarHBondContact O-N 2.66Å
395Q27.7Very low28.6Very low171 Ų171138.4 Ų138.480%0.79971%0.709SS**  trans74.199.9154.4-69.1171.6-200118.9
396N24.9Very low27.8Very low145 Ų145138.9 Ų138.978%0.77572%0.716SS**  61.5130.2119.3-80.5-4000120.3
397T27.4Very low27.3Very low121 Ų121144 Ų14474%0.74273%0.732SS**  trans80.8139.1151.663.60000116.7
398T30.2Very low27Very low110 Ų110146 Ų14668%0.67575%0.746SS**  cis-160.2165.810.713.40000110.4K400T398-K400 PolarHBondContact O-N 2.72Å
399E29.6Very low26.8Very low135 Ų135147.2 Ų147.263%0.63175%0.752SS**G310 helixtrans-59.31.9-160.2-69.5174.9131.200119.3Q401 R402E399-Q401 VanDerWaalsContact C-N 3.35Å; E399-R402 IonicContact OE1-CZ 3.91Å; E399-R402 IonicContact OE1-NH1 3.98Å; E399-R402 PolarHBondContact OE1-NH1 2.81Å; E399-R402 IonicContact OE1-NH2 2.75Å
400K28.2Very low26.5Very low202 Ų202147.8 Ų147.888%0.87876%0.756SS**G310 helixtrans-81.3-8.8175.2-89.7-179.6175.4176.40114.8T398T398-K400 PolarHBondContact O-N 2.72Å
401Q29.8Very low26.3Very low160 Ų160152.1 Ų152.175%0.74877%0.765SS**G310 helixtrans-89.62.2171.4-74.2-177.3-21.200113.7E399 S403E399-Q401 VanDerWaalsContact C-N 3.35Å; Q401-S403 VanDerWaalsContact C-N 3.34Å; Q401-S403 PolarHBondContact O-N 3.39Å
402R27.8Very low26.2Very low158 Ų158144.2 Ų144.260%0.59675%0.754SS**G310 helixtrans-75.6-11.8-179.9-80.6-174.3-179.5155.75.3114.9E399E399-R402 IonicContact OE1-CZ 3.91Å; E399-R402 IonicContact OE1-NH1 3.98Å; E399-R402 PolarHBondContact OE1-NH1 2.81Å; E399-R402 IonicContact OE1-NH2 2.75Å
403S26.2Very low26.1Very low106 Ų106143.3 Ų143.374%0.74176%0.758SS**G310 helixtrans-88.3-3.1179.149.60000115.1Q401Q401-S403 VanDerWaalsContact C-N 3.34Å; Q401-S403 PolarHBondContact O-N 3.39Å
404L26.3Very low26.1Very low149 Ų149144.7 Ų144.778%0.7875%0.753SS**G310 helixtrans-100.26.7169.8-93106.3000113.7I406L404-I406 VanDerWaalsContact C-N 3.29Å; L404-I406 PolarHBondContact O-N 3.35Å
405K25.6Very low26.1Very low158 Ų158147 Ų14769%0.68776%0.756SS**THydrogen-bonded Turntrans-8214.1-172.5-107-177.8177.8-173.50116.3
406I24.6Very low25.9Very low156 Ų156143.4 Ų143.480%0.875%0.749SS**THydrogen-bonded Turntrans-98.5-6.2176.1-61.4178.7000112.6L404L404-I406 VanDerWaalsContact C-N 3.29Å; L404-I406 PolarHBondContact O-N 3.35Å
407Y24.8Very low25.8Very low228 Ų228140.4 Ų140.489%0.89474%0.738SS**SBendtrans-106.366171.6-74.1-83.5000111.3
408S23.6Very low25.6Very low97 Ų97140.4 Ų140.468%0.67874%0.738SS**  trans-15660.6175.6174.30000111.5
409T23.5Very low25.4Very low137 Ų137140.6 Ų140.684%0.8473%0.729SS**SBendtrans-157.868.7159.849.40000110.1
410S25.2Very low25.1Very low106 Ų106143.2 Ų143.274%0.74174%0.735SS**SBendtrans-171.9100.3157.6530000110
411Y24.6Very low24.8Very low232 Ų232138.5 Ų138.591%0.9173%0.727SS**  trans39.490.8151.8-69-88.6000117.2S413Y411-S413 PolarHBondContact O-N 2.69Å
412G24.4Very low24.6Very low61 Ų61138.5 Ų138.563%0.62973%0.731SS**  trans-66.4125163.400000110.2Y414G412-Y414 WeakPolarHBondContact O-CD2 3.22Å; G412-Y414 PolarHBondContact O-N 3.2Å; G412-Y414 VanDerWaalsContact O-N 3.11Å
413S25.1Very low24.5Very low120 Ų120137.5 Ų137.584%0.83974%0.738SS**  trans-65105.5173.5-49.50000109.2Y411 I415Y411-S413 PolarHBondContact O-N 2.69Å; S413-I415 PolarHBondContact O-N 3.11Å
414Y23.2Very low24.4Very low184 Ų184140.5 Ų140.572%0.72275%0.745SS**  trans-65.9128.9169.6-66.8-90.3000109.1G412 C416G412-Y414 WeakPolarHBondContact O-CD2 3.22Å; G412-Y414 PolarHBondContact O-N 3.2Å; G412-Y414 VanDerWaalsContact O-N 3.11Å; Y414-C416 PolarHBondContact O-N 3.43Å
415I25.1Very low24.4Very low150 Ų150137.9 Ų137.977%0.76974%0.74SS**  trans-82100.7166.8-62.8172000106.3S413S413-I415 PolarHBondContact O-N 3.11Å
416C23.2Very low24.3Very low97 Ų97136.8 Ų136.866%0.65575%0.746SS**  trans-86.8123.1171.9-72.80000109.8Y414 T418Y414-C416 PolarHBondContact O-N 3.43Å; C416-T418 PolarHBondContact O-N 3.09Å
417P24.2Very low24.4Very low82 Ų82139 Ų13953%0.53275%0.75SS.*  trans-64.212016625.3-29.1000108.9F419P417-F419 HydrophobicContact CB-CE2 4.08Å; P417-F419 HydrophobicContact CB-CZ 4.02Å; P417-F419 HydrophobicContact CG-CE2 3.9Å; P417-F419 HydrophobicContact CG-CZ 4.02Å
418T23.5Very low24.3Very low121 Ų121132.7 Ų132.774%0.74274%0.74SS**  trans-88107.9171.5-19.90000107.8C416C416-T418 PolarHBondContact O-N 3.09Å
419F24.3Very low24.2Very low114 Ų114135.7 Ų135.750%0.575%0.748SS.*  trans-82.9119.7177-63.5-77.9000110.3P417P417-F419 HydrophobicContact CB-CE2 4.08Å; P417-F419 HydrophobicContact CB-CZ 4.02Å; P417-F419 HydrophobicContact CG-CE2 3.9Å; P417-F419 HydrophobicContact CG-CZ 4.02Å
420Y23.6Very low24.1Very low190 Ų190137.7 Ų137.775%0.74575%0.748SS**  trans-100.2108160.2-79.7-85000107.9L422Y420-L422 PolarHBondContact O-N 3.06Å
421S23.3Very low24.1Very low102 Ų102140.5 Ų140.571%0.71375%0.753SS**  trans-69.3125166.3171.90000108.7
422L24Very low23.9Very low160 Ų160133.6 Ų133.684%0.83874%0.743SS**  trans-105.748176.4-151.994.9000110.2Y420 N424Y420-L422 PolarHBondContact O-N 3.06Å; L422-N424 PolarHBondContact O-N 2.98Å
423D25.8Very low23.9Very low137 Ų137136.6 Ų136.673%0.73375%0.75SS**  trans-88.190.6169.7-83.3-26000110.5S425D423-S425 PolarHBondContact O-N 3.33Å
424N25.5Very low23.8Very low169 Ų169137.5 Ų137.590%0.90475%0.75SS**  trans-70.979.5158.9-93.4-21.6000108.9L422L422-N424 PolarHBondContact O-N 2.98Å
425S25.8Very low23.7Very low94 Ų94136.1 Ų136.166%0.65775%0.75SS**  trans-134.2111.7160.878.80000110.8D423 K427D423-S425 PolarHBondContact O-N 3.33Å; S425-K427 PolarHBondContact O-N 3.24Å
426T24.1Very low23.5Very low135 Ų135136.8 Ų136.883%0.82875%0.75SS**  trans-15.2107.1157.950.50000115.2
427K25Very low23.5Very low202 Ų202140.6 Ų140.688%0.87876%0.756SS**  trans177.7129.5130.9-97.6164.1-175.9-177.10109.2S425S425-K427 PolarHBondContact O-N 3.24Å
428S22.4Very low23.4Very low97 Ų97144.9 Ų144.968%0.67877%0.766SS**  trans-56132.5166.853.70000109.7
429D23.4Very low23.5Very low159 Ų159146.6 Ų146.685%0.8577%0.769SS**  trans-144.4121140.2-91.5-35.5000109.5
430H21.3Very low23.3Very low180 Ų180145 Ų14583%0.83377%0.773SS**  trans-63.2129.2170.7-73.5-83.5000109.3
431I24.1Very low23.3Very low165 Ų165145.8 Ų145.885%0.84678%0.78SS**  trans-126.2110.9150.1-60.7-178.7000107.7
432A21.4Very low23.3Very low87 Ų87145.4 Ų145.472%0.71978%0.776SS**  trans-85.3128.5172.100000108.8
433T23.6Very low23.3Very low124 Ų124147.9 Ų147.976%0.76178%0.781SS**  trans-172.6121.6139.229.20000111E435T433-E435 PolarHBondContact O-N 3.26Å
434V22.5Very low23.2Very low138 Ų138145.8 Ų145.884%0.83678%0.782SS**  trans-66.9107.5161.5173.30000107
435E22.2Very low23.1Very low156 Ų156143 Ų14373%0.72978%0.776SS**  trans-117.3110.7161.4-82.6-164.3160.700110.3T433 F437T433-E435 PolarHBondContact O-N 3.26Å; E435-F437 PolarHBondContact O-N 2.85Å
436Q21.5Very low23Very low163 Ų163148 Ų14876%0.76279%0.786SS**  trans-65.6106.3171-69.7173.5-18.100109.8K438Q436-K438 PolarHBondContact O-N 3.44Å
437F22.6Very low23Very low178 Ų178146.5 Ų146.578%0.78178%0.778SS**  trans-83.993.7160.8-87.1-86.8000110.2E435 L439E435-F437 PolarHBondContact O-N 2.85Å; F437-L439 PolarHBondContact O-N 3.22Å
438K21.6Very low23Very low171 Ų171142.1 Ų142.174%0.74377%0.774SS**  trans-70.4101.8161.9-92.3177173.6170.10109.3Q436 S440Q436-K438 PolarHBondContact O-N 3.44Å; K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 3.15Å
439L25.1Very low23.1Very low157 Ų157143.5 Ų143.582%0.82278%0.783SS**  trans-96.759.9160.7-82.1162.4000110.2F437F437-L439 PolarHBondContact O-N 3.22Å
440S21.5Very low23.1Very low82 Ų82140.3 Ų140.357%0.57377%0.773SS**  trans-96.396.5161.1580000107.2K438K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 3.15Å
441K23.3Very low23.2Very low206 Ų206138.7 Ų138.790%0.89677%0.771SS**SBendtrans1627.6157.6-92167.6-176.1-171.80117
442C23.4Very low23.2Very low93 Ų93139.1 Ų139.163%0.62877%0.771SS**SBendtrans-111.4144.1166.1-62.80000108.1
443F24.6Very low23.3Very low213 Ų213138.2 Ų138.293%0.93476%0.76SS**  trans87.156.1-173.2-45.3-68.2000115.6
444A21.9Very low23.2Very low93 Ų93137.1 Ų137.177%0.76976%0.757SS**  trans-83145.9147.300000109.3
445S24Very low23.3Very low109 Ų109135 Ų13576%0.76274%0.744SS**SBendtrans90.692.316968.90000119.8
446F24Very low23.3Very low200 Ų200136 Ų13688%0.87775%0.746SS**  trans70.7155138.6-73.1-83000120.8
447P24.7Very low23.3Very low103 Ų103138.2 Ų138.267%0.66975%0.749SS**  -135.6160.4-60.834.2-15000114.5
448S23.6Very low23.3Very low111 Ų111136.7 Ų136.778%0.77675%0.749SS**  trans74.6110.4164.674.50000118.7S450S448-S450 PolarHBondContact O-N 3.25Å; S448-S450 VanDerWaalsContact O-N 3.15Å
449S25.1Very low23.4Very low126 Ų126133.7 Ų133.788%0.88175%0.748SS**  trans-8179.8-176.657.20000112.5
450S23.5Very low23.3Very low92 Ų92134.3 Ų134.364%0.64374%0.744SS**  trans-96.2139.913651.60000106.6S448S448-S450 PolarHBondContact O-N 3.25Å; S448-S450 VanDerWaalsContact O-N 3.15Å
451D24.3Very low23.3Very low146 Ų146136.9 Ų136.978%0.78175%0.751SS**  trans84.5143.2178.6-53.5-38.1000117.5
452M22.6Very low23.4Very low174 Ų174134 Ų13486%0.85774%0.735SS**  trans97.184.9176.7-53.1-60.9-17700116.9
453S23.6Very low23.5Very low68 Ų68138.8 Ų138.848%0.47675%0.752SS.*  trans-137.588.513865.70000109T246 V455T246-S453 PolarHBondContact OG1-OG 2.68Å; S453-V455 PolarHBondContact O-N 3.33Å
454S22.2Very low23.4Very low100 Ų100135.1 Ų135.170%0.69974%0.743SS**  trans-68.1109.6161.619.70000108.3
455V23.5Very low23.5Very low93 Ų93137.3 Ų137.356%0.56474%0.742SS**  trans-114.5114.3169179.50000108.4S453 Y457S453-V455 PolarHBondContact O-N 3.33Å; V455-Y457 HydrophobicContact CG1-CE2 4.46Å
456F21.7Very low23.5Very low177 Ų177138.8 Ų138.878%0.77674%0.741SS**  trans-58.2131.8176.2-77.5-105.2000111.7
457Y23.3Very low23.5Very low210 Ų210135.2 Ų135.282%0.82473%0.733SS**  trans-123.5104.2156.3-84.5-85.9000108.3V455 C459V455-Y457 HydrophobicContact CG1-CE2 4.46Å; Y457-C459 PolarHBondContact O-N 3.31Å; Y457-C459 VanDerWaalsContact O-N 3.09Å
458L21.9Very low23.4Very low147 Ų147137.3 Ų137.377%0.7774%0.737SS**  trans-62.3105.1164.6-98.7122.3000108.1
459C24.2Very low23.4Very low108 Ų108139 Ų13973%0.7373%0.734SS**  trans-77.2120.6159.8-73.90000107.7Y457 L461Y457-C459 PolarHBondContact O-N 3.31Å; Y457-C459 VanDerWaalsContact O-N 3.09Å; C459-L461 PolarHBondContact O-N 3.24Å; C459-L461 VanDerWaalsContact O-N 3.13Å
460K22.3Very low23.2Very low170 Ų170139.9 Ų139.974%0.73972%0.724SS**  trans-60.7109.8170.7-150.3179.1-174.4-171.20107.4Y462K460-Y462 HydrophobicContact CD-CE2 4.44Å; K460-Y462 PolarHBondContact O-N 3.46Å
461L22.3Very low23.2Very low136 Ų136143.6 Ų143.671%0.71273%0.73SS**  trans-69.5120.9169.8-12997.5000107.3C459C459-L461 PolarHBondContact O-N 3.24Å; C459-L461 VanDerWaalsContact O-N 3.13Å
462Y25.2Very low23.1Very low144 Ų144143.4 Ų143.457%0.56573%0.725SS**  trans-87.5125.4162.6-77.6-99.3000106.9K460K460-Y462 HydrophobicContact CD-CE2 4.44Å; K460-Y462 PolarHBondContact O-N 3.46Å
463I24.5Very low23.2Very low194 Ų194140.6 Ų140.6100%0.99571%0.713SS**  trans-78.30170.4-62.7173.3000108.3D77D77-I463 HydrophobicContact CB-CG2 4.49Å

Retrieved 463 of 463 residues in 64.9 ms (Link to these results)