A0A5K4FAH0_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 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
1M40.6Very low40.4Very low222 Ų222139 Ų139100%1.09476%0.764SS**  0940-90.9172.6159.700106.5
2E36.9Very low40.3Very low200 Ų200139.5 Ų139.594%0.93576%0.762SS**  trans-82.7134.6170.2-68.6174.5127.500108.2
3I46.1Very low40.2Very low138 Ų138142 Ų14271%0.70877%0.765SS**  trans-111.1111.3178.2-61.9176.5000106.2L7I3-L7 HydrophobicContact CG2-CD1 3.46Å; I3-L7 VanDerWaalsContact CG2-CD1 3.46Å
4G46.3Very low40.1Very low50 Ų50135.7 Ų135.752%0.51574%0.737SS.*  trans-70.8165.2-172.200000114.6N6G4-N6 PolarHBondContact O-N 3.21Å
5P37.5Very low39.7Very low133 Ų133131 Ų13186%0.86473%0.733SS**SBendtrans-78.838.3-163.733.9-39.2000115.4
6N42.1Very low39.6Very low108 Ų108126.7 Ų126.758%0.57871%0.707SS**  trans-123.722.2-175.3-78.1-55.9000114.4G4G4-N6 PolarHBondContact O-N 3.21Å
7L39.4Very low39.5Very low133 Ų133127.3 Ų127.370%0.69671%0.709SS**  trans-104.593.3179-92154.6000112.1I3 V9I3-L7 HydrophobicContact CG2-CD1 3.46Å; I3-L7 VanDerWaalsContact CG2-CD1 3.46Å; L7-V9 PolarHBondContact O-N 3.32Å
8C40.1Very low39.3Very low105 Ų105128.7 Ų128.771%0.70971%0.709SS**  trans-72.6103.9167.7-60.50000110.1
9V36Very low39.1Very low134 Ų134131.8 Ų131.881%0.81272%0.717SS**  trans-78.6120.1173.5-179.60000109.4L7L7-V9 PolarHBondContact O-N 3.32Å
10W39.7Very low38.8Very low184 Ų184133.6 Ų133.670%0.69773%0.725SS**  trans-87130.2170.8-68.577.6000109.7I12W10-I12 PolarHBondContact O-N 3.18Å; W10-I12 VanDerWaalsContact O-N 3.11Å
11P39.4Very low38.5Very low122 Ų122135.6 Ų135.679%0.79274%0.735SS**  trans-70.9107.817228.1-31.9000109.6Q13P11-Q13 PolarHBondContact O-N 3.34Å; P11-Q13 VanDerWaalsContact O-N 3.16Å
12I39.1Very low38.2Very low145 Ų145130.3 Ų130.374%0.74472%0.721SS**  trans-73.5104.3168.6-60.9173.5000107.1W10 S14W10-I12 PolarHBondContact O-N 3.18Å; W10-I12 VanDerWaalsContact O-N 3.11Å; I12-S14 PolarHBondContact O-N 3.05Å
13Q39Very low38Very low172 Ų172128.6 Ų128.680%0.80471%0.714SS**  trans-72.586.5171.3-167162.6-5.800108.5P11P11-Q13 PolarHBondContact O-N 3.34Å; P11-Q13 VanDerWaalsContact O-N 3.16Å
14S38.7Very low37.4Very low54 Ų54130.2 Ų130.238%0.37872%0.719SS.*  trans-60.9159.9-179.9-70.60000111.8I12 I118I12-S14 PolarHBondContact O-N 3.05Å; S14-I118 VanDerWaalsContact O-CG1 3.3Å; S14-I118 WeakPolarHBondContact O-CG1 3.34Å; S14-I118 WeakPolarHBondContact O-CG2 3.19Å
15G34.3Very low36.8Very low65 Ų65133.4 Ų133.467%0.6773%0.728SS**  trans-125.495.7178.600000111.1
16I38.6Very low36.6Very low62 Ų62135.1 Ų135.132%0.31873%0.729SS.*  trans-122.796.4-176.7-62.7173.4000109.8H18 V116 N117 I118 L119I16-H18 PolarHBondContact O-N 3.36Å; I16-V116 HydrophobicContact CD1-CG1 3.56Å; I16-N117 WeakPolarHBondContact CB-OD1 3.39Å; I16-N117 WeakPolarHBondContact CD1-OD1 3.49Å; I16-N117 WeakPolarHBondContact CG2-OD1 3.14Å; I16-I118 HydrophobicContact CB-CD1 3.77Å; I16-I118 HydrophobicContact CD1-CD1 3.7Å; I16-I118 HydrophobicContact CG1-CD1 3.62Å; I16-L119 WeakPolarHBondContact O-CD1 3.04Å
17N37.8Very low36Very low137 Ų137135.6 Ų135.673%0.73374%0.741SS**  trans-59.3118.6175.1-58.8-44.1000110.9
18H35.7Very low35.7Very low153 Ų153135.1 Ų135.171%0.70875%0.746SS**  trans-129.658.3171.3-98.5-62.2000111.5I16I16-H18 PolarHBondContact O-N 3.36Å
19E35.4Very low35.3Very low187 Ų187137.8 Ų137.887%0.87475%0.752SS**  trans-146.465164.7-132.1174.4-157.800112.5
20L33.3Very low35.2Very low167 Ų167137.6 Ų137.687%0.87475%0.751SS**  trans-133.682164.5-82.7177.6000109.8
21N32.1Very low34.8Very low176 Ų176137.2 Ų137.294%0.94176%0.757SS**SBendtrans-161.946.6157.3-104.6-20.9000111.9
22S34.6Very low34.5Very low112 Ų112139.6 Ų139.678%0.78376%0.757SS**SBendtrans-159.882.5168.9179.60000110
23M33.1Very low34.2Very low163 Ų163139 Ų13980%0.80376%0.756SS**  trans169.492.9151.5-86.7-104.257.300108.5
24Q34.2Very low33.8Very low173 Ų173138 Ų13881%0.80876%0.756SS**  trans-69.1156.4161.1-70171.2-3300109.5
25T33.2Very low33.4Very low116 Ų116140.6 Ų140.671%0.71277%0.774SS**  trans70.5129.6-177.379.20000112.4
26L32.2Very low33.1Very low169 Ų169146.8 Ų146.889%0.88578%0.783SS**  cis-140.5161.235.7-70157.2000113.1
27S30.4Very low32.7Very low118 Ų118149.3 Ų149.383%0.82580%0.801SS**  trans-87.8165-173.4-60.40000114.5
28P32.7Very low32.2Very low124 Ų124153.1 Ų153.181%0.80581%0.806SS**  trans-96.5160.3-16037.7-36000115.6
29I32.4Very low32Very low161 Ų161150.2 Ų150.283%0.82680%0.803SS**  trans-128.4108.5173.1-64.6-179.6000111.7
30V34.4Very low31.8Very low129 Ų129152.9 Ų152.978%0.78281%0.805SS**  trans48125.9133.6-173.10000120.9
31Q30Very low31.9Very low177 Ų177149.6 Ų149.683%0.82780%0.796SS**  trans-64.5152.6168.4-55.5154.4-71.100113.4
32Q33.1Very low31.9Very low172 Ų172149.3 Ų149.380%0.80480%0.795SS**  trans-171.3148.8130.3-107.8166.939.800115
33N33.1Very low31.8Very low133 Ų133147.5 Ų147.571%0.71179%0.794SS**  trans71.486.8154.6-60.3-16.6000121.5
34N31Very low31.8Very low151 Ų151146.3 Ų146.381%0.80780%0.795SS**  17.6105.1129.7-62.7-2000119.3
35S30.1Very low31.8Very low108 Ų108143.4 Ų143.476%0.75579%0.789SS**  trans-148.2120.5137-176.50000108.6V37S35-V37 PolarHBondContact O-N 3.3Å
36F27.6Very low31.7Very low194 Ų194145.4 Ų145.485%0.85180%0.795SS**  trans-77.294.7-176.6-79.5-90.1000110.9
37V31.4Very low31.8Very low116 Ų116145.2 Ų145.270%0.70379%0.79SS**  trans-84.2114.3164.7179.70000108.5S35 S39S35-V37 PolarHBondContact O-N 3.3Å; V37-S39 PolarHBondContact O-N 2.97Å
38Y27Very low32.1Very low217 Ų217146.9 Ų146.985%0.85179%0.788SS**  trans-78.365.2-179.2-142.6-80.7000111.2R40Y38-R40 PolarHBondContact O-N 3.3Å
39S31.9Very low32.1Very low91 Ų91149.1 Ų149.164%0.63679%0.788SS**  trans-71.1108.7172.7-71.60000109.3V37 S41V37-S39 PolarHBondContact O-N 2.97Å; S39-S41 PolarHBondContact O-N 3.29Å
40R30.3Very low32.3Very low243 Ų243145.8 Ų145.892%0.91778%0.779SS**  trans-74.471.2-174.2-145.9179.9-169.2-1732.5111.2Y38Y38-R40 PolarHBondContact O-N 3.3Å
41S35.5Very low32.5Very low98 Ų98146.9 Ų146.969%0.68578%0.78SS**  trans-76130.7171.747.70000110.9S39S39-S41 PolarHBondContact O-N 3.29Å
42N32.2Very low33.1Very low170 Ų170142.9 Ų142.991%0.90977%0.772SS**  trans39.785.2159.1-59.8-4.6000116.9
43G32.5Very low33.5Very low75 Ų75143.5 Ų143.577%0.77378%0.775SS**  trans-138.674.8166.800000111.3
44V33Very low34.2Very low137 Ų137142.3 Ų142.383%0.8377%0.773SS**  trans-94.3108.5159.6178.10000106.4
45V33.3Very low34.8Very low112 Ų112144.4 Ų144.468%0.67978%0.778SS**  trans-70.5128.3171.1177.90000107.5E47V45-E47 HydrophobicContact CG1-CG 3.99Å; V45-E47 PolarHBondContact O-N 3.07Å
46L32.7Very low35.9Very low159 Ų159146 Ų14683%0.83278%0.777SS**  trans-79.394.7165.4-69.2171.6000107.6L48L46-L48 PolarHBondContact O-N 3.21Å
47E34.4Very low36.4Very low165 Ų165144.5 Ų144.577%0.77177%0.773SS**  trans-76.3112162-67.9-170.7149.500107.5V45 E49V45-E47 HydrophobicContact CG1-CG 3.99Å; V45-E47 PolarHBondContact O-N 3.07Å; E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 2.89Å; E47-E49 VanDerWaalsContact O-N 3.09Å
48L35.7Very low37Very low152 Ų152144.8 Ų144.880%0.79678%0.78SS**  trans-7884.1171.8-74.9164.8000108.1L46 S50L46-L48 PolarHBondContact O-N 3.21Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.03Å; L48-S50 PolarHBondContact O-OG 3.44Å
49E33.7Very low38Very low171 Ų171139.6 Ų139.680%0.79977%0.771SS**  trans-61100161.1-70.2-175.6145.900107.4E47 D51E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 2.89Å; E47-E49 VanDerWaalsContact O-N 3.09Å; E49-D51 PolarHBondContact O-N 3.4Å
50S35.6Very low38.7Very low92 Ų92141 Ų14164%0.64378%0.778SS**  trans-93.292.2178.3-60.30000107.4L48 S52L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.03Å; L48-S50 PolarHBondContact O-OG 3.44Å; S50-S52 PolarHBondContact O-N 3.5Å
51D38.3Very low39.1Very low151 Ų151136.8 Ų136.881%0.80777%0.768SS**  trans-68.575.3173.1-69.4-21.7000110E49 E53E49-D51 PolarHBondContact O-N 3.4Å; D51-E53 PolarHBondContact O-N 3.19Å
52S43.3Very low39.4Very low94 Ų94139.9 Ų139.966%0.65778%0.776SS**  trans-96.470.9168.565.30000109.7S50 T54S50-S52 PolarHBondContact O-N 3.5Å; S52-T54 PolarHBondContact O-N 3.46Å
53E41.9Very low39.8Very low185 Ų185137.2 Ų137.286%0.86476%0.762SS**  trans-73.476.7167.5-65.1-166.7160.400109.7D51 E55D51-E53 PolarHBondContact O-N 3.19Å; E53-E55 PolarHBondContact O-N 3.15Å
54T46.1Very low40.3Very low108 Ų108142.1 Ų142.166%0.66376%0.764SS**  trans-8587.716651.90000109.4S52 L56S52-T54 PolarHBondContact O-N 3.46Å; T54-L56 PolarHBondContact O-N 3.5Å
55E44.2Very low40.8Very low194 Ų194144.4 Ų144.491%0.90777%0.766SS**  trans-69.283.3162.4-70.4-159.5148.800109.7E53E53-E55 PolarHBondContact O-N 3.15Å
56L52.6Low41Very low141 Ų141142.2 Ų142.274%0.73877%0.766SS**  trans-100.597.8167.4-80.2172.2000110.2T54T54-L56 PolarHBondContact O-N 3.5Å
57E39.1Very low41.2Very low164 Ų164140.6 Ų140.677%0.76677%0.765SS**  trans40.484.3133-160.2167.9176.400116.8T59E57-T59 PolarHBondContact O-N 2.87Å
58S44.8Very low41.5Very low122 Ų122140.6 Ų140.685%0.85377%0.768SS**  trans-92.586.4164.2-66.30000110.5
59T46.2Very low41.7Very low108 Ų108141.8 Ų141.866%0.66377%0.77SS**  trans-68.9125.7174.3-16.60000110.5E57 H61E57-T59 PolarHBondContact O-N 2.87Å; T59-H61 PolarHBondContact O-N 3.27Å; T59-H61 VanDerWaalsContact O-N 3.09Å
60P46.9Very low42.1Very low120 Ų120138.6 Ų138.678%0.77977%0.767SS**  trans-78.994.4173.530.4-32.2000110.4L62P60-L62 PolarHBondContact O-N 3.05Å
61H38.8Very low42.3Very low154 Ų154142.6 Ų142.671%0.71377%0.772SS**  trans-75.3109.1166.6-165.4-63.1000109.2T59 D63T59-H61 PolarHBondContact O-N 3.27Å; T59-H61 VanDerWaalsContact O-N 3.09Å; H61-D63 IonicContact CE1-OD1 3.2Å; H61-D63 IonicContact CE1-OD2 3.43Å; H61-D63 PolarHBondContact CE1-OD2 3.13Å; H61-D63 IonicContact ND1-OD2 3.67Å; H61-D63 PolarHBondContact ND1-OD2 2.8Å
62L43.1Very low42.5Very low164 Ų164143.2 Ų143.286%0.85977%0.77SS**  trans-138.2102.2170.9-117.2164.9000109.2P60P60-L62 PolarHBondContact O-N 3.05Å
63D39.7Very low42.2Very low114 Ų114146 Ų14661%0.6177%0.773SS**  trans-59.9134.4171.3-64.1-81000110.5H61H61-D63 IonicContact CE1-OD1 3.2Å; H61-D63 IonicContact CE1-OD2 3.43Å; H61-D63 PolarHBondContact CE1-OD2 3.13Å; H61-D63 IonicContact ND1-OD2 3.67Å; H61-D63 PolarHBondContact ND1-OD2 2.8Å
64H43.7Very low42.1Very low177 Ų177143.5 Ų143.582%0.81976%0.761SS**  trans-164.6114.4133-101.618.2000113.4
65H43.8Very low41.7Very low185 Ų185145.7 Ų145.786%0.85677%0.769SS**  trans6.9132.9147.8-63-83.7000120.7
66G35.5Very low41.3Very low67 Ų67142 Ų14269%0.69176%0.761SS**  trans148.798.114600000115.3
67P37.3Very low40.5Very low124 Ų124141.6 Ų141.681%0.80577%0.769SS**  trans-90.1119.4175.433.6-29.2000111.3
68I41.3Very low40.1Very low165 Ų165143 Ų14385%0.84678%0.775SS**  trans-134.4126.8156.7-77.797.9000109.5
69E39.1Very low39.9Very low178 Ų178142.7 Ų142.783%0.83277%0.774SS**  trans-69.9142.1172.2-48.9164.113000110.6
70S41.9Very low39.1Very low104 Ų104145.8 Ų145.873%0.72778%0.781SS**  175.7110.6127-83.70000115
71K41.5Very low38.4Very low176 Ų176150.5 Ų150.577%0.76578%0.783SS**  56.8123.7122.1-65.8-175.2179.9179.40121.9
72H41.8Very low38.1Very low164 Ų164148.6 Ų148.676%0.75978%0.778SS**  trans67.5146.6159.1-54.5-69.8000115.5
73Q37Very low37.4Very low153 Ų153148 Ų14872%0.71578%0.775SS**  cis-152136.819.7-162.7161.2-7.500114.2
74E39Very low37.1Very low132 Ų132146.2 Ų146.262%0.61778%0.784SS**  trans23.1118150.1-61.3141.9-164.200121.9
75N38.4Very low36.4Very low153 Ų153145.3 Ų145.382%0.81879%0.785SS**  -179.4113.799.9-98.5-55.4000113.6
76P36Very low36.2Very low116 Ų116143.7 Ų143.775%0.75378%0.781SS**  trans-114.6122.4168.134.8-22.3000112.4
77C35.4Very low36Very low133 Ų133147.1 Ų147.190%0.89978%0.783SS**  trans-108.970.2167.8-82.20000111.5
78Q31.7Very low36Very low193 Ų193148.7 Ų148.790%0.90278%0.784SS**  trans-105.4114148-86.3-169-12.900107.9
79S39.8Very low35.6Very low117 Ų117145.4 Ų145.482%0.81878%0.776SS**  trans-122.899.216658.30000109.1
80Q30.4Very low35.3Very low173 Ų173142.3 Ų142.381%0.80877%0.769SS**  trans-68.9-154.6161-158.8172.1-11.800108.8
81W31Very low35Very low219 Ų219143.9 Ų143.983%0.8377%0.77SS**  trans73.5134.5176.2-46.967.5000113.4
82N32.8Very low35Very low114 Ų114141.6 Ų141.661%0.6177%0.766SS**  cis-161.3149.2-8.1-114.1-4000111.4
83N28.9Very low35.2Very low150 Ų150142 Ų14280%0.80277%0.768SS**  trans24.4121.9144.2-53.3-22.5000120.6
84G32.1Very low35.7Very low77 Ų77143 Ų14379%0.79477%0.772SS**  trans-161.362.9171.300000114.2I86G84-I86 PolarHBondContact O-N 3.19Å
85L29.5Very low35.9Very low159 Ų159143 Ų14383%0.83278%0.777SS**  trans-64.9123.8170.9-95.6160.4000111.1
86I38.9Very low36.2Very low150 Ų150146.4 Ų146.477%0.76978%0.78SS**  trans-136.7108.1157-56.9-177.9000108.8G84 L88G84-I86 PolarHBondContact O-N 3.19Å; I86-L88 HydrophobicContact CG2-CD1 4.07Å
87N31.4Very low36.3Very low140 Ų140147.9 Ų147.975%0.74978%0.781SS**  trans-85.6138.8166.5-79.9-24.5000109.9
88L37.2Very low36.6Very low156 Ų156149.8 Ų149.882%0.81778%0.777SS**  trans-151.2101.2147-81.5114.1000105.5I86I86-L88 HydrophobicContact CG2-CD1 4.07Å
89S34.2Very low36.9Very low96 Ų96145.1 Ų145.167%0.67177%0.765SS**  64.38977.1-144.80000110.7
90T32.1Very low36.6Very low114 Ų114146.6 Ų146.670%0.69976%0.762SS**  95.8153.385.950.90000112
91N35.8Very low36.9Very low137 Ų137147.3 Ų147.373%0.73377%0.765SS**  trans80.3135172-65.142.8000114.7
92D42.1Very low37.2Very low128 Ų128145.4 Ų145.468%0.68476%0.763SS**  cis-140.6155.12-67.9-55.5000109.6
93E44.4Very low37.4Very low173 Ų173147.5 Ų147.581%0.80877%0.772SS**  40.7138.7105.3-43.7-161.3155.100115.6
94E49.1Very low37.5Very low173 Ų173146.5 Ų146.581%0.80877%0.767SS**  cis-145.9141.725.9-67.2175.5167.700109.8
95D41.5Very low37.8Very low132 Ų132152.4 Ų152.471%0.70677%0.771SS**  66.1118.299.7-157.89.6000117
96Y45Very low37.9Very low225 Ų225151.3 Ų151.388%0.88277%0.766SS**  trans-166.682.9157.1-116.6-72.4000112
97D39.1Very low37.7Very low147 Ų147152.4 Ų152.479%0.78677%0.768SS**  trans-73126.2164.3-98.4-27.7000111.9
98Q41.9Very low37.7Very low172 Ų172156.3 Ų156.380%0.80477%0.774SS**  trans-176.8138.5150.1-107.5164.431.300109.6
99C37.1Very low37.3Very low96 Ų96156.1 Ų156.165%0.64977%0.774SS**  cis172.5137.1-13.4-1110000104.2
100I33.7Very low37.2Very low148 Ų148158.2 Ų158.276%0.75978%0.776SS**  trans55116.4141.3-55.7172.8000116
101E37.8Very low36.9Very low187 Ų187163.4 Ų163.487%0.87478%0.783SS**  -151.9151.981.5-152.6157.7-135.700114.3
102K35.6Very low36.6Very low179 Ų179163.3 Ų163.378%0.77878%0.783SS**  trans-93.4140.5-175.4-56174.4179.4-177.20110.8
103I37.8Very low35.9Very low158 Ų158163.1 Ų163.181%0.8178%0.782SS**  trans-135.8106.5154-57.7-178.4000108.1F105I103-F105 HydrophobicContact CG2-CD2 4.33Å
104D30.9Very low35.2Very low129 Ų129162.1 Ų162.169%0.6978%0.781SS**  trans-71.8138163.8-64.9-54000109
105F38.6Very low34.2Very low202 Ų202160 Ų16089%0.88678%0.776SS**  trans-150.1116150.9-110-73.8000109.9I103I103-F105 HydrophobicContact CG2-CD2 4.33Å
106D32.3Very low33.7Very low136 Ų136157.9 Ų157.973%0.72777%0.767SS**  trans-74.5146.1-169.2-60-65.7000114.1
107E34.1Very low33Very low173 Ų173151.1 Ų151.181%0.80875%0.746SS**  32.7105.1128.9-167.3174.3-140.400118.5
108Y31.3Very low32.6Very low221 Ų221147 Ų14787%0.86772%0.724SS**  trans-148.885.5141-121.2-79.4000113
109N28.8Very low32.1Very low152 Ų152144 Ų14481%0.81371%0.712SS**  trans-83.4122.2160.6-100.2-68.6000109.4
110L32.4Very low31.9Very low140 Ų140144.1 Ų144.173%0.73371%0.706SS**  trans-168.7100.8155.9-121.894.3000106.6
111R26Very low31.9Very low223 Ų223144.8 Ų144.884%0.84271%0.712SS**  56.192.759.5-138.6-172.4-166.7-160.43.8112.8
112N30.1Very low31.6Very low135 Ų135143.6 Ų143.672%0.72271%0.706SS**  trans-179.6122.4140.8-86.4-30.6000108.6
113N27.2Very low31.4Very low124 Ų124138 Ų13866%0.66370%0.699SS**  83.313257.8-80.8-39.2000114.3
114L29.4Very low31.2Very low152 Ų152138.2 Ų138.280%0.79670%0.702SS**  trans70.4154161-89.184.7000117.6
115N28.6Very low31.1Very low130 Ų130138.7 Ų138.770%0.69571%0.709SS**  cis-169.9136.4-24.1-139.611.2000110.3
116V30.1Very low30.9Very low86 Ų86135.6 Ų135.652%0.52171%0.707SS.*  trans48.6160.8151.9-111.90000124.8I16 I118I16-V116 HydrophobicContact CD1-CG1 3.56Å; V116-I118 HydrophobicContact CG1-CD1 4.32Å
117N31Very low30.9Very low84 Ų84136.3 Ų136.345%0.44971%0.711SS.*  trans79.3110.7160.2-56.8-10.5000117.6I16I16-N117 WeakPolarHBondContact CB-OD1 3.39Å; I16-N117 WeakPolarHBondContact CD1-OD1 3.49Å; I16-N117 WeakPolarHBondContact CG2-OD1 3.14Å
118I29.4Very low30.8Very low61 Ų61139.2 Ų139.231%0.31371%0.714SS.*  cis94.3114.622.3-52.2153.6000115.3S14 I16 V116S14-I118 VanDerWaalsContact O-CG1 3.3Å; S14-I118 WeakPolarHBondContact O-CG1 3.34Å; S14-I118 WeakPolarHBondContact O-CG2 3.19Å; I16-I118 HydrophobicContact CB-CD1 3.77Å; I16-I118 HydrophobicContact CD1-CD1 3.7Å; I16-I118 HydrophobicContact CG1-CD1 3.62Å; V116-I118 HydrophobicContact CG1-CD1 4.32Å
119L32.9Very low31Very low107 Ų107137.4 Ų137.456%0.5671%0.711SS**  -170.9156.4114.3-124.9106.8000113I16I16-L119 WeakPolarHBondContact O-CD1 3.04Å
120N31.2Very low31.2Very low99 Ų99136 Ų13653%0.52971%0.708SS.*  trans-85161.7168.3-92.26.4000110.7
121D33.8Very low31.3Very low163 Ų163138 Ų13887%0.87271%0.713SS**  trans-136.5151.8140-147.5-10.1000111.7
122H32.3Very low31.5Very low162 Ų162136.3 Ų136.375%0.7572%0.72SS**  trans-110.9157.9-167.7-80.6-98.3000112.8
123G32.1Very low31.4Very low62 Ų62132.8 Ų132.864%0.63972%0.715SS**  trans141.293.3146.900000117.3
124N31.9Very low31.8Very low162 Ų162136.2 Ų136.287%0.86672%0.724SS**  170.8115.8107.4-89.5-31000112
125T28.8Very low31.9Very low138 Ų138136.2 Ų136.285%0.84772%0.72SS**  trans-83.9128.9162.7450000109.9
126V35.9Very low32Very low138 Ų138138.6 Ų138.684%0.83673%0.731SS**  trans-132.2125.4161.6-1790000108.7
127D31.5Very low32.2Very low150 Ų150139.7 Ų139.780%0.80274%0.743SS**  trans-60.8140.7-178.7-71.3-82000114
128R33Very low32.4Very low235 Ų235141.7 Ų141.789%0.88775%0.752SS**  trans-146.492150.9-159.6173-65.7179.11.3111.6
129K34.1Very low32.6Very low183 Ų183143.9 Ų143.980%0.79677%0.765SS**  trans-69.5172.4154.3-76.8-179.6175.1175.70109.7
130V33.6Very low32.8Very low123 Ų123146.3 Ų146.375%0.74578%0.778SS**  trans79.6121.3-177.3-169.10000110.1
131E34.3Very low33.2Very low181 Ų181151.1 Ų151.185%0.84679%0.794SS**  cis-151129.520.5-141.4153.1-175.100110.8
132L29.4Very low33.4Very low187 Ų187148.4 Ų148.498%0.97978%0.78SS**  trans-122.895.4172.7-122.6174.5000108.2
133G29Very low33.8Very low61 Ų61147.2 Ų147.263%0.62977%0.774SS**  trans-170.445.5-165.400000115.3
134K35.7Very low34Very low196 Ų196152.5 Ų152.585%0.85278%0.782SS**SBendtrans171.996.3162.3-92.4144.4-173.2176.80108.5
135Q31.6Very low34.2Very low153 Ų153151.2 Ų151.272%0.71578%0.775SS**  trans-174.837.9144.4-144.36116.600114
136I30.6Very low34.8Very low179 Ų179150 Ų15092%0.91876%0.763SS**  trans-103.289.6174.4-57.1173.6000108.5
137S33.7Very low34.8Very low110 Ų110151.6 Ų151.677%0.76976%0.761SS**SBendtrans-169.612.7170.8-164.70000115.9
138I36Very low35Very low125 Ų125151.2 Ų151.264%0.64176%0.759SS**  trans-136.141.6-167.9-32.8-179.7000114.4
139D34.3Very low35.2Very low108 Ų108149.5 Ų149.558%0.57876%0.759SS**  trans-121.3-18177.3-76.5-61000116.1K141 N142 H143D139-K141 PolarHBondContact O-N 2.83Å; D139-N142 PolarHBondContact O-N 3.19Å; D139-H143 PolarHBondContact O-CD2 3.15Å
140D36.1Very low35.4Very low158 Ų158149.6 Ų149.685%0.84576%0.762SS**THydrogen-bonded Turntrans-66.3-4-178.4-66.6-37.9000115.5
141K40Very low35.5Very low200 Ų200151.2 Ų151.287%0.8777%0.766SS**THydrogen-bonded Turntrans-110.4-8.1-178.9-68.8-177.9-179.4174.20114.7D139D139-K141 PolarHBondContact O-N 2.83Å
142N37.9Very low35.6Very low105 Ų105151.6 Ų151.656%0.56177%0.765SS**THydrogen-bonded Turntrans-93.1-12.9-177.8-133.3-7.7000113.2D139 Q144D139-N142 PolarHBondContact O-N 3.19Å; N142-Q144 VanDerWaalsContact C-N 3.33Å; N142-Q144 PolarHBondContact O-N 3.44Å
143H39.9Very low36Very low138 Ų138149 Ų14964%0.63976%0.757SS**THydrogen-bonded Turntrans-76.5-7.1-176.6-72-67.2000115.8D139D139-H143 PolarHBondContact O-CD2 3.15Å
144Q37Very low36.4Very low173 Ų173153.8 Ų153.881%0.80877%0.768SS**THydrogen-bonded Turntrans-99.7-2.7178.9-67.2-169.8-2.900114.7N142N142-Q144 VanDerWaalsContact C-N 3.33Å; N142-Q144 PolarHBondContact O-N 3.44Å
145N36Very low36.9Very low134 Ų134151.1 Ų151.172%0.71776%0.763SS**SBendtrans-94.97.8-177.8-114.4-18000114.4
146L40.7Very low37.1Very low114 Ų114150.9 Ų150.960%0.59777%0.767SS**SBendtrans-11114.6-172-81.7160000114.4
147Q36.7Very low37.8Very low170 Ų170149.8 Ų149.879%0.79476%0.763SS**SBendtrans-11410.9-174.9-95.1168.1-14.400115.7
148N35.6Very low38Very low142 Ų142151.6 Ų151.676%0.75976%0.764SS**  trans-12741.4-177.1-76-26.4000114.1
149F38.2Very low38.1Very low200 Ų200153.1 Ų153.188%0.87777%0.774SS**  trans-136.848.9170.3-77.8-75.6000112.6
150H36.8Very low38.4Very low185 Ų185152.1 Ų152.186%0.85678%0.775SS**SBendtrans-131.2159.6153.8-79.2-86.9000107
151D35.6Very low38.6Very low157 Ų157151.1 Ų151.184%0.8477%0.769SS**  trans67.579.5-172.7-60.6-12.5000116.9
152K37.5Very low39.1Very low188 Ų188148.2 Ų148.282%0.81776%0.764SS**  trans-151.574.1142.8-82.5-147.2175.8-162.60110.9
153T37.8Very low39.9Very low132 Ų132149.3 Ų149.381%0.8177%0.769SS**  trans-142.158.5164.751.30000109.6
154D37.6Very low41.1Very low162 Ų162147.6 Ų147.687%0.86676%0.76SS**  trans-146.741.9173.6-88.4-39.5000109.9
155D45.8Very low43.3Very low141 Ų141145 Ų14575%0.75475%0.752SS**  trans-114.7107.9167.1-81.2-50.9000108.7D157D155-D157 PolarHBondContact O-N 3.14Å; D155-D157 VanDerWaalsContact O-N 3.16Å
156N35.4Very low45.9Very low148 Ų148143.8 Ų143.879%0.79174%0.738SS**  trans-77.486.8-175.4168.848.7000110.8
157D44.7Very low48.3Very low156 Ų156142.2 Ų142.283%0.83473%0.733SS**  trans-122.7111.9166.8-94.2-38.4000111.7D155D155-D157 PolarHBondContact O-N 3.14Å; D155-D157 VanDerWaalsContact O-N 3.16Å
158N38.3Very low51Low147 Ų147134.1 Ų134.179%0.78670%0.696SS**  trans-59.4135.1162.8-65.7-78.2000109.1
159N38.8Very low53.6Low158 Ų158130.5 Ų130.585%0.84569%0.692SS**  157.1135.6125.3-16914.3000112.4
160S40Very low56Low87 Ų87124.1 Ų124.161%0.60866%0.664SS**  trans68.599.4157.9-160.70000119.5
161N39.9Very low58.6Low136 Ų136118.4 Ų118.473%0.72764%0.644SS**  36.8107.2125.5-56.1-16.3000118.3
162N50.3Low61.1Low140 Ų140113.4 Ų113.475%0.74963%0.63SS**  163.499.4128.6-79.9-30.3000109.1K164N162-K164 PolarHBondContact O-N 3.38Å
163N55.8Low63.5Low127 Ų127110 Ų11068%0.67962%0.615SS**  trans-64.699.7176.3-100.754.3000110.6D165N163-D165 PolarHBondContact ND2-OD1 2.93Å; N163-D165 PolarHBondContact ND2-OD2 3Å
164K65.4Low66.2Low103 Ų103107.4 Ų107.445%0.44860%0.596SS.*  trans-103.969.4170.3-63.8-174.5172.6-161.70109.7N162 Y166 D174 F175N162-K164 PolarHBondContact O-N 3.38Å; K164-Y166 PolarHBondContact O-N 3.36Å; K164-D174 HydrophobicContact CB-CB 3.9Å; K164-D174 HydrophobicContact CD-CB 3.69Å; K164-D174 HydrophobicContact CG-CB 4.48Å; K164-D174 PolarHBondContact NZ-O 3.34Å; K164-F175 CarbonylContact C-O 3.31Å; K164-F175 WeakPolarHBondContact CA-O 3.3Å
165D82.7Confident68.8Low118 Ų118100.6 Ų100.663%0.63156%0.559SS**  trans-74.6-3.3-175-64-43000113.4N163N163-D165 PolarHBondContact ND2-OD1 2.93Å; N163-D165 PolarHBondContact ND2-OD2 3Å
166Y89.4Confident70.9Confident108 Ų10895.6 Ų95.642%0.42454%0.541SS..EExtended strand (participates in β ladder)trans-119.3132.8-175.3-59.3-84.9000111K164 F175 A178K164-Y166 PolarHBondContact O-N 3.36Å; Y166-F175 PolarHBondContact N-O 2.89Å; Y166-F175 PolarHBondContact O-N 3.08Å; Y166-A178 HydrophobicContact CD1-CB 4Å; Y166-A178 HydrophobicContact CE1-CB 3.76Å
167T92.1Very high73.4Confident81 Ų8191.2 Ų91.250%0.49752%0.519SS..EExtended strand (participates in β ladder)trans-132.8141.8-178.575.20000111.3G169 F173 D174T167-G169 PolarHBondContact O-N 3.26Å; T167-F173 CarbonylContact C-O 3.26Å; T167-F173 VanDerWaalsContact CA-O 3.3Å; T167-F173 WeakPolarHBondContact CA-O 3.39Å; T167-D174 HydrophobicContact CG2-CB 4.43Å; T167-D174 WeakPolarHBondContact CG2-OD1 3.44Å
168C94.3Very high75.6Confident1 Ų186.3 Ų86.31%0.00750%0.5CS..  trans-74.4120.2178.7173.60000110.7F170 C171 G172 F173 F175 V181 H184 H189C168-F170 PolarHBondContact O-N 3.28Å; C168-F170 VanDerWaalsContact O-N 3.13Å; C168-F170 PolarHBondContact SG-N 2.9Å; C168-F170 VanDerWaalsContact SG-N 3.42Å; C168-C171 PolarHBondContact O-N 3Å; C168-G172 VanDerWaalsContact O-CA 3.32Å; C168-G172 WeakPolarHBondContact O-CA 3.23Å; C168-G172 PolarHBondContact O-N 3.15Å; C168-F173 PolarHBondContact N-O 3.43Å; C168-F175 HydrophobicContact CB-CE2 3.81Å; C168-V181 HydrophobicContact CB-CG1 4.44Å; C168-H184 PolarHBondContact SG-CD2 2.98Å; C168-H184 PolarHBondContact SG-NE2 3.36Å; C168-H184 VanDerWaalsContact SG-NE2 3.39Å; C168-H189 VanDerWaalsContact SG-CD2 3.58Å
169G88.7Confident77.9Confident66 Ų6686.5 Ų86.568%0.6850%0.496SS*.THydrogen-bonded Turntrans-63.3-17.7179.900000115.5T167 M300T167-G169 PolarHBondContact O-N 3.26Å; G169-M300 WeakPolarHBondContact O-CE 3.35Å
170F88.9Confident80.4Confident65 Ų6583.1 Ų83.129%0.28548%0.476SS..THydrogen-bonded Turntrans-90.2-34-178.8-64.7-94000113.9C168 V185 H189 N192 M300C168-F170 PolarHBondContact O-N 3.28Å; C168-F170 VanDerWaalsContact O-N 3.13Å; C168-F170 PolarHBondContact SG-N 2.9Å; C168-F170 VanDerWaalsContact SG-N 3.42Å; F170-V185 HydrophobicContact CD2-CG1 4.39Å; F170-V185 HydrophobicContact CD2-CG2 3.99Å; F170-V185 HydrophobicContact CE2-CG1 3.8Å; F170-V185 HydrophobicContact CE2-CG2 4.1Å; F170-H189 HydrophobicContact CB-CB 4.28Å; F170-H189 VanDerWaalsContact CB-CD2 3.41Å; F170-H189 WeakPolarHBondContact CB-CD2 3.31Å; F170-H189 VanDerWaalsContact CB-CG 3.45Å; F170-H189 WeakPolarHBondContact CB-NE2 3.3Å; F170-H189 HydrophobicContact CD1-CB 4Å; F170-H189 HydrophobicContact CD2-CB 3.93Å; F170-H189 AromaticContact CD2-CD2 3.88Å; F170-H189 AromaticContact CD2-CG 3.89Å; F170-H189 HydrophobicContact CE1-CB 4.31Å; F170-H189 HydrophobicContact CE2-CB 4.22Å; F170-H189 HydrophobicContact CG-CB 3.82Å; F170-H189 AromaticContact CG-CD2 3.79Å; F170-H189 AromaticContact CG-CG 3.55Å; F170-H189 AromaticContact CG-ND1 4Å; F170-H189 HydrophobicContact CZ-CB 4.41Å; F170-N192 HydrophobicContact CD1-CB 3.91Å; F170-N192 HydrophobicContact CE1-CB 3.6Å; F170-M300 HydrophobicContact CB-CE 4.07Å; F170-M300 HydrophobicContact CB-SD 4.35Å; F170-M300 HydrophobicContact CD1-CE 3.39Å; F170-M300 HydrophobicContact CD1-SD 3.31Å; F170-M300 WeakPolarHBondContact CD1-SD 3.43Å; F170-M300 HydrophobicContact CD2-CE 4.24Å; F170-M300 HydrophobicContact CE1-CE 3.81Å; F170-M300 HydrophobicContact CE1-SD 3.83Å; F170-M300 HydrophobicContact CG-CE 3.62Å; F170-M300 HydrophobicContact CG-SD 4.04Å; F170-M300 HydrophobicContact CZ-CE 4.4Å
171C91.5Very high82.9Confident66 Ų6680.1 Ų80.145%0.44645%0.453SS..THydrogen-bonded Turntrans-127.5-6.3-175.2700000114.8C168 F173 H184C168-C171 PolarHBondContact O-N 3Å; C171-F173 VanDerWaalsContact C-N 3.31Å; C171-F173 PolarHBondContact O-N 2.68Å; C171-F173 VanDerWaalsContact SG-CB 3.58Å; C171-H184 PolarHBondContact SG-NE2 2.97Å
172G88.4Confident85.2Confident52 Ų5280 Ų8054%0.53645%0.448SS..  trans72.615.9-179.500000115.1C168C168-G172 VanDerWaalsContact O-CA 3.32Å; C168-G172 WeakPolarHBondContact O-CA 3.23Å; C168-G172 PolarHBondContact O-N 3.15Å
173F88.5Confident87Confident117 Ų11779.1 Ų79.151%0.51344%0.44SS..  trans-78.7141.4179.1-164.4-82.3000111.9T167 C168 C171 F175T167-F173 CarbonylContact C-O 3.26Å; T167-F173 VanDerWaalsContact CA-O 3.3Å; T167-F173 WeakPolarHBondContact CA-O 3.39Å; C168-F173 PolarHBondContact N-O 3.43Å; C171-F173 VanDerWaalsContact C-N 3.31Å; C171-F173 PolarHBondContact O-N 2.68Å; C171-F173 VanDerWaalsContact SG-CB 3.58Å; F173-F175 HydrophobicContact CB-CE2 3.91Å; F173-F175 HydrophobicContact CB-CZ 4.12Å; F173-F175 HydrophobicContact CD1-CD1 4.28Å; F173-F175 HydrophobicContact CD1-CD2 4.19Å; F173-F175 AromaticContact CD1-CE1 3.71Å; F173-F175 HydrophobicContact CD1-CE1 3.71Å; F173-F175 AromaticContact CD1-CE2 3.6Å; F173-F175 HydrophobicContact CD1-CE2 3.6Å; F173-F175 AromaticContact CD1-CZ 3.31Å; F173-F175 HydrophobicContact CD1-CZ 3.31Å; F173-F175 HydrophobicContact CE1-CD1 4.49Å; F173-F175 HydrophobicContact CE1-CE1 4.01Å; F173-F175 HydrophobicContact CE1-CZ 4.07Å; F173-F175 HydrophobicContact CG-CE2 4.22Å; F173-F175 HydrophobicContact CG-CZ 4.06Å; F173-F175 WeakPolarHBondContact O-CD2 3.24Å; F173-F175 WeakPolarHBondContact O-CE2 3.47Å
174D92.8Very high88.8Confident76 Ų7674.5 Ų74.541%0.40641%0.414SS..EExtended strand (participates in β ladder)trans-100.8136.1-173.6-48.3-42.8000113.5K164 T167K164-D174 HydrophobicContact CB-CB 3.9Å; K164-D174 HydrophobicContact CD-CB 3.69Å; K164-D174 HydrophobicContact CG-CB 4.48Å; K164-D174 PolarHBondContact NZ-O 3.34Å; T167-D174 HydrophobicContact CG2-CB 4.43Å; T167-D174 WeakPolarHBondContact CG2-OD1 3.44Å
175F93.5Very high90Very high20 Ų2070.9 Ų70.99%0.08840%0.401CS..EExtended strand (participates in β ladder)trans-130.6152.6-171.6-61.4-84.5000112.2K164 Y166 C168 F173 Q180 V181 H184K164-F175 CarbonylContact C-O 3.31Å; K164-F175 WeakPolarHBondContact CA-O 3.3Å; Y166-F175 PolarHBondContact N-O 2.89Å; Y166-F175 PolarHBondContact O-N 3.08Å; C168-F175 HydrophobicContact CB-CE2 3.81Å; F173-F175 HydrophobicContact CB-CE2 3.91Å; F173-F175 HydrophobicContact CB-CZ 4.12Å; F173-F175 HydrophobicContact CD1-CD1 4.28Å; F173-F175 HydrophobicContact CD1-CD2 4.19Å; F173-F175 AromaticContact CD1-CE1 3.71Å; F173-F175 HydrophobicContact CD1-CE1 3.71Å; F173-F175 AromaticContact CD1-CE2 3.6Å; F173-F175 HydrophobicContact CD1-CE2 3.6Å; F173-F175 AromaticContact CD1-CZ 3.31Å; F173-F175 HydrophobicContact CD1-CZ 3.31Å; F173-F175 HydrophobicContact CE1-CD1 4.49Å; F173-F175 HydrophobicContact CE1-CE1 4.01Å; F173-F175 HydrophobicContact CE1-CZ 4.07Å; F173-F175 HydrophobicContact CG-CE2 4.22Å; F173-F175 HydrophobicContact CG-CZ 4.06Å; F173-F175 WeakPolarHBondContact O-CD2 3.24Å; F173-F175 WeakPolarHBondContact O-CE2 3.47Å; F175-Q180 HydrophobicContact CB-CB 4.01Å; F175-Q180 HydrophobicContact CD1-CB 3.67Å; F175-Q180 HydrophobicContact CG-CB 4.13Å; F175-V181 HydrophobicContact CB-CG2 3.86Å; F175-V181 HydrophobicContact CD2-CB 4.46Å; F175-V181 HydrophobicContact CD2-CG2 3.65Å; F175-V181 HydrophobicContact CE2-CG2 4.49Å; F175-V181 HydrophobicContact CG-CG2 3.94Å; F175-H184 HydrophobicContact CE1-CB 3.82Å; F175-H184 HydrophobicContact CE2-CB 4.22Å; F175-H184 AromaticContact CE2-CG 3.97Å; F175-H184 HydrophobicContact CZ-CB 3.48Å; F175-H184 VanDerWaalsContact CZ-CB 3.48Å; F175-H184 AromaticContact CZ-CD2 3.76Å; F175-H184 AromaticContact CZ-CE1 3.98Å; F175-H184 AromaticContact CZ-CG 3.27Å; F175-H184 AromaticContact CZ-ND1 3.46Å; F175-H184 WeakPolarHBondContact CZ-ND1 3.45Å
176G89.8Confident90.4Very high36 Ų3669.7 Ų69.737%0.37139%0.394SS..SBendtrans-81.9-25.1179.600000114
177T88.4Confident90.4Very high56 Ų5670 Ų7034%0.34440%0.402SS..SBendtrans-134.7158.7-178.769.20000112E179 Q180T177-E179 VanDerWaalsContact C-N 3.35Å; T177-Q180 PolarHBondContact O-N 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.11Å; T177-Q180 PolarHBondContact OG1-N 3.15Å
178A89.6Confident90.1Very high52 Ų5272.9 Ų72.943%0.4341%0.408SS..Hα-helixtrans-64.2-38.6175.600000112.4Y166 Q180 V181 E182Y166-A178 HydrophobicContact CD1-CB 4Å; Y166-A178 HydrophobicContact CE1-CB 3.76Å; A178-Q180 VanDerWaalsContact C-N 3.3Å; A178-Q180 PolarHBondContact O-N 2.82Å; A178-V181 WeakPolarHBondContact O-CB 3.38Å; A178-V181 PolarHBondContact O-N 2.74Å; A178-E182 PolarHBondContact O-N 3.3Å
179E87.6Confident89.9Confident152 Ų15273.8 Ų73.871%0.7141%0.412SS*.Hα-helixtrans-58.7-40.2178.1-64.8171176.200111.9T177 V181 E182 E183T177-E179 VanDerWaalsContact C-N 3.35Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 3.16Å; E179-E182 PolarHBondContact O-N 3.11Å; E179-E183 PolarHBondContact O-N 3.23Å
180Q91Very high89.4Confident87 Ų8773.3 Ų73.341%0.40740%0.396SS..Hα-helixtrans-64.3-32.8175-72.7172.9-3.600112.7F175 T177 A178 H184F175-Q180 HydrophobicContact CB-CB 4.01Å; F175-Q180 HydrophobicContact CD1-CB 3.67Å; F175-Q180 HydrophobicContact CG-CB 4.13Å; T177-Q180 PolarHBondContact O-N 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.11Å; T177-Q180 PolarHBondContact OG1-N 3.15Å; A178-Q180 VanDerWaalsContact C-N 3.3Å; A178-Q180 PolarHBondContact O-N 2.82Å; Q180-H184 WeakPolarHBondContact O-CB 3.45Å; Q180-H184 PolarHBondContact O-N 2.95Å
181V91.9Very high88.4Confident24 Ų2476.1 Ų76.115%0.14541%0.414CS..Hα-helixtrans-68.8-43.3172.8-175.40000110.5C168 F175 A178 E179 H184 V185C168-V181 HydrophobicContact CB-CG1 4.44Å; F175-V181 HydrophobicContact CB-CG2 3.86Å; F175-V181 HydrophobicContact CD2-CB 4.46Å; F175-V181 HydrophobicContact CD2-CG2 3.65Å; F175-V181 HydrophobicContact CE2-CG2 4.49Å; F175-V181 HydrophobicContact CG-CG2 3.94Å; A178-V181 WeakPolarHBondContact O-CB 3.38Å; A178-V181 PolarHBondContact O-N 2.74Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 3.16Å; V181-H184 PolarHBondContact O-N 3.02Å; V181-V185 HydrophobicContact CG1-CG2 4.13Å; V181-V185 VanDerWaalsContact O-CB 3.32Å; V181-V185 WeakPolarHBondContact O-CB 3.29Å; V181-V185 VanDerWaalsContact O-CG2 3.23Å; V181-V185 WeakPolarHBondContact O-CG2 3.25Å; V181-V185 PolarHBondContact O-N 3.34Å
182E88.5Confident86.8Confident133 Ų13376.8 Ų76.862%0.62141%0.413SS*.Hα-helixtrans-63.5-48.9179.8-174.3167.9-169.200111.5A178 E179 H184 V185 L186A178-E182 PolarHBondContact O-N 3.3Å; E179-E182 PolarHBondContact O-N 3.11Å; E182-H184 VanDerWaalsContact C-N 3.34Å; E182-H184 PolarHBondContact O-N 2.89Å; E182-V185 PolarHBondContact O-N 2.84Å; E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 WeakPolarHBondContact O-CG 3.34Å; E182-L186 PolarHBondContact O-N 3.19Å
183E88.1Confident85.3Confident121 Ų12178.3 Ų78.357%0.56541%0.408SS*.Hα-helixtrans-58.7-45.3174.3-166.6-167172.900111.1E179 V185 L186 L187E179-E183 PolarHBondContact O-N 3.23Å; E183-V185 PolarHBondContact O-N 2.66Å; E183-L186 PolarHBondContact O-N 3.4Å; E183-L187 HydrophobicContact CG-CD1 3.8Å; E183-L187 HydrophobicContact CG-CG 4.3Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.07Å; E183-L187 VanDerWaalsContact O-CG 3.27Å; E183-L187 WeakPolarHBondContact O-CG 3.12Å; E183-L187 PolarHBondContact O-N 2.97Å
184H93.2Very high83.7Confident31 Ų3178 Ų7814%0.14442%0.416CS..Hα-helixtrans-62.3-42176.2170.190.1000112.9C168 C171 F175 Q180 V181 E182 L186 L187 K188 H189C168-H184 PolarHBondContact SG-CD2 2.98Å; C168-H184 PolarHBondContact SG-NE2 3.36Å; C168-H184 VanDerWaalsContact SG-NE2 3.39Å; C171-H184 PolarHBondContact SG-NE2 2.97Å; F175-H184 HydrophobicContact CE1-CB 3.82Å; F175-H184 HydrophobicContact CE2-CB 4.22Å; F175-H184 AromaticContact CE2-CG 3.97Å; F175-H184 HydrophobicContact CZ-CB 3.48Å; F175-H184 VanDerWaalsContact CZ-CB 3.48Å; F175-H184 AromaticContact CZ-CD2 3.76Å; F175-H184 AromaticContact CZ-CE1 3.98Å; F175-H184 AromaticContact CZ-CG 3.27Å; F175-H184 AromaticContact CZ-ND1 3.46Å; F175-H184 WeakPolarHBondContact CZ-ND1 3.45Å; Q180-H184 WeakPolarHBondContact O-CB 3.45Å; Q180-H184 PolarHBondContact O-N 2.95Å; V181-H184 PolarHBondContact O-N 3.02Å; E182-H184 VanDerWaalsContact C-N 3.34Å; E182-H184 PolarHBondContact O-N 2.89Å; H184-L186 VanDerWaalsContact C-N 3.34Å; H184-L187 PolarHBondContact O-N 3.35Å; H184-K188 VanDerWaalsContact O-CB 3.3Å; H184-K188 WeakPolarHBondContact O-CB 3.41Å; H184-K188 PolarHBondContact O-N 3.44Å; H184-H189 AromaticContact CD2-CD2 3.96Å; H184-H189 AromaticContact NE2-CD2 3.66Å; H184-H189 AromaticContact NE2-NE2 3.27Å; H184-H189 PolarHBondContact NE2-NE2 3.11Å
185V91.9Very high81.3Confident27 Ų2779.1 Ų79.116%0.16443%0.426CS..Hα-helixtrans-64-41.1177.9163.50000110.5F170 V181 E182 E183 H189 T190 L193F170-V185 HydrophobicContact CD2-CG1 4.39Å; F170-V185 HydrophobicContact CD2-CG2 3.99Å; F170-V185 HydrophobicContact CE2-CG1 3.8Å; F170-V185 HydrophobicContact CE2-CG2 4.1Å; V181-V185 HydrophobicContact CG1-CG2 4.13Å; V181-V185 VanDerWaalsContact O-CB 3.32Å; V181-V185 WeakPolarHBondContact O-CB 3.29Å; V181-V185 VanDerWaalsContact O-CG2 3.23Å; V181-V185 WeakPolarHBondContact O-CG2 3.25Å; V181-V185 PolarHBondContact O-N 3.34Å; E182-V185 PolarHBondContact O-N 2.84Å; E183-V185 PolarHBondContact O-N 2.66Å; V185-H189 CarbonylContact O-C 3.47Å; V185-H189 VanDerWaalsContact O-C 3.31Å; V185-H189 VanDerWaalsContact O-CA 3.29Å; V185-H189 WeakPolarHBondContact O-CA 3.43Å; V185-H189 WeakPolarHBondContact O-CB 3.29Å; V185-H189 PolarHBondContact O-N 3.23Å; V185-T190 PolarHBondContact O-N 3.12Å; V185-L193 HydrophobicContact CG1-CD1 3.97Å
186L90.1Very high78.8Confident93 Ų9381.5 Ų81.549%0.48745%0.445SS..Hα-helixtrans-67.5-38.9173.8-67.4169000112.5E182 E183 H184 T190 L193E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 WeakPolarHBondContact O-CG 3.34Å; E182-L186 PolarHBondContact O-N 3.19Å; E183-L186 PolarHBondContact O-N 3.4Å; H184-L186 VanDerWaalsContact C-N 3.34Å; L186-T190 WeakPolarHBondContact O-CB 3.35Å; L186-T190 WeakPolarHBondContact O-CG2 3.33Å; L186-T190 PolarHBondContact O-OG1 3.42Å; L186-L193 HydrophobicContact CD2-CD1 4.27Å
187L88.8Confident76.3Confident115 Ų11586.7 Ų86.760%0.60246%0.464SS*.Hα-helixtrans-84.4-24.9-176.7-70.8178000115.2E183 H184E183-L187 HydrophobicContact CG-CD1 3.8Å; E183-L187 HydrophobicContact CG-CG 4.3Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.07Å; E183-L187 VanDerWaalsContact O-CG 3.27Å; E183-L187 WeakPolarHBondContact O-CG 3.12Å; E183-L187 PolarHBondContact O-N 2.97Å; H184-L187 PolarHBondContact O-N 3.35Å
188K87.7Confident73.8Confident140 Ų14094.8 Ų94.861%0.60949%0.49SS*.Hα-helixtrans-117.4-16.9-175-62.5-58.7-175-173.10114.4H184H184-K188 VanDerWaalsContact O-CB 3.3Å; H184-K188 WeakPolarHBondContact O-CB 3.41Å; H184-K188 PolarHBondContact O-N 3.44Å
189H89.4Confident71.1Confident21 Ų2198.4 Ų98.410%0.09751%0.512CS..SBendtrans-130.918.1-173.7-56.7-56000113.2C168 F170 H184 V185 D191 N192 L193C168-H189 VanDerWaalsContact SG-CD2 3.58Å; F170-H189 HydrophobicContact CB-CB 4.28Å; F170-H189 VanDerWaalsContact CB-CD2 3.41Å; F170-H189 WeakPolarHBondContact CB-CD2 3.31Å; F170-H189 VanDerWaalsContact CB-CG 3.45Å; F170-H189 WeakPolarHBondContact CB-NE2 3.3Å; F170-H189 HydrophobicContact CD1-CB 4Å; F170-H189 HydrophobicContact CD2-CB 3.93Å; F170-H189 AromaticContact CD2-CD2 3.88Å; F170-H189 AromaticContact CD2-CG 3.89Å; F170-H189 HydrophobicContact CE1-CB 4.31Å; F170-H189 HydrophobicContact CE2-CB 4.22Å; F170-H189 HydrophobicContact CG-CB 3.82Å; F170-H189 AromaticContact CG-CD2 3.79Å; F170-H189 AromaticContact CG-CG 3.55Å; F170-H189 AromaticContact CG-ND1 4Å; F170-H189 HydrophobicContact CZ-CB 4.41Å; H184-H189 AromaticContact CD2-CD2 3.96Å; H184-H189 AromaticContact NE2-CD2 3.66Å; H184-H189 AromaticContact NE2-NE2 3.27Å; H184-H189 PolarHBondContact NE2-NE2 3.11Å; V185-H189 CarbonylContact O-C 3.47Å; V185-H189 VanDerWaalsContact O-C 3.31Å; V185-H189 VanDerWaalsContact O-CA 3.29Å; V185-H189 WeakPolarHBondContact O-CA 3.43Å; V185-H189 WeakPolarHBondContact O-CB 3.29Å; V185-H189 PolarHBondContact O-N 3.23Å; H189-D191 PolarHBondContact O-N 3.33Å; H189-N192 HydrophobicContact CB-CB 4.37Å; H189-N192 PolarHBondContact ND1-ND2 3.29Å; H189-N192 CarbonylContact O-C 3.59Å; H189-N192 WeakPolarHBondContact O-CA 3.35Å; H189-N192 WeakPolarHBondContact O-CB 3.32Å; H189-N192 PolarHBondContact O-N 3.47Å; H189-L193 WeakPolarHBondContact O-CG 3.27Å; H189-L193 PolarHBondContact O-N 2.83Å
190T77.3Confident68.5Low56 Ų5694 Ų9434%0.34451%0.507SS..Hα-helixtrans-55.4-38.3169.96.60000112.6V185 L186 N192 L193 T194V185-T190 PolarHBondContact O-N 3.12Å; L186-T190 WeakPolarHBondContact O-CB 3.35Å; L186-T190 WeakPolarHBondContact O-CG2 3.33Å; L186-T190 PolarHBondContact O-OG1 3.42Å; T190-N192 PolarHBondContact O-N 2.81Å; T190-L193 PolarHBondContact O-N 2.86Å; T190-T194 PolarHBondContact O-N 3.15Å; T190-T194 PolarHBondContact O-OG1 2.78Å
191D67.7Low65.8Low124 Ų12496.3 Ų96.366%0.66353%0.528SS*.Hα-helixtrans-64.3-29.6174.9-59.3-26.8000112.2H189 T195H189-D191 PolarHBondContact O-N 3.33Å; D191-T195 WeakPolarHBondContact O-CB 3.18Å; D191-T195 VanDerWaalsContact O-CG2 3.24Å; D191-T195 WeakPolarHBondContact O-CG2 3.31Å; D191-T195 PolarHBondContact O-OG1 2.81Å
192N57.8Low62.9Low79 Ų79101.3 Ų101.342%0.42256%0.559SS.*Hα-helixtrans-85-26.9176.4-60.9-32.3000112.5F170 H189 T190 T194F170-N192 HydrophobicContact CD1-CB 3.91Å; F170-N192 HydrophobicContact CE1-CB 3.6Å; H189-N192 HydrophobicContact CB-CB 4.37Å; H189-N192 PolarHBondContact ND1-ND2 3.29Å; H189-N192 CarbonylContact O-C 3.59Å; H189-N192 WeakPolarHBondContact O-CA 3.35Å; H189-N192 WeakPolarHBondContact O-CB 3.32Å; H189-N192 PolarHBondContact O-N 3.47Å; T190-N192 PolarHBondContact O-N 2.81Å; N192-T194 VanDerWaalsContact C-N 3.33Å
193L57.9Low60.4Low85 Ų85100.5 Ų100.545%0.44557%0.565SS.*Hα-helixtrans-72.3-26.8175.7-74.3162.7000112.4V185 L186 H189 T190V185-L193 HydrophobicContact CG1-CD1 3.97Å; L186-L193 HydrophobicContact CD2-CD1 4.27Å; H189-L193 WeakPolarHBondContact O-CG 3.27Å; H189-L193 PolarHBondContact O-N 2.83Å; T190-L193 PolarHBondContact O-N 2.86Å
194T54.3Low57.6Low111 Ų111100.9 Ų100.968%0.68158%0.576SS**SBendtrans-97.5-10.6-177.844.60000114.8T190 N192T190-T194 PolarHBondContact O-N 3.15Å; T190-T194 PolarHBondContact O-OG1 2.78Å; N192-T194 VanDerWaalsContact C-N 3.33Å
195T43.4Very low54.8Low98 Ų98106.5 Ų106.560%0.60161%0.607SS**  trans-101.98.2-173.345.90000115.5D191 N197D191-T195 WeakPolarHBondContact O-CB 3.18Å; D191-T195 VanDerWaalsContact O-CG2 3.24Å; D191-T195 WeakPolarHBondContact O-CG2 3.31Å; D191-T195 PolarHBondContact O-OG1 2.81Å; T195-N197 PolarHBondContact O-N 3.27Å
196S39.9Very low51.9Low70 Ų70111.3 Ų111.349%0.4964%0.636SS.*THydrogen-bonded Turntrans-73.1115.617070.80000111.4
197N38.4Very low49.2Very low146 Ų146111.7 Ų111.778%0.78165%0.647SS**THydrogen-bonded Turntrans90.329.8168.5-45.1-48000119.8T195T195-N197 PolarHBondContact O-N 3.27Å
198Y35.8Very low46.5Very low225 Ų225112.9 Ų112.988%0.88265%0.654SS**  trans-132.353163.7-104.3-82.9000114.6G200Y198-G200 PolarHBondContact O-N 3.39Å; Y198-G200 VanDerWaalsContact O-N 3.14Å
199S32.5Very low43.7Very low128 Ų128111.8 Ų111.890%0.89566%0.664SS**  trans-84.760.5161.5-61.60000110.7
200G32.7Very low41.2Very low59 Ų59115.6 Ų115.661%0.60869%0.693SS**PPolyproline II helixtrans-91.2124.1175.500000111.2Y198 T202Y198-G200 PolarHBondContact O-N 3.39Å; Y198-G200 VanDerWaalsContact O-N 3.14Å; G200-T202 PolarHBondContact O-N 3.11Å
201T33.7Very low39Very low137 Ų137118.8 Ų118.884%0.8472%0.717SS**PPolyproline II helixtrans-52.6129.5-177.650.60000113.9P203T201-P203 WeakPolarHBondContact O-CD 3.44Å
202T32.6Very low37.5Very low129 Ų129119.9 Ų119.979%0.79172%0.722SS**PPolyproline II helixtrans-65.9122.4165.431.40000110.9G200 T204G200-T202 PolarHBondContact O-N 3.11Å; T202-T204 PolarHBondContact O-N 2.77Å
203P34.6Very low36.2Very low115 Ų115120 Ų12075%0.74773%0.734SS**  trans-79.6110.4168.630.6-30.2000109.6T201 N205T201-P203 WeakPolarHBondContact O-CD 3.44Å; P203-N205 PolarHBondContact O-N 3.36Å
204T29.5Very low34.9Very low130 Ų130124 Ų12480%0.79876%0.755SS**  trans-62.7106.7172.7-44.50000110.2T202T202-T204 PolarHBondContact O-N 2.77Å
205N34Very low33.9Very low149 Ų149123.9 Ų123.980%0.79775%0.754SS**  trans-125.3111.1159.2-85.8-35.4000108.5P203 S207P203-N205 PolarHBondContact O-N 3.36Å; N205-S207 PolarHBondContact O-N 2.91Å
206T31.7Very low33.5Very low127 Ų127125.2 Ų125.278%0.77976%0.762SS**  trans-54.1119.7163.842.30000110.4
207S33.7Very low33.2Very low101 Ų101127.9 Ų127.971%0.70677%0.77SS**  171.7140.3129.1-84.30000110.3N205N205-S207 PolarHBondContact O-N 2.91Å
208D32Very low33Very low140 Ų140127.4 Ų127.475%0.74977%0.766SS**  trans61.894.6155.5-53.1-33.3000120.2
209S29.8Very low32.8Very low117 Ų117121.9 Ų121.982%0.81876%0.756SS**  53.175.7116.7-54.70000119.2
210S36.2Very low32.8Very low101 Ų101121.7 Ų121.771%0.70675%0.749SS**  trans-165135.4131.245.60000112.8I212S210-I212 PolarHBondContact O-N 3.38Å
211S31.2Very low32.8Very low124 Ų124123.9 Ų123.987%0.86776%0.755SS**  trans-7894.9175.653.50000110.7A213S211-A213 PolarHBondContact O-N 3.25Å
212I35Very low32.8Very low146 Ų146124.8 Ų124.875%0.74976%0.755SS**  trans-84.8101.4172.5-59.2179000108.8S210 L214S210-I212 PolarHBondContact O-N 3.38Å; I212-L214 PolarHBondContact O-N 3.21Å
213A31Very low32.8Very low82 Ų82123.7 Ų123.768%0.67875%0.753SS**  trans-75.6107.5171.300000109.9S211 T215S211-A213 PolarHBondContact O-N 3.25Å; A213-T215 PolarHBondContact O-N 3.09Å; A213-T215 PolarHBondContact O-OG1 2.93Å
214L31.6Very low32.8Very low170 Ų170125.8 Ų125.889%0.8976%0.757SS**  trans-62.3103.3170.5-80.8161.7000109.5I212I212-L214 PolarHBondContact O-N 3.21Å
215T32.4Very low32.9Very low108 Ų108125.4 Ų125.466%0.66376%0.758SS**  trans-103.297.9177.1-53.50000108.2A213 I217A213-T215 PolarHBondContact O-N 3.09Å; A213-T215 PolarHBondContact O-OG1 2.93Å; T215-I217 HydrophobicContact CG2-CG1 4.01Å; T215-I217 PolarHBondContact O-N 3.42Å
216T35.7Very low32.8Very low126 Ų126123.1 Ų123.177%0.77375%0.754SS**  trans-7197.9174.1-54.70000109.3I218T216-I218 HydrophobicContact CG2-CG1 4.24Å; T216-I218 PolarHBondContact O-N 2.89Å
217I33.8Very low32.5Very low126 Ų126123.3 Ų123.365%0.64676%0.761SS**  trans-87.5103.1172.7-53.7179.5000108T215 T219T215-I217 HydrophobicContact CG2-CG1 4.01Å; T215-I217 PolarHBondContact O-N 3.42Å; I217-T219 WeakPolarHBondContact CG2-OG1 3.41Å; I217-T219 PolarHBondContact O-N 3.4Å; I217-T219 VanDerWaalsContact O-N 3.15Å
218I34Very low32.3Very low136 Ų136123.4 Ų123.470%0.69776%0.761SS**  trans-78.791.9167-56.4178000107.4T216 T220T216-I218 HydrophobicContact CG2-CG1 4.24Å; T216-I218 PolarHBondContact O-N 2.89Å; I218-T220 HydrophobicContact CG2-CG2 4.45Å; I218-T220 PolarHBondContact O-N 3.19Å
219T30.7Very low32.3Very low109 Ų109123 Ų12367%0.66976%0.764SS**  trans-83.493.4175.6-49.80000110.1I217 S221I217-T219 WeakPolarHBondContact CG2-OG1 3.41Å; I217-T219 PolarHBondContact O-N 3.4Å; I217-T219 VanDerWaalsContact O-N 3.15Å; T219-S221 PolarHBondContact O-N 2.77Å; T219-S221 VanDerWaalsContact O-N 3.15Å
220T33.3Very low32.4Very low124 Ų124123 Ų12376%0.76176%0.759SS**  trans-77.989.6165.7380000110I218 N222I218-T220 HydrophobicContact CG2-CG2 4.45Å; I218-T220 PolarHBondContact O-N 3.19Å; T220-N222 PolarHBondContact O-N 3.27Å
221S32Very low32.2Very low105 Ų105124.4 Ų124.473%0.73476%0.764SS**  trans-77.181.3178.156.20000112.1T219 S223T219-S221 PolarHBondContact O-N 2.77Å; T219-S221 VanDerWaalsContact O-N 3.15Å; S221-S223 PolarHBondContact O-N 3.47Å
222N33.4Very low32.3Very low155 Ų155125.2 Ų125.283%0.82976%0.757SS**  trans-74.2114.8157.9-89.51.1000108.8T220 N224T220-N222 PolarHBondContact O-N 3.27Å; N222-N224 PolarHBondContact O-N 3.37Å
223S33.6Very low32.3Very low107 Ų107122.6 Ų122.675%0.74876%0.757SS**SBendtrans-75.488.817856.20000111S221S221-S223 PolarHBondContact O-N 3.47Å
224N34.6Very low32.7Very low159 Ų159128 Ų12885%0.8577%0.765SS**SBendtrans177.3149.5134.5-87.5-23.3000111N222N222-N224 PolarHBondContact O-N 3.37Å
225C30.7Very low32.9Very low121 Ų121127.5 Ų127.582%0.81876%0.763SS**SBendtrans77.4102.8177.1-145.10000117.1
226S31.9Very low33Very low102 Ų102127.1 Ų127.171%0.71377%0.765SS**  trans50.699.7141.8-55.80000119.4S228S226-S228 PolarHBondContact O-N 3.02Å
227S26.2Very low33Very low130 Ų130129.9 Ų129.991%0.90977%0.767SS**  trans-45.2118168.4-59.10000113.9
228S29.2Very low33Very low103 Ų103135.3 Ų135.372%0.7278%0.781SS**  trans-137.289158.837.40000109S226 V230S226-S228 PolarHBondContact O-N 3.02Å; S228-V230 PolarHBondContact O-N 3.36Å
229T31.2Very low33Very low131 Ų131134 Ų13480%0.80478%0.784SS**  trans-71.8106.5175.944.50000110.1
230V31.8Very low33.3Very low118 Ų118135.5 Ų135.572%0.71579%0.792SS**  trans-9692.9173.4-176.10000109.6S228 I232S228-V230 PolarHBondContact O-N 3.36Å; V230-I232 HydrophobicContact CG1-CD1 4.45Å; V230-I232 HydrophobicContact CG1-CG1 3.99Å; V230-I232 PolarHBondContact O-N 3.11Å
231T32.4Very low33.3Very low131 Ų131136.3 Ų136.380%0.80479%0.792SS**  trans-78.3109171.445.20000110.8
232I33.6Very low33.4Very low140 Ų140136.9 Ų136.972%0.71879%0.793SS**  trans-96.989.7173-53.7-178.6000109.6V230 K234V230-I232 HydrophobicContact CG1-CD1 4.45Å; V230-I232 HydrophobicContact CG1-CG1 3.99Å; V230-I232 PolarHBondContact O-N 3.11Å; I232-K234 HydrophobicContact CG2-CG 4.48Å; I232-K234 PolarHBondContact O-N 3.48Å
233A34.7Very low33.2Very low92 Ų92134 Ų13476%0.7679%0.791SS**  trans-83.8109.6171.100000110.7N235A233-N235 PolarHBondContact O-N 3.18Å
234K40Very low33.4Very low194 Ų194133.4 Ų133.484%0.84379%0.787SS**  trans-92.683.6171.6-80.4-177.1176.5173.30111.1I232I232-K234 HydrophobicContact CG2-CG 4.48Å; I232-K234 PolarHBondContact O-N 3.48Å
235N34.8Very low33.6Very low160 Ų160134.7 Ų134.786%0.85679%0.785SS**  trans-98.4116.5166.1-78.26.7000110.8A233A233-N235 PolarHBondContact O-N 3.18Å
236S35.6Very low33.8Very low101 Ų101138.5 Ų138.571%0.70679%0.788SS**  trans-80.6126.5177154.10000111.2
237K36Very low34.1Very low184 Ų184140 Ų14080%0.879%0.788SS**  trans57.8107.9154.2-60.9172.1-177.4177.60117.6
238Y34.1Very low34.3Very low240 Ų240137 Ų13794%0.94178%0.778SS**  -152.8140.8119.4-112.4-79.7000109.2
239S32.6Very low34.7Very low109 Ų109138.1 Ų138.176%0.76278%0.782SS**  trans-103.3128.2-177.666.10000111.7
240V38.6Very low34.7Very low140 Ų140142.8 Ų142.885%0.84879%0.785SS**  trans-149.6122.1147.4-179.90000107.9
241D31.3Very low35Very low140 Ų140142.5 Ų142.575%0.74979%0.788SS**  trans-86142.7165.9-147.4-28.5000107.8A243D241-A243 PolarHBondContact OD1-N 2.87Å
242P35.5Very low35.3Very low117 Ų117145.3 Ų145.376%0.7679%0.792SS**  -149.9130.9103.334.8-16.8000115.8
243A29.8Very low35.4Very low96 Ų96141.8 Ų141.879%0.79379%0.791SS**  trans-63.8129.5164.500000113.5D241D241-A243 PolarHBondContact OD1-N 2.87Å
244S37.6Very low35.7Very low93 Ų93146.2 Ų146.265%0.6579%0.793SS**  trans-157103.21621710000114
245K38.4Very low35.7Very low186 Ų186144.1 Ų144.181%0.80979%0.786SS**  trans62.6113.6144.9-54.9170.4-173.7172.80118.9
246F35Very low35.9Very low201 Ų201142 Ų14288%0.88278%0.784SS**  -142.2136.6126.7-130.1-92.6000112.2
247N38.2Very low35.8Very low135 Ų135148.6 Ų148.672%0.72279%0.793SS**  trans-54.4149-162.9-56.6-54.9000118.5
248G30.1Very low35.9Very low67 Ų67149.2 Ų149.269%0.69180%0.796SS**  trans-81-166.9162.900000113.4
249P37.8Very low35.9Very low126 Ų126142.8 Ų142.882%0.81879%0.786SS**  -156.5151.676.240.9-20.8000119.9
250R31.3Very low36.3Very low228 Ų228146.1 Ų146.186%0.8680%0.795SS**  67.7107.2127.5-168.8-171.6-161.4-179.75123.2
251S38.1Very low36.3Very low112 Ų112146.4 Ų146.478%0.78379%0.791SS**  trans-16997.213753.20000110.7
252Q37.6Very low36.9Very low190 Ų190148.2 Ų148.289%0.88879%0.793SS**  74.1129.897.8-78.8-154.2-11.800118.2
253G36.1Very low37.6Very low67 Ų67150.3 Ų150.369%0.69180%0.797SS**  trans124.695.1177.900000111.4
254K42.2Very low38.1Very low185 Ų185152.3 Ų152.380%0.80480%0.795SS**  54.8128.485.7-64.5-174.5170.1-155.60112.7
255E39.6Very low38.2Very low149 Ų149156.4 Ų156.470%0.69680%0.803SS**  cis-163.9165.612.7-123.5157.2-142.400112.3
256S38.5Very low38.2Very low115 Ų115154.2 Ų154.280%0.80481%0.806SS**  trans61.6116.1150.9-62.40000123
257R33.2Very low38.5Very low241 Ų241152.5 Ų152.591%0.90981%0.805SS**  trans-82.2145.2164.1-59.3167.5172.5163.8-5.2111.7
258K38.6Very low38.5Very low196 Ų196156.1 Ų156.185%0.85281%0.814SS**  trans162.5103.3137.9-93.7167.3-178.3-177.90109.7
259S33.7Very low38.9Very low105 Ų105160.9 Ų160.973%0.73482%0.818SS**  69.3100.595.372.50000115.1
260L40.8Very low39Very low180 Ų180164.8 Ų164.894%0.94282%0.823SS**  trans-143.9146150-114160000108.3
261N38Very low39.3Very low146 Ų146158.7 Ų158.778%0.78182%0.821SS**  trans-139.2159.3-158.8-1565.5000108.3
262K44.7Very low39.3Very low178 Ų178163.1 Ų163.177%0.77483%0.826SS**  trans82.1134-165-53.2166.8-179.3-178.90110.4
263D49.4Very low39.3Very low160 Ų160164.3 Ų164.386%0.85683%0.828SS**  cis-113.3138.243.3-56.2-50.6000117.6
264N40.8Very low39.2Very low139 Ų139167.2 Ų167.274%0.74384%0.838SS**  trans-82.1174.7148.8-62.7-49.6000106.9
265E39.2Very low38.9Very low178 Ų178163 Ų16383%0.83283%0.832SS**  cis-17579.234.2-164.5167.9-162.300112.2
266V39.3Very low38.5Very low141 Ų141161.8 Ų161.886%0.85584%0.835SS**SBendtrans-144.7151.7166.2-161.10000109.7
267L40.9Very low38.5Very low164 Ų164161.8 Ų161.886%0.85983%0.83SS**  trans74.265.4179.5-54.3173.3000115.2
268K38.3Very low38.9Very low212 Ų212157.8 Ų157.892%0.92282%0.822SS**  trans-128.139.7165.9-146.9177.3-170.2175.10113.8
269E38.2Very low39.1Very low167 Ų167155.6 Ų155.678%0.7882%0.816SS**SBendtrans-136.1166.1163.9-88.4-177.7129.200109.2
270F39.4Very low39.2Very low208 Ų208157.8 Ų157.891%0.91282%0.815SS**SBendtrans75.926.3-178.5-53.4-76.4000119.1
271A38.5Very low39.1Very low100 Ų100157 Ų15783%0.82681%0.812SS**  trans-137.437.2167.600000114.3
272K38.5Very low39.4Very low205 Ų205156.8 Ų156.889%0.89181%0.806SS**  trans-139.784.8174.7-97.1-172.5174.3-177.80112.3
273K37.4Very low39.1Very low214 Ų214156.1 Ų156.193%0.9381%0.805SS**  trans-165.670153.1-109.4171.9-175.6-177.40109.4
274S33.2Very low38.7Very low128 Ų128154.3 Ų154.390%0.89580%0.8SS**  trans-119.598.9162.2-171.80000107
275S36.7Very low38.7Very low98 Ų98153.7 Ų153.769%0.68580%0.795SS**  trans-167.6119.8169.6-173.40000108.7
276T31.8Very low38.7Very low123 Ų123155.7 Ų155.776%0.75580%0.795SS**  trans51.9115.7146.656.60000119.1
277V38.7Very low38.8Very low115 Ų115153.4 Ų153.470%0.69779%0.786SS**  174.4117.8119.1148.70000108.9
278E39.9Very low38.7Very low157 Ų157153 Ų15373%0.73478%0.784SS**  trans58.4155.3149.8-62.9165.3-149.500119.1
279M43.8Very low38.9Very low149 Ų149149.8 Ų149.873%0.73478%0.777SS**  cis-147178.7-15.7-122.4-176.6-55.700107.6D281M279-D281 PolarHBondContact O-N 3.42Å
280E35.9Very low39Very low152 Ų152149.4 Ų149.471%0.7178%0.781SS**  trans-41.7125.5178.6-63.3163.487.400114.7Q282E280-Q282 HydrophobicContact CB-CG 4.45Å; E280-Q282 PolarHBondContact OE1-NE2 3.04Å; E280-Q282 VanDerWaalsContact OE1-NE2 3.13Å
281D38.9Very low39Very low163 Ų163149 Ų14987%0.87278%0.779SS**  trans-123.2117.9148.9-155.5-1.3000107.7M279M279-D281 PolarHBondContact O-N 3.42Å
282Q43.8Very low39.3Very low142 Ų142149.6 Ų149.666%0.66477%0.774SS**  trans-82.7127.2-156.2-75.9165.1-4.800110.8E280 V284E280-Q282 HydrophobicContact CB-CG 4.45Å; E280-Q282 PolarHBondContact OE1-NE2 3.04Å; E280-Q282 VanDerWaalsContact OE1-NE2 3.13Å; Q282-V284 PolarHBondContact O-N 2.93Å
283Q38.8Very low39.4Very low163 Ų163144 Ų14476%0.76277%0.766SS**  trans-55.1113.9169.6-65.117817.400108.6I285Q283-I285 HydrophobicContact CB-CD1 4.46Å; Q283-I285 HydrophobicContact CB-CG1 3.94Å; Q283-I285 PolarHBondContact O-N 3.1Å
284V40.5Very low39.4Very low122 Ų122141.4 Ų141.474%0.73976%0.762SS**  trans-73.675165.6-178.50000107.6Q282 R286Q282-V284 PolarHBondContact O-N 2.93Å; V284-R286 HydrophobicContact CG1-CG 3.98Å; V284-R286 PolarHBondContact O-N 3.07Å
285I40.5Very low39.9Very low126 Ų126140.2 Ų140.265%0.64675%0.749SS**  trans-67.187.9160.8-56175.3000105.1Q283 S287Q283-I285 HydrophobicContact CB-CD1 4.46Å; Q283-I285 HydrophobicContact CB-CG1 3.94Å; Q283-I285 PolarHBondContact O-N 3.1Å; I285-S287 PolarHBondContact O-N 3.08Å
286R40.1Very low40.2Very low221 Ų221141 Ų14183%0.83475%0.749SS**  trans-69.9101.3165.7-97.3176.4179.9155.52.3106.9V284 D288V284-R286 HydrophobicContact CG1-CG 3.98Å; V284-R286 PolarHBondContact O-N 3.07Å; R286-D288 PolarHBondContact O-N 2.74Å
287S40.3Very low40.9Very low93 Ų93141.1 Ų141.165%0.6575%0.746SS**  trans-49.3123.8176.8-56.10000111.1I285 N289I285-S287 PolarHBondContact O-N 3.08Å; S287-N289 VanDerWaalsContact C-N 3.33Å; S287-N289 PolarHBondContact O-N 3.42Å
288D39.3Very low41.5Very low155 Ų155140.9 Ų140.983%0.82974%0.741SS**THydrogen-bonded Turntrans-62.390.5168.5-60.3-67.1000109.6R286R286-D288 PolarHBondContact O-N 2.74Å
289N41.9Very low42.3Very low144 Ų144138.8 Ų138.877%0.7774%0.741SS**THydrogen-bonded Turntrans-168.7-15.8166.3-94.8-46.7000114.9S287 F291S287-N289 VanDerWaalsContact C-N 3.33Å; S287-N289 PolarHBondContact O-N 3.42Å; N289-F291 PolarHBondContact O-N 3.13Å; N289-F291 VanDerWaalsContact O-N 3.15Å
290D41.2Very low43.2Very low160 Ų160133.7 Ų133.786%0.85672%0.715SS**  trans-79.996175.2-80.1-34.8000111.3P292D290-P292 VanDerWaalsContact O-CD 3.23Å; D290-P292 WeakPolarHBondContact O-CD 3.46Å
291F40.2Very low44.9Very low199 Ų199130 Ų13087%0.87370%0.7SS**  trans-55.8114.4171.5-87.3-101.9000111N289 A293N289-F291 PolarHBondContact O-N 3.13Å; N289-F291 VanDerWaalsContact O-N 3.15Å; F291-A293 PolarHBondContact O-N 3.39Å
292P44.7Very low46.9Very low113 Ų113123.1 Ų123.173%0.73466%0.664SS**  trans-69.9127.6165.730-31.2000108.2D290 L294D290-P292 VanDerWaalsContact O-CD 3.23Å; D290-P292 WeakPolarHBondContact O-CD 3.46Å; P292-L294 PolarHBondContact O-N 3.39Å
293A40.7Very low49.1Very low88 Ų88121.1 Ų121.173%0.72766%0.657SS**  trans-53.8132.2176.300000110F291 V295F291-A293 PolarHBondContact O-N 3.39Å; A293-V295 PolarHBondContact O-N 2.82Å
294L37.4Very low51.7Low158 Ų158113.8 Ų113.883%0.82762%0.624SS**  trans-72.471.2-170.9-159.597.7000111.7P292 T296P292-L294 PolarHBondContact O-N 3.39Å; L294-T296 HydrophobicContact CD2-CG2 3.86Å; L294-T296 HydrophobicContact CG-CG2 4.2Å; L294-T296 PolarHBondContact O-N 2.84Å; L294-T296 VanDerWaalsContact O-N 3.08Å
295V43.5Very low54Low103 Ų103113.1 Ų113.162%0.62462%0.622SS**  trans-7891.4174-179.20000107.8A293 N297A293-V295 PolarHBondContact O-N 2.82Å; V295-N297 HydrophobicContact CG1-CB 3.88Å; V295-N297 VanDerWaalsContact CG1-ND2 3.25Å; V295-N297 WeakPolarHBondContact CG1-ND2 3.17Å; V295-N297 PolarHBondContact O-N 3.45Å
296T41.5Very low56.3Low114 Ų114112.4 Ų112.470%0.69962%0.619SS**  trans-72.848.2173.2530000112.2L294 N298L294-T296 HydrophobicContact CD2-CG2 3.86Å; L294-T296 HydrophobicContact CG-CG2 4.2Å; L294-T296 PolarHBondContact O-N 2.84Å; L294-T296 VanDerWaalsContact O-N 3.08Å; T296-N298 PolarHBondContact O-N 3.45Å
297N46.9Very low58.8Low127 Ų127103.8 Ų103.868%0.67959%0.593SS**  trans-93.779.8164.8-69.8-26.7000107.4V295 P299V295-N297 HydrophobicContact CG1-CB 3.88Å; V295-N297 VanDerWaalsContact CG1-ND2 3.25Å; V295-N297 WeakPolarHBondContact CG1-ND2 3.17Å; V295-N297 PolarHBondContact O-N 3.45Å; N297-P299 VanDerWaalsContact O-CD 3.29Å; N297-P299 WeakPolarHBondContact O-CD 3.23Å; N297-P299 VanDerWaalsContact O-N 3.1Å
298N51.3Low61.2Low110 Ų110106 Ų10659%0.58860%0.597SS**  trans-62.6112167.9-155.1-7.6000106T296 M300 I301T296-N298 PolarHBondContact O-N 3.45Å; N298-M300 PolarHBondContact O-N 3.35Å; N298-I301 PolarHBondContact O-N 3.46Å; N298-I301 VanDerWaalsContact O-N 3.15Å
299P57Low63.6Low113 Ų113103.6 Ų103.673%0.73458%0.576SS**THydrogen-bonded Turntrans-66.4-1.2-160.926.1-35.8000114.4N297N297-P299 VanDerWaalsContact O-CD 3.29Å; N297-P299 WeakPolarHBondContact O-CD 3.23Å; N297-P299 VanDerWaalsContact O-N 3.1Å
300M61.9Low66Low41 Ų41101.3 Ų101.320%0.20257%0.567CS.*THydrogen-bonded Turntrans-102-19.6-175.1-57.7-153.868.100114.4G169 F170 N298 V312 G313G169-M300 WeakPolarHBondContact O-CE 3.35Å; F170-M300 HydrophobicContact CB-CE 4.07Å; F170-M300 HydrophobicContact CB-SD 4.35Å; F170-M300 HydrophobicContact CD1-CE 3.39Å; F170-M300 HydrophobicContact CD1-SD 3.31Å; F170-M300 WeakPolarHBondContact CD1-SD 3.43Å; F170-M300 HydrophobicContact CD2-CE 4.24Å; F170-M300 HydrophobicContact CE1-CE 3.81Å; F170-M300 HydrophobicContact CE1-SD 3.83Å; F170-M300 HydrophobicContact CG-CE 3.62Å; F170-M300 HydrophobicContact CG-SD 4.04Å; F170-M300 HydrophobicContact CZ-CE 4.4Å; N298-M300 PolarHBondContact O-N 3.35Å; M300-V312 CarbonylContact O-C 3.59Å; M300-V312 WeakPolarHBondContact O-CA 3.13Å; M300-G313 PolarHBondContact O-N 3.46Å
301I73Confident68.4Low76 Ų7695.3 Ų95.339%0.3953%0.534SS..EExtended strand (participates in β ladder)trans-117.7118.5177.6-55.6179.1000108.1N298 F311N298-I301 PolarHBondContact O-N 3.46Å; N298-I301 VanDerWaalsContact O-N 3.15Å; I301-F311 CarbonylContact C-O 3.6Å; I301-F311 WeakPolarHBondContact CA-O 3.29Å
302T81.1Confident70.7Confident18 Ų1891 Ų9111%0.1152%0.524CS..EExtended strand (participates in β ladder)trans-123.2117.8-179.357.30000109.5F311 L317T302-F311 PolarHBondContact N-O 3.46Å; T302-F311 VanDerWaalsContact O-CB 3.28Å; T302-F311 WeakPolarHBondContact O-CB 3.1Å; T302-F311 PolarHBondContact O-N 2.91Å; T302-L317 WeakPolarHBondContact OG1-CB 3.43Å
303D89.2Confident72.8Confident99 Ų9986.8 Ų86.853%0.52950%0.5SS..EExtended strand (participates in β ladder)trans-82.7154.8-178.5-56.4-25.4000111.2T310D303-T310 WeakPolarHBondContact OD1-CA 3.43Å; D303-T310 WeakPolarHBondContact OD1-CB 3.32Å; D303-T310 WeakPolarHBondContact OD1-CG2 3.12Å
304C93.7Very high75Confident10 Ų1090.2 Ų90.27%0.06849%0.494CS..  trans-76.1126.6172.3-174.50000110.4L306 C307 R309 F311 L317 H320 H325C304-L306 PolarHBondContact O-N 3.04Å; C304-L306 VanDerWaalsContact O-N 3.11Å; C304-L306 PolarHBondContact SG-N 3.02Å; C304-L306 VanDerWaalsContact SG-N 3.36Å; C304-C307 WeakPolarHBondContact CB-O 3.44Å; C304-R309 PolarHBondContact N-O 3.49Å; C304-F311 HydrophobicContact CB-CE2 4.09Å; C304-L317 HydrophobicContact CB-CD1 3.96Å; C304-H320 WeakPolarHBondContact CB-NE2 3.46Å; C304-H320 PolarHBondContact SG-NE2 3.21Å; C304-H325 VanDerWaalsContact SG-CD2 3.57Å; C304-H325 PolarHBondContact SG-NE2 3.48Å
305P88.2Confident77.5Confident108 Ų10892.9 Ų92.970%0.70149%0.494SS*.THydrogen-bonded Turntrans-68.9-6.2174.928-34.7000113.7
306L90.2Very high79.8Confident111 Ų11189.9 Ų89.958%0.58148%0.477SS*.THydrogen-bonded Turntrans-118-6.5-174-59.2173.9000113.8C304 L321 H325C304-L306 PolarHBondContact O-N 3.04Å; C304-L306 VanDerWaalsContact O-N 3.11Å; C304-L306 PolarHBondContact SG-N 3.02Å; C304-L306 VanDerWaalsContact SG-N 3.36Å; L306-L321 HydrophobicContact CD1-CD2 4.12Å; L306-H325 VanDerWaalsContact CB-CE1 3.43Å; L306-H325 WeakPolarHBondContact CB-CE1 3.28Å; L306-H325 WeakPolarHBondContact CB-ND1 3.31Å; L306-H325 HydrophobicContact CD1-CB 3.53Å
307C92.1Very high82.2Confident40 Ų4085.2 Ų85.227%0.2745%0.448SS..SBendtrans-161.9164169.569.90000112C304 R309 H320 H325C304-C307 WeakPolarHBondContact CB-O 3.44Å; C307-R309 PolarHBondContact O-N 3.45Å; C307-H320 VanDerWaalsContact SG-CE1 3.51Å; C307-H320 PolarHBondContact SG-NE2 3.37Å; C307-H325 PolarHBondContact SG-NE2 3.39Å
308D89.5Confident84.2Confident140 Ų14083.3 Ų83.375%0.74944%0.438SS*.SBendtrans-70.430.6-176-59.1-21.9000114.8
309R91.1Very high86.1Confident104 Ų10481.6 Ų81.639%0.39243%0.428SS..  trans-98.9128178.9-68.1-175.5-179.2-158.4-1.4111.4C304 C307 F311C304-R309 PolarHBondContact N-O 3.49Å; C307-R309 PolarHBondContact O-N 3.45Å; R309-F311 HydrophobicContact CB-CE2 3.47Å; R309-F311 VanDerWaalsContact CB-CE2 3.47Å; R309-F311 HydrophobicContact CB-CZ 3.64Å; R309-F311 WeakPolarHBondContact O-CD2 3.34Å; R309-F311 VanDerWaalsContact O-CE2 3.29Å; R309-F311 WeakPolarHBondContact O-CE2 3.49Å
310T91.5Very high87.9Confident95 Ų9576.6 Ų76.658%0.58340%0.395SS*.EExtended strand (participates in β ladder)trans-99146.5176.473.10000110.4D303D303-T310 WeakPolarHBondContact OD1-CA 3.43Å; D303-T310 WeakPolarHBondContact OD1-CB 3.32Å; D303-T310 WeakPolarHBondContact OD1-CG2 3.12Å
311F92.4Very high89.4Confident34 Ų3476.9 Ų76.915%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-133.6132-173.1-68.2-83000112.7I301 T302 C304 R309 G313 S316 L317 H320I301-F311 CarbonylContact C-O 3.6Å; I301-F311 WeakPolarHBondContact CA-O 3.29Å; T302-F311 PolarHBondContact N-O 3.46Å; T302-F311 VanDerWaalsContact O-CB 3.28Å; T302-F311 WeakPolarHBondContact O-CB 3.1Å; T302-F311 PolarHBondContact O-N 2.91Å; C304-F311 HydrophobicContact CB-CE2 4.09Å; R309-F311 HydrophobicContact CB-CE2 3.47Å; R309-F311 VanDerWaalsContact CB-CE2 3.47Å; R309-F311 HydrophobicContact CB-CZ 3.64Å; R309-F311 WeakPolarHBondContact O-CD2 3.34Å; R309-F311 VanDerWaalsContact O-CE2 3.29Å; R309-F311 WeakPolarHBondContact O-CE2 3.49Å; F311-G313 PolarHBondContact O-N 3.22Å; F311-G313 VanDerWaalsContact O-N 3.08Å; F311-S316 WeakPolarHBondContact CB-OG 3.38Å; F311-L317 HydrophobicContact CB-CB 3.96Å; F311-L317 HydrophobicContact CD2-CB 4.14Å; F311-L317 HydrophobicContact CD2-CD1 3.88Å; F311-L317 HydrophobicContact CE2-CD1 4.29Å; F311-L317 HydrophobicContact CG-CB 4.08Å; F311-H320 HydrophobicContact CD1-CB 4.3Å; F311-H320 HydrophobicContact CE1-CB 3.5Å; F311-H320 AromaticContact CE1-CG 3.86Å; F311-H320 HydrophobicContact CE2-CB 3.96Å; F311-H320 AromaticContact CE2-CD2 3.1Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.28Å; F311-H320 AromaticContact CE2-CG 3.6Å; F311-H320 AromaticContact CE2-NE2 3.78Å; F311-H320 HydrophobicContact CZ-CB 3.32Å; F311-H320 AromaticContact CZ-CD2 3.17Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.41Å; F311-H320 AromaticContact CZ-CG 3.12Å; F311-H320 AromaticContact CZ-ND1 3.84Å; F311-H320 AromaticContact CZ-NE2 3.86Å
312V88.4Confident90.2Very high110 Ų11078 Ų7867%0.66740%0.404SS*.EExtended strand (participates in β ladder)trans-74.999.5170.9-171.80000108.5M300 S316M300-V312 CarbonylContact O-C 3.59Å; M300-V312 WeakPolarHBondContact O-CA 3.13Å; V312-S316 PolarHBondContact O-OG 2.97Å
313G87.7Confident90.6Very high23 Ų2383.9 Ų83.924%0.23743%0.428CS..SBendtrans82.7148.8178.200000115.4M300 F311 R315 S316 L317M300-G313 PolarHBondContact O-N 3.46Å; F311-G313 PolarHBondContact O-N 3.22Å; F311-G313 VanDerWaalsContact O-N 3.08Å; G313-R315 PolarHBondContact O-N 3.37Å; G313-S316 PolarHBondContact O-N 3.33Å; G313-S316 VanDerWaalsContact O-N 3.1Å; G313-S316 PolarHBondContact O-OG 2.82Å; G313-L317 PolarHBondContact O-N 3.32Å
314R87.2Confident90.6Very high160 Ų16082.6 Ų82.660%0.60442%0.423SS*.Hα-helixtrans-60.5-22.4-176.1-172.9157.7-77.9160.4-4.1114.5N318R314-N318 VanDerWaalsContact O-CB 3.31Å; R314-N318 WeakPolarHBondContact O-CB 3.47Å; R314-N318 PolarHBondContact O-N 3.02Å
315R90.4Very high90.3Very high214 Ų21484.6 Ų84.681%0.80843%0.432SS*.Hα-helixtrans-66.7-42.6175.1-173.2176.6-174.3169.92.9112.3G313 N318 I319G313-R315 PolarHBondContact O-N 3.37Å; R315-N318 PolarHBondContact O-N 3.45Å; R315-I319 HydrophobicContact CG-CD1 4.22Å; R315-I319 VanDerWaalsContact O-CG1 3.32Å; R315-I319 WeakPolarHBondContact O-CG1 3.48Å; R315-I319 PolarHBondContact O-N 3.09Å
316S92Very high89.5Confident40 Ų4082.9 Ų82.928%0.2842%0.423SS..Hα-helixtrans-74.9-34.5-179.359.60000111.2F311 V312 G313 H320F311-S316 WeakPolarHBondContact CB-OG 3.38Å; V312-S316 PolarHBondContact O-OG 2.97Å; G313-S316 PolarHBondContact O-N 3.33Å; G313-S316 VanDerWaalsContact O-N 3.1Å; G313-S316 PolarHBondContact O-OG 2.82Å; S316-H320 WeakPolarHBondContact O-CB 3.48Å; S316-H320 PolarHBondContact O-N 3.42Å
317L91.6Very high87.9Confident16 Ų1685.3 Ų85.38%0.08443%0.434CS..Hα-helixtrans-59.3-48.1166.3172.959.9000112.4T302 C304 F311 G313 I319 H320 L321T302-L317 WeakPolarHBondContact OG1-CB 3.43Å; C304-L317 HydrophobicContact CB-CD1 3.96Å; F311-L317 HydrophobicContact CB-CB 3.96Å; F311-L317 HydrophobicContact CD2-CB 4.14Å; F311-L317 HydrophobicContact CD2-CD1 3.88Å; F311-L317 HydrophobicContact CE2-CD1 4.29Å; F311-L317 HydrophobicContact CG-CB 4.08Å; G313-L317 PolarHBondContact O-N 3.32Å; L317-I319 PolarHBondContact O-N 3.33Å; L317-H320 CarbonylContact O-C 3.53Å; L317-H320 WeakPolarHBondContact O-CB 3.48Å; L317-H320 PolarHBondContact O-N 2.93Å; L317-H320 VanDerWaalsContact O-N 3.09Å; L317-L321 HydrophobicContact CD1-CD1 4.01Å; L317-L321 HydrophobicContact CD1-CG 3.94Å; L317-L321 HydrophobicContact CG-CD1 4Å; L317-L321 HydrophobicContact CG-CG 4.38Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.29Å
318N89.8Confident85.8Confident87 Ų8790.7 Ų90.747%0.46545%0.453SS..Hα-helixtrans-60.1-45.2179.3-176.2-54.6000111.5R314 R315 H320 L321 N322R314-N318 VanDerWaalsContact O-CB 3.31Å; R314-N318 WeakPolarHBondContact O-CB 3.47Å; R314-N318 PolarHBondContact O-N 3.02Å; R315-N318 PolarHBondContact O-N 3.45Å; N318-H320 VanDerWaalsContact C-N 3.27Å; N318-H320 PolarHBondContact O-N 3.07Å; N318-L321 PolarHBondContact O-N 3.02Å; N318-N322 WeakPolarHBondContact O-CB 3.3Å; N318-N322 PolarHBondContact O-N 3.42Å; N318-N322 PolarHBondContact OD1-ND2 3.01Å
319I91.1Very high83.8Confident75 Ų7593.5 Ų93.539%0.38546%0.462SS..Hα-helixtrans-60.2-36.8174.1-68.1164.5000111.7R315 L317 K323R315-I319 HydrophobicContact CG-CD1 4.22Å; R315-I319 VanDerWaalsContact O-CG1 3.32Å; R315-I319 WeakPolarHBondContact O-CG1 3.48Å; R315-I319 PolarHBondContact O-N 3.09Å; L317-I319 PolarHBondContact O-N 3.33Å; I319-K323 WeakPolarHBondContact O-CB 3.2Å; I319-K323 PolarHBondContact O-N 3.42Å; I319-K323 VanDerWaalsContact O-N 3.09Å
320H94.2Very high81.4Confident7 Ų794.2 Ų94.23%0.03247%0.473CS..Hα-helixtrans-71.4-45.9176.5161.658.3000112.6C304 C307 F311 S316 L317 N318 N322 K323 T324 H325C304-H320 WeakPolarHBondContact CB-NE2 3.46Å; C304-H320 PolarHBondContact SG-NE2 3.21Å; C307-H320 VanDerWaalsContact SG-CE1 3.51Å; C307-H320 PolarHBondContact SG-NE2 3.37Å; F311-H320 HydrophobicContact CD1-CB 4.3Å; F311-H320 HydrophobicContact CE1-CB 3.5Å; F311-H320 AromaticContact CE1-CG 3.86Å; F311-H320 HydrophobicContact CE2-CB 3.96Å; F311-H320 AromaticContact CE2-CD2 3.1Å; F311-H320 WeakPolarHBondContact CE2-CD2 3.28Å; F311-H320 AromaticContact CE2-CG 3.6Å; F311-H320 AromaticContact CE2-NE2 3.78Å; F311-H320 HydrophobicContact CZ-CB 3.32Å; F311-H320 AromaticContact CZ-CD2 3.17Å; F311-H320 WeakPolarHBondContact CZ-CD2 3.41Å; F311-H320 AromaticContact CZ-CG 3.12Å; F311-H320 AromaticContact CZ-ND1 3.84Å; F311-H320 AromaticContact CZ-NE2 3.86Å; S316-H320 WeakPolarHBondContact O-CB 3.48Å; S316-H320 PolarHBondContact O-N 3.42Å; L317-H320 CarbonylContact O-C 3.53Å; L317-H320 WeakPolarHBondContact O-CB 3.48Å; L317-H320 PolarHBondContact O-N 2.93Å; L317-H320 VanDerWaalsContact O-N 3.09Å; N318-H320 VanDerWaalsContact C-N 3.27Å; N318-H320 PolarHBondContact O-N 3.07Å; H320-N322 VanDerWaalsContact C-N 3.32Å; H320-N322 PolarHBondContact O-N 3.29Å; H320-K323 PolarHBondContact O-N 3.25Å; H320-T324 VanDerWaalsContact CE1-CB 3.49Å; H320-T324 WeakPolarHBondContact CE1-CB 3.18Å; H320-T324 PolarHBondContact CE1-OG1 2.79Å; H320-T324 WeakPolarHBondContact ND1-CB 3.05Å; H320-T324 PolarHBondContact ND1-OG1 2.85Å; H320-T324 VanDerWaalsContact O-CB 3.28Å; H320-T324 WeakPolarHBondContact O-CB 3.31Å; H320-T324 PolarHBondContact O-N 3.34Å; H320-T324 PolarHBondContact O-OG1 2.78Å; H320-H325 AromaticContact CE1-CD2 3.64Å; H320-H325 AromaticContact CE1-NE2 3.37Å; H320-H325 PolarHBondContact CE1-NE2 2.77Å; H320-H325 AromaticContact NE2-CD2 3.54Å; H320-H325 AromaticContact NE2-NE2 3.33Å; H320-H325 PolarHBondContact NE2-NE2 2.87Å
321L92.8Very high78.9Confident48 Ų4893.2 Ų93.225%0.25148%0.482SS..Iπ-helixtrans-54.6-51.6172.9-72.2169.7000109.8L306 L317 N318 K323 H325 S326L306-L321 HydrophobicContact CD1-CD2 4.12Å; L317-L321 HydrophobicContact CD1-CD1 4.01Å; L317-L321 HydrophobicContact CD1-CG 3.94Å; L317-L321 HydrophobicContact CG-CD1 4Å; L317-L321 HydrophobicContact CG-CG 4.38Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.29Å; N318-L321 PolarHBondContact O-N 3.02Å; L321-K323 PolarHBondContact O-N 3.03Å; L321-H325 HydrophobicContact CD2-CB 4.32Å; L321-H325 CarbonylContact O-C 3.38Å; L321-H325 VanDerWaalsContact O-C 3.26Å; L321-H325 VanDerWaalsContact O-CA 3.28Å; L321-H325 WeakPolarHBondContact O-CA 3.28Å; L321-H325 WeakPolarHBondContact O-CB 3.4Å; L321-H325 PolarHBondContact O-N 2.78Å; L321-S326 PolarHBondContact O-N 2.84Å
322N89.6Confident76.2Confident100 Ų10096.3 Ų96.354%0.53551%0.508SS..Iπ-helixtrans-68.8-16.2-178.4-68.7-3.7000114.9N318 H320 S326N318-N322 WeakPolarHBondContact O-CB 3.3Å; N318-N322 PolarHBondContact O-N 3.42Å; N318-N322 PolarHBondContact OD1-ND2 3.01Å; H320-N322 VanDerWaalsContact C-N 3.32Å; H320-N322 PolarHBondContact O-N 3.29Å; N322-S326 VanDerWaalsContact CA-OG 3.31Å; N322-S326 WeakPolarHBondContact CA-OG 3.32Å; N322-S326 VanDerWaalsContact O-CB 3.3Å; N322-S326 WeakPolarHBondContact O-CB 3.18Å; N322-S326 PolarHBondContact O-OG 3.19Å
323K91Very high73.8Confident140 Ų14097.9 Ų97.961%0.60951%0.513SS*.Iπ-helixtrans-103-32.4178.9-174.8173.4-179.4-175.60113.5I319 H320 L321I319-K323 WeakPolarHBondContact O-CB 3.2Å; I319-K323 PolarHBondContact O-N 3.42Å; I319-K323 VanDerWaalsContact O-N 3.09Å; H320-K323 PolarHBondContact O-N 3.25Å; L321-K323 PolarHBondContact O-N 3.03Å
324T88Confident71.7Confident72 Ų72103.1 Ų103.144%0.44253%0.534SS..Iπ-helixtrans-110.8-27-170.9-46.30000112.2H320H320-T324 VanDerWaalsContact CE1-CB 3.49Å; H320-T324 WeakPolarHBondContact CE1-CB 3.18Å; H320-T324 PolarHBondContact CE1-OG1 2.79Å; H320-T324 WeakPolarHBondContact ND1-CB 3.05Å; H320-T324 PolarHBondContact ND1-OG1 2.85Å; H320-T324 VanDerWaalsContact O-CB 3.28Å; H320-T324 WeakPolarHBondContact O-CB 3.31Å; H320-T324 PolarHBondContact O-N 3.34Å; H320-T324 PolarHBondContact O-OG1 2.78Å
325H87.6Confident69.6Low52 Ų52102 Ų10224%0.24154%0.54CS..Iπ-helixtrans-122.8-1.2-175.5-59.4-68.9000114C304 L306 C307 H320 L321 I327C304-H325 VanDerWaalsContact SG-CD2 3.57Å; C304-H325 PolarHBondContact SG-NE2 3.48Å; L306-H325 VanDerWaalsContact CB-CE1 3.43Å; L306-H325 WeakPolarHBondContact CB-CE1 3.28Å; L306-H325 WeakPolarHBondContact CB-ND1 3.31Å; L306-H325 HydrophobicContact CD1-CB 3.53Å; C307-H325 PolarHBondContact SG-NE2 3.39Å; H320-H325 AromaticContact CE1-CD2 3.64Å; H320-H325 AromaticContact CE1-NE2 3.37Å; H320-H325 PolarHBondContact CE1-NE2 2.77Å; H320-H325 AromaticContact NE2-CD2 3.54Å; H320-H325 AromaticContact NE2-NE2 3.33Å; H320-H325 PolarHBondContact NE2-NE2 2.87Å; L321-H325 HydrophobicContact CD2-CB 4.32Å; L321-H325 CarbonylContact O-C 3.38Å; L321-H325 VanDerWaalsContact O-C 3.26Å; L321-H325 VanDerWaalsContact O-CA 3.28Å; L321-H325 WeakPolarHBondContact O-CA 3.28Å; L321-H325 WeakPolarHBondContact O-CB 3.4Å; L321-H325 PolarHBondContact O-N 2.78Å; H325-I327 PolarHBondContact O-N 3.18Å
326S72Confident67.2Low73 Ų7399 Ų9951%0.5154%0.539SS..  trans-69.169.9159.4-77.30000110.6L321 N322 K328L321-S326 PolarHBondContact O-N 2.84Å; N322-S326 VanDerWaalsContact CA-OG 3.31Å; N322-S326 WeakPolarHBondContact CA-OG 3.32Å; N322-S326 VanDerWaalsContact O-CB 3.3Å; N322-S326 WeakPolarHBondContact O-CB 3.18Å; N322-S326 PolarHBondContact O-OG 3.19Å; S326-K328 PolarHBondContact O-N 3.09Å
327I55.6Low64.8Low162 Ų162101.5 Ų101.583%0.83156%0.557SS**  trans-64.792.3140.6-61.6174.7000104.3H325 E329H325-I327 PolarHBondContact O-N 3.18Å; I327-E329 PolarHBondContact O-N 3.44Å
328K49.1Very low62.6Low153 Ų153106.8 Ų106.867%0.66559%0.591SS**  trans-15.6126.6161.7175.6-177.3175.8-169.90111S326 N330S326-K328 PolarHBondContact O-N 3.09Å; K328-N330 WeakPolarHBondContact CD-OD1 3.3Å; K328-N330 VanDerWaalsContact CE-OD1 3.27Å; K328-N330 WeakPolarHBondContact CE-OD1 3.38Å; K328-N330 PolarHBondContact O-N 3.39Å
329E46.8Very low60.1Low198 Ų198109.5 Ų109.593%0.92561%0.605SS**  trans-60.279164.9-65.6176.1-160.200108.5I327 G331I327-E329 PolarHBondContact O-N 3.44Å; E329-G331 PolarHBondContact O-N 2.89Å
330N40.9Very low58Low120 Ų120111.2 Ų111.264%0.64262%0.623SS**  trans-66.1118.5172.8-113.515.8000105.4K328 S332K328-N330 WeakPolarHBondContact CD-OD1 3.3Å; K328-N330 VanDerWaalsContact CE-OD1 3.27Å; K328-N330 WeakPolarHBondContact CE-OD1 3.38Å; K328-N330 PolarHBondContact O-N 3.39Å; N330-S332 PolarHBondContact O-N 3.22Å
331G39.7Very low55.3Low74 Ų74119.3 Ų119.376%0.76367%0.667SS**  trans-46.8124.5178.800000110.6E329 N333E329-G331 PolarHBondContact O-N 2.89Å; G331-N333 PolarHBondContact O-N 2.91Å; G331-N333 VanDerWaalsContact O-N 3.11Å
332S35Very low52.9Low99 Ų99122.3 Ų122.369%0.69269%0.692SS**  trans-59.8111.8-172-163.40000112N330 I334N330-S332 PolarHBondContact O-N 3.22Å; S332-I334 WeakPolarHBondContact OG-CD1 3.48Å; S332-I334 WeakPolarHBondContact OG-CG1 3.45Å
333N37.7Very low50.8Low143 Ų143124.6 Ų124.677%0.76570%0.703SS**  trans-151.392.5156.9-110.9-12000103.6G331G331-N333 PolarHBondContact O-N 2.91Å; G331-N333 VanDerWaalsContact O-N 3.11Å
334I44Very low48.5Very low133 Ų133125.4 Ų125.468%0.68271%0.714SS**  62.56162-42.5176.4000112.4S332S332-I334 WeakPolarHBondContact OG-CD1 3.48Å; S332-I334 WeakPolarHBondContact OG-CG1 3.45Å
335N43.1Very low46.2Very low136 Ų136129 Ų12973%0.72773%0.731SS**  trans-17967.2159.750.5-16.8000107.9
336N39.9Very low44.1Very low150 Ų150132.6 Ų132.680%0.80276%0.758SS**  46.4120.768.6-144.731.2000113.5
337S41.5Very low42.3Very low94 Ų94132.4 Ų132.466%0.65777%0.768SS**  trans77.295.2166.1-580000120.2
338T45.5Very low41.5Very low127 Ų127130 Ų13078%0.77977%0.765SS**  80.8124.4116.5-46.20000119.7
339N37Very low41.2Very low143 Ų143128.3 Ų128.377%0.76577%0.768SS**  trans-12.7128.8148.3-64.7-18000115.9
340S46.3Very low41.2Very low111 Ų111124.3 Ų124.378%0.77676%0.757SS**  172.3132.3103.8-72.20000110.1S342S340-S342 PolarHBondContact O-N 3Å; S340-S342 VanDerWaalsContact O-N 3.17Å
341N38.8Very low41.2Very low178 Ų178125 Ų12595%0.95276%0.76SS**  trans-68.8109.9165.4-64.2-28.1000108.6
342S41.8Very low41Very low111 Ų111128.7 Ų128.778%0.77676%0.763SS**  trans-145.8130.5154.6-162.80000110.9S340S340-S342 PolarHBondContact O-N 3Å; S340-S342 VanDerWaalsContact O-N 3.17Å
343I45.5Very low41.4Very low148 Ų148130.9 Ų130.976%0.75977%0.772SS**  trans-65135.8164.8-64.9150.9000107.4
344D42.7Very low41.5Very low157 Ų157131.5 Ų131.584%0.8478%0.776SS**  trans174.9130.8133.5-87.3-28.5000111
345N39Very low41.2Very low148 Ų148130 Ų13079%0.79178%0.783SS**  trans-123.3133.4175.2-172.910.7000105.8
346P43.4Very low41.2Very low126 Ų126131.2 Ų131.282%0.81878%0.784SS**  -154.4138.7103.235.5-16000117.1
347G36.2Very low41Very low70 Ų70130.9 Ų130.972%0.72278%0.778SS**  71.6106.9120.900000122.2
348S38.4Very low40.8Very low111 Ų111132.8 Ų132.878%0.77678%0.78SS**  trans-163.3105.8138.7-168.80000107.7
349V43Very low40.3Very low117 Ų117135.2 Ų135.271%0.70978%0.78SS**  43112.585.8-157.40000110.4
350T46.2Very low40.2Very low114 Ų114135.1 Ų135.170%0.69978%0.784SS**  -154.2136.157.848.20000116
351N41Very low39.8Very low134 Ų134136.5 Ų136.572%0.71778%0.783SS**  52.8101.6126.8-47.8-12.4000122.7
352N36.1Very low39.8Very low152 Ų152132.9 Ų132.981%0.81377%0.772SS**  20125.2125-45.9-4.4000120.7
353T43.1Very low39.6Very low145 Ų145133.3 Ų133.389%0.8977%0.769SS**  trans-149.9131.7130.2-30.90000110.6
354D38.6Very low39.2Very low157 Ų157131.5 Ų131.584%0.8477%0.77SS**  trans-76.8137.3178.2-55.4-82000113
355A38.6Very low38.8Very low100 Ų100133.3 Ų133.383%0.82677%0.77SS**  trans-157.1101.1160.500000112.1
356E42.8Very low38.5Very low162 Ų162134.5 Ų134.576%0.75778%0.776SS**  trans9.5123.4154.1-65.5-15497.800122.5
357Q36Very low38.1Very low144 Ų144133.9 Ų133.967%0.67377%0.77SS**  73118.5122.6-62-15367.100122.6
358L38Very low38Very low134 Ų134141.8 Ų141.870%0.70278%0.778SS**  trans83.9112.3133.6-69.2169.2000121.7
359K34.1Very low37.8Very low178 Ų178142.7 Ų142.777%0.77477%0.773SS**  trans66.484.9140.2-75.1179.5171.4173.70119.1N361K359-N361 PolarHBondContact O-N 3Å
360T35.5Very low37.4Very low140 Ų140143 Ų14386%0.85978%0.775SS**  trans-84.581.8150.852.30000111.5S362T360-S362 PolarHBondContact O-N 3.02Å
361N37.3Very low36.9Very low140 Ų140145.6 Ų145.675%0.74978%0.778SS**  trans-8585.5163.2-103.44.8000109.2K359 V363K359-N361 PolarHBondContact O-N 3Å; N361-V363 VanDerWaalsContact C-N 3.29Å; N361-V363 PolarHBondContact O-N 3.5Å
362S39.6Very low36.7Very low103 Ų103143.8 Ų143.872%0.7278%0.781SS**  trans-78.672.717958.50000112T360 S364T360-S362 PolarHBondContact O-N 3.02Å; S362-S364 PolarHBondContact O-N 2.92Å
363V36Very low36.7Very low119 Ų119147.2 Ų147.272%0.72178%0.783SS**  trans-83.783169.2-166.40000108.7N361 K365N361-V363 VanDerWaalsContact C-N 3.29Å; N361-V363 PolarHBondContact O-N 3.5Å; V363-K365 PolarHBondContact O-N 2.92Å
364S38.7Very low36.1Very low111 Ų111145.8 Ų145.878%0.77678%0.778SS**  trans-68.988.6179.6-65.60000111.4S362 L366S362-S364 PolarHBondContact O-N 2.92Å; S364-L366 PolarHBondContact O-N 3.32Å; S364-L366 VanDerWaalsContact O-N 3.15Å
365K33.5Very low36.4Very low194 Ų194145.5 Ų145.584%0.84378%0.776SS**  trans-57112.1167.4-65.3173.1178.9175.80109.2V363V363-K365 PolarHBondContact O-N 2.92Å
366L33.4Very low36.1Very low173 Ų173151.5 Ų151.591%0.90678%0.777SS**  trans-108111.4167.4-15373.8000110.7S364 R368S364-L366 PolarHBondContact O-N 3.32Å; S364-L366 VanDerWaalsContact O-N 3.15Å; L366-R368 PolarHBondContact O-N 3.34Å
367T34.6Very low35.7Very low113 Ų113147.6 Ų147.669%0.69378%0.78SS**  trans-63.6122-174.4-51.80000112.1L369T367-L369 HydrophobicContact CG2-CG 4.32Å; T367-L369 PolarHBondContact O-N 2.66Å
368R33.1Very low35.8Very low236 Ų236149.5 Ų149.589%0.89179%0.794SS**  trans-6993.4165.6-111.9-173.8174.4-167.3-0.3109.5L366 T370L366-R368 PolarHBondContact O-N 3.34Å; R368-T370 PolarHBondContact O-N 2.81Å
369L34.8Very low35.7Very low131 Ų131146.8 Ų146.869%0.68680%0.799SS**  trans-8291.7167.4-83.5166.9000109.8T367 F371T367-L369 HydrophobicContact CG2-CG 4.32Å; T367-L369 PolarHBondContact O-N 2.66Å; L369-F371 HydrophobicContact CB-CD2 4.17Å; L369-F371 HydrophobicContact CB-CE2 4.05Å; L369-F371 HydrophobicContact CD1-CE2 4.33Å; L369-F371 HydrophobicContact CD2-CE2 4.41Å; L369-F371 PolarHBondContact O-N 3.43Å
370T34.9Very low35.8Very low122 Ų122142.1 Ų142.175%0.74880%0.802SS**  trans-73.786.1173.344.10000111.3R368 A372R368-T370 PolarHBondContact O-N 2.81Å; T370-A372 VanDerWaalsContact C-N 3.29Å; T370-A372 PolarHBondContact O-N 2.99Å
371F35.2Very low35.9Very low170 Ų170142 Ų14275%0.74680%0.796SS**  trans-76.876.8169.3-81.7-77.6000111.7L369 R373L369-F371 HydrophobicContact CB-CD2 4.17Å; L369-F371 HydrophobicContact CB-CE2 4.05Å; L369-F371 HydrophobicContact CD1-CE2 4.33Å; L369-F371 HydrophobicContact CD2-CE2 4.41Å; L369-F371 PolarHBondContact O-N 3.43Å; F371-R373 PolarHBondContact O-N 3.27Å
372A36.8Very low36.2Very low95 Ų95143.1 Ų143.179%0.78579%0.794SS**  trans-71.890.416600000110.1T370 S374T370-A372 VanDerWaalsContact C-N 3.29Å; T370-A372 PolarHBondContact O-N 2.99Å; A372-S374 PolarHBondContact O-N 2.9Å
373R36.8Very low36.2Very low225 Ų225145.5 Ų145.585%0.84980%0.799SS**  trans-75.389.7169.8-79.3-173.1176.3171.70.9110.2F371 L375F371-R373 PolarHBondContact O-N 3.27Å; R373-L375 PolarHBondContact O-N 3.32Å
374S30.8Very low36.4Very low115 Ų115144.4 Ų144.480%0.80480%0.795SS**  trans-59.9126.1166.7178.50000110.8A372A372-S374 PolarHBondContact O-N 2.9Å
375L44.1Very low36.4Very low150 Ų150145.5 Ų145.579%0.78579%0.792SS**  trans-119.488.2171.5-95.1167.5000110.4R373R373-L375 PolarHBondContact O-N 3.32Å
376R32.7Very low36.6Very low226 Ų226143.8 Ų143.885%0.85379%0.79SS**  trans4789.4144.3-58.1-179-174.7-145.7-0.6117.4
377G34.6Very low36.7Very low80 Ų80143.1 Ų143.183%0.82579%0.788SS**  trans-105.6128.4144.100000109.3
378L38.3Very low36.7Very low184 Ų184143.7 Ų143.796%0.96379%0.787SS**  trans-85.3141.7-177.2-74142.9000111.7
379G34.8Very low36.8Very low78 Ų78138.2 Ų138.280%0.80478%0.775SS**  trans129.585147.300000119.2
380G36.4Very low37Very low80 Ų80138.5 Ų138.583%0.82578%0.777SS**  trans62.5161141.500000121.1
381N38.6Very low37.3Very low138 Ų138138.7 Ų138.774%0.73877%0.774SS**  cis-167148.3-13.8-161.5-6.9000109.3
382K43.6Very low37.5Very low163 Ų163136.2 Ų136.271%0.70977%0.768SS**  trans71.1109.5165.7-45.6-169.1-175178.80115.8
383N37.7Very low37.7Very low153 Ų153138.6 Ų138.682%0.81877%0.768SS**  76.313787.8-72.919.6000112.7
384C40.7Very low37.8Very low95 Ų95135.8 Ų135.864%0.64276%0.762SS**  cis-168161.62.540.30000111.6
385D39.5Very low38Very low135 Ų135135.3 Ų135.372%0.72275%0.754SS**  trans55114.2155.1-45-30000119.2
386I36.5Very low37.7Very low157 Ų157133 Ų13381%0.80575%0.746SS**  55.1102.769.2-53.2172.9000113.2
387N36.7Very low37.8Very low159 Ų159129.1 Ų129.185%0.8574%0.742SS**  -166.3171.7107.9-141-14.5000114.4
388N33.6Very low38Very low125 Ų125134.2 Ų134.267%0.66875%0.745SS**  trans-97.1164.6-161.7-122.6-2.8000115.4
389N35.7Very low37.8Very low121 Ų121131.5 Ų131.565%0.64774%0.736SS**  trans58.7126.1147.1-60.3-8.6000121.1
390N39.7Very low38Very low137 Ų137134.7 Ų134.773%0.73374%0.74SS**  -177.9141.4100.9-92.4-16.3000112.5
391N41.3Very low37.8Very low127 Ų127140 Ų14068%0.67974%0.741SS**  trans44.2150.1132.6-58.334.8000120.6
392D39Very low37.7Very low118 Ų118139.4 Ų139.463%0.63175%0.747SS**  cis-170.8170.1-10.9-105.7-35.7000107.5
393N40.8Very low37.3Very low145 Ų145137.4 Ų137.478%0.77575%0.749SS**  trans86.6146.1160.6-50.9-64000118.7
394K38.3Very low37.3Very low165 Ų165135.5 Ų135.572%0.71775%0.748SS**  cis175.7151.7-30.5163.8173.5170.1-177.30107.1
395T35.7Very low37.1Very low106 Ų106140.1 Ų140.165%0.6576%0.76SS**  trans64.7143.5161.844.80000119.2
396T38.2Very low37.2Very low101 Ų101143.1 Ų143.162%0.6277%0.766SS**  cis-173.5142.5-14.419.80000109.7
397N34.5Very low37.1Very low144 Ų144141 Ų14177%0.7777%0.765SS**  trans62.9159.2146.9-41.7-15.4000118.2
398E39Very low37.3Very low188 Ų188141.4 Ų141.488%0.87977%0.767SS**  cis-132.6165.69.8-80.7-173.9147.800113.6
399T34.2Very low37.4Very low127 Ų127140.6 Ų140.678%0.77977%0.77SS**  trans-106.3141.9-176.3-55.40000110.7
400T37.7Very low37.6Very low145 Ų145144.4 Ų144.489%0.8978%0.78SS**  177.7152.9122.429.30000114.9
401K33.8Very low37.3Very low192 Ų192145.1 Ų145.184%0.83578%0.783SS**  trans-77.8159.4-176.5-66.1169.5168.6178.80113.2
402S36.3Very low37.2Very low125 Ų125145.1 Ų145.187%0.87479%0.787SS**  -137.2146.7129.768.50000111.3
403T33.9Very low37Very low120 Ų120145.1 Ų145.174%0.73679%0.791SS**  trans-111.4141.1-170.629.50000111.3
404S38.5Very low37.4Very low114 Ų114145.1 Ų145.180%0.79778%0.78SS**  trans-153.6105.3147.967.20000111.3
405E35.6Very low37.6Very low191 Ų191141.1 Ų141.189%0.89377%0.771SS**  trans-85136170.3-62.7174.9141.900109.4
406K42.3Very low37.8Very low199 Ų199141.5 Ų141.587%0.86578%0.775SS**  trans-131102.2165.9-77.3-175.5177.8176.50108.8L408K406-L408 PolarHBondContact O-N 3.22Å
407S34.8Very low38.3Very low112 Ų112142.9 Ų142.978%0.78378%0.777SS**  trans-70.9118.1176.641.80000110.9
408L40Very low38.8Very low168 Ų168142.7 Ų142.788%0.8878%0.776SS**  trans-103.291.2166.4-82.8168.4000109.2K406 K410K406-L408 PolarHBondContact O-N 3.22Å; L408-K410 PolarHBondContact O-N 3.04Å; L408-K410 VanDerWaalsContact O-N 3.13Å
409C35.3Very low39.1Very low108 Ų108139.2 Ų139.273%0.7377%0.769SS**  trans-65.2108.6174.2-62.90000109.9I411C409-I411 PolarHBondContact O-N 3.13Å
410K41.3Very low39.5Very low201 Ų201143.1 Ų143.187%0.87477%0.77SS**  trans-66.8102.4172-74.6-178.51761790109.8L408 V412L408-K410 PolarHBondContact O-N 3.04Å; L408-K410 VanDerWaalsContact O-N 3.13Å; K410-V412 PolarHBondContact O-N 3.17Å
411I33.2Very low39.6Very low152 Ų152142.2 Ų142.278%0.77977%0.767SS**  trans-72.5107.6173.5-60.1172.6000108.4C409 V413C409-I411 PolarHBondContact O-N 3.13Å; I411-V413 HydrophobicContact CG2-CG2 4.2Å
412V38.6Very low39.9Very low127 Ų127138.7 Ų138.777%0.7777%0.766SS**  trans-97.1101172.3179.20000108.7K410K410-V412 PolarHBondContact O-N 3.17Å
413V35.2Very low40.1Very low117 Ų117142.8 Ų142.871%0.70976%0.762SS**  trans-69.9130.7172.9-175.80000108.7I411I411-V413 HydrophobicContact CG2-CG2 4.2Å
414R49Very low40.4Very low145 Ų145144.9 Ų144.955%0.54777%0.766SS.*  trans-116.1131.6-172.1-167.2174.2-174.1153.6-0.2110.1
415P42.7Very low40.6Very low82 Ų82145.6 Ų145.653%0.53277%0.765SS.*  trans-62.1145.8178-2333.4000112.6I417P415-I417 PolarHBondContact O-N 3.22Å
416P39.4Very low40.7Very low113 Ų113142.9 Ų142.973%0.73476%0.757SS**  trans-74.3123.5176.529.9-33000111
417I48.3Very low40.5Very low130 Ų130138.4 Ų138.467%0.66775%0.751SS**  trans-99.1106.2173.3-58.8175.8000108P415P415-I417 PolarHBondContact O-N 3.22Å
418L46.4Very low40.8Very low141 Ų141140 Ų14074%0.73875%0.749SS**  trans-63.8150.5177.7-69.4169.7000112.2
419P44.7Very low40.8Very low115 Ų115140 Ų14075%0.74775%0.748SS**  trans-68.7149.1176.429.3-34.6000112.1
420R42.6Very low40.8Very low209 Ų209137.5 Ų137.579%0.78974%0.741SS**  trans-110.7149.6164.2-90.8-173175.7179.60109.3
421P39.1Very low40.5Very low126 Ų126133.5 Ų133.582%0.81874%0.738SS**  trans-69.1141.7-155.124.8-35.3000114.4R423P421-R423 PolarHBondContact O-N 3.11Å
422S41.4Very low40.7Very low118 Ų118131.1 Ų131.183%0.82574%0.735SS**  trans-58.6127178-58.50000112.2M424S422-M424 PolarHBondContact O-N 3.17Å; S422-M424 VanDerWaalsContact O-N 3.12Å
423R40.5Very low40.7Very low211 Ų211132 Ų13280%0.79674%0.741SS**  trans-74100173.9-164.4175.5-171.1171.80.9109P421 T425P421-R423 PolarHBondContact O-N 3.11Å; R423-T425 PolarHBondContact O-N 3.44Å; R423-T425 VanDerWaalsContact O-N 3.11Å
424M40.8Very low40.6Very low164 Ų164131.5 Ų131.581%0.80874%0.743SS**  trans-55.5118.1176.2-71.8-17782.400110.5S422 N426S422-M424 PolarHBondContact O-N 3.17Å; S422-M424 VanDerWaalsContact O-N 3.12Å; M424-N426 PolarHBondContact O-N 3.16Å
425T41.6Very low39.9Very low129 Ų129130.4 Ų130.479%0.79175%0.754SS**  trans-76.498.4168.237.70000109R423 S427R423-T425 PolarHBondContact O-N 3.44Å; R423-T425 VanDerWaalsContact O-N 3.11Å; T425-S427 VanDerWaalsContact C-N 3.27Å; T425-S427 PolarHBondContact O-N 3.17Å
426N37.8Very low39.6Very low134 Ų134132 Ų13272%0.71777%0.768SS**  trans-67.785.1169.7-80.9-13.5000110.3M424 I428M424-N426 PolarHBondContact O-N 3.16Å; N426-I428 PolarHBondContact O-N 2.88Å
427S38.8Very low39.7Very low105 Ų105136.5 Ų136.573%0.73478%0.775SS**  trans-72.471.7165.7-72.80000110.6T425 I429T425-S427 VanDerWaalsContact C-N 3.27Å; T425-S427 PolarHBondContact O-N 3.17Å; S427-I429 PolarHBondContact O-N 3.47Å; S427-I429 VanDerWaalsContact O-N 3.15Å
428I39.6Very low39.1Very low145 Ų145136.9 Ų136.974%0.74478%0.784SS**  trans-77.694.1162.3-63178.5000107.2N426 G430N426-I428 PolarHBondContact O-N 2.88Å; I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 3.15Å
429I40.7Very low38.8Very low167 Ų167137 Ų13786%0.85679%0.786SS**  trans-69.495.8163.1-61.2174.9000106.5S427S427-I429 PolarHBondContact O-N 3.47Å; S427-I429 VanDerWaalsContact O-N 3.15Å
430G34.6Very low38.6Very low57 Ų57137.8 Ų137.859%0.58879%0.788SS**  trans-143.469.1-17300000112.1I428I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 3.15Å
431S35.5Very low38.7Very low117 Ų117134 Ų13482%0.81878%0.784SS**  trans-171.5136.2165.6-79.40000107.4
432S38.5Very low38.8Very low101 Ų101136.5 Ų136.571%0.70678%0.781SS**  cis-150.9129.8943.20000111.3S434S432-S434 PolarHBondContact O-N 3.42Å
433T36.9Very low39Very low145 Ų145140.4 Ų140.489%0.8978%0.783SS**  trans-8396.716328.50000109.3P435T433-P435 WeakPolarHBondContact O-CD 3.27Å
434S34.9Very low39Very low108 Ų108137.1 Ų137.176%0.75578%0.782SS**  trans-66.8124.6172.8-62.40000111.3S432 S436S432-S434 PolarHBondContact O-N 3.42Å; S434-S436 PolarHBondContact O-N 3.32Å
435P33.4Very low38.9Very low121 Ų121136.4 Ų136.479%0.78678%0.781SS**  trans-87.3109.3172.932.8-29.4000109.9T433T433-P435 WeakPolarHBondContact O-CD 3.27Å
436S36.5Very low38.8Very low116 Ų116139.9 Ų139.981%0.81179%0.788SS**  trans-179.2106.9157.4-87.50000111.8S434S434-S436 PolarHBondContact O-N 3.32Å
437K40.7Very low38.9Very low207 Ų207138.2 Ų138.290%0.979%0.787SS**  trans-175.996.2143.4-103.5160.3-172.4-179.90109.1N439K437-N439 PolarHBondContact O-N 2.95Å
438T36Very low38.9Very low139 Ų139141.7 Ų141.785%0.85379%0.791SS**  trans-62.8111.4162.242.40000108.6
439N40.4Very low39Very low144 Ų144139.8 Ų139.877%0.7779%0.791SS**  trans-103.7100.3164.8-162.48.9000107.7K437K437-N439 PolarHBondContact O-N 2.95Å
440V40.1Very low39Very low131 Ų131137 Ų13779%0.79479%0.787SS**  trans-96.1106.5175.5175.30000107
441D45Very low39.3Very low130 Ų130139 Ų13970%0.69579%0.791SS**  trans-113148.3172.1-130.4-34.5000112.2
442K41.5Very low39.7Very low177 Ų177138.8 Ų138.877%0.7779%0.79SS**  trans-71.9148-159.6-63.2140.4176162.50113
443K46.1Very low39.8Very low200 Ų200138.6 Ų138.687%0.8779%0.789SS**  -178.1147.4101.1-97.2164-175175.70115.5
444N39.7Very low40.1Very low142 Ų142137 Ų13776%0.75978%0.783SS**  trans87.4120152-103.85.2000121.8
445L39.4Very low40.4Very low150 Ų150138.7 Ų138.779%0.78578%0.782SS**  trans68.483.4145.5-58.6169.6000118.6
446Q39.3Very low40.8Very low201 Ų201137.8 Ų137.894%0.93978%0.779SS**  -146.5158.6130-119.3169.10.600111.7
447S38.5Very low41.2Very low100 Ų100140.7 Ų140.770%0.69978%0.78SS**  trans-91.9161.5-152.6-470000115
448E38.9Very low41.3Very low177 Ų177136.7 Ų136.783%0.82777%0.768SS**  trans74112.8144.8-75.9161.3-160.400121.1
449S41.9Very low41.5Very low105 Ų105137.2 Ų137.273%0.73476%0.764SS**  trans94.2119.1131.673.90000120
450S40.6Very low41.7Very low110 Ų110134.7 Ų134.777%0.76976%0.757SS**  trans59.7134.9153.432.10000119.4
451S41.3Very low41.8Very low98 Ų98135 Ų13569%0.68576%0.759SS**  cis-174.7141.6-6.238.70000109.6
452S43.4Very low41.6Very low112 Ų112133.7 Ų133.778%0.78376%0.761SS**  trans55.3141.4157.252.80000120.1
453S41.6Very low41.7Very low98 Ų98135.5 Ų135.569%0.68576%0.763SS**  cis-178.3141-7.4470000110.6
454S43.3Very low41.7Very low110 Ų110131.7 Ų131.777%0.76975%0.752SS**  trans63.3147.2145.7-53.10000118.9
455I40.2Very low41.8Very low145 Ų145131.9 Ų131.974%0.74475%0.753SS**  cis-157.2138.815.1-114.1147.8000104.8
456S42.7Very low42.1Very low101 Ų101133 Ų13371%0.70675%0.754SS**  cis94.314548.9-660000114.6
457Q45.5Very low42.3Very low178 Ų178128.5 Ų128.583%0.83275%0.745SS**  trans86.3137.9168.2-63.5-173.8-21.600118.6
458D41.3Very low42.5Very low123 Ų123132.9 Ų132.966%0.65875%0.754SS**  cis-169.5173.2-17.8-135.7-42.5000113.6
459I41.7Very low42.7Very low149 Ų149132.5 Ų132.576%0.76475%0.752SS**  trans72.4148.4157.9-59.3147.5000119.3
460S43.4Very low42.8Very low91 Ų91134.1 Ų134.164%0.63675%0.752SS**  168.4160.3-56.6-82.60000111
461V42.2Very low42.7Very low138 Ų138134 Ų13484%0.83675%0.751SS**  trans73.3136.8163.1-169.30000115.7
462S40.5Very low42.6Very low103 Ų103135.3 Ų135.372%0.7276%0.757SS**  cis-169.1-168.2-12-98.50000107.9
463R43.6Very low42.5Very low215 Ų215137.6 Ų137.681%0.81176%0.755SS**  cis171.2163.6-47.4-157.7-173.7-174.4170.51.4108.8
464N46.8Very low42.4Very low120 Ų120141.5 Ų141.564%0.64276%0.76SS**  trans85.6112.9167.7-47.4-14.9000115.3
465N42.4Very low41.9Very low145 Ų145141.5 Ų141.578%0.77576%0.76SS**  80143.484-59.41.9000111.1
466E44.5Very low41.7Very low175 Ų175146.2 Ų146.282%0.81877%0.768SS**  cis-150.9141.430.3-68.1178128.500108.3
467S44.1Very low41.4Very low106 Ų106146.2 Ų146.274%0.74177%0.766SS**  102.4159.275-62.40000114.1
468E43.4Very low40.8Very low192 Ų192143.8 Ų143.890%0.89776%0.763SS**  trans69113.7179.5-61.4-173.910900116.6
469E43.3Very low40.5Very low168 Ų168143.5 Ų143.579%0.78577%0.766SS**  cis108.6141.215.8-144.8-158.5143.700114.8
470L43.1Very low40Very low139 Ų139146.9 Ų146.973%0.72877%0.771SS**  trans63.2104.5167.3-66.5149.3000118.6
471S37.5Very low39.7Very low108 Ų108146.8 Ų146.876%0.75578%0.775SS**  177137.271.3-710000113.2
472P40.1Very low39.4Very low125 Ų125146.7 Ų146.781%0.81278%0.775SS**  trans-114.8118.7168.635.3-24.6000113.8
473Q40.9Very low39.1Very low160 Ų160147.1 Ų147.175%0.74878%0.778SS**  trans-152148.4166.3-72.9-163.916.200107.9
474K39.3Very low39.3Very low181 Ų181142.5 Ų142.579%0.78778%0.775SS**  cis-157.3153.71.8-117.5162.5-177.2154.10108
475S34Very low39.1Very low109 Ų109142.4 Ų142.476%0.76278%0.782SS**  trans-99.2144173.650.20000112.4
476R36Very low38.7Very low244 Ų244144.1 Ų144.192%0.92179%0.79SS**  trans158164156.4-95.8166.5-178.3-130.4-0.7110.8
477P35.8Very low38.6Very low102 Ų102139.7 Ų139.766%0.66278%0.783SS**  cis-128.9149.6-18.734.1-17.8000113.8
478T32.2Very low38.2Very low126 Ų126141 Ų14177%0.77379%0.787SS**  trans-73.1132.9161-51.30000109.6Y480T478-Y480 HydrophobicContact CG2-CD2 4.36Å; T478-Y480 HydrophobicContact CG2-CE2 4.15Å
479V36.2Very low38Very low118 Ų118140.5 Ų140.572%0.71578%0.784SS**  trans-115.3123.2175178.50000109.3
480Y30.8Very low37.9Very low220 Ų220141.6 Ų141.686%0.86379%0.79SS**  trans-97.1127.7165.1-78.3-93.6000108.9T478T478-Y480 HydrophobicContact CG2-CD2 4.36Å; T478-Y480 HydrophobicContact CG2-CE2 4.15Å
481A37.6Very low37.7Very low88 Ų88146.4 Ų146.473%0.72780%0.798SS**  trans-134.398.7165.500000106.8
482V36.4Very low37.7Very low137 Ų137148.2 Ų148.283%0.8380%0.798SS**  63.697.495.4179.80000111.8
483S33.8Very low37.8Very low111 Ų111148 Ų14878%0.77680%0.799SS**PPolyproline II helixtrans-69.2140.3175.5-49.20000112.2
484P48.1Very low37.9Very low118 Ų118148 Ų14877%0.76680%0.804SS**PPolyproline II helixtrans-69.2157.6168.2-18.132.5000112.8
485P41.2Very low38.2Very low119 Ų119142.7 Ų142.777%0.77379%0.793SS**PPolyproline II helixtrans-82.8156.8-172.933.6-36.3000114.2A487P485-A487 PolarHBondContact O-N 3.09Å
486L33.6Very low38.7Very low180 Ų180144.4 Ų144.494%0.94279%0.792SS**PPolyproline II helixtrans-62.9127.7169.6-71.277.2000110.9
487A42.8Very low39.3Very low83 Ų83137.3 Ų137.369%0.68678%0.78SS**  trans-149.7113.2163.700000112.9P485P485-A487 PolarHBondContact O-N 3.09Å
488T36.1Very low39.9Very low132 Ų132140.9 Ų140.981%0.8179%0.785SS**  trans52.776.8144.352.50000120.5
489E39.1Very low40.7Very low182 Ų182144.6 Ų144.685%0.8579%0.787SS**  trans-127.861.6141.7-73.4-14115700112.2R491E489-R491 VanDerWaalsContact C-N 3.34Å
490Q41.1Very low41.4Very low192 Ų192143.3 Ų143.390%0.89778%0.783SS**  trans-93.527.5169.4-82.4-171.9-30.700113
491R39.1Very low42.4Very low239 Ų239139 Ų13990%0.90277%0.774SS**  trans-126.127.3-164.8-78.6-166172.5-168.70.1117.6E489E489-R491 VanDerWaalsContact C-N 3.34Å
492I38.7Very low43Very low147 Ų147142.8 Ų142.875%0.75477%0.774SS**SBendtrans-119.7-7.7169.4-58-177.3000113.4L494I492-L494 PolarHBondContact O-N 3.31Å
493S41.5Very low43.8Very low120 Ų120143.1 Ų143.184%0.83977%0.768SS**THydrogen-bonded Turntrans-77.117.3-179.4-151.50000115.7
494L43.2Very low44.6Very low160 Ų160145.8 Ų145.884%0.83877%0.766SS**THydrogen-bonded Turntrans-143.642.9-168.6-109.5136.4000114.9I492I492-L494 PolarHBondContact O-N 3.31Å
495A44.5Very low44.9Very low69 Ų69146.6 Ų146.657%0.5776%0.764SS**SBendtrans-120.6-37.6172.700000114.5S497A495-S497 PolarHBondContact O-N 3.2Å
496I44.9Very low45.5Very low145 Ų145147.9 Ų147.974%0.74476%0.763SS**G310 helixtrans-77.8-19.4-171.5-60.5176.6000112.8K498I496-K498 VanDerWaalsContact C-N 3.28Å; I496-K498 PolarHBondContact O-N 3.43Å
497S48.6Very low46.4Very low96 Ų96145.2 Ų145.267%0.67175%0.754SS**G310 helixtrans-65.9-20.9179-179.80000114.5A495A495-S497 PolarHBondContact O-N 3.2Å
498K49.2Very low46.7Very low176 Ų176146.6 Ų146.677%0.76575%0.754SS**G310 helixtrans-83-14-175.5-76.4-174.9176.2177.90115.8I496I496-K498 VanDerWaalsContact C-N 3.28Å; I496-K498 PolarHBondContact O-N 3.43Å
499Y47.8Very low47.5Very low205 Ų205151.8 Ų151.880%0.80478%0.777SS**THydrogen-bonded Turntrans-92.5-16.7-179.4-87.5-88000114.6
500S50.9Low48Very low91 Ų91150.3 Ų150.364%0.63677%0.773SS**THydrogen-bonded Turntrans-80.7-33.6177.9-172.70000113K502S500-K502 VanDerWaalsContact C-N 3.29Å; S500-K502 PolarHBondContact O-N 3.33Å
501L51.6Low48.3Very low128 Ų128148.1 Ų148.167%0.6777%0.767SS**THydrogen-bonded Turntrans-71.1-19.7-175.4-131.480.2000114.5
502K50.7Low48.8Very low169 Ų169143 Ų14374%0.73576%0.759SS**THydrogen-bonded Turntrans-84.7-17.8-175.3-136.2176.4-174.5-1770114.1S500S500-K502 VanDerWaalsContact C-N 3.29Å; S500-K502 PolarHBondContact O-N 3.33Å
503M52.8Low49.4Very low143 Ų143142.8 Ų142.870%0.70476%0.759SS**THydrogen-bonded Turntrans-84.8-23.5171.8-71.4-63.9-7000112.6L505M503-L505 VanDerWaalsContact C-N 3.31Å; M503-L505 PolarHBondContact O-N 3.47Å
504F51.2Low49.9Very low167 Ų167144.2 Ų144.273%0.73275%0.754SS**THydrogen-bonded Turntrans-80.9-9-178.3-132-90.2000114.3
505L54.9Low50.4Low136 Ų136143.1 Ų143.171%0.71275%0.749SS**THydrogen-bonded Turntrans-99.34.9178.6-83.6162.7000113.9M503M503-L505 VanDerWaalsContact C-N 3.31Å; M503-L505 PolarHBondContact O-N 3.47Å
506L54.3Low50.8Low146 Ų146148.4 Ų148.476%0.76476%0.761SS**SBendtrans-1107.3178.8-84.3161.9000113.6
507T51.6Low51.3Low123 Ų123148.7 Ų148.776%0.75576%0.763SS**SBendtrans-123.816.6179.4-370000112.1
508V49.3Very low51.5Low112 Ų112153.1 Ų153.168%0.67977%0.77SS**  trans-138.174.6175.2-170.70000109.2
509N53.6Low51.7Low241 Ų241151 Ų151100%1.28977%0.771SS**  trans-167.60158.6-99.2-22.5000108.8

Retrieved 509 of 509 residues in 437.3 ms (Link to these results)