A0A077ZF12_TRITR Loading...

Zf-CCHC and PSP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 374 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.2Very low46.6Very low241 Ų241136.9 Ų136.9100%1.18788%0.882SS**  0116.50-77.1-177.3167.600107.4
2N51.9Low46.6Very low162 Ų162134.9 Ų134.987%0.86688%0.875SS**  trans61.296.7170.7-63.28.8000119.4
3D40.5Very low47Very low161 Ų161132.9 Ų132.986%0.86187%0.866SS**  trans-59.2140.5149.9-60.8-58000111.3
4S59.9Low47.6Very low122 Ų122130.9 Ų130.985%0.85386%0.856SS**  trans-156.2105.6154.3-78.90000110.1
5N46.3Very low48.4Very low168 Ų168134.5 Ų134.590%0.89886%0.857SS**  trans-59.5134.3167.9-87.1-36.4000111.3
6C48.9Very low49.7Very low134 Ų134140.3 Ų140.391%0.90586%0.857SS**  trans-131.6129.5154-90.70000109.4
7A45.2Very low50.9Low101 Ų101137.4 Ų137.484%0.83584%0.841SS**  trans-72.5148.3-161.900000114.7G9A7-G9 PolarHBondContact O-N 3.07Å
8A43.3Very low52Low108 Ų108139.2 Ų139.289%0.89384%0.844SS**  trans-66.3115.4168.900000111.1
9G39Very low52.3Low74 Ų74140.8 Ų140.876%0.76384%0.838SS**  trans-96.2103.616300000109.4A7 S11A7-G9 PolarHBondContact O-N 3.07Å; G9-S11 PolarHBondContact O-N 3.38Å; G9-S11 VanDerWaalsContact O-N 3.16Å
10S43.1Very low53.4Low120 Ų120139.6 Ų139.684%0.83983%0.832SS**  trans-67.7104.8172.952.40000110.3S12S10-S12 PolarHBondContact O-N 3.28Å
11S47.2Very low54.2Low115 Ų115139.4 Ų139.480%0.80483%0.826SS**  trans-76.6103.7167.556.30000109.3G9 S13G9-S11 PolarHBondContact O-N 3.38Å; G9-S11 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact O-N 3.47Å; S11-S13 VanDerWaalsContact O-N 3.12Å
12S47Very low55.3Low113 Ų113133.7 Ų133.779%0.7980%0.8SS**  trans-68.1103172.158.70000110.1S10 S14S10-S12 PolarHBondContact O-N 3.28Å; S12-S14 PolarHBondContact O-N 3.43Å; S12-S14 VanDerWaalsContact O-N 3.14Å
13S51.3Low56.4Low109 Ų109136.9 Ų136.976%0.76280%0.799SS**  trans-72.596.4167.353.80000109.4S11 E15S11-S13 PolarHBondContact O-N 3.47Å; S11-S13 VanDerWaalsContact O-N 3.12Å; S13-E15 PolarHBondContact O-N 3.45Å; S13-E15 VanDerWaalsContact O-N 3.16Å
14S55.3Low58Low104 Ų104137.3 Ų137.373%0.72779%0.794SS**  trans-7990.5168.665.90000109.2S12 R16S12-S14 PolarHBondContact O-N 3.43Å; S12-S14 VanDerWaalsContact O-N 3.14Å; S14-R16 PolarHBondContact O-N 3.44Å
15E60.1Low58.4Low185 Ų185137.1 Ų137.186%0.86479%0.79SS**  trans-63.8113.9166.7-75.9-174.3158.600109S13S13-E15 PolarHBondContact O-N 3.45Å; S13-E15 VanDerWaalsContact O-N 3.16Å
16R69.9Low59Low228 Ų228133.5 Ų133.586%0.8678%0.776SS**  trans-68.2130.8172.9-71.1178.7178.1169.10.1108.2S14 L18S14-R16 PolarHBondContact O-N 3.44Å; R16-L18 PolarHBondContact O-N 3.34Å
17P68.7Low59.8Low90 Ų90133.5 Ų133.558%0.58477%0.772SS**  trans-59.2130.1175.223.6-31.9000109.8F19 V20P17-F19 PolarHBondContact O-N 3.11Å; P17-V20 HydrophobicContact CG-CG2 3.9Å
18L71.6Confident60.4Low171 Ų171135.3 Ų135.390%0.89577%0.768SS**SBendtrans-55.2-11-179.5-97.3157.3000114.4R16R16-L18 PolarHBondContact O-N 3.34Å
19F56.7Low60.7Low169 Ų169134 Ų13474%0.74176%0.757SS**  trans-149.8118.6174.237.3-88.9000109.4P17P17-F19 PolarHBondContact O-N 3.11Å
20V74.8Confident61.3Low117 Ų117135.8 Ų135.871%0.70975%0.753SS**  trans-103.9114.7165.3177.20000106.5P17 D22P17-V20 HydrophobicContact CG-CG2 3.9Å; V20-D22 PolarHBondContact O-N 3.04Å; V20-D22 VanDerWaalsContact O-N 3.16Å
21I70.8Confident61.7Low136 Ų136133.3 Ų133.370%0.69774%0.74SS**  trans-70.8110.4171-61171.8000106.7R23I21-R23 PolarHBondContact O-N 3.37Å; I21-R23 VanDerWaalsContact O-N 3.09Å
22D70.6Confident61.7Low120 Ų120134.1 Ų134.164%0.64274%0.742SS**  trans-65.3111.3177.2-156.2-11.9000109.6V20 K24V20-D22 PolarHBondContact O-N 3.04Å; V20-D22 VanDerWaalsContact O-N 3.16Å; D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact OD1-N 2.78Å
23R74.4Confident61.7Low229 Ų229135.3 Ų135.386%0.86474%0.739SS**  trans-92.64.6179.9-71.7-174.7174.5-178.5-0.4112.4I21I21-R23 PolarHBondContact O-N 3.37Å; I21-R23 VanDerWaalsContact O-N 3.09Å
24K73.8Confident61.6Low170 Ų170137.6 Ų137.674%0.73974%0.742SS**SBendtrans-116.7106.8176.4-66.7-176.9-178.7178.10108.8D22 C26D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact OD1-N 2.78Å; K24-C26 PolarHBondContact O-N 3.39Å
25P67.7Low61.3Low118 Ų118138.1 Ų138.177%0.76674%0.743SS**  trans-63122.117525.9-31.4000109.1T27P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å
26C60.5Low60.5Low92 Ų92133.8 Ų133.862%0.62273%0.731SS**  trans-59.3113.2169.4-77.70000108.8K24 N28 A29K24-C26 PolarHBondContact O-N 3.39Å; C26-N28 PolarHBondContact O-N 2.98Å; C26-A29 HydrophobicContact CB-CB 4.29Å; C26-A29 PolarHBondContact O-N 3.24Å
27T64.1Low59.2Low134 Ų134129 Ų12982%0.82273%0.732SS**THydrogen-bonded Turntrans-64-10.7177.753.90000113.1P25P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å
28N58.2Low58Low139 Ų139132.1 Ų132.174%0.74374%0.737SS**THydrogen-bonded Turntrans-11823.2-178.1-60.5-16.9000113C26 V30C26-N28 PolarHBondContact O-N 2.98Å; N28-V30 PolarHBondContact O-N 2.92Å
29A50.7Low56.6Low80 Ų80133.9 Ų133.966%0.66174%0.737SS**  trans-70.483.6172.200000109.8C26 A31C26-A29 HydrophobicContact CB-CB 4.29Å; C26-A29 PolarHBondContact O-N 3.24Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.28Å
30V51.3Low55.9Low113 Ų113131.9 Ų131.969%0.68574%0.74SS**  trans-57102.7161.3179.10000105.4N28 L33N28-V30 PolarHBondContact O-N 2.92Å; V30-L33 HydrophobicContact CG1-CD1 4.1Å; V30-L33 HydrophobicContact CG1-CG 4.17Å
31A51.2Low54.5Low68 Ų68132.1 Ų132.156%0.56274%0.741SS**  trans-4513716400000106.7A29 L33A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.28Å; A31-L33 PolarHBondContact O-N 3.49Å
32P46.9Very low53.1Low131 Ų131131.5 Ų131.585%0.85175%0.746SS**  trans-58.593.6179.922.1-31.1000108.2L34P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.14Å
33L47.7Very low51.7Low139 Ų139132.8 Ų132.873%0.72875%0.752SS**  trans-63.2116.6172.8-68.5175.5000102.8V30 A31V30-L33 HydrophobicContact CG1-CD1 4.1Å; V30-L33 HydrophobicContact CG1-CG 4.17Å; A31-L33 PolarHBondContact O-N 3.49Å
34L49.6Very low49.9Very low157 Ų157128.3 Ų128.382%0.82275%0.753SS**  trans-41.1129.6160.1-69.2167000106.8P32P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.14Å
35P47.3Very low48.4Very low114 Ų114123.4 Ų123.474%0.7475%0.75SS**  trans-52.9133.1-175.919.9-30.7000108.7S37P35-S37 PolarHBondContact O-N 3.28Å
36P44.4Very low47.1Very low95 Ų95125 Ų12562%0.61775%0.752SS**  trans-57.9140.9178.824.7-32.8000108.7K38P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.33Å
37S42.8Very low46.2Very low127 Ų127130.4 Ų130.489%0.88877%0.765SS**  trans-60.591.2174.747.60000109.6P35P35-S37 PolarHBondContact O-N 3.28Å
38K43.7Very low44.8Very low155 Ų155129.8 Ų129.867%0.67477%0.765SS**  trans-106.6138.1164.8-62-175.8-178.5-177.20105.9P36P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.33Å
39F41.6Very low43.9Very low208 Ų208128.1 Ų128.191%0.91277%0.77SS**  trans90.374.5178.4-46.2-70.3000116.5
40T42.7Very low43.4Very low128 Ų128133 Ų13379%0.78578%0.779SS**  -147.9118.1118.1-153.90000109.1
41T44.6Very low42.7Very low122 Ų122132.9 Ų132.975%0.74878%0.781SS**PPolyproline II helixtrans-68.8133.7167.936.70000108.5L43T41-L43 PolarHBondContact O-N 3.24Å
42P41.8Very low42.1Very low123 Ų123134.6 Ų134.680%0.79980%0.795SS**PPolyproline II helixtrans-62.8130.9175.4-1427.3000109.8
43L40.5Very low41.7Very low147 Ų147136.2 Ų136.277%0.7780%0.796SS**PPolyproline II helixtrans-67.8142.1168.2-72.5169.3000109.1T41 G45T41-L43 PolarHBondContact O-N 3.24Å; L43-G45 PolarHBondContact O-N 3.39Å
44P36.9Very low41.2Very low135 Ų135135.5 Ų135.588%0.87780%0.799SS**THydrogen-bonded Turntrans-67.3107.2176.8-8.823.5000109.1
45G42.7Very low40.4Very low66 Ų66132.2 Ų132.268%0.6880%0.795SS**THydrogen-bonded Turntrans161.7-23.1177.500000116.2L43 K47L43-G45 PolarHBondContact O-N 3.39Å; G45-K47 PolarHBondContact O-N 3.14Å
46D39.1Very low40.2Very low151 Ų151133.2 Ų133.281%0.80780%0.799SS**  trans-86.493.8179.9-74.6-24.5000110.5C48D46-C48 PolarHBondContact O-N 3.44Å
47K42.4Very low39.8Very low207 Ų207138.1 Ų138.190%0.981%0.811SS**  trans-67.9106.2169.7-65.5-178.3179.1-178.60108.8G45 A49G45-K47 PolarHBondContact O-N 3.14Å; K47-A49 PolarHBondContact O-N 2.78Å
48C35.7Very low39.8Very low121 Ų121140.5 Ų140.582%0.81881%0.808SS**  trans-63.1111.6164.2-58.30000108.8D46 E50D46-C48 PolarHBondContact O-N 3.44Å; C48-E50 PolarHBondContact O-N 3.22Å
49A37.7Very low39.3Very low103 Ų103137.8 Ų137.885%0.85182%0.815SS**  trans-83.1108.2163.100000107.5K47K47-A49 PolarHBondContact O-N 2.78Å
50E40Very low39.6Very low183 Ų183136.5 Ų136.586%0.85581%0.811SS**  trans-70.9159.7175.5-102-127.9137.800113C48C48-E50 PolarHBondContact O-N 3.22Å
51P37.9Very low39.4Very low111 Ų111140.5 Ų140.572%0.72182%0.818SS**  trans-93.9152-162.536.9-31.8000113.3
52A38.3Very low38.7Very low104 Ų104138.1 Ų138.186%0.8682%0.817SS**  trans-142.1112.1165.700000111.6
53L38.1Very low38.7Very low165 Ų165139.5 Ų139.586%0.86482%0.818SS**  trans-56.6172.4162.2-72.3170.2000111.2
54P37.5Very low38.5Very low123 Ų123138.6 Ų138.680%0.79982%0.821SS**  cis-149.1174.932.438.1-13.8000119
55A33.3Very low38.6Very low88 Ų88137 Ų13773%0.72781%0.813SS**  trans-52.3138.4177.600000115.6
56T41.8Very low38.4Very low136 Ų136139.5 Ų139.583%0.83482%0.817SS**  trans-106.1123.9155.245.90000109.4
57K36.8Very low38.2Very low197 Ų197136 Ų13686%0.85781%0.805SS**  trans-90.9115.3169.8-64.8174.2179.2175.80106.3
58E41.7Very low38.3Very low178 Ų178132.3 Ų132.383%0.83281%0.805SS**  trans-127.7116.3164.7-69.7-70153.500106.7
59A35.1Very low39Very low98 Ų98131.2 Ų131.281%0.8180%0.799SS**  trans-101.8118.2-176.700000108
60E47.6Very low40Very low181 Ų181130.9 Ų130.985%0.84678%0.781SS**  trans-140.4120.1163.3-69.7-160.2145.600111.2
61K37.7Very low41.8Very low212 Ų212129.6 Ų129.692%0.92277%0.774SS**  trans23.1125.5146.9-69.1168.4174.2173.10117.1
62G31Very low44.2Very low71 Ų71126.7 Ų126.773%0.73276%0.76SS**  cis131.381.425.200000108.5
63D39.9Very low46.7Very low152 Ų152121.9 Ų121.981%0.81372%0.72SS**  trans-140.4128.8162.8-81.2-40.2000107.9S65D63-S65 PolarHBondContact O-N 3.39Å
64P36.8Very low49.3Very low129 Ų129116.5 Ų116.584%0.83869%0.689SS**  trans-75.792.8-179.431-31.3000109.1
65S39.1Very low52Low102 Ų102111.1 Ų111.171%0.71365%0.654SS**  trans-61134.6168.363.10000109.6D63 S67D63-S65 PolarHBondContact O-N 3.39Å; S65-S67 PolarHBondContact O-N 2.93Å
66P38Very low54.8Low117 Ų117108.2 Ų108.276%0.7663%0.628SS**  trans-62.1128.9-17725.7-32.2000109.5S68P66-S68 PolarHBondContact O-N 3.29Å
67S36.1Very low56.9Low79 Ų79103.7 Ų103.755%0.55261%0.609SS**  trans-53.790.2-18043.40000111.8S65 S69 M70S65-S67 PolarHBondContact O-N 2.93Å; S67-S69 PolarHBondContact O-N 3.01Å; S67-M70 PolarHBondContact OG-SD 3.16Å
68S43Very low59.4Low128 Ų12899.4 Ų99.490%0.89559%0.59SS**THydrogen-bonded Turntrans-76.419.9-169.361.10000115.4P66P66-S68 PolarHBondContact O-N 3.29Å
69S52.2Low61.5Low99 Ų9994 Ų9469%0.69257%0.57SS**THydrogen-bonded Turntrans-121.69.5177.968.40000114.3S67 H71S67-S69 PolarHBondContact O-N 3.01Å; S69-H71 PolarHBondContact O-N 3.26Å; S69-H71 VanDerWaalsContact O-N 3.12Å
70M58.9Low63.9Low96 Ų9695.1 Ų95.147%0.47356%0.562SS.*  trans-73.9109.2-179.6-65.2-167.173.100110.9S67 A72 P79 D80S67-M70 PolarHBondContact OG-SD 3.16Å; M70-A72 PolarHBondContact O-N 2.89Å; M70-P79 HydrophobicContact CB-CB 4.44Å; M70-D80 HydrophobicContact CE-CB 4.43Å; M70-D80 WeakPolarHBondContact CE-OD1 3.42Å
71H76.6Confident65.9Low156 Ų15688.2 Ų88.272%0.72253%0.53SS*.PPolyproline II helixtrans-56.4118.8176.3-63.7-67.9000110.5S69S69-H71 PolarHBondContact O-N 3.26Å; S69-H71 VanDerWaalsContact O-N 3.12Å
72A87.8Confident68.5Low50 Ų5085.4 Ų85.441%0.41352%0.518SS..PPolyproline II helixtrans-74141.5173.200000111.6M70 F74 K78M70-A72 PolarHBondContact O-N 2.89Å; A72-F74 PolarHBondContact O-N 3.15Å; A72-K78 CarbonylContact C-O 3.6Å; A72-K78 WeakPolarHBondContact CA-O 3.49Å
73C92.5Very high71.3Confident3 Ų383.4 Ų83.42%0.0249%0.492CS..PPolyproline II helixtrans-60.4130.8175.8178.40000110.8N75 G77 K78 H81 C86C73-N75 PolarHBondContact O-N 3.16Å; C73-N75 PolarHBondContact SG-N 3.21Å; C73-N75 VanDerWaalsContact SG-N 3.41Å; C73-G77 WeakPolarHBondContact O-CA 3.33Å; C73-G77 PolarHBondContact O-N 3.16Å; C73-K78 PolarHBondContact N-O 2.86Å; C73-H81 WeakPolarHBondContact CA-O 3.34Å; C73-H81 WeakPolarHBondContact CB-NE2 3.39Å; C73-H81 WeakPolarHBondContact CB-O 3.39Å; C73-H81 PolarHBondContact SG-NE2 2.92Å; C73-C86 VanDerWaalsContact SG-SG 3.64Å
74F91.7Very high73.7Confident51 Ų5180.8 Ų80.822%0.22449%0.485CS..THydrogen-bonded Turntrans-70.6-16.6179.1-65.2-80.8000113.6A72 V83 V95 N98 R99 H102A72-F74 PolarHBondContact O-N 3.15Å; F74-V83 HydrophobicContact CB-CG2 3.6Å; F74-V83 HydrophobicContact CD2-CG2 4.01Å; F74-V83 HydrophobicContact CG-CG2 4.3Å; F74-V95 HydrophobicContact CB-CB 4.49Å; F74-V95 HydrophobicContact CB-CG1 4.12Å; F74-V95 HydrophobicContact CB-CG2 4.4Å; F74-V95 VanDerWaalsContact O-CA 3.3Å; F74-V95 WeakPolarHBondContact O-CA 3.49Å; F74-V95 PolarHBondContact O-N 2.8Å; F74-N98 HydrophobicContact CB-CB 4.31Å; F74-N98 HydrophobicContact CD1-CB 3.89Å; F74-N98 PolarHBondContact O-ND2 2.92Å; F74-R99 HydrophobicContact CD1-CG 3.79Å; F74-R99 HydrophobicContact CE1-CG 4.06Å; F74-R99 HydrophobicContact CG-CG 4.11Å; F74-H102 HydrophobicContact CE1-CB 3.62Å; F74-H102 AromaticContact CE1-CG 3.9Å; F74-H102 HydrophobicContact CZ-CB 4.23Å; F74-H102 AromaticContact CZ-CG 4Å
75N94Very high76.3Confident10 Ų1079.8 Ų79.85%0.05347%0.473CS..THydrogen-bonded Turntrans-82-61.1178.8-170.541.3000111.4C73 V83 C86 E88 R89 S91 T94 V95C73-N75 PolarHBondContact O-N 3.16Å; C73-N75 PolarHBondContact SG-N 3.21Å; C73-N75 VanDerWaalsContact SG-N 3.41Å; N75-V83 HydrophobicContact CB-CG1 4.39Å; N75-C86 HydrophobicContact CB-CB 4.37Å; N75-C86 PolarHBondContact ND2-SG 3.05Å; N75-C86 VanDerWaalsContact ND2-SG 3.42Å; N75-E88 PolarHBondContact ND2-O 2.78Å; N75-E88 VanDerWaalsContact ND2-O 3.16Å; N75-R89 PolarHBondContact ND2-O 2.93Å; N75-S91 PolarHBondContact OD1-N 3.12Å; N75-T94 PolarHBondContact O-OG1 3.23Å; N75-T94 PolarHBondContact OD1-OG1 3.25Å; N75-V95 HydrophobicContact CB-CG2 3.95Å
76C91.4Very high78.8Confident28 Ų2876 Ų7619%0.18945%0.446CS..THydrogen-bonded Turntrans-99.5-14.7-174.865.20000115K78 H81 C86 E88C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 2.79Å; C76-H81 PolarHBondContact SG-CE1 3.18Å; C76-H81 PolarHBondContact SG-NE2 3.3Å; C76-C86 VanDerWaalsContact SG-SG 3.64Å; C76-E88 HydrophobicContact CB-CB 4.3Å; C76-E88 HydrophobicContact CB-CG 4.15Å; C76-E88 WeakPolarHBondContact CB-OE1 3.34Å; C76-E88 WeakPolarHBondContact CB-OE2 3.46Å
77G86.8Confident81.3Confident41 Ų4175.7 Ų75.742%0.42344%0.444SS..  trans78.6-1-178.500000115.6C73C73-G77 WeakPolarHBondContact O-CA 3.33Å; C73-G77 PolarHBondContact O-N 3.16Å
78K88.4Confident83.8Confident107 Ų10775.8 Ų75.847%0.46544%0.436SS..  trans-72.1142.9175.2-67.4167.3176.7158.20110.6A72 C73 C76 E88A72-K78 CarbonylContact C-O 3.6Å; A72-K78 WeakPolarHBondContact CA-O 3.49Å; C73-K78 PolarHBondContact N-O 2.86Å; C76-K78 VanDerWaalsContact C-N 3.26Å; C76-K78 PolarHBondContact O-N 2.79Å; K78-E88 IonicContact NZ-OE1 2.71Å; K78-E88 PolarHBondContact NZ-OE1 3.33Å
79P86.4Confident86.1Confident65 Ų6581.2 Ų81.242%0.42244%0.436SS..SBendtrans-62.9174.716529-32.2000110.4M70 H81M70-P79 HydrophobicContact CB-CB 4.44Å; P79-H81 PolarHBondContact O-N 3.08Å; P79-H81 PolarHBondContact O-ND1 3.13Å
80D85.9Confident88Confident120 Ų12083.2 Ų83.264%0.64243%0.43SS*.SBendtrans88.6-16.7169.5-41.7-36.2000118.1M70M70-D80 HydrophobicContact CE-CB 4.43Å; M70-D80 WeakPolarHBondContact CE-OD1 3.42Å
81H90.4Very high89.5Confident37 Ų3780.2 Ų80.217%0.17142%0.418CS..  trans-146.3161.7-179.365.2-81.8000115C73 C76 P79 D85 C86 P87C73-H81 WeakPolarHBondContact CA-O 3.34Å; C73-H81 WeakPolarHBondContact CB-NE2 3.39Å; C73-H81 WeakPolarHBondContact CB-O 3.39Å; C73-H81 PolarHBondContact SG-NE2 2.92Å; C76-H81 PolarHBondContact SG-CE1 3.18Å; C76-H81 PolarHBondContact SG-NE2 3.3Å; P79-H81 PolarHBondContact O-N 3.08Å; P79-H81 PolarHBondContact O-ND1 3.13Å; H81-D85 HydrophobicContact CB-CB 4.43Å; H81-C86 VanDerWaalsContact CD2-CA 3.44Å; H81-C86 WeakPolarHBondContact CD2-CA 3.46Å; H81-C86 PolarHBondContact NE2-SG 2.93Å; H81-C86 VanDerWaalsContact NE2-SG 3.39Å; H81-P87 WeakPolarHBondContact NE2-CD 3.22Å
82K90.7Very high90.3Very high152 Ų15275.9 Ų75.966%0.66140%0.404SS*.  trans-90.4166.5174.8-64.6-179.7-176.3-176.90110.3S84 D85 C86K82-S84 PolarHBondContact O-N 2.89Å; K82-S84 VanDerWaalsContact O-N 3.13Å; K82-D85 PolarHBondContact O-N 2.9Å; K82-C86 PolarHBondContact O-N 3.43Å
83V91Very high90.5Very high30 Ų3079.1 Ų79.118%0.18241%0.41CS..G310 helixtrans-57.8-28.6178.5-179.10000112.7F74 N75 D85 Y90 V95F74-V83 HydrophobicContact CB-CG2 3.6Å; F74-V83 HydrophobicContact CD2-CG2 4.01Å; F74-V83 HydrophobicContact CG-CG2 4.3Å; N75-V83 HydrophobicContact CB-CG1 4.39Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-Y90 HydrophobicContact CG1-CD2 3.91Å; V83-Y90 HydrophobicContact CG1-CE2 3.7Å; V83-V95 HydrophobicContact CG1-CG2 4.11Å
84S90.2Very high90.4Very high96 Ų9680.9 Ų80.967%0.67142%0.421SS*.G310 helixtrans-63-38.4175.241.10000113.1K82K82-S84 PolarHBondContact O-N 2.89Å; K82-S84 VanDerWaalsContact O-N 3.13Å
85D90.8Very high90.5Very high109 Ų10978.7 Ų78.758%0.58341%0.412SS*.G310 helixtrans-106.625.6-170.3-44.2-57.8000110.3H81 K82 V83H81-D85 HydrophobicContact CB-CB 4.43Å; K82-D85 PolarHBondContact O-N 2.9Å; V83-D85 VanDerWaalsContact C-N 3.34Å
86C91.8Very high90.4Very high23 Ų2386.3 Ų86.316%0.15544%0.44CS..  trans-79.2124.7-175.3-167.40000110.9C73 N75 C76 H81 K82 E88C73-C86 VanDerWaalsContact SG-SG 3.64Å; N75-C86 HydrophobicContact CB-CB 4.37Å; N75-C86 PolarHBondContact ND2-SG 3.05Å; N75-C86 VanDerWaalsContact ND2-SG 3.42Å; C76-C86 VanDerWaalsContact SG-SG 3.64Å; H81-C86 VanDerWaalsContact CD2-CA 3.44Å; H81-C86 WeakPolarHBondContact CD2-CA 3.46Å; H81-C86 PolarHBondContact NE2-SG 2.93Å; H81-C86 VanDerWaalsContact NE2-SG 3.39Å; K82-C86 PolarHBondContact O-N 3.43Å; C86-E88 PolarHBondContact O-N 3.25Å
87P90.4Very high90.5Very high109 Ų10991.1 Ų91.171%0.70845%0.454SS*.SBendtrans-71-15.4177.629.3-34.9000112.7H81H81-P87 WeakPolarHBondContact NE2-CD 3.22Å
88E89.4Confident90.7Very high82 Ų8291.2 Ų91.238%0.38345%0.445SS..SBendtrans-91.4150.1179.3-68.9176-155.400111.9N75 C76 K78 C86 Y90N75-E88 PolarHBondContact ND2-O 2.78Å; N75-E88 VanDerWaalsContact ND2-O 3.16Å; C76-E88 HydrophobicContact CB-CB 4.3Å; C76-E88 HydrophobicContact CB-CG 4.15Å; C76-E88 WeakPolarHBondContact CB-OE1 3.34Å; C76-E88 WeakPolarHBondContact CB-OE2 3.46Å; K78-E88 IonicContact NZ-OE1 2.71Å; K78-E88 PolarHBondContact NZ-OE1 3.33Å; C86-E88 PolarHBondContact O-N 3.25Å; E88-Y90 PolarHBondContact O-N 3.29Å
89R90.8Very high90.9Very high241 Ų24192.8 Ų92.891%0.90945%0.448SS*.PPolyproline II helixtrans-54.2131.3177.1-171.5176.6-178.1-177.11.4110.3N75 S91N75-R89 PolarHBondContact ND2-O 2.93Å; R89-S91 PolarHBondContact O-N 2.74Å
90Y92.2Very high91Very high142 Ų14294.8 Ų94.856%0.55745%0.454SS*.PPolyproline II helixtrans-63.8118.5-179.6178.6-97.5000111.4V83 E88 P92 V95V83-Y90 HydrophobicContact CG1-CD2 3.91Å; V83-Y90 HydrophobicContact CG1-CE2 3.7Å; E88-Y90 PolarHBondContact O-N 3.29Å; Y90-P92 HydrophobicContact CE1-CB 4.05Å; Y90-V95 HydrophobicContact CD2-CG2 4.46Å; Y90-V95 HydrophobicContact CE2-CG2 3.94Å
91S91.3Very high91.1Very high32 Ų3294.7 Ų94.722%0.22445%0.448CS..  trans-111118.7168.2164.80000110.2N75 R89 E93 T94 V95N75-S91 PolarHBondContact OD1-N 3.12Å; R89-S91 PolarHBondContact O-N 2.74Å; S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.36Å; S91-E93 PolarHBondContact OG-N 3.36Å; S91-E93 PolarHBondContact OG-OE2 2.92Å; S91-T94 WeakPolarHBondContact CB-OG1 3.46Å; S91-T94 PolarHBondContact O-OG1 3.41Å; S91-T94 PolarHBondContact OG-N 3.02Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.05Å
92P91.8Very high90.9Very high66 Ų6696.3 Ų96.343%0.42946%0.455SS..Hα-helixtrans-66.3-29.1177.226-32.1000112.4Y90 R96Y90-P92 HydrophobicContact CE1-CB 4.05Å; P92-R96 VanDerWaalsContact O-CB 3.29Å; P92-R96 WeakPolarHBondContact O-CB 3.37Å; P92-R96 PolarHBondContact O-N 3.04Å
93E92.7Very high90.6Very high117 Ų11792.1 Ų92.155%0.54745%0.445SS..Hα-helixtrans-68.6-44.2179.9-5976.6-160.500112.1S91 R96 R97S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.36Å; S91-E93 PolarHBondContact OG-N 3.36Å; S91-E93 PolarHBondContact OG-OE2 2.92Å; E93-R96 PolarHBondContact O-N 3.24Å; E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NH1 3.41Å
94T91.4Very high90.1Very high41 Ų4192.9 Ų92.925%0.25246%0.455SS..Hα-helixtrans-64.7-46.2177.858.20000110.6N75 S91 R96 R97 N98N75-T94 PolarHBondContact O-OG1 3.23Å; N75-T94 PolarHBondContact OD1-OG1 3.25Å; S91-T94 WeakPolarHBondContact CB-OG1 3.46Å; S91-T94 PolarHBondContact O-OG1 3.41Å; S91-T94 PolarHBondContact OG-N 3.02Å; T94-R96 PolarHBondContact O-N 2.97Å; T94-R97 PolarHBondContact O-N 3.18Å; T94-N98 WeakPolarHBondContact O-CB 3.48Å; T94-N98 PolarHBondContact O-N 3.01Å; T94-N98 PolarHBondContact O-ND2 2.94Å
95V92.4Very high89.5Confident5 Ų595.1 Ų95.13%0.0345%0.452CS..Hα-helixtrans-58.1-47.4176.4173.20000111.1F74 N75 V83 Y90 S91 N98 R99F74-V95 HydrophobicContact CB-CB 4.49Å; F74-V95 HydrophobicContact CB-CG1 4.12Å; F74-V95 HydrophobicContact CB-CG2 4.4Å; F74-V95 VanDerWaalsContact O-CA 3.3Å; F74-V95 WeakPolarHBondContact O-CA 3.49Å; F74-V95 PolarHBondContact O-N 2.8Å; N75-V95 HydrophobicContact CB-CG2 3.95Å; V83-V95 HydrophobicContact CG1-CG2 4.11Å; Y90-V95 HydrophobicContact CD2-CG2 4.46Å; Y90-V95 HydrophobicContact CE2-CG2 3.94Å; S91-V95 WeakPolarHBondContact O-CG2 3.38Å; S91-V95 PolarHBondContact O-N 3.05Å; V95-N98 PolarHBondContact O-N 2.92Å; V95-R99 HydrophobicContact CG1-CG 4.42Å; V95-R99 WeakPolarHBondContact O-CB 3.41Å; V95-R99 VanDerWaalsContact O-CG 3.24Å; V95-R99 WeakPolarHBondContact O-CG 3.5Å; V95-R99 PolarHBondContact O-N 3.28Å
96R92.8Very high88.7Confident170 Ų17093.3 Ų93.364%0.64244%0.441SS*.Hα-helixtrans-60.4-48.3177.4-176.4179.2179.1-170.20.2111.3P92 E93 T94 N98 R99 I100P92-R96 VanDerWaalsContact O-CB 3.29Å; P92-R96 WeakPolarHBondContact O-CB 3.37Å; P92-R96 PolarHBondContact O-N 3.04Å; E93-R96 PolarHBondContact O-N 3.24Å; T94-R96 PolarHBondContact O-N 2.97Å; R96-N98 PolarHBondContact O-N 3.32Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.14Å
97R92.9Very high87.5Confident129 Ų129101.7 Ų101.749%0.48747%0.469SS..Hα-helixtrans-59.8-45.7179.5-173.1-175.5-66.8100-4.1111.6E93 T94 I100 K101E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NH1 3.41Å; T94-R97 PolarHBondContact O-N 3.18Å; R97-I100 PolarHBondContact O-N 3.27Å; R97-K101 WeakPolarHBondContact O-CG 3.42Å; R97-K101 PolarHBondContact O-N 3.39Å
98N91.6Very high86.2Confident43 Ų43101 Ų10123%0.2346%0.458CS..Hα-helixtrans-70.5-34-179.1-70.4-19.1000112.1F74 T94 V95 R96 K101 H102F74-N98 HydrophobicContact CB-CB 4.31Å; F74-N98 HydrophobicContact CD1-CB 3.89Å; F74-N98 PolarHBondContact O-ND2 2.92Å; T94-N98 WeakPolarHBondContact O-CB 3.48Å; T94-N98 PolarHBondContact O-N 3.01Å; T94-N98 PolarHBondContact O-ND2 2.94Å; V95-N98 PolarHBondContact O-N 2.92Å; R96-N98 PolarHBondContact O-N 3.32Å; N98-K101 PolarHBondContact O-N 2.72Å; N98-H102 WeakPolarHBondContact O-CB 3.26Å; N98-H102 PolarHBondContact O-N 3.48Å
99R91.1Very high84.8Confident140 Ų140101.3 Ų101.353%0.52846%0.462SS..Hα-helixtrans-63.4-42.3171.4-76.6176.5-174.7-92.72112.3F74 V95 R96 H102 S103F74-R99 HydrophobicContact CD1-CG 3.79Å; F74-R99 HydrophobicContact CE1-CG 4.06Å; F74-R99 HydrophobicContact CG-CG 4.11Å; V95-R99 HydrophobicContact CG1-CG 4.42Å; V95-R99 WeakPolarHBondContact O-CB 3.41Å; V95-R99 VanDerWaalsContact O-CG 3.24Å; V95-R99 WeakPolarHBondContact O-CG 3.5Å; V95-R99 PolarHBondContact O-N 3.28Å; R96-R99 PolarHBondContact O-N 3.33Å; R99-H102 PolarHBondContact O-N 3.49Å; R99-S103 WeakPolarHBondContact O-CB 3.48Å; R99-S103 PolarHBondContact O-N 2.88Å
100I88.9Confident83.3Confident106 Ų10698.4 Ų98.454%0.54445%0.451SS..Hα-helixtrans-61.4-48175.3-67165.1000110R96 R97 H102 S103 A104R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.14Å; R97-I100 PolarHBondContact O-N 3.27Å; I100-H102 PolarHBondContact O-N 3.45Å; I100-S103 PolarHBondContact O-N 2.97Å; I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3.4Å
101K88.3Confident81.6Confident118 Ų11893.7 Ų93.751%0.51345%0.446SS..Hα-helixtrans-60-45.3177.2-71.9178.3178.3-177.30112.3R97 N98 A104 K105R97-K101 WeakPolarHBondContact O-CG 3.42Å; R97-K101 PolarHBondContact O-N 3.39Å; N98-K101 PolarHBondContact O-N 2.72Å; K101-A104 PolarHBondContact O-N 2.76Å; K101-K105 WeakPolarHBondContact O-CG 3.41Å; K101-K105 PolarHBondContact O-N 2.93Å
102H87Confident79.9Confident71 Ų7199.4 Ų99.433%0.32946%0.462SS..Hα-helixtrans-63.7-43.8177.4180-93.1000111.5F74 N98 R99 I100 A104 K105 Q106F74-H102 HydrophobicContact CE1-CB 3.62Å; F74-H102 AromaticContact CE1-CG 3.9Å; F74-H102 HydrophobicContact CZ-CB 4.23Å; F74-H102 AromaticContact CZ-CG 4Å; N98-H102 WeakPolarHBondContact O-CB 3.26Å; N98-H102 PolarHBondContact O-N 3.48Å; R99-H102 PolarHBondContact O-N 3.49Å; I100-H102 PolarHBondContact O-N 3.45Å; H102-A104 PolarHBondContact O-N 2.95Å; H102-K105 PolarHBondContact O-N 2.89Å; H102-Q106 VanDerWaalsContact CE1-CG 3.46Å; H102-Q106 WeakPolarHBondContact CE1-CG 3.3Å; H102-Q106 PolarHBondContact NE2-NE2 3.42Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.07Å
103S84.2Confident78Confident64 Ų64101.4 Ų101.445%0.44847%0.466SS..Hα-helixtrans-60-44175.3-173.90000111.9R99 I100 Q106 R107R99-S103 WeakPolarHBondContact O-CB 3.48Å; R99-S103 PolarHBondContact O-N 2.88Å; I100-S103 PolarHBondContact O-N 2.97Å; S103-Q106 PolarHBondContact O-N 3.38Å; S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 2.94Å
104A80.5Confident76.2Confident47 Ų47102.7 Ų102.739%0.38847%0.47SS..Hα-helixtrans-61.2-46175.900000112I100 K101 H102 Q106 R107 I108I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3.4Å; K101-A104 PolarHBondContact O-N 2.76Å; H102-A104 PolarHBondContact O-N 2.95Å; A104-Q106 PolarHBondContact O-N 2.9Å; A104-R107 PolarHBondContact O-N 3Å; A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 2.92Å; A104-I108 VanDerWaalsContact O-N 3.08Å
105K77.7Confident74.6Confident142 Ų142106.3 Ų106.362%0.61749%0.487SS*.Hα-helixtrans-60.5-44.2174.8-73.7-177.2178.9-173.10112K101 H102 R107 I108 L109K101-K105 WeakPolarHBondContact O-CG 3.41Å; K101-K105 PolarHBondContact O-N 2.93Å; H102-K105 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 2.89Å; K105-I108 PolarHBondContact O-N 3.2Å; K105-L109 WeakPolarHBondContact O-CB 3.43Å; K105-L109 WeakPolarHBondContact O-CD1 3.34Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.37Å
106Q73.2Confident73Confident72 Ų72111.8 Ų111.834%0.33652%0.516SS..Hα-helixtrans-62.7-38177.7-71.9-67.8-25.100112.3H102 S103 A104 L109 R110H102-Q106 VanDerWaalsContact CE1-CG 3.46Å; H102-Q106 WeakPolarHBondContact CE1-CG 3.3Å; H102-Q106 PolarHBondContact NE2-NE2 3.42Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.07Å; S103-Q106 PolarHBondContact O-N 3.38Å; A104-Q106 PolarHBondContact O-N 2.9Å; Q106-L109 PolarHBondContact O-N 3.28Å; Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.23Å; Q106-R110 PolarHBondContact O-N 2.89Å
107R66.8Low71.8Confident198 Ų198110.2 Ų110.275%0.74752%0.516SS*.Hα-helixtrans-65-41.5174.3-72.1178.574.4118.23112S103 A104 K105 G111S103-R107 WeakPolarHBondContact O-CG 3.38Å; S103-R107 PolarHBondContact O-N 2.94Å; A104-R107 PolarHBondContact O-N 3Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 2.89Å; R107-G111 PolarHBondContact O-N 3.4Å; R107-G111 VanDerWaalsContact O-N 3.08Å
108I63.9Low71.1Confident95 Ų95107 Ų10749%0.48752%0.522SS..Hα-helixtrans-65.5-45.1176.5-65.2166.1000110.3A104 K105 G111 R112A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 2.92Å; A104-I108 VanDerWaalsContact O-N 3.08Å; K105-I108 PolarHBondContact O-N 3.2Å; I108-G111 PolarHBondContact O-N 3.49Å; I108-R112 HydrophobicContact CG2-CG 4.19Å; I108-R112 WeakPolarHBondContact O-CB 3.44Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.72Å
109L59.7Low70.7Confident89 Ų89110.6 Ų110.647%0.46654%0.536SS..Hα-helixtrans-61.2-48.2178.9-77.5158.9000111.7K105 Q106 G111 R112 Q113K105-L109 WeakPolarHBondContact O-CB 3.43Å; K105-L109 WeakPolarHBondContact O-CD1 3.34Å; K105-L109 WeakPolarHBondContact O-CG 3.31Å; K105-L109 PolarHBondContact O-N 3.37Å; Q106-L109 PolarHBondContact O-N 3.28Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.43Å; L109-R112 PolarHBondContact O-N 3.17Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.47Å; L109-Q113 PolarHBondContact O-N 3.38Å
110R59.3Low70.6Confident179 Ų179110.7 Ų110.768%0.67554%0.54SS*.Hα-helixtrans-62.6-34.8176.9-72.3-179.2-179.3-116.30.7112.9Q106Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.23Å; Q106-R110 PolarHBondContact O-N 2.89Å
111G55.8Low70.6Confident43 Ų43108.2 Ų108.244%0.44353%0.531SS..Hα-helixtrans-74-31.9175.200000113.7R107 I108 L109R107-G111 PolarHBondContact O-N 3.4Å; R107-G111 VanDerWaalsContact O-N 3.08Å; I108-G111 PolarHBondContact O-N 3.49Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.43Å
112R54.8Low70.7Confident152 Ų152103.7 Ų103.757%0.57452%0.518SS*.Hα-helixtrans-86.1-23.4-178.3-76.6-173.2179.6-163.8-0.7114.4I108 L109 F114 I115 N116I108-R112 HydrophobicContact CG2-CG 4.19Å; I108-R112 WeakPolarHBondContact O-CB 3.44Å; I108-R112 WeakPolarHBondContact O-CG 3.45Å; I108-R112 PolarHBondContact O-N 2.72Å; L109-R112 PolarHBondContact O-N 3.17Å; R112-F114 PolarHBondContact O-N 2.95Å; R112-I115 PolarHBondContact O-N 2.91Å; R112-N116 VanDerWaalsContact O-CG 3.31Å; R112-N116 PolarHBondContact O-N 3.24Å
113Q53.8Low70.9Confident108 Ų108108.2 Ų108.251%0.50554%0.537SS..Hα-helixtrans-51.8-43.1179.8-83.9168.4-2.700111.6L109 H117L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.47Å; L109-Q113 PolarHBondContact O-N 3.38Å; Q113-H117 PolarHBondContact O-CD2 2.97Å
114F53.9Low71.2Confident144 Ų144107.6 Ų107.663%0.63253%0.528SS*.Hα-helixtrans-72.9-33.9177.5-61.3-76.5000114.1R112 F119R112-F114 PolarHBondContact O-N 2.95Å; F114-F119 WeakPolarHBondContact O-CB 3.29Å; F114-F119 WeakPolarHBondContact O-CD2 3.09Å
115I57.1Low71.8Confident117 Ų117107.9 Ų107.960%0.653%0.527SS*.Hα-helixtrans-73.3-34.1-175.9-57.3173.7000110.9R112 H117 G118R112-I115 PolarHBondContact O-N 2.91Å; I115-H117 VanDerWaalsContact C-N 3.29Å; I115-H117 PolarHBondContact O-N 2.63Å; I115-G118 PolarHBondContact O-N 2.97Å
116N58.9Low72.5Confident120 Ų120106.8 Ų106.864%0.64253%0.528SS*.Hα-helixtrans-72.5-20.3-176.7-68.4-14.7000113.6R112 G118R112-N116 VanDerWaalsContact O-CG 3.31Å; R112-N116 PolarHBondContact O-N 3.24Å; N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 3.09Å
117H67.4Low73.4Confident138 Ų138111 Ų11164%0.63955%0.548SS*.THydrogen-bonded Turntrans-8913.1176.4-62.3-59.3000113.1Q113 I115 F119Q113-H117 PolarHBondContact O-CD2 2.97Å; I115-H117 VanDerWaalsContact C-N 3.29Å; I115-H117 PolarHBondContact O-N 2.63Å; H117-F119 HydrophobicContact CB-CD2 3.55Å; H117-F119 HydrophobicContact CB-CE2 3.36Å; H117-F119 HydrophobicContact CB-CZ 4.31Å; H117-F119 PolarHBondContact O-N 2.66Å
118G78.4Confident74.7Confident60 Ų60105.3 Ų105.362%0.61953%0.532SS*.THydrogen-bonded Turntrans77.73178.500000114.7I115 N116 K120I115-G118 PolarHBondContact O-N 2.97Å; N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 3.09Å; G118-K120 PolarHBondContact O-N 3.46Å
119F84.7Confident76.1Confident119 Ų119102.6 Ų102.652%0.52252%0.515SS..  trans-70.1127175.9-57.7-64.3000110.7F114 H117F114-F119 WeakPolarHBondContact O-CB 3.29Å; F114-F119 WeakPolarHBondContact O-CD2 3.09Å; H117-F119 HydrophobicContact CB-CD2 3.55Å; H117-F119 HydrophobicContact CB-CE2 3.36Å; H117-F119 HydrophobicContact CB-CZ 4.31Å; H117-F119 PolarHBondContact O-N 2.66Å
120K87.1Confident77.8Confident142 Ų142106 Ų10662%0.61753%0.529SS*.  trans-116.8133.8176.3-66.4-176.8-178.4-178.90109.3G118 K123G118-K120 PolarHBondContact O-N 3.46Å; K120-K123 PolarHBondContact O-N 3.33Å
121P89.7Confident79.5Confident54 Ų54101.5 Ų101.535%0.35153%0.53SS..THydrogen-bonded Turntrans-59.7146.4173.830.7-37.4000109.7K123 Y155 V189P121-K123 VanDerWaalsContact C-N 3.26Å; P121-K123 PolarHBondContact O-N 2.9Å; P121-Y155 HydrophobicContact CB-CE1 3.87Å; P121-Y155 HydrophobicContact CB-CE2 4.13Å; P121-Y155 HydrophobicContact CG-CD1 4.45Å; P121-Y155 HydrophobicContact CG-CE1 3.85Å; P121-V189 VanDerWaalsContact C-CG1 3.43Å; P121-V189 HydrophobicContact CB-CG1 3.85Å; P121-V189 HydrophobicContact CB-CG2 4.19Å; P121-V189 HydrophobicContact CG-CB 4.34Å; P121-V189 HydrophobicContact CG-CG1 3.82Å; P121-V189 HydrophobicContact CG-CG2 3.55Å; P121-V189 WeakPolarHBondContact O-CG1 3.39Å
122G90.8Very high81.3Confident24 Ų24103.4 Ų103.425%0.24753%0.529CS..THydrogen-bonded Turntrans83.6-11.7-17500000115.2E190G122-E190 WeakPolarHBondContact CA-O 3.38Å
123K91.2Very high83.1Confident166 Ų16698.9 Ų98.972%0.72253%0.53SS*.  trans-112.4140.8173.1-61.5-166.1177.3-164.60110.7K120 P121K120-K123 PolarHBondContact O-N 3.33Å; P121-K123 VanDerWaalsContact C-N 3.26Å; P121-K123 PolarHBondContact O-N 2.9Å
124I91.3Very high85Confident50 Ų5094.3 Ų94.326%0.25651%0.509SS..  trans-129.3127.2-179.6-54.3172.2000106.1L128 R129 P140 W142I124-L128 HydrophobicContact CG2-CB 4.02Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; I124-R129 HydrophobicContact CB-CG 4.36Å; I124-R129 HydrophobicContact CG2-CG 3.63Å; I124-P140 HydrophobicContact CD1-CB 4.28Å; I124-P140 HydrophobicContact CD1-CG 3.35Å; I124-W142 HydrophobicContact CD1-CH2 4.37Å; I124-W142 HydrophobicContact CD1-CZ2 3.64Å
125S91.8Very high86.8Confident53 Ų5389.4 Ų89.437%0.37150%0.498SS..  trans-72.9155.2175.855.40000111.1E127 L128 R129S125-E127 VanDerWaalsContact C-N 3.3Å; S125-E127 PolarHBondContact O-N 2.99Å; S125-L128 PolarHBondContact O-N 2.92Å; S125-L128 VanDerWaalsContact O-N 3.08Å; S125-L128 VanDerWaalsContact OG-CB 3.3Å; S125-L128 WeakPolarHBondContact OG-CB 3.44Å; S125-L128 PolarHBondContact OG-N 2.91Å; S125-R129 WeakPolarHBondContact O-CG 3.26Å; S125-R129 PolarHBondContact O-N 2.6Å
126D92Very high88.3Confident119 Ų11992.5 Ų92.564%0.63651%0.508SS*.Hα-helixtrans-61.1-39.5178.9-66.9-38000112.3L128 R129 E130D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.96Å; D126-R129 WeakPolarHBondContact O-CB 3.43Å; D126-R129 PolarHBondContact O-N 2.93Å; D126-R129 VanDerWaalsContact O-N 3.1Å; D126-E130 PolarHBondContact O-N 2.8Å
127E93.1Very high89.8Confident160 Ų16095.8 Ų95.875%0.74851%0.511SS*.Hα-helixtrans-56.5-43.1172.5-175.2-175.3-173.100111.9S125 E130 A131S125-E127 VanDerWaalsContact C-N 3.3Å; S125-E127 PolarHBondContact O-N 2.99Å; E127-E130 PolarHBondContact O-N 3.35Å; E127-A131 WeakPolarHBondContact O-CB 3.44Å; E127-A131 PolarHBondContact O-N 2.94Å
128L93.1Very high91.1Very high79 Ų7992 Ų9241%0.41449%0.493SS..Hα-helixtrans-71.4-33.1177.8-177.959.2000111.8I124 S125 D126 I132I124-L128 HydrophobicContact CG2-CB 4.02Å; I124-L128 HydrophobicContact CG2-CD2 3.91Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; S125-L128 PolarHBondContact O-N 2.92Å; S125-L128 VanDerWaalsContact O-N 3.08Å; S125-L128 VanDerWaalsContact OG-CB 3.3Å; S125-L128 WeakPolarHBondContact OG-CB 3.44Å; S125-L128 PolarHBondContact OG-N 2.91Å; D126-L128 VanDerWaalsContact C-N 3.3Å; D126-L128 PolarHBondContact O-N 2.96Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.07Å; L128-I132 HydrophobicContact CG-CD1 3.82Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å; L128-I132 VanDerWaalsContact O-N 3.12Å
129R93.7Very high91.8Very high38 Ų3889.4 Ų89.414%0.14347%0.465CS..Hα-helixtrans-63.3-46173.8-66.8-175.272.189.72.7110.6I124 S125 D126 I132 G133 L134 G135 Q138I124-R129 HydrophobicContact CB-CG 4.36Å; I124-R129 HydrophobicContact CG2-CG 3.63Å; S125-R129 WeakPolarHBondContact O-CG 3.26Å; S125-R129 PolarHBondContact O-N 2.6Å; D126-R129 WeakPolarHBondContact O-CB 3.43Å; D126-R129 PolarHBondContact O-N 2.93Å; D126-R129 VanDerWaalsContact O-N 3.1Å; R129-I132 PolarHBondContact O-N 2.99Å; R129-G133 PolarHBondContact O-N 2.92Å; R129-G133 VanDerWaalsContact O-N 3.09Å; R129-L134 HydrophobicContact CB-CB 4.4Å; R129-L134 VanDerWaalsContact CZ-CD2 3.46Å; R129-L134 PolarHBondContact O-N 2.9Å; R129-G135 PolarHBondContact NH2-O 3.36Å; R129-Q138 PolarHBondContact NH2-O 2.92Å
130E94.8Very high92.3Very high162 Ų16284.1 Ų84.176%0.75744%0.443SS*.Hα-helixtrans-62-46.7176.4-174.3173.7-175.900111.5D126 E127 I132 G133D126-E130 PolarHBondContact O-N 2.8Å; E127-E130 PolarHBondContact O-N 3.35Å; E130-I132 PolarHBondContact O-N 3.49Å; E130-G133 PolarHBondContact O-N 3.34Å
131A95.2Very high92.6Very high84 Ų8479.8 Ų79.869%0.69443%0.429SS*.Hα-helixtrans-60.3-30.9178.800000113.8E127E127-A131 WeakPolarHBondContact O-CB 3.44Å; E127-A131 PolarHBondContact O-N 2.94Å
132I93.7Very high92.8Very high82 Ų8281.6 Ų81.642%0.42143%0.43SS..Hα-helixtrans-89.6-9.1177.3-62170.9000111.6L128 R129 E130 W142L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.07Å; L128-I132 HydrophobicContact CG-CD1 3.82Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å; L128-I132 VanDerWaalsContact O-N 3.12Å; R129-I132 PolarHBondContact O-N 2.99Å; E130-I132 PolarHBondContact O-N 3.49Å; I132-W142 HydrophobicContact CD1-CH2 4.08Å
133G93.6Very high93Very high57 Ų5780.7 Ų80.759%0.58842%0.419SS*.THydrogen-bonded Turntrans74.128.5-175.300000113.6R129 E130R129-G133 PolarHBondContact O-N 2.92Å; R129-G133 VanDerWaalsContact O-N 3.09Å; E130-G133 PolarHBondContact O-N 3.34Å
134L92.9Very high93.2Very high13 Ų1373 Ų737%0.06839%0.385CS..  trans-93.8110.2-178.1-168.473.5000111.1R129 Q138 P140R129-L134 HydrophobicContact CB-CB 4.4Å; R129-L134 VanDerWaalsContact CZ-CD2 3.46Å; R129-L134 PolarHBondContact O-N 2.9Å; L134-Q138 HydrophobicContact CD1-CB 4.05Å; L134-Q138 HydrophobicContact CD1-CG 4.06Å; L134-Q138 HydrophobicContact CG-CB 4.45Å; L134-P140 HydrophobicContact CD2-CB 4.08Å; L134-P140 HydrophobicContact CD2-CG 3.7Å
135G91.6Very high93.4Very high40 Ų4076.4 Ų76.441%0.41240%0.4SS..  trans-61.6148179.400000112.7R129 R137 Q138R129-G135 PolarHBondContact NH2-O 3.36Å; G135-R137 PolarHBondContact O-N 3Å; G135-Q138 WeakPolarHBondContact O-CB 3.44Å; G135-Q138 PolarHBondContact O-N 3.23Å
136K89.5Confident93.5Very high183 Ų18374.8 Ų74.880%0.79639%0.387SS*.THydrogen-bonded Turntrans-52.6-29.4-173.2-65.6178.2-179.2176.20114.9
137R91Very high93.6Very high188 Ų18869.6 Ų69.671%0.70936%0.358SS*.THydrogen-bonded Turntrans-100.514.2-177.9-63.3-176.2-176.3-156.41.7114.4G135 G201 V202 V203G135-R137 PolarHBondContact O-N 3Å; R137-G201 WeakPolarHBondContact CB-O 3.45Å; R137-G201 WeakPolarHBondContact CD-O 3.4Å; R137-V202 WeakPolarHBondContact O-CA 3.44Å; R137-V202 WeakPolarHBondContact O-CG1 3.43Å; R137-V203 PolarHBondContact O-N 3.08Å
138Q93.1Very high93.6Very high58 Ų5870.3 Ų70.327%0.27135%0.354SS..BIsolated β-bridgetrans-110.5139.4-177.2-162.2176.621.700111.8R129 L134 G135 E205R129-Q138 PolarHBondContact NH2-O 2.92Å; L134-Q138 HydrophobicContact CD1-CB 4.05Å; L134-Q138 HydrophobicContact CD1-CG 4.06Å; L134-Q138 HydrophobicContact CG-CB 4.45Å; G135-Q138 WeakPolarHBondContact O-CB 3.44Å; G135-Q138 PolarHBondContact O-N 3.23Å; Q138-E205 PolarHBondContact NE2-OE2 3.22Å
139L93.6Very high93.6Very high6 Ų672 Ų723%0.03137%0.372CS..  trans-76.1141168.7-71.9176.6000110.6I143 Y144 P192 L198 V202L139-I143 HydrophobicContact CD1-CG2 4.34Å; L139-Y144 HydrophobicContact CB-CE2 4.08Å; L139-P192 WeakPolarHBondContact CD2-O 2.98Å; L139-L198 HydrophobicContact CD1-CD2 4.15Å; L139-L198 HydrophobicContact CD1-CG 4.25Å; L139-V202 HydrophobicContact CD1-CG1 4.49Å; L139-V202 HydrophobicContact CD2-CG1 3.85Å; L139-V202 HydrophobicContact CG-CG1 3.6Å
140P94.4Very high93.5Very high8 Ų871.8 Ų71.85%0.05238%0.381CS..  trans-58.3140.8173.3-19.527.2000112.8I124 L134 W142 I143I124-P140 HydrophobicContact CD1-CB 4.28Å; I124-P140 HydrophobicContact CD1-CG 3.35Å; L134-P140 HydrophobicContact CD2-CB 4.08Å; L134-P140 HydrophobicContact CD2-CG 3.7Å; P140-W142 HydrophobicContact CB-CD2 3.57Å; P140-W142 HydrophobicContact CB-CE3 3.89Å; P140-W142 HydrophobicContact CB-CG 4.28Å; P140-W142 HydrophobicContact CB-CH2 3.62Å; P140-W142 HydrophobicContact CB-CZ2 3.28Å; P140-W142 HydrophobicContact CB-CZ3 3.9Å; P140-W142 HydrophobicContact CG-CH2 4.38Å; P140-W142 HydrophobicContact CG-CZ2 3.82Å; P140-W142 PolarHBondContact O-N 3.44Å; P140-I143 HydrophobicContact CB-CG1 4.21Å; P140-I143 HydrophobicContact CG-CG1 4.23Å; P140-I143 WeakPolarHBondContact O-CB 3.38Å; P140-I143 WeakPolarHBondContact O-CG1 3.4Å; P140-I143 PolarHBondContact O-N 2.85Å
141P93.4Very high93.5Very high51 Ų5165 Ų6533%0.33135%0.348SS..Hα-helixtrans-56.5-30.7-175.5-28.935.2000115I143 Y144P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 2.88Å; P141-Y144 PolarHBondContact O-N 3.41Å
142W94.7Very high93.4Very high93 Ų9362.5 Ų62.535%0.35233%0.325SS..Hα-helixtrans-70.2-19179.254.885.9000113.7I124 I132 P140 Y144 Q145 M146I124-W142 HydrophobicContact CD1-CH2 4.37Å; I124-W142 HydrophobicContact CD1-CZ2 3.64Å; I132-W142 HydrophobicContact CD1-CH2 4.08Å; P140-W142 HydrophobicContact CB-CD2 3.57Å; P140-W142 HydrophobicContact CB-CE3 3.89Å; P140-W142 HydrophobicContact CB-CG 4.28Å; P140-W142 HydrophobicContact CB-CH2 3.62Å; P140-W142 HydrophobicContact CB-CZ2 3.28Å; P140-W142 HydrophobicContact CB-CZ3 3.9Å; P140-W142 HydrophobicContact CG-CH2 4.38Å; P140-W142 HydrophobicContact CG-CZ2 3.82Å; P140-W142 PolarHBondContact O-N 3.44Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 2.77Å; W142-Q145 WeakPolarHBondContact O-CB 3.34Å; W142-Q145 PolarHBondContact O-N 3.43Å; W142-M146 WeakPolarHBondContact O-CG 3.19Å; W142-M146 PolarHBondContact O-N 3.35Å
143I95.6Very high93.2Very high5 Ų562.9 Ų62.93%0.02633%0.333CS..Hα-helixtrans-63.1-40.1173.5-61.8-57.5000110.5L139 P140 P141 Q145 M146 R147 Y191 G193 F194L139-I143 HydrophobicContact CD1-CG2 4.34Å; P140-I143 HydrophobicContact CB-CG1 4.21Å; P140-I143 HydrophobicContact CG-CG1 4.23Å; P140-I143 WeakPolarHBondContact O-CB 3.38Å; P140-I143 WeakPolarHBondContact O-CG1 3.4Å; P140-I143 PolarHBondContact O-N 2.85Å; P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 2.88Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 2.97Å; I143-M146 HydrophobicContact CD1-SD 4.1Å; I143-M146 WeakPolarHBondContact O-CB 3.41Å; I143-M146 PolarHBondContact O-N 3.27Å; I143-R147 PolarHBondContact O-N 3.46Å; I143-R147 VanDerWaalsContact O-N 3.11Å; I143-Y191 HydrophobicContact CD1-CD1 4.17Å; I143-Y191 HydrophobicContact CD1-CG 4.5Å; I143-G193 WeakPolarHBondContact CG2-O 3.36Å; I143-F194 HydrophobicContact CG2-CB 4.17Å
144Y95.5Very high92.9Very high3 Ų362.2 Ų62.21%0.01233%0.326CS..Hα-helixtrans-67.8-33.6175.3-57.5-74.3000112.3L139 P141 W142 R147 R148 D204 E205 H209 A211L139-Y144 HydrophobicContact CB-CE2 4.08Å; P141-Y144 PolarHBondContact O-N 3.41Å; W142-Y144 VanDerWaalsContact C-N 3.3Å; W142-Y144 PolarHBondContact O-N 2.77Å; Y144-R147 WeakPolarHBondContact O-CB 3.29Å; Y144-R147 PolarHBondContact O-N 2.92Å; Y144-R148 PolarHBondContact O-N 3.09Å; Y144-D204 WeakPolarHBondContact CE1-OD1 3.42Å; Y144-E205 WeakPolarHBondContact OH-CB 3.2Å; Y144-E205 PolarHBondContact OH-N 3.34Å; Y144-H209 HydrophobicContact CD1-CB 4.09Å; Y144-H209 HydrophobicContact CD2-CB 3.93Å; Y144-H209 AromaticContact CD2-CD2 3.17Å; Y144-H209 WeakPolarHBondContact CD2-CD2 3.23Å; Y144-H209 AromaticContact CD2-CG 3.41Å; Y144-H209 VanDerWaalsContact CD2-CG 3.41Å; Y144-H209 AromaticContact CD2-ND1 3.93Å; Y144-H209 AromaticContact CD2-NE2 3.58Å; Y144-H209 AromaticContact CE2-CD2 3.11Å; Y144-H209 WeakPolarHBondContact CE2-CD2 3.17Å; Y144-H209 AromaticContact CE2-CG 3.87Å; Y144-H209 AromaticContact CE2-NE2 3.32Å; Y144-H209 VanDerWaalsContact CE2-NE2 3.32Å; Y144-H209 WeakPolarHBondContact CE2-NE2 3.12Å; Y144-H209 HydrophobicContact CG-CB 3.61Å; Y144-H209 AromaticContact CG-CD2 3.67Å; Y144-H209 AromaticContact CG-CG 3.64Å; Y144-H209 AromaticContact CZ-CD2 3.56Å; Y144-A211 HydrophobicContact CD1-CB 4.14Å; Y144-A211 HydrophobicContact CG-CB 4.39Å; Y144-A211 WeakPolarHBondContact O-CB 3.47Å
145Q94.8Very high92.7Very high123 Ų12365.7 Ų65.758%0.57534%0.339SS*.Hα-helixtrans-66.8-39.3171.6-61-178.819.500111.4W142 I143 R147 R148 C149W142-Q145 WeakPolarHBondContact O-CB 3.34Å; W142-Q145 PolarHBondContact O-N 3.43Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 2.97Å; Q145-R147 VanDerWaalsContact C-N 3.27Å; Q145-R147 PolarHBondContact O-N 3.02Å; Q145-R148 PolarHBondContact O-N 3.16Å; Q145-C149 WeakPolarHBondContact O-CB 3.35Å; Q145-C149 PolarHBondContact O-N 2.72Å
146M94.9Very high92.4Very high19 Ų1966.6 Ų66.69%0.09433%0.331CS..Hα-helixtrans-61.6-34.3174.6-71.1170.559.500112.2W142 I143 R148 G150 P152 Y191 F194W142-M146 WeakPolarHBondContact O-CG 3.19Å; W142-M146 PolarHBondContact O-N 3.35Å; I143-M146 HydrophobicContact CD1-SD 4.1Å; I143-M146 WeakPolarHBondContact O-CB 3.41Å; I143-M146 PolarHBondContact O-N 3.27Å; M146-R148 PolarHBondContact O-N 2.82Å; M146-G150 CarbonylContact O-C 3.51Å; M146-G150 WeakPolarHBondContact O-CA 3.33Å; M146-G150 PolarHBondContact O-N 3.09Å; M146-P152 HydrophobicContact CE-CG 3.98Å; M146-P152 HydrophobicContact SD-CG 4.33Å; M146-Y191 HydrophobicContact CE-CD1 4.01Å; M146-Y191 HydrophobicContact CE-CD2 3.45Å; M146-Y191 VanDerWaalsContact CE-CD2 3.45Å; M146-Y191 HydrophobicContact CE-CE1 4.4Å; M146-Y191 HydrophobicContact CE-CE2 3.89Å; M146-Y191 HydrophobicContact CE-CG 3.52Å; M146-Y191 HydrophobicContact SD-CD1 4.28Å; M146-Y191 HydrophobicContact SD-CG 4.34Å; M146-F194 VanDerWaalsContact C-CE2 3.46Å; M146-F194 HydrophobicContact CB-CD1 4.15Å; M146-F194 HydrophobicContact CB-CD2 4.04Å; M146-F194 HydrophobicContact CB-CE1 4.24Å; M146-F194 HydrophobicContact CB-CE2 4.2Å; M146-F194 HydrophobicContact CB-CG 4.02Å; M146-F194 HydrophobicContact CB-CZ 4.29Å; M146-F194 HydrophobicContact CE-CB 4.38Å; M146-F194 HydrophobicContact CE-CD1 3.32Å; M146-F194 HydrophobicContact CE-CE1 3.78Å; M146-F194 HydrophobicContact CE-CG 4.01Å; M146-F194 WeakPolarHBondContact O-CE2 3.42Å; M146-F194 WeakPolarHBondContact O-CZ 3.44Å
147R93.6Very high92Very high9 Ų966.3 Ų66.33%0.03433%0.325CS..Hα-helixtrans-61.3-31.1172.1-65.6-176.9-168.417110.4113.2I143 Y144 Q145 G193 F194 D204 P212 F214I143-R147 PolarHBondContact O-N 3.46Å; I143-R147 VanDerWaalsContact O-N 3.11Å; Y144-R147 WeakPolarHBondContact O-CB 3.29Å; Y144-R147 PolarHBondContact O-N 2.92Å; Q145-R147 VanDerWaalsContact C-N 3.27Å; Q145-R147 PolarHBondContact O-N 3.02Å; R147-G193 VanDerWaalsContact CZ-O 3.24Å; R147-G193 PolarHBondContact NE-O 3.48Å; R147-G193 PolarHBondContact NH2-O 2.71Å; R147-F194 HydrophobicContact CG-CD2 3.89Å; R147-F194 HydrophobicContact CG-CE2 4.49Å; R147-D204 IonicContact CZ-OD1 3.68Å; R147-D204 IonicContact CZ-OD2 2.6Å; R147-D204 VanDerWaalsContact NH1-CG 3.29Å; R147-D204 IonicContact NH1-OD1 2.93Å; R147-D204 PolarHBondContact NH1-OD1 2.91Å; R147-D204 IonicContact NH1-OD2 2.8Å; R147-D204 PolarHBondContact NH1-OD2 3.14Å; R147-D204 IonicContact NH2-OD1 3.36Å; R147-D204 PolarHBondContact NH2-OD1 3.45Å; R147-D204 IonicContact NH2-OD2 3.86Å; R147-P212 VanDerWaalsContact CD-O 3.25Å; R147-P212 WeakPolarHBondContact CD-O 3.41Å; R147-P212 PolarHBondContact NH1-O 3.43Å; R147-F214 VanDerWaalsContact NH1-N 3.19Å
148R92.4Very high91.4Very high175 Ų17561.9 Ų61.966%0.6632%0.315SS*.Hα-helixtrans-87.1-44.1178.3-65.3177.862.4-159.4-3113Y144 Q145 M146 A211Y144-R148 PolarHBondContact O-N 3.09Å; Q145-R148 PolarHBondContact O-N 3.16Å; M146-R148 PolarHBondContact O-N 2.82Å; R148-A211 HydrophobicContact CG-CB 4.43Å
149C92.4Very high90.6Very high116 Ų11659.1 Ų59.178%0.78430%0.302SS*.Hα-helixtrans-95.1-14.9-171-59.90000113.5Q145Q145-C149 WeakPolarHBondContact O-CB 3.35Å; Q145-C149 PolarHBondContact O-N 2.72Å
150G93.3Very high89.6Confident32 Ų3260.9 Ų60.933%0.3331%0.311SS..  trans89.7-171.3-175.900000114.3M146M146-G150 CarbonylContact O-C 3.51Å; M146-G150 WeakPolarHBondContact O-CA 3.33Å; M146-G150 PolarHBondContact O-N 3.09Å
151Y93.6Very high88.1Confident20 Ų2062.7 Ų62.78%0.07833%0.327CS..SBendtrans-70.8142.3-176.7-169.4-97.3000111.9K156 V188 V189 Y191 F194 L224Y151-K156 HydrophobicContact CD1-CB 4.08Å; Y151-V188 HydrophobicContact CE2-CG1 4.43Å; Y151-V189 VanDerWaalsContact CE2-O 3.27Å; Y151-V189 WeakPolarHBondContact CE2-O 3.29Å; Y151-V189 VanDerWaalsContact OH-CA 3.31Å; Y151-V189 WeakPolarHBondContact OH-CA 3.49Å; Y151-V189 VanDerWaalsContact OH-CB 3.23Å; Y151-V189 WeakPolarHBondContact OH-CB 3.37Å; Y151-V189 PolarHBondContact OH-N 3.11Å; Y151-V189 PolarHBondContact OH-O 3.26Å; Y151-Y191 AromaticContact CE2-CD2 3.88Å; Y151-Y191 HydrophobicContact CE2-CD2 3.88Å; Y151-Y191 AromaticContact CE2-CE2 3.78Å; Y151-Y191 HydrophobicContact CE2-CE2 3.78Å; Y151-F194 HydrophobicContact CD2-CD1 4.34Å; Y151-F194 AromaticContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CG-CE1 4.41Å; Y151-L224 HydrophobicContact CD1-CD2 4.17Å; Y151-L224 HydrophobicContact CD2-CD2 3.28Å; Y151-L224 HydrophobicContact CE1-CD2 4.47Å; Y151-L224 HydrophobicContact CE2-CD2 3.68Å; Y151-L224 HydrophobicContact CG-CD1 4.13Å; Y151-L224 HydrophobicContact CG-CD2 3.57Å; Y151-L224 HydrophobicContact CG-CG 4.49Å
152P93.4Very high86.4Confident32 Ų3265.7 Ų65.721%0.20833%0.334CS..  trans-58.9127.3-175.2-23.131.4000112.4M146 G154 Y155 K156 Y191M146-P152 HydrophobicContact CE-CG 3.98Å; M146-P152 HydrophobicContact SD-CG 4.33Å; P152-G154 VanDerWaalsContact C-N 3.28Å; P152-G154 PolarHBondContact O-N 2.94Å; P152-Y155 HydrophobicContact CB-CD2 3.81Å; P152-Y155 HydrophobicContact CB-CE2 4.46Å; P152-Y155 HydrophobicContact CG-CD2 4.17Å; P152-Y155 PolarHBondContact O-N 3.27Å; P152-K156 PolarHBondContact O-N 3.31Å; P152-Y191 HydrophobicContact CG-CE2 4.41Å
153P90.2Very high84.3Confident90 Ų9066.8 Ų66.858%0.58435%0.346SS*.Hα-helixtrans-66.8-28.3-170.924.2-33.9000113.1K156 R157P153-K156 WeakPolarHBondContact O-CB 3.49Å; P153-K156 PolarHBondContact O-N 2.95Å; P153-R157 WeakPolarHBondContact O-CB 3.37Å; P153-R157 VanDerWaalsContact O-CG 3.29Å; P153-R157 WeakPolarHBondContact O-CG 3.22Å; P153-R157 PolarHBondContact O-N 3.3Å
154G87.3Confident81.9Confident42 Ų4270.1 Ų70.143%0.43337%0.368SS..Hα-helixtrans-62.9-49.3176.200000112.5P152 R157 I158P152-G154 VanDerWaalsContact C-N 3.28Å; P152-G154 PolarHBondContact O-N 2.94Å; G154-R157 PolarHBondContact O-N 3.27Å; G154-I158 WeakPolarHBondContact O-CG1 3.36Å; G154-I158 PolarHBondContact O-N 3.45Å
155Y88.1Confident79.4Confident87 Ų8779.4 Ų79.434%0.34141%0.408SS..Hα-helixtrans-70.6-33.9176.5-60.7-61000111.9P121 P152 R157 I158 A159 V189 Y191P121-Y155 HydrophobicContact CB-CE1 3.87Å; P121-Y155 HydrophobicContact CB-CE2 4.13Å; P121-Y155 HydrophobicContact CG-CD1 4.45Å; P121-Y155 HydrophobicContact CG-CE1 3.85Å; P152-Y155 HydrophobicContact CB-CD2 3.81Å; P152-Y155 HydrophobicContact CB-CE2 4.46Å; P152-Y155 HydrophobicContact CG-CD2 4.17Å; P152-Y155 PolarHBondContact O-N 3.27Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; Y155-R157 PolarHBondContact O-N 3.26Å; Y155-I158 HydrophobicContact CD1-CD1 4.06Å; Y155-I158 PolarHBondContact O-N 2.91Å; Y155-A159 PolarHBondContact O-N 3.02Å; Y155-A159 VanDerWaalsContact O-N 3.11Å; Y155-V189 HydrophobicContact CD1-CG2 4.02Å; Y155-V189 HydrophobicContact CG-CG2 4.15Å; Y155-Y191 VanDerWaalsContact CD2-OH 3.27Å; Y155-Y191 WeakPolarHBondContact CD2-OH 3.44Å; Y155-Y191 WeakPolarHBondContact CE2-OH 2.93Å
156K86.3Confident77.3Confident59 Ų5980.2 Ų80.226%0.25742%0.416SS..Hα-helixtrans-56.3-48.5170.9-162.9-176.9-175.5-172.50110.6Y151 P152 P153 I158 A159 L160 I228Y151-K156 HydrophobicContact CD1-CB 4.08Å; P152-K156 PolarHBondContact O-N 3.31Å; P153-K156 WeakPolarHBondContact O-CB 3.49Å; P153-K156 PolarHBondContact O-N 2.95Å; K156-I158 PolarHBondContact O-N 2.94Å; K156-A159 PolarHBondContact O-N 3.42Å; K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 2.72Å; K156-I228 HydrophobicContact CG-CD1 4.12Å; K156-I228 HydrophobicContact CG-CG1 4.24Å
157R80.7Confident75.2Confident177 Ų17783.2 Ų83.267%0.66844%0.439SS*.Hα-helixtrans-62.1-42177-74.2174.4-172.4-178.13.1112P153 G154 Y155 A159 L160 A161P153-R157 WeakPolarHBondContact O-CB 3.37Å; P153-R157 VanDerWaalsContact O-CG 3.29Å; P153-R157 WeakPolarHBondContact O-CG 3.22Å; P153-R157 PolarHBondContact O-N 3.3Å; G154-R157 PolarHBondContact O-N 3.27Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; Y155-R157 PolarHBondContact O-N 3.26Å; R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; R157-L160 CarbonylContact O-C 3.49Å; R157-L160 WeakPolarHBondContact O-CA 3.5Å; R157-L160 WeakPolarHBondContact O-CB 3.5Å; R157-L160 PolarHBondContact O-N 3.46Å; R157-A161 WeakPolarHBondContact O-CA 3.49Å; R157-A161 WeakPolarHBondContact O-CB 3.49Å; R157-A161 PolarHBondContact O-N 2.98Å
158I77.6Confident73.3Confident95 Ų9590.9 Ų90.949%0.48747%0.473SS..Hα-helixtrans-59.9-39.8178.6-67.2163.9000111.3G154 Y155 K156 L160 A161 C187G154-I158 WeakPolarHBondContact O-CG1 3.36Å; G154-I158 PolarHBondContact O-N 3.45Å; Y155-I158 HydrophobicContact CD1-CD1 4.06Å; Y155-I158 PolarHBondContact O-N 2.91Å; K156-I158 PolarHBondContact O-N 2.94Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.27Å; I158-A161 PolarHBondContact O-N 3.25Å; I158-C187 HydrophobicContact CG2-CB 4.48Å
159A76.1Confident71.5Confident0 Ų090.2 Ų90.20%047%0.471CS..Hα-helixtrans-67.2-29.9176.200000113.3Y155 K156 R157 F183 D184 C187 V188Y155-A159 PolarHBondContact O-N 3.02Å; Y155-A159 VanDerWaalsContact O-N 3.11Å; K156-A159 PolarHBondContact O-N 3.42Å; R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; A159-F183 HydrophobicContact CB-CD2 4.11Å; A159-F183 HydrophobicContact CB-CE2 3.54Å; A159-F183 HydrophobicContact CB-CZ 4.3Å; A159-F183 WeakPolarHBondContact O-CA 3.36Å; A159-F183 WeakPolarHBondContact O-CD2 3.49Å; A159-D184 PolarHBondContact O-N 3.33Å; A159-C187 HydrophobicContact CB-CB 3.93Å; A159-V188 HydrophobicContact CB-CG2 4.15Å
160L74.2Confident69.8Low43 Ų4391.4 Ų91.423%0.22547%0.47CS..Hα-helixtrans-79.1-34.2172-63.3178.8000112.8K156 R157 I158 K162 F183 I228 L232K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 2.72Å; R157-L160 CarbonylContact O-C 3.49Å; R157-L160 WeakPolarHBondContact O-CA 3.5Å; R157-L160 WeakPolarHBondContact O-CB 3.5Å; R157-L160 PolarHBondContact O-N 3.46Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.27Å; L160-K162 PolarHBondContact O-N 3.49Å; L160-F183 HydrophobicContact CD2-CD2 3.98Å; L160-I228 HydrophobicContact CD2-CG2 3.41Å; L160-I228 VanDerWaalsContact CD2-CG2 3.41Å; L160-I228 HydrophobicContact CG-CG2 4.32Å; L160-L232 HydrophobicContact CD1-CD2 4.46Å; L160-L232 HydrophobicContact CD2-CD1 3.48Å; L160-L232 VanDerWaalsContact CD2-CD1 3.48Å; L160-L232 HydrophobicContact CD2-CD2 3.55Å; L160-L232 HydrophobicContact CD2-CG 3.72Å
161A61.8Low67.9Low46 Ų4696 Ų9638%0.3849%0.486SS..  trans-94.521.3-158.700000114.2R157 I158 I163R157-A161 WeakPolarHBondContact O-CA 3.49Å; R157-A161 WeakPolarHBondContact O-CB 3.49Å; R157-A161 PolarHBondContact O-N 2.98Å; I158-A161 PolarHBondContact O-N 3.25Å; A161-I163 HydrophobicContact CB-CD1 3.67Å; A161-I163 HydrophobicContact CB-CG1 4.16Å; A161-I163 PolarHBondContact O-N 2.99Å
162K57Low66Low114 Ų114100.5 Ų100.550%0.49652%0.516SS..  trans-71.862.8156.1-73.7-170.9178.8-178.80108.4L160 D184L160-K162 PolarHBondContact O-N 3.49Å; K162-D184 HydrophobicContact CD-CB 3.94Å; K162-D184 WeakPolarHBondContact CE-OD2 3.48Å; K162-D184 IonicContact NZ-OD2 2.96Å; K162-D184 PolarHBondContact NZ-OD2 3.28Å
163I51.6Low63.7Low116 Ų116103.8 Ų103.860%0.59555%0.546SS*.  trans-63.4136.8176.6-70.3155.8000106.8A161A161-I163 HydrophobicContact CB-CD1 3.67Å; A161-I163 HydrophobicContact CB-CG1 4.16Å; A161-I163 PolarHBondContact O-N 2.99Å
164P44.3Very low61.5Low75 Ų75103.8 Ų103.849%0.48755%0.548SS..  trans-51.4143.7-164.919.2-34.4000112.6L166P164-L166 PolarHBondContact O-N 3.39Å; P164-L166 VanDerWaalsContact O-N 3.1Å
165K44.5Very low59.4Low198 Ų198109.2 Ų109.286%0.86157%0.573SS**  trans-45.6123.7159.9-73.6177179.1175.10106.2S167K165-S167 PolarHBondContact O-N 3.18Å
166L50.6Low57.1Low139 Ų139109.2 Ų109.273%0.72859%0.586SS**  trans-58.291.6171.3-175.173.8000107.1P164 F168P164-L166 PolarHBondContact O-N 3.39Å; P164-L166 VanDerWaalsContact O-N 3.1Å; L166-F168 HydrophobicContact CD2-CE1 4.04Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.45Å; L166-F168 VanDerWaalsContact CD2-CZ 3.45Å; L166-F168 HydrophobicContact CG-CE2 4.23Å; L166-F168 HydrophobicContact CG-CZ 4.22Å; L166-F168 PolarHBondContact O-N 3.45Å
167S49.5Very low54.8Low82 Ų82111.6 Ų111.657%0.57361%0.61SS**  trans-76.1108170.354.20000105.8K165 Y169K165-S167 PolarHBondContact O-N 3.18Å; S167-Y169 PolarHBondContact O-N 2.95Å
168F54.8Low53Low171 Ų171107.1 Ų107.175%0.7560%0.602SS**  trans-63.4117.9161.4-65-85.6000106L166 D170L166-F168 HydrophobicContact CD2-CE1 4.04Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.45Å; L166-F168 VanDerWaalsContact CD2-CZ 3.45Å; L166-F168 HydrophobicContact CG-CE2 4.23Å; L166-F168 HydrophobicContact CG-CZ 4.22Å; L166-F168 PolarHBondContact O-N 3.45Å; F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.08Å
169Y53.9Low51.4Low161 Ų161109.5 Ų109.563%0.63161%0.611SS**  trans-67.6103167.8-86.7-88.9000106.7S167S167-Y169 PolarHBondContact O-N 2.95Å
170D57.9Low50.1Low140 Ų140117.5 Ų117.575%0.74964%0.642SS**  trans-70.6134.2154.7-96.1-27.3000107.3F168 V172F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.08Å; D170-V172 HydrophobicContact CB-CG2 4.49Å; D170-V172 PolarHBondContact O-N 2.96Å
171D53.1Low49.3Very low128 Ų128120.9 Ų120.968%0.68466%0.657SS**SBendtrans-70.740.7-172-86.7-38.1000113.9K315D171-K315 IonicContact OD1-NZ 2.78Å; D171-K315 PolarHBondContact OD1-NZ 2.85Å; D171-K315 IonicContact OD2-NZ 3.5Å
172V52.6Low49.3Very low115 Ų115125.4 Ų125.470%0.69767%0.668SS**SBendtrans-135.397.4176-70.20000110.8D170 S174D170-V172 HydrophobicContact CB-CG2 4.49Å; D170-V172 PolarHBondContact O-N 2.96Å; V172-S174 PolarHBondContact O-N 3.37Å
173A46.1Very low50Low101 Ų101121.2 Ų121.284%0.83565%0.65SS**  trans39.978.9149.100000116.8
174S44.5Very low51.3Low90 Ų90117.5 Ų117.563%0.62963%0.631SS**  trans-157.197.3154.3-78.50000110.2V172 S176V172-S174 PolarHBondContact O-N 3.37Å; S174-S176 PolarHBondContact O-N 3.23Å
175T41.9Very low53.1Low156 Ų156118.2 Ų118.296%0.95763%0.628SS**  trans-70.661.9168.7-40.80000109.6
176S39.4Very low55.1Low88 Ų88113.1 Ų113.162%0.61562%0.618SS**  trans-98.694.8171.449.40000108.8S174 V178S174-S176 PolarHBondContact O-N 3.23Å; S176-V178 PolarHBondContact O-N 3.23Å
177S39.3Very low56.7Low108 Ų108107.8 Ų107.876%0.75559%0.592SS**  trans11.6106.4153.2-45.20000115.4E179S177-E179 PolarHBondContact O-N 2.98Å
178V42.8Very low58.6Low84 Ų84104.1 Ų104.151%0.50957%0.566SS.*  trans-49.8104.4164.6-125.60000107.8S176 Y180S176-V178 PolarHBondContact O-N 3.23Å; V178-Y180 VanDerWaalsContact C-N 3.35Å; V178-Y180 WeakPolarHBondContact O-CD2 3.45Å; V178-Y180 VanDerWaalsContact O-CE2 3.29Å; V178-Y180 WeakPolarHBondContact O-CE2 3.46Å; V178-Y180 PolarHBondContact O-N 2.97Å
179E43.2Very low60.4Low145 Ų14597 Ų9768%0.67854%0.536SS*.  trans-70.295.2179.6-126.7-173167.700107.1S177 E181S177-E179 PolarHBondContact O-N 2.98Å; E179-E181 PolarHBondContact O-N 3.04Å
180Y48.9Very low62.3Low167 Ų16794.1 Ų94.166%0.65553%0.529SS*.  trans-59130.9177.8-61.2-87000109.9V178 K182V178-Y180 VanDerWaalsContact C-N 3.35Å; V178-Y180 WeakPolarHBondContact O-CD2 3.45Å; V178-Y180 VanDerWaalsContact O-CE2 3.29Å; V178-Y180 WeakPolarHBondContact O-CE2 3.46Å; V178-Y180 PolarHBondContact O-N 2.97Å; Y180-K182 PolarHBondContact O-N 3.46Å
181E56.7Low64.1Low114 Ų11488.4 Ų88.453%0.53350%0.496SS..  trans16.575.3158.2-63.3177.9167.600115.2E179 F183E179-E181 PolarHBondContact O-N 3.04Å; E181-F183 PolarHBondContact O-N 3.33Å
182K62.1Low66Low142 Ų14284.4 Ų84.462%0.61748%0.477SS*.  trans-69.1102.6177.8-167.6168.3-171.6165.50109Y180 D184Y180-K182 PolarHBondContact O-N 3.46Å; K182-D184 PolarHBondContact O-N 3.42Å; K182-D184 VanDerWaalsContact O-N 3.17Å
183F71.8Confident67.9Low25 Ų2578.9 Ų78.911%0.1144%0.444CS..  trans-61.1116.2169.2177.2-103.5000109.2A159 L160 E181 E185 V188 I225 I228 K229 L232A159-F183 HydrophobicContact CB-CD2 4.11Å; A159-F183 HydrophobicContact CB-CE2 3.54Å; A159-F183 HydrophobicContact CB-CZ 4.3Å; A159-F183 WeakPolarHBondContact O-CA 3.36Å; A159-F183 WeakPolarHBondContact O-CD2 3.49Å; L160-F183 HydrophobicContact CD2-CD2 3.98Å; E181-F183 PolarHBondContact O-N 3.33Å; F183-E185 HydrophobicContact CD1-CG 3.92Å; F183-E185 HydrophobicContact CE1-CB 4.27Å; F183-E185 HydrophobicContact CE1-CG 3.81Å; F183-V188 HydrophobicContact CE1-CG2 4.3Å; F183-V188 HydrophobicContact CE2-CG2 4.2Å; F183-V188 HydrophobicContact CZ-CG2 3.5Å; F183-I225 HydrophobicContact CD1-CG2 4.45Å; F183-I225 HydrophobicContact CE1-CB 4.23Å; F183-I225 HydrophobicContact CE1-CG1 3.96Å; F183-I225 HydrophobicContact CE1-CG2 3.66Å; F183-I225 HydrophobicContact CZ-CG1 4.06Å; F183-I225 HydrophobicContact CZ-CG2 4.37Å; F183-I228 HydrophobicContact CD2-CG2 3.83Å; F183-I228 HydrophobicContact CE2-CB 4.18Å; F183-I228 HydrophobicContact CE2-CD1 3.97Å; F183-I228 HydrophobicContact CE2-CG2 3.53Å; F183-I228 HydrophobicContact CZ-CB 4.41Å; F183-I228 HydrophobicContact CZ-CD1 4.05Å; F183-I228 HydrophobicContact CZ-CG2 4.21Å; F183-K229 HydrophobicContact CD1-CG 4.4Å; F183-L232 HydrophobicContact CB-CD1 4.3Å
184D79Confident70.3Confident38 Ų3874.5 Ų74.520%0.20341%0.406CS..  trans-95.4107.1176.6-173.5-2.5000110.1A159 K162 K182 S186 C187A159-D184 PolarHBondContact O-N 3.33Å; K162-D184 HydrophobicContact CD-CB 3.94Å; K162-D184 WeakPolarHBondContact CE-OD2 3.48Å; K162-D184 IonicContact NZ-OD2 2.96Å; K162-D184 PolarHBondContact NZ-OD2 3.28Å; K182-D184 PolarHBondContact O-N 3.42Å; K182-D184 VanDerWaalsContact O-N 3.17Å; D184-S186 PolarHBondContact O-N 3.46Å; D184-S186 VanDerWaalsContact OD1-CB 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 3.46Å; D184-S186 PolarHBondContact OD1-OG 3.49Å; D184-S186 PolarHBondContact OD2-OG 2.9Å; D184-C187 HydrophobicContact CB-CB 4.42Å; D184-C187 WeakPolarHBondContact O-CB 3.38Å; D184-C187 PolarHBondContact O-N 3.5Å; D184-C187 PolarHBondContact OD2-SG 3.3Å
185E83.6Confident72.6Confident91 Ų9170.4 Ų70.443%0.42538%0.377SS..G310 helixtrans-60.4-27.8179.9-48.5-164.517000112.3F183 C187 V188 I225 K229F183-E185 HydrophobicContact CD1-CG 3.92Å; F183-E185 HydrophobicContact CE1-CB 4.27Å; F183-E185 HydrophobicContact CE1-CG 3.81Å; E185-C187 PolarHBondContact O-N 3.45Å; E185-V188 WeakPolarHBondContact O-CB 3.24Å; E185-V188 PolarHBondContact O-N 3.5Å; E185-I225 HydrophobicContact CB-CD1 4.21Å; E185-K229 WeakPolarHBondContact OE1-CE 3.21Å; E185-K229 IonicContact OE1-NZ 3.91Å; E185-K229 PolarHBondContact OE1-NZ 3.47Å
186S84.5Confident75.1Confident91 Ų9163.3 Ų63.364%0.63634%0.335SS*.G310 helixtrans-69.3-21.4178.673.80000112.7D184 V188D184-S186 PolarHBondContact O-N 3.46Å; D184-S186 VanDerWaalsContact OD1-CB 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.35Å; D184-S186 PolarHBondContact OD1-N 3.46Å; D184-S186 PolarHBondContact OD1-OG 3.49Å; D184-S186 PolarHBondContact OD2-OG 2.9Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.18Å
187C84.5Confident77.7Confident27 Ų2763.3 Ų63.318%0.18233%0.332CS..G310 helixtrans-79.8-9.1177.3-67.10000112.9I158 A159 D184 E185 V189I158-C187 HydrophobicContact CG2-CB 4.48Å; A159-C187 HydrophobicContact CB-CB 3.93Å; D184-C187 HydrophobicContact CB-CB 4.42Å; D184-C187 WeakPolarHBondContact O-CB 3.38Å; D184-C187 PolarHBondContact O-N 3.5Å; D184-C187 PolarHBondContact OD2-SG 3.3Å; E185-C187 PolarHBondContact O-N 3.45Å; C187-V189 PolarHBondContact O-N 2.7Å; C187-V189 VanDerWaalsContact O-N 3.16Å
188V90Very high80.2Confident4 Ų460.3 Ų60.32%0.02431%0.308CS..  trans-76.3102.9174.7-1760000109.5Y151 A159 F183 E185 S186 K221 L224 I225Y151-V188 HydrophobicContact CE2-CG1 4.43Å; A159-V188 HydrophobicContact CB-CG2 4.15Å; F183-V188 HydrophobicContact CE1-CG2 4.3Å; F183-V188 HydrophobicContact CE2-CG2 4.2Å; F183-V188 HydrophobicContact CZ-CG2 3.5Å; E185-V188 WeakPolarHBondContact O-CB 3.24Å; E185-V188 PolarHBondContact O-N 3.5Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.18Å; V188-K221 HydrophobicContact CG1-CG 4.1Å; V188-L224 HydrophobicContact CG1-CD2 3.8Å; V188-I225 HydrophobicContact CG2-CG1 4.09Å
189V92.3Very high82.5Confident22 Ų2259.1 Ų59.113%0.13330%0.302CS..  trans-63.2135.2174.1-173.90000111.1P121 Y151 Y155 C187 Y191 N195P121-V189 VanDerWaalsContact C-CG1 3.43Å; P121-V189 HydrophobicContact CB-CG1 3.85Å; P121-V189 HydrophobicContact CB-CG2 4.19Å; P121-V189 HydrophobicContact CG-CB 4.34Å; P121-V189 HydrophobicContact CG-CG1 3.82Å; P121-V189 HydrophobicContact CG-CG2 3.55Å; P121-V189 WeakPolarHBondContact O-CG1 3.39Å; Y151-V189 VanDerWaalsContact CE2-O 3.27Å; Y151-V189 WeakPolarHBondContact CE2-O 3.29Å; Y151-V189 VanDerWaalsContact OH-CA 3.31Å; Y151-V189 WeakPolarHBondContact OH-CA 3.49Å; Y151-V189 VanDerWaalsContact OH-CB 3.23Å; Y151-V189 WeakPolarHBondContact OH-CB 3.37Å; Y151-V189 PolarHBondContact OH-N 3.11Å; Y151-V189 PolarHBondContact OH-O 3.26Å; Y155-V189 HydrophobicContact CD1-CG2 4.02Å; Y155-V189 HydrophobicContact CG-CG2 4.15Å; C187-V189 PolarHBondContact O-N 2.7Å; C187-V189 VanDerWaalsContact O-N 3.16Å; V189-Y191 HydrophobicContact CB-CE2 3.83Å; V189-Y191 HydrophobicContact CG1-CD2 4.29Å; V189-Y191 HydrophobicContact CG1-CE1 4.44Å; V189-Y191 HydrophobicContact CG1-CE2 3.68Å; V189-N195 PolarHBondContact O-ND2 2.74Å
190E93.9Very high84.8Confident101 Ų10161.7 Ų61.747%0.47231%0.314SS..  trans-91.4136.6174.5-74.4170.6-16100111.5G122 A196 K221G122-E190 WeakPolarHBondContact CA-O 3.38Å; E190-A196 HydrophobicContact CB-CB 4.05Å; E190-A196 HydrophobicContact CG-CB 4.41Å; E190-K221 HydrophobicContact CG-CD 3.92Å; E190-K221 VanDerWaalsContact OE1-CD 3.3Å; E190-K221 WeakPolarHBondContact OE1-CD 3.44Å; E190-K221 WeakPolarHBondContact OE1-CE 3.34Å; E190-K221 IonicContact OE1-NZ 2.94Å; E190-K221 PolarHBondContact OE1-NZ 3.16Å
191Y95Very high86.7Confident19 Ų1956 Ų568%0.07531%0.306CS..  trans-128.3108.3178.6-67.4-84.4000107.9I143 M146 Y151 P152 Y155 V189 G193 F194 N195 A196I143-Y191 HydrophobicContact CD1-CD1 4.17Å; I143-Y191 HydrophobicContact CD1-CG 4.5Å; M146-Y191 HydrophobicContact CE-CD1 4.01Å; M146-Y191 HydrophobicContact CE-CD2 3.45Å; M146-Y191 VanDerWaalsContact CE-CD2 3.45Å; M146-Y191 HydrophobicContact CE-CE1 4.4Å; M146-Y191 HydrophobicContact CE-CE2 3.89Å; M146-Y191 HydrophobicContact CE-CG 3.52Å; M146-Y191 HydrophobicContact SD-CD1 4.28Å; M146-Y191 HydrophobicContact SD-CG 4.34Å; Y151-Y191 AromaticContact CE2-CD2 3.88Å; Y151-Y191 HydrophobicContact CE2-CD2 3.88Å; Y151-Y191 AromaticContact CE2-CE2 3.78Å; Y151-Y191 HydrophobicContact CE2-CE2 3.78Å; P152-Y191 HydrophobicContact CG-CE2 4.41Å; Y155-Y191 VanDerWaalsContact CD2-OH 3.27Å; Y155-Y191 WeakPolarHBondContact CD2-OH 3.44Å; Y155-Y191 WeakPolarHBondContact CE2-OH 2.93Å; V189-Y191 HydrophobicContact CB-CE2 3.83Å; V189-Y191 HydrophobicContact CG1-CD2 4.29Å; V189-Y191 HydrophobicContact CG1-CE1 4.44Å; V189-Y191 HydrophobicContact CG1-CE2 3.68Å; Y191-G193 PolarHBondContact O-N 3.29Å; Y191-F194 PolarHBondContact O-N 3.35Å; Y191-N195 WeakPolarHBondContact CA-OD1 3.35Å; Y191-N195 WeakPolarHBondContact CB-OD1 3.3Å; Y191-N195 PolarHBondContact N-OD1 3.1Å; Y191-N195 PolarHBondContact O-N 3.07Å; Y191-N195 PolarHBondContact O-OD1 3.05Å; Y191-A196 PolarHBondContact O-N 3.5Å
192P93.8Very high88.4Confident44 Ų4451.8 Ų51.829%0.28629%0.288SS..BIsolated β-bridgetrans-57132.1178.9-23.933.1000111.5L139 F194 P199L139-P192 WeakPolarHBondContact CD2-O 2.98Å; P192-F194 VanDerWaalsContact C-N 3.31Å; P192-P199 HydrophobicContact CB-CG 3.67Å; P192-P199 HydrophobicContact CG-CG 4.35Å
193G92.8Very high89.7Confident0 Ų049.5 Ų49.50%029%0.286CS..THydrogen-bonded Turntrans79.27-174.800000115.3I143 R147 Y191 A196 F214I143-G193 WeakPolarHBondContact CG2-O 3.36Å; R147-G193 VanDerWaalsContact CZ-O 3.24Å; R147-G193 PolarHBondContact NE-O 3.48Å; R147-G193 PolarHBondContact NH2-O 2.71Å; Y191-G193 PolarHBondContact O-N 3.29Å; G193-A196 PolarHBondContact N-O 3.34Å; G193-F214 WeakPolarHBondContact O-CD2 3.5Å
194F95.2Very high90.8Very high9 Ų950.1 Ų50.14%0.03929%0.29CS..THydrogen-bonded Turntrans-124.4-76.2167.5179.2-121.1000111.6I143 M146 R147 Y151 Y191 P192 H219I143-F194 HydrophobicContact CG2-CB 4.17Å; M146-F194 VanDerWaalsContact C-CE2 3.46Å; M146-F194 HydrophobicContact CB-CD1 4.15Å; M146-F194 HydrophobicContact CB-CD2 4.04Å; M146-F194 HydrophobicContact CB-CE1 4.24Å; M146-F194 HydrophobicContact CB-CE2 4.2Å; M146-F194 HydrophobicContact CB-CG 4.02Å; M146-F194 HydrophobicContact CB-CZ 4.29Å; M146-F194 HydrophobicContact CE-CB 4.38Å; M146-F194 HydrophobicContact CE-CD1 3.32Å; M146-F194 HydrophobicContact CE-CE1 3.78Å; M146-F194 HydrophobicContact CE-CG 4.01Å; M146-F194 WeakPolarHBondContact O-CE2 3.42Å; M146-F194 WeakPolarHBondContact O-CZ 3.44Å; R147-F194 HydrophobicContact CG-CD2 3.89Å; R147-F194 HydrophobicContact CG-CE2 4.49Å; Y151-F194 HydrophobicContact CD2-CD1 4.34Å; Y151-F194 AromaticContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CD2-CE1 3.82Å; Y151-F194 HydrophobicContact CG-CE1 4.41Å; Y191-F194 PolarHBondContact O-N 3.35Å; P192-F194 VanDerWaalsContact C-N 3.31Å; F194-H219 HydrophobicContact CD2-CB 4.34Å; F194-H219 HydrophobicContact CE2-CB 4.32Å; F194-H219 CarbonylContact O-C 3.56Å; F194-H219 WeakPolarHBondContact O-CB 3.32Å
195N94.5Very high91.4Very high3 Ų351.3 Ų51.32%0.01630%0.295CS..THydrogen-bonded Turntrans-106.5-3.5178.767.1-25.8000113.9V189 Y191 H219 K221V189-N195 PolarHBondContact O-ND2 2.74Å; Y191-N195 WeakPolarHBondContact CA-OD1 3.35Å; Y191-N195 WeakPolarHBondContact CB-OD1 3.3Å; Y191-N195 PolarHBondContact N-OD1 3.1Å; Y191-N195 PolarHBondContact O-N 3.07Å; Y191-N195 PolarHBondContact O-OD1 3.05Å; N195-H219 WeakPolarHBondContact CA-O 3.47Å; N195-H219 VanDerWaalsContact CB-O 3.23Å; N195-H219 WeakPolarHBondContact CB-O 3.45Å; N195-K221 PolarHBondContact O-N 3.32Å
196A94.1Very high91.9Very high8 Ų850 Ų507%0.06629%0.286CS..BIsolated β-bridgetrans-120155.6170.600000110E190 Y191 G193 F214E190-A196 HydrophobicContact CB-CB 4.05Å; E190-A196 HydrophobicContact CG-CB 4.41Å; Y191-A196 PolarHBondContact O-N 3.5Å; G193-A196 PolarHBondContact N-O 3.34Å; A196-F214 WeakPolarHBondContact O-CE2 3.15Å; A196-F214 WeakPolarHBondContact O-CZ 3.44Å
197P93.5Very high92.4Very high87 Ų8755.1 Ų55.157%0.56529%0.291SS*.PPolyproline II helixtrans-56.1156.5176.624.9-34.9000111.8
198L92.6Very high92.8Very high46 Ų4660.1 Ų60.124%0.24132%0.316CS..PPolyproline II helixtrans-65.5139.3172.7-85.878.5000109.4L139 D204 F214L139-L198 HydrophobicContact CD1-CD2 4.15Å; L139-L198 HydrophobicContact CD1-CG 4.25Å; L198-D204 HydrophobicContact CD2-CB 3.75Å; L198-F214 HydrophobicContact CD1-CB 3.87Å; L198-F214 HydrophobicContact CD1-CD1 3.17Å; L198-F214 HydrophobicContact CD1-CD2 3.79Å; L198-F214 HydrophobicContact CD1-CE1 3.52Å; L198-F214 HydrophobicContact CD1-CE2 4.1Å; L198-F214 HydrophobicContact CD1-CG 3.31Å; L198-F214 HydrophobicContact CD1-CZ 3.97Å
199P91Very high93Very high59 Ų5962.5 Ų62.538%0.38333%0.327SS..PPolyproline II helixtrans-63.2153.2171.5-16.231.1000110.8P192 G201 V202P192-P199 HydrophobicContact CB-CG 3.67Å; P192-P199 HydrophobicContact CG-CG 4.35Å; P199-G201 PolarHBondContact O-N 3.2Å; P199-V202 HydrophobicContact CB-CG2 3.83Å; P199-V202 HydrophobicContact CG-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CB 3.39Å; P199-V202 PolarHBondContact O-N 3.17Å
200E90.2Very high93Very high199 Ų19972 Ų7293%0.9336%0.36SS*.THydrogen-bonded Turntrans-58.1133.7179.3-66.2177.5-17100111.5V202E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 2.98Å
201G89.4Confident93Very high48 Ų4867.7 Ų67.750%0.49534%0.341SS..THydrogen-bonded Turntrans77.11.7178.800000115.8R137 P199R137-G201 WeakPolarHBondContact CB-O 3.45Å; R137-G201 WeakPolarHBondContact CD-O 3.4Å; P199-G201 PolarHBondContact O-N 3.2Å
202V92.8Very high92.9Very high24 Ų2469.3 Ų69.315%0.14535%0.354CS..  trans-87.5129.5175.7176.60000110.7R137 L139 P199 E200R137-V202 WeakPolarHBondContact O-CA 3.44Å; R137-V202 WeakPolarHBondContact O-CG1 3.43Å; L139-V202 HydrophobicContact CD1-CG1 4.49Å; L139-V202 HydrophobicContact CD2-CG1 3.85Å; L139-V202 HydrophobicContact CG-CG1 3.6Å; P199-V202 HydrophobicContact CB-CG2 3.83Å; P199-V202 HydrophobicContact CG-CG2 4.07Å; P199-V202 WeakPolarHBondContact O-CB 3.39Å; P199-V202 PolarHBondContact O-N 3.17Å; E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 2.98Å
203V90.1Very high92.8Very high95 Ų9570.7 Ų70.758%0.57636%0.364SS*.BIsolated β-bridgetrans-90.3135.2179.3-177.50000110.4R137 E205R137-V203 PolarHBondContact O-N 3.08Å; V203-E205 PolarHBondContact O-N 3.44Å
204D93Very high92.8Very high38 Ų3873.3 Ų73.320%0.20338%0.375CS..  trans-83.999.3175.8-166.824000111.3Y144 R147 L198 Y206 F214Y144-D204 WeakPolarHBondContact CE1-OD1 3.42Å; R147-D204 IonicContact CZ-OD1 3.68Å; R147-D204 IonicContact CZ-OD2 2.6Å; R147-D204 VanDerWaalsContact NH1-CG 3.29Å; R147-D204 IonicContact NH1-OD1 2.93Å; R147-D204 PolarHBondContact NH1-OD1 2.91Å; R147-D204 IonicContact NH1-OD2 2.8Å; R147-D204 PolarHBondContact NH1-OD2 3.14Å; R147-D204 IonicContact NH2-OD1 3.36Å; R147-D204 PolarHBondContact NH2-OD1 3.45Å; R147-D204 IonicContact NH2-OD2 3.86Å; L198-D204 HydrophobicContact CD2-CB 3.75Å; D204-Y206 HydrophobicContact CB-CD1 4.43Å; D204-Y206 PolarHBondContact O-N 3.43Å; D204-Y206 VanDerWaalsContact O-N 3.15Å; D204-Y206 WeakPolarHBondContact OD2-CD1 3.27Å; D204-F214 WeakPolarHBondContact OD2-CB 3.11Å; D204-F214 PolarHBondContact OD2-N 3.34Å
205E93.3Very high92.7Very high63 Ų6374.5 Ų74.529%0.29438%0.384SS..  trans-8733.8-177.9-59.2175.6162.700112.3Q138 Y144 V203 R207 L208 H209Q138-E205 PolarHBondContact NE2-OE2 3.22Å; Y144-E205 WeakPolarHBondContact OH-CB 3.2Å; Y144-E205 PolarHBondContact OH-N 3.34Å; V203-E205 PolarHBondContact O-N 3.44Å; E205-R207 PolarHBondContact O-N 3.35Å; E205-R207 VanDerWaalsContact O-N 3.08Å; E205-L208 HydrophobicContact CB-CB 4.38Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.08Å; E205-H209 PolarHBondContact O-CD2 2.98Å; E205-H209 PolarHBondContact O-N 2.68Å
206Y94.1Very high92.5Very high63 Ų6378.6 Ų78.625%0.24741%0.406CS..THydrogen-bonded Turntrans-56.5-32.8-172.472.1-90.5000113.7D204 H209 R210 A211 P213D204-Y206 HydrophobicContact CB-CD1 4.43Å; D204-Y206 PolarHBondContact O-N 3.43Å; D204-Y206 VanDerWaalsContact O-N 3.15Å; D204-Y206 WeakPolarHBondContact OD2-CD1 3.27Å; Y206-H209 PolarHBondContact O-N 2.94Å; Y206-R210 PolarHBondContact O-N 3.38Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; Y206-A211 WeakPolarHBondContact CD2-O 3.37Å; Y206-A211 PolarHBondContact O-N 2.91Å; Y206-P213 HydrophobicContact CD1-CB 4.33Å; Y206-P213 HydrophobicContact CD2-CB 4.15Å; Y206-P213 HydrophobicContact CE1-CB 4.21Å; Y206-P213 HydrophobicContact CE2-CB 4.04Å; Y206-P213 HydrophobicContact CG-CB 4.31Å
207R94.4Very high92.3Very high198 Ų19882.7 Ų82.775%0.74743%0.434SS*.THydrogen-bonded Turntrans-64.3-42.8177.8-64.6-174.4179.8179.5-1.6111.9E205 H209 R210E205-R207 PolarHBondContact O-N 3.35Å; E205-R207 VanDerWaalsContact O-N 3.08Å; R207-H209 VanDerWaalsContact C-N 3.29Å; R207-H209 PolarHBondContact O-N 3.49Å; R207-R210 PolarHBondContact O-N 2.95Å
208L93.7Very high91.9Very high133 Ų13384.4 Ų84.470%0.69643%0.434SS*.THydrogen-bonded Turntrans-63.1-39.5178.6-178.662.1000110.8E205 R210E205-L208 HydrophobicContact CB-CB 4.38Å; E205-L208 WeakPolarHBondContact O-CB 3.43Å; E205-L208 PolarHBondContact O-N 3.08Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.9Å
209H92.7Very high91.6Very high54 Ų5484.5 Ų84.525%0.2543%0.434CS..THydrogen-bonded Turntrans-87.22.8-178.8-66.1-75.3000114.8Y144 E205 Y206 R207 A211Y144-H209 HydrophobicContact CD1-CB 4.09Å; Y144-H209 HydrophobicContact CD2-CB 3.93Å; Y144-H209 AromaticContact CD2-CD2 3.17Å; Y144-H209 WeakPolarHBondContact CD2-CD2 3.23Å; Y144-H209 AromaticContact CD2-CG 3.41Å; Y144-H209 VanDerWaalsContact CD2-CG 3.41Å; Y144-H209 AromaticContact CD2-ND1 3.93Å; Y144-H209 AromaticContact CD2-NE2 3.58Å; Y144-H209 AromaticContact CE2-CD2 3.11Å; Y144-H209 WeakPolarHBondContact CE2-CD2 3.17Å; Y144-H209 AromaticContact CE2-CG 3.87Å; Y144-H209 AromaticContact CE2-NE2 3.32Å; Y144-H209 VanDerWaalsContact CE2-NE2 3.32Å; Y144-H209 WeakPolarHBondContact CE2-NE2 3.12Å; Y144-H209 HydrophobicContact CG-CB 3.61Å; Y144-H209 AromaticContact CG-CD2 3.67Å; Y144-H209 AromaticContact CG-CG 3.64Å; Y144-H209 AromaticContact CZ-CD2 3.56Å; E205-H209 PolarHBondContact O-CD2 2.98Å; E205-H209 PolarHBondContact O-N 2.68Å; Y206-H209 PolarHBondContact O-N 2.94Å; R207-H209 VanDerWaalsContact C-N 3.29Å; R207-H209 PolarHBondContact O-N 3.49Å; H209-A211 HydrophobicContact CB-CB 4.48Å; H209-A211 PolarHBondContact O-N 3.26Å
210R93.8Very high91.6Very high221 Ų22181.9 Ų81.983%0.83442%0.417SS*.THydrogen-bonded Turntrans50.140.6-174.7-54.9-178.3-178-173.2-0.4112.3Y206 R207 L208Y206-R210 PolarHBondContact O-N 3.38Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; R207-R210 PolarHBondContact O-N 2.95Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.9Å
211A92.9Very high91.7Very high10 Ų1075.1 Ų75.18%0.08339%0.385CS..  trans-109.3156.4179.800000110.9Y144 R148 Y206 H209Y144-A211 HydrophobicContact CD1-CB 4.14Å; Y144-A211 HydrophobicContact CG-CB 4.39Å; Y144-A211 WeakPolarHBondContact O-CB 3.47Å; R148-A211 HydrophobicContact CG-CB 4.43Å; Y206-A211 WeakPolarHBondContact CD2-O 3.37Å; Y206-A211 PolarHBondContact O-N 2.91Å; H209-A211 HydrophobicContact CB-CB 4.48Å; H209-A211 PolarHBondContact O-N 3.26Å
212P92.7Very high91.9Very high53 Ų5382.7 Ų82.734%0.34440%0.398SS..PPolyproline II helixtrans-56.2146.9171.7-2534.5000112.1R147R147-P212 VanDerWaalsContact CD-O 3.25Å; R147-P212 WeakPolarHBondContact CD-O 3.41Å; R147-P212 PolarHBondContact NH1-O 3.43Å
213P93Very high91.8Very high74 Ų7484.7 Ų84.748%0.48141%0.406SS..PPolyproline II helixtrans-59.6148.2173.927-34.4000110.3Y206 S215Y206-P213 HydrophobicContact CD1-CB 4.33Å; Y206-P213 HydrophobicContact CD2-CB 4.15Å; Y206-P213 HydrophobicContact CE1-CB 4.21Å; Y206-P213 HydrophobicContact CE2-CB 4.04Å; Y206-P213 HydrophobicContact CG-CB 4.31Å; P213-S215 PolarHBondContact O-N 3.25Å
214F92.7Very high91.9Very high54 Ų5481.2 Ų81.224%0.23738%0.384CS..PPolyproline II helixtrans-60.2129.3175.7176.1-111.7000110.8R147 G193 A196 L198 D204 L216R147-F214 VanDerWaalsContact NH1-N 3.19Å; G193-F214 WeakPolarHBondContact O-CD2 3.5Å; A196-F214 WeakPolarHBondContact O-CE2 3.15Å; A196-F214 WeakPolarHBondContact O-CZ 3.44Å; L198-F214 HydrophobicContact CD1-CB 3.87Å; L198-F214 HydrophobicContact CD1-CD1 3.17Å; L198-F214 HydrophobicContact CD1-CD2 3.79Å; L198-F214 HydrophobicContact CD1-CE1 3.52Å; L198-F214 HydrophobicContact CD1-CE2 4.1Å; L198-F214 HydrophobicContact CD1-CG 3.31Å; L198-F214 HydrophobicContact CD1-CZ 3.97Å; D204-F214 WeakPolarHBondContact OD2-CB 3.11Å; D204-F214 PolarHBondContact OD2-N 3.34Å; F214-L216 HydrophobicContact CE1-CB 4.36Å; F214-L216 HydrophobicContact CZ-CB 4.11Å; F214-L216 HydrophobicContact CZ-CD1 4.1Å
215S91.7Very high91.8Very high34 Ų3480.2 Ų80.224%0.23838%0.378CS..  trans-140.9115.1171.6178.40000110.1P213 S217 H218 H219P213-S215 PolarHBondContact O-N 3.25Å; S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact OG-N 3.08Å; S215-H218 PolarHBondContact O-N 3.31Å; S215-H218 PolarHBondContact OG-CD2 3.06Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-N 3.22Å
216L90.8Very high91.7Very high89 Ų8984.4 Ų84.447%0.46639%0.391SS..Hα-helixtrans-67-27.3176.1-167.368000111.7F214 G220F214-L216 HydrophobicContact CE1-CB 4.36Å; F214-L216 HydrophobicContact CZ-CB 4.11Å; F214-L216 HydrophobicContact CZ-CD1 4.1Å; L216-G220 WeakPolarHBondContact O-CA 3.4Å; L216-G220 PolarHBondContact O-N 3.25Å
217S89.6Confident91.4Very high95 Ų9583.8 Ų83.866%0.66439%0.391SS*.Hα-helixtrans-65.7-39177.4-56.40000112.5S215 H223S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact OG-N 3.08Å; S217-H223 PolarHBondContact O-ND1 3.34Å
218H85.6Confident91.1Very high123 Ų12374.4 Ų74.457%0.56936%0.355SS*.Hα-helixtrans-92.4-36.4-179.3-67.4-71.9000113.2S215 H223S215-H218 PolarHBondContact O-N 3.31Å; S215-H218 PolarHBondContact OG-CD2 3.06Å; H218-H223 PolarHBondContact O-CD2 3.43Å
219H86.8Confident90.8Very high48 Ų4871.8 Ų71.822%0.22234%0.338CS..Hα-helixtrans-111-8.3-171.6-59.1-61.8000114.1F194 N195 S215F194-H219 HydrophobicContact CD2-CB 4.34Å; F194-H219 HydrophobicContact CE2-CB 4.32Å; F194-H219 CarbonylContact O-C 3.56Å; F194-H219 WeakPolarHBondContact O-CB 3.32Å; N195-H219 WeakPolarHBondContact CA-O 3.47Å; N195-H219 VanDerWaalsContact CB-O 3.23Å; N195-H219 WeakPolarHBondContact CB-O 3.45Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-N 3.22Å
220G91.5Very high90.6Very high3 Ų373.8 Ų73.83%0.03134%0.344CS..SBendtrans-59.3155.5-17600000113.7L216 R222 H223 L224L216-G220 WeakPolarHBondContact O-CA 3.4Å; L216-G220 PolarHBondContact O-N 3.25Å; G220-R222 PolarHBondContact O-N 3.41Å; G220-R222 VanDerWaalsContact O-N 3.13Å; G220-H223 WeakPolarHBondContact O-CB 3.39Å; G220-H223 PolarHBondContact O-N 3.04Å; G220-L224 PolarHBondContact O-N 2.91Å
221K92.1Very high90.2Very high58 Ų5867.1 Ų67.125%0.25232%0.321SS..Hα-helixtrans-49.9-42.2-179-171.6-176.5-172.4178.30112.8V188 E190 N195 H223 L224 I225V188-K221 HydrophobicContact CG1-CG 4.1Å; E190-K221 HydrophobicContact CG-CD 3.92Å; E190-K221 VanDerWaalsContact OE1-CD 3.3Å; E190-K221 WeakPolarHBondContact OE1-CD 3.44Å; E190-K221 WeakPolarHBondContact OE1-CE 3.34Å; E190-K221 IonicContact OE1-NZ 2.94Å; E190-K221 PolarHBondContact OE1-NZ 3.16Å; N195-K221 PolarHBondContact O-N 3.32Å; K221-H223 PolarHBondContact O-N 3.27Å; K221-L224 PolarHBondContact O-N 3.44Å; K221-I225 HydrophobicContact CG-CD1 3.91Å; K221-I225 WeakPolarHBondContact O-CB 3.44Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.49Å; K221-I225 PolarHBondContact O-N 2.86Å
222R91.9Very high89.7Confident207 Ų20768.2 Ų68.278%0.78133%0.325SS*.Hα-helixtrans-61.6-43.2177.8-65.6178.168.790.2-2.4112.4G220 R226G220-R222 PolarHBondContact O-N 3.41Å; G220-R222 VanDerWaalsContact O-N 3.13Å; R222-R226 PolarHBondContact O-N 3.28Å; R222-R226 VanDerWaalsContact O-N 3.08Å
223H92Very high89.3Confident66 Ų6670.7 Ų70.731%0.30633%0.332SS..Hα-helixtrans-66.6-44.9177.4-172.898000110.8S217 H218 G220 K221 I225 R226 E227S217-H223 PolarHBondContact O-ND1 3.34Å; H218-H223 PolarHBondContact O-CD2 3.43Å; G220-H223 WeakPolarHBondContact O-CB 3.39Å; G220-H223 PolarHBondContact O-N 3.04Å; K221-H223 PolarHBondContact O-N 3.27Å; H223-I225 PolarHBondContact O-N 3.42Å; H223-R226 WeakPolarHBondContact O-CB 3.46Å; H223-R226 PolarHBondContact O-N 2.89Å; H223-E227 WeakPolarHBondContact O-CB 3.19Å; H223-E227 PolarHBondContact O-N 3.31Å
224L91.3Very high88.9Confident22 Ų2271.1 Ų71.112%0.11533%0.328CS..Hα-helixtrans-57.7-46.2176.1176.264.8000112.1Y151 V188 G220 K221 R226 E227 I228Y151-L224 HydrophobicContact CD1-CD2 4.17Å; Y151-L224 HydrophobicContact CD2-CD2 3.28Å; Y151-L224 HydrophobicContact CE1-CD2 4.47Å; Y151-L224 HydrophobicContact CE2-CD2 3.68Å; Y151-L224 HydrophobicContact CG-CD1 4.13Å; Y151-L224 HydrophobicContact CG-CD2 3.57Å; Y151-L224 HydrophobicContact CG-CG 4.49Å; V188-L224 HydrophobicContact CG1-CD2 3.8Å; G220-L224 PolarHBondContact O-N 2.91Å; K221-L224 PolarHBondContact O-N 3.44Å; L224-R226 PolarHBondContact O-N 3.47Å; L224-E227 PolarHBondContact O-N 2.87Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CD1-CG1 4.32Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.36Å; L224-I228 PolarHBondContact O-N 3.45Å
225I90.7Very high88.4Confident17 Ų1773.3 Ų73.39%0.08734%0.342CS..Hα-helixtrans-59.9-46.8177-72.1166.3000110.5F183 E185 V188 K221 H223 E227 I228 K229F183-I225 HydrophobicContact CD1-CG2 4.45Å; F183-I225 HydrophobicContact CE1-CB 4.23Å; F183-I225 HydrophobicContact CE1-CG1 3.96Å; F183-I225 HydrophobicContact CE1-CG2 3.66Å; F183-I225 HydrophobicContact CZ-CG1 4.06Å; F183-I225 HydrophobicContact CZ-CG2 4.37Å; E185-I225 HydrophobicContact CB-CD1 4.21Å; V188-I225 HydrophobicContact CG2-CG1 4.09Å; K221-I225 HydrophobicContact CG-CD1 3.91Å; K221-I225 WeakPolarHBondContact O-CB 3.44Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.49Å; K221-I225 PolarHBondContact O-N 2.86Å; H223-I225 PolarHBondContact O-N 3.42Å; I225-E227 PolarHBondContact O-N 2.93Å; I225-I228 PolarHBondContact O-N 3.37Å; I225-K229 HydrophobicContact CG2-CD 4.18Å; I225-K229 WeakPolarHBondContact O-CG 3.46Å; I225-K229 PolarHBondContact O-N 2.94Å
226R91Very high87.8Confident151 Ų15174.2 Ų74.257%0.5734%0.344SS*.Hα-helixtrans-59-46177.5-171.7-170.4-62.6125.9-6.1111.8R222 H223 L224 I228 K229 R230R222-R226 PolarHBondContact O-N 3.28Å; R222-R226 VanDerWaalsContact O-N 3.08Å; H223-R226 WeakPolarHBondContact O-CB 3.46Å; H223-R226 PolarHBondContact O-N 2.89Å; L224-R226 PolarHBondContact O-N 3.47Å; R226-I228 VanDerWaalsContact C-N 3.32Å; R226-I228 PolarHBondContact O-N 3.31Å; R226-K229 PolarHBondContact O-N 3.31Å; R226-R230 WeakPolarHBondContact O-CB 3.41Å; R226-R230 PolarHBondContact O-N 2.85Å
227E89.6Confident87.6Confident49 Ų4977.8 Ų77.823%0.22935%0.351CS..Hα-helixtrans-65.2-34.8179.3176.660.1-169.100112.4H223 L224 I225 R230 K231H223-E227 WeakPolarHBondContact O-CB 3.19Å; H223-E227 PolarHBondContact O-N 3.31Å; L224-E227 PolarHBondContact O-N 2.87Å; I225-E227 PolarHBondContact O-N 2.93Å; E227-R230 IonicContact OE1-CZ 3.9Å; E227-R230 IonicContact OE1-NH2 2.66Å; E227-R230 PolarHBondContact OE1-NH2 3.03Å; E227-R230 IonicContact OE2-CZ 2.63Å; E227-R230 IonicContact OE2-NE 3.93Å; E227-R230 PolarHBondContact OE2-NE 3.39Å; E227-R230 IonicContact OE2-NH2 2.97Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; E227-K231 PolarHBondContact O-N 2.81Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.36Å; E227-K231 IonicContact OE1-NZ 2.97Å; E227-K231 PolarHBondContact OE1-NZ 3.36Å
228I87.5Confident87.4Confident2 Ų276.2 Ų76.21%0.0134%0.338CS..Hα-helixtrans-66.9-48.6173.2-67.6164.4000110.5K156 L160 F183 L224 I225 R226 K231 L232K156-I228 HydrophobicContact CG-CD1 4.12Å; K156-I228 HydrophobicContact CG-CG1 4.24Å; L160-I228 HydrophobicContact CD2-CG2 3.41Å; L160-I228 VanDerWaalsContact CD2-CG2 3.41Å; L160-I228 HydrophobicContact CG-CG2 4.32Å; F183-I228 HydrophobicContact CD2-CG2 3.83Å; F183-I228 HydrophobicContact CE2-CB 4.18Å; F183-I228 HydrophobicContact CE2-CD1 3.97Å; F183-I228 HydrophobicContact CE2-CG2 3.53Å; F183-I228 HydrophobicContact CZ-CB 4.41Å; F183-I228 HydrophobicContact CZ-CD1 4.05Å; F183-I228 HydrophobicContact CZ-CG2 4.21Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CD1-CG1 4.32Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.36Å; L224-I228 PolarHBondContact O-N 3.45Å; I225-I228 PolarHBondContact O-N 3.37Å; R226-I228 VanDerWaalsContact C-N 3.32Å; R226-I228 PolarHBondContact O-N 3.31Å; I228-K231 PolarHBondContact O-N 3.01Å; I228-L232 HydrophobicContact CG2-CD1 4.39Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-L232 VanDerWaalsContact O-N 3.09Å
229K86.7Confident87.2Confident77 Ų7774.6 Ų74.634%0.33534%0.337SS..Hα-helixtrans-60.4-45.7179.3-72-177.6-178.8-178.60112F183 E185 I225 R226 K231 L232 E233F183-K229 HydrophobicContact CD1-CG 4.4Å; E185-K229 WeakPolarHBondContact OE1-CE 3.21Å; E185-K229 IonicContact OE1-NZ 3.91Å; E185-K229 PolarHBondContact OE1-NZ 3.47Å; I225-K229 HydrophobicContact CG2-CD 4.18Å; I225-K229 WeakPolarHBondContact O-CG 3.46Å; I225-K229 PolarHBondContact O-N 2.94Å; R226-K229 PolarHBondContact O-N 3.31Å; K229-K231 VanDerWaalsContact C-N 3.3Å; K229-K231 PolarHBondContact O-N 3.32Å; K229-L232 WeakPolarHBondContact O-CB 3.5Å; K229-L232 PolarHBondContact O-N 3.01Å; K229-L232 VanDerWaalsContact O-N 3.11Å; K229-E233 WeakPolarHBondContact O-CG 3.46Å; K229-E233 PolarHBondContact O-N 3.3Å
230R89Confident87Confident96 Ų9679.3 Ų79.336%0.36235%0.352SS..Hα-helixtrans-54.8-45175.6-175.4-173.767.182.1-0.4112.1R226 E227 E233 E234R226-R230 WeakPolarHBondContact O-CB 3.41Å; R226-R230 PolarHBondContact O-N 2.85Å; E227-R230 IonicContact OE1-CZ 3.9Å; E227-R230 IonicContact OE1-NH2 2.66Å; E227-R230 PolarHBondContact OE1-NH2 3.03Å; E227-R230 IonicContact OE2-CZ 2.63Å; E227-R230 IonicContact OE2-NE 3.93Å; E227-R230 PolarHBondContact OE2-NE 3.39Å; E227-R230 IonicContact OE2-NH2 2.97Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; R230-E233 PolarHBondContact O-N 2.96Å; R230-E234 IonicContact CZ-OE1 2.83Å; R230-E234 IonicContact CZ-OE2 2.75Å; R230-E234 IonicContact NH1-OE1 2.9Å; R230-E234 PolarHBondContact NH1-OE1 3.39Å; R230-E234 IonicContact NH1-OE2 3.58Å; R230-E234 PolarHBondContact NH1-OE2 3.39Å; R230-E234 WeakPolarHBondContact O-CG 3.48Å; R230-E234 PolarHBondContact O-N 3.06Å
231K86Confident86.8Confident81 Ų8182.6 Ų82.635%0.35237%0.372SS..Hα-helixtrans-66.7-36.1178.8-80.1177.7161.3144.70113E227 I228 K229 E234 D235E227-K231 PolarHBondContact O-N 2.81Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.36Å; E227-K231 IonicContact OE1-NZ 2.97Å; E227-K231 PolarHBondContact OE1-NZ 3.36Å; I228-K231 PolarHBondContact O-N 3.01Å; K229-K231 VanDerWaalsContact C-N 3.3Å; K229-K231 PolarHBondContact O-N 3.32Å; K231-E234 PolarHBondContact O-N 3.31Å; K231-D235 WeakPolarHBondContact O-CB 3.49Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.48Å
232L82.5Confident86.5Confident34 Ų3486.1 Ų86.118%0.17839%0.387CS..Hα-helixtrans-64.8-42.8173.5-68.9170.6000112L160 F183 I228 K229 E234 D235 D236L160-L232 HydrophobicContact CD1-CD2 4.46Å; L160-L232 HydrophobicContact CD2-CD1 3.48Å; L160-L232 VanDerWaalsContact CD2-CD1 3.48Å; L160-L232 HydrophobicContact CD2-CD2 3.55Å; L160-L232 HydrophobicContact CD2-CG 3.72Å; F183-L232 HydrophobicContact CB-CD1 4.3Å; I228-L232 HydrophobicContact CG2-CD1 4.39Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-L232 VanDerWaalsContact O-N 3.09Å; K229-L232 WeakPolarHBondContact O-CB 3.5Å; K229-L232 PolarHBondContact O-N 3.01Å; K229-L232 VanDerWaalsContact O-N 3.11Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-E234 PolarHBondContact O-N 3.11Å; L232-D235 PolarHBondContact O-N 2.89Å; L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 3.22Å
233E82.6Confident86.2Confident105 Ų10582.4 Ų82.449%0.49138%0.377SS..Hα-helixtrans-63.4-39.7176.6-69.3169.3-160.200111.7K229 R230 R237K229-E233 WeakPolarHBondContact O-CG 3.46Å; K229-E233 PolarHBondContact O-N 3.3Å; R230-E233 PolarHBondContact O-N 2.96Å; E233-R237 WeakPolarHBondContact O-CB 3.17Å; E233-R237 VanDerWaalsContact O-CG 3.23Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 3.19Å
234E85.7Confident85.8Confident83 Ų8387.3 Ų87.339%0.38839%0.393SS..Hα-helixtrans-63.8-48.1173.7-77.7167.1-169.100111.8R230 K231 L232 D236 R237 T238R230-E234 IonicContact CZ-OE1 2.83Å; R230-E234 IonicContact CZ-OE2 2.75Å; R230-E234 IonicContact NH1-OE1 2.9Å; R230-E234 PolarHBondContact NH1-OE1 3.39Å; R230-E234 IonicContact NH1-OE2 3.58Å; R230-E234 PolarHBondContact NH1-OE2 3.39Å; R230-E234 WeakPolarHBondContact O-CG 3.48Å; R230-E234 PolarHBondContact O-N 3.06Å; K231-E234 PolarHBondContact O-N 3.31Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-E234 PolarHBondContact O-N 3.11Å; E234-D236 VanDerWaalsContact C-N 3.34Å; E234-D236 PolarHBondContact O-N 3.11Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-T238 VanDerWaalsContact O-CG2 3.31Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.45Å
235D81.3Confident85.5Confident100 Ų10094 Ų9454%0.53542%0.416SS..Hα-helixtrans-59.6-45.2177.6-74.8-22.3000110.8K231 L232 R237 T238 V239K231-D235 WeakPolarHBondContact O-CB 3.49Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.48Å; L232-D235 PolarHBondContact O-N 2.89Å; D235-R237 PolarHBondContact O-N 3.29Å; D235-T238 PolarHBondContact O-N 3.47Å; D235-T238 VanDerWaalsContact O-N 3.17Å; D235-T238 PolarHBondContact O-OG1 2.89Å; D235-V239 WeakPolarHBondContact O-CG2 3.41Å; D235-V239 PolarHBondContact O-N 3.13Å
236D79.4Confident85.1Confident52 Ų5298.5 Ų98.528%0.27844%0.44SS..Hα-helixtrans-61.6-44175.7179.343.7000112.2L232 E234 T238 V239 R240L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 3.22Å; E234-D236 VanDerWaalsContact C-N 3.34Å; E234-D236 PolarHBondContact O-N 3.11Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 PolarHBondContact O-N 2.63Å; D236-V239 PolarHBondContact O-N 2.87Å; D236-R240 WeakPolarHBondContact O-CG 3.35Å; D236-R240 PolarHBondContact O-N 2.96Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.67Å; D236-R240 PolarHBondContact OD1-NE 3.04Å; D236-R240 VanDerWaalsContact OD1-NE 3.09Å; D236-R240 IonicContact OD1-NH2 3.21Å; D236-R240 IonicContact OD2-CZ 3.33Å; D236-R240 IonicContact OD2-NE 3.09Å; D236-R240 PolarHBondContact OD2-NE 2.63Å; D236-R240 IonicContact OD2-NH1 3.67Å; D236-R240 IonicContact OD2-NH2 3.79Å; D236-R240 PolarHBondContact OD2-NH2 2.96Å
237R85.9Confident84.8Confident164 Ų16495.3 Ų95.362%0.61943%0.434SS*.Hα-helixtrans-58.4-42.6173-74.4173.2-170-167.75.2111.7E233 E234 D235 R240 T241E233-R237 WeakPolarHBondContact O-CB 3.17Å; E233-R237 VanDerWaalsContact O-CG 3.23Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 3.19Å; E234-R237 PolarHBondContact O-N 3.25Å; D235-R237 PolarHBondContact O-N 3.29Å; R237-R240 PolarHBondContact O-N 3.44Å; R237-T241 WeakPolarHBondContact O-CB 3.25Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 3.25Å
238T85.6Confident84.4Confident62 Ų6297.1 Ų97.138%0.3844%0.442SS..Hα-helixtrans-66.8-38178.170.20000112E234 D235 D236 T241 K242E234-T238 VanDerWaalsContact O-CG2 3.31Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.45Å; D235-T238 PolarHBondContact O-N 3.47Å; D235-T238 VanDerWaalsContact O-N 3.17Å; D235-T238 PolarHBondContact O-OG1 2.89Å; D236-T238 VanDerWaalsContact C-N 3.31Å; D236-T238 PolarHBondContact O-N 2.63Å; T238-T241 PolarHBondContact O-N 3.48Å; T238-K242 WeakPolarHBondContact O-CB 3.27Å; T238-K242 VanDerWaalsContact O-CG 3.26Å; T238-K242 WeakPolarHBondContact O-CG 3.45Å; T238-K242 PolarHBondContact O-N 2.94Å
239V81.9Confident84.1Confident90 Ų90101.6 Ų101.655%0.54547%0.467SS..Hα-helixtrans-65-47.5176.5170.70000110.5D235 D236 T241 K242 K243D235-V239 WeakPolarHBondContact O-CG2 3.41Å; D235-V239 PolarHBondContact O-N 3.13Å; D236-V239 PolarHBondContact O-N 2.87Å; V239-T241 VanDerWaalsContact C-N 3.35Å; V239-T241 PolarHBondContact O-N 2.99Å; V239-K242 PolarHBondContact O-N 2.81Å; V239-K243 WeakPolarHBondContact O-CB 3.38Å; V239-K243 PolarHBondContact O-N 2.92Å
240R83Confident83.8Confident146 Ų146102.2 Ų102.255%0.55147%0.472SS*.Hα-helixtrans-60.8-43176.4-68.8176.8-167.7-167.72.8112.2D236 R237 K243 R244D236-R240 WeakPolarHBondContact O-CG 3.35Å; D236-R240 PolarHBondContact O-N 2.96Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.67Å; D236-R240 PolarHBondContact OD1-NE 3.04Å; D236-R240 VanDerWaalsContact OD1-NE 3.09Å; D236-R240 IonicContact OD1-NH2 3.21Å; D236-R240 IonicContact OD2-CZ 3.33Å; D236-R240 IonicContact OD2-NE 3.09Å; D236-R240 PolarHBondContact OD2-NE 2.63Å; D236-R240 IonicContact OD2-NH1 3.67Å; D236-R240 IonicContact OD2-NH2 3.79Å; D236-R240 PolarHBondContact OD2-NH2 2.96Å; R237-R240 PolarHBondContact O-N 3.44Å; R240-K243 WeakPolarHBondContact O-CB 3.48Å; R240-K243 PolarHBondContact O-N 3.01Å; R240-R244 PolarHBondContact O-N 3.43Å
241T87.7Confident83.2Confident72 Ų72100.5 Ų100.544%0.44248%0.479SS..Hα-helixtrans-63.2-43.8177.3-55.50000111.3R237 T238 V239 K243 R244 R245R237-T241 WeakPolarHBondContact O-CB 3.25Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 3.25Å; T238-T241 PolarHBondContact O-N 3.48Å; V239-T241 VanDerWaalsContact C-N 3.35Å; V239-T241 PolarHBondContact O-N 2.99Å; T241-K243 VanDerWaalsContact C-N 3.35Å; T241-R244 PolarHBondContact O-N 3.44Å; T241-R245 WeakPolarHBondContact O-CG 3.23Å; T241-R245 PolarHBondContact O-N 2.97Å
242K86.1Confident82.8Confident132 Ų132100.4 Ų100.457%0.57449%0.489SS*.Hα-helixtrans-62.9-40.6174.8-75.5170.4-178.9169.50111.9T238 V239 R245 L246T238-K242 WeakPolarHBondContact O-CB 3.27Å; T238-K242 VanDerWaalsContact O-CG 3.26Å; T238-K242 WeakPolarHBondContact O-CG 3.45Å; T238-K242 PolarHBondContact O-N 2.94Å; V239-K242 PolarHBondContact O-N 2.81Å; K242-R245 PolarHBondContact O-N 3.3Å; K242-L246 WeakPolarHBondContact O-CG 3.49Å; K242-L246 PolarHBondContact O-N 3.43Å
243K84.8Confident82.3Confident130 Ų130105.9 Ų105.957%0.56551%0.511SS*.Hα-helixtrans-61-49.2175.6-175.2-179.1176.3-175.80111.3V239 R240 T241 R245 L246 D247V239-K243 WeakPolarHBondContact O-CB 3.38Å; V239-K243 PolarHBondContact O-N 2.92Å; R240-K243 WeakPolarHBondContact O-CB 3.48Å; R240-K243 PolarHBondContact O-N 3.01Å; T241-K243 VanDerWaalsContact C-N 3.35Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.59Å; K243-L246 WeakPolarHBondContact O-CA 3.31Å; K243-L246 WeakPolarHBondContact O-CB 3.13Å; K243-L246 PolarHBondContact O-N 3.45Å; K243-D247 PolarHBondContact O-N 3.13Å
244R83.5Confident81.7Confident169 Ų169104.2 Ų104.264%0.63851%0.508SS*.Hα-helixtrans-57.1-44.4176.4-178.6177.1169.6173.30.8112.3R240 T241 L246 D247 E248R240-R244 PolarHBondContact O-N 3.43Å; T241-R244 PolarHBondContact O-N 3.44Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.39Å; R244-D247 PolarHBondContact O-N 3.21Å; R244-E248 HydrophobicContact CG-CG 4.4Å; R244-E248 WeakPolarHBondContact CG-OE1 3.48Å; R244-E248 IonicContact CZ-OE1 2.68Å; R244-E248 IonicContact NE-OE1 2.72Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 2.63Å; R244-E248 PolarHBondContact NH2-OE1 2.89Å; R244-E248 WeakPolarHBondContact O-CB 3.44Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.38Å
245R85.2Confident80.6Confident163 Ų163108 Ų10862%0.61552%0.524SS*.Hα-helixtrans-61.8-34.3175.2-71.6179.4-179.6-172.8-0.6112.8T241 K242 K243 N249T241-R245 WeakPolarHBondContact O-CG 3.23Å; T241-R245 PolarHBondContact O-N 2.97Å; K242-R245 PolarHBondContact O-N 3.3Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.59Å; R245-N249 WeakPolarHBondContact O-CB 3.3Å; R245-N249 VanDerWaalsContact O-CG 3.29Å; R245-N249 PolarHBondContact O-N 2.83Å; R245-N249 VanDerWaalsContact O-N 3.13Å; R245-N249 PolarHBondContact O-ND2 2.76Å
246L82.4Confident79.7Confident110 Ų110113.1 Ų113.158%0.57654%0.535SS*.Hα-helixtrans-70.3-44175.2-72.5164.6000110.8K242 K243 R244 N249 I250K242-L246 WeakPolarHBondContact O-CG 3.49Å; K242-L246 PolarHBondContact O-N 3.43Å; K243-L246 WeakPolarHBondContact O-CA 3.31Å; K243-L246 WeakPolarHBondContact O-CB 3.13Å; K243-L246 PolarHBondContact O-N 3.45Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.39Å; L246-N249 PolarHBondContact O-N 3.36Å; L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.22Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.44Å
247D83.6Confident78.7Confident85 Ų85117.2 Ų117.246%0.45556%0.557SS.*Hα-helixtrans-64.2-41.8178.7-63.1-23.2000111.5K243 R244 I250 A251K243-D247 PolarHBondContact O-N 3.13Å; R244-D247 PolarHBondContact O-N 3.21Å; D247-I250 PolarHBondContact O-N 3.29Å; D247-A251 PolarHBondContact O-N 3.46Å
248E82.4Confident77.5Confident86 Ų86116.7 Ų116.740%0.40256%0.562SS.*Hα-helixtrans-63.8-40.4174.1-73.9168.7176.900112.3R244 I250 A251 S252R244-E248 HydrophobicContact CG-CG 4.4Å; R244-E248 WeakPolarHBondContact CG-OE1 3.48Å; R244-E248 IonicContact CZ-OE1 2.68Å; R244-E248 IonicContact NE-OE1 2.72Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 2.63Å; R244-E248 PolarHBondContact NH2-OE1 2.89Å; R244-E248 WeakPolarHBondContact O-CB 3.44Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.38Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-A251 PolarHBondContact O-N 3.14Å; E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.48Å; E248-S252 PolarHBondContact O-OG 3.5Å
249N81.9Confident75.9Confident97 Ų97117 Ų11752%0.51957%0.57SS.*Hα-helixtrans-66.5-34174.4-83.9-50.8000112.5R245 L246 K253R245-N249 WeakPolarHBondContact O-CB 3.3Å; R245-N249 VanDerWaalsContact O-CG 3.29Å; R245-N249 PolarHBondContact O-N 2.83Å; R245-N249 VanDerWaalsContact O-N 3.13Å; R245-N249 PolarHBondContact O-ND2 2.76Å; L246-N249 PolarHBondContact O-N 3.36Å; N249-K253 WeakPolarHBondContact O-CG 3.36Å; N249-K253 PolarHBondContact O-N 3.22Å
250I79.6Confident74.2Confident89 Ų89120.9 Ų120.946%0.45658%0.582SS.*Hα-helixtrans-69.6-47.5174.8-67.8161.8000109.6L246 D247 E248 S252 K253 V254L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.22Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.44Å; D247-I250 PolarHBondContact O-N 3.29Å; E248-I250 VanDerWaalsContact C-N 3.33Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.3Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-K253 VanDerWaalsContact O-N 3.14Å; I250-V254 HydrophobicContact CG2-CG2 4.47Å; I250-V254 WeakPolarHBondContact O-CG2 3.46Å; I250-V254 PolarHBondContact O-N 2.96Å
251A76.4Confident72.6Confident61 Ų61119 Ų11950%0.50459%0.589SS.*Hα-helixtrans-59-42.3177.500000112.3D247 E248 K253 V254 F255D247-A251 PolarHBondContact O-N 3.46Å; E248-A251 PolarHBondContact O-N 3.14Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.08Å; A251-V254 PolarHBondContact O-N 2.86Å; A251-F255 PolarHBondContact O-N 3.44Å
252S76.8Confident70.8Confident79 Ų79121 Ų12155%0.55261%0.606SS**Hα-helixtrans-65.3-31.5177.6-56.40000112.9E248 I250 R256E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.48Å; E248-S252 PolarHBondContact O-OG 3.5Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.3Å; S252-R256 PolarHBondContact O-N 3.22Å
253K72.7Confident69Low148 Ų148124.1 Ų124.164%0.64362%0.622SS**Hα-helixtrans-73.6-41.6174-75178.2-179.7-173.70112N249 I250 A251 F255 R256 D257N249-K253 WeakPolarHBondContact O-CG 3.36Å; N249-K253 PolarHBondContact O-N 3.22Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-K253 VanDerWaalsContact O-N 3.14Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.08Å; K253-F255 VanDerWaalsContact C-N 3.33Å; K253-F255 PolarHBondContact O-N 2.87Å; K253-R256 PolarHBondContact O-N 3.29Å; K253-D257 PolarHBondContact O-N 2.99Å; K253-D257 VanDerWaalsContact O-N 3.11Å
254V70.5Confident67.4Low71 Ų71121.9 Ų121.943%0.4363%0.628SS.*Hα-helixtrans-63.1-39178175.80000111.5I250 A251 Q258I250-V254 HydrophobicContact CG2-CG2 4.47Å; I250-V254 WeakPolarHBondContact O-CG2 3.46Å; I250-V254 PolarHBondContact O-N 2.96Å; A251-V254 PolarHBondContact O-N 2.86Å; V254-Q258 PolarHBondContact O-N 3.11Å
255F62.8Low65.6Low163 Ų163119.8 Ų119.872%0.71564%0.636SS**Hα-helixtrans-67.6-36.1176.2-166.8-97.9000112.4A251 K253 Q258 A259A251-F255 PolarHBondContact O-N 3.44Å; K253-F255 VanDerWaalsContact C-N 3.33Å; K253-F255 PolarHBondContact O-N 2.87Å; F255-Q258 PolarHBondContact O-N 3.38Å; F255-A259 PolarHBondContact O-N 3.35Å
256R61.2Low63.9Low207 Ų207120 Ų12078%0.78165%0.648SS**Hα-helixtrans-70.9-31.9179.4-162.8173.4-174.7167.71.8113.1S252 K253 Q258S252-R256 PolarHBondContact O-N 3.22Å; K253-R256 PolarHBondContact O-N 3.29Å; R256-Q258 VanDerWaalsContact C-N 3.35Å
257D59.6Low62Low138 Ų138121.7 Ų121.774%0.73866%0.658SS**Hα-helixtrans-79-16178.6-70.8-19.7000113.2K253K253-D257 PolarHBondContact O-N 2.99Å; K253-D257 VanDerWaalsContact O-N 3.11Å
258Q60Low60.3Low153 Ų153127.5 Ų127.572%0.71568%0.679SS**Hα-helixtrans-96.1-11.4177.3-68.2-177.922.600114.2V254 F255 R256 Q260V254-Q258 PolarHBondContact O-N 3.11Å; F255-Q258 PolarHBondContact O-N 3.38Å; R256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-Q260 PolarHBondContact O-N 3.35Å
259A52.6Low59Low67 Ų67131.8 Ų131.855%0.55470%0.699SS**  trans-93.826.7-174.900000114.7F255 P261F255-A259 PolarHBondContact O-N 3.35Å; A259-P261 WeakPolarHBondContact O-CD 3.34Å
260Q45.3Very low57.3Low172 Ų172131.5 Ų131.580%0.80470%0.703SS**  trans-89.4111.6166.6-83.7-99.5-67.500109.1Q258 S262Q258-Q260 PolarHBondContact O-N 3.35Å; Q260-S262 PolarHBondContact O-N 2.9Å
261P49.6Very low55.7Low107 Ų107134.5 Ų134.570%0.69572%0.719SS**  trans-67.7127.5176.4-9.925.6000109.2A259 H263A259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-H263 PolarHBondContact O-N 3.2Å
262S49.5Very low54.3Low115 Ų115137.2 Ų137.280%0.80473%0.725SS**  trans-64.1121.4167.652.30000108.9Q260 A264Q260-S262 PolarHBondContact O-N 2.9Å; S262-A264 PolarHBondContact O-N 3.2Å; S262-A264 VanDerWaalsContact O-N 3.07Å
263H49Very low52.9Low196 Ų196140.4 Ų140.491%0.90774%0.735SS**  trans-65.8102.7167.3-76.2-87.1000108.1P261P261-H263 PolarHBondContact O-N 3.2Å
264A50Low51.5Low84 Ų84137.3 Ų137.369%0.69475%0.746SS**PPolyproline II helixtrans-79.7148.7166.100000110.1S262S262-A264 PolarHBondContact O-N 3.2Å; S262-A264 VanDerWaalsContact O-N 3.07Å
265P45.9Very low50.5Low124 Ų124142.9 Ų142.981%0.80577%0.767SS**PPolyproline II helixtrans-76.1143.6-169.7-10.528.1000112.9
266I49.6Very low49.6Very low169 Ų169139.9 Ų139.987%0.86776%0.764SS**PPolyproline II helixtrans-53.5129.4-178.9-66.9160.7000112.9
267D44Very low48.8Very low145 Ų145135.1 Ų135.178%0.77576%0.762SS**PPolyproline II helixtrans-66154174.6-61.6-59.3000114.2
268K46.8Very low48.1Very low206 Ų206137.3 Ų137.390%0.89677%0.768SS**  trans-122.399.4151.1-80.8-173.3177.3-176.70108.3
269E55.4Low47.1Very low177 Ų177136.4 Ų136.483%0.82777%0.773SS**  43.9154.6128.6-69.1-98134.100120.8
270P45.7Very low46.5Very low91 Ų91137.9 Ų137.959%0.59178%0.779SS**  -142.6-160.5-54.740.1-19.3000111.3
271L46.5Very low46.4Very low152 Ų152136.8 Ų136.880%0.79678%0.778SS**  trans87.6133.1-179.2-77.1107.5000114.5
272D47.2Very low45.6Very low118 Ų118137 Ų13763%0.63178%0.778SS**  cis-162.7156.321.5-150.3-0.3000110.8
273D47.8Very low45.3Very low145 Ų145138.4 Ų138.478%0.77578%0.776SS**  trans60.6128.3153.4-60.9-41000124.8
274G42.7Very low44.9Very low83 Ų83135.8 Ų135.886%0.85677%0.769SS**  trans131.8104.3135.200000118.1
275E48.6Very low44.2Very low189 Ų189137.4 Ų137.488%0.88377%0.774SS**  trans-80-174-172.4-128.4-151.5138.300115.4
276P43.9Very low43.9Very low99 Ų99137.7 Ų137.764%0.64377%0.773SS**  -126.7-174.8-124.138.4-15.4000114.5
277S45.7Very low43.4Very low108 Ų108137.3 Ų137.376%0.75577%0.768SS**  trans162.3110.6148.253.30000110.6
278E43.7Very low43.6Very low184 Ų184137 Ų13786%0.8677%0.771SS**  73.9123.893.2-70.9-157.8161.500116.8
279T39.4Very low43.3Very low133 Ų133133.2 Ų133.282%0.81676%0.761SS**  trans155.4103.9144.638.50000108.3
280S40.4Very low42.7Very low98 Ų98132.8 Ų132.869%0.68576%0.764SS**  78.6137.261.382.20000115.5
281L42.3Very low42.4Very low150 Ų150137 Ų13779%0.78578%0.776SS**  trans101.299.3165.8-56.7168000114.6
282T34.6Very low42.1Very low112 Ų112135.7 Ų135.769%0.68777%0.774SS**  68.7114.253.674.40000116.1
283D42Very low41.5Very low143 Ų143135.7 Ų135.777%0.76578%0.781SS**  trans-172.7109.9134.4-92.5-30.6000109.1
284N40.2Very low40.8Very low141 Ų141134.1 Ų134.175%0.75478%0.781SS**  64132.389.3-69.4-42.3000113.3
285C35.6Very low40.5Very low119 Ų119136.7 Ų136.780%0.80478%0.78SS**  cis-173.7-177.9-3.8-155.40000107.4
286V40.4Very low40.1Very low130 Ų130132.3 Ų132.379%0.78877%0.77SS**  trans110.288.1167.4-167.30000115.4
287E38.1Very low39.9Very low160 Ų160133.4 Ų133.475%0.74878%0.781SS**  trans-86.5147.2156-63.4-165143.800110.6
288V49.6Very low39.6Very low139 Ų139131.6 Ų131.684%0.84278%0.779SS**  trans-137.3106.2151.7-1790000105.9
289D39.9Very low39.5Very low127 Ų127131.8 Ų131.868%0.67978%0.78SS**  trans-72.1139.4173.5-63.4-66.7000111.4
290D41.8Very low39.8Very low167 Ų167133.7 Ų133.789%0.89378%0.783SS**  trans-145.7133.9145.3-144-23.6000109.5
291E39.8Very low40Very low180 Ų180136.9 Ų136.984%0.84179%0.791SS**  trans-73.6143.7-155.9-65.7-161.6111.600114.7
292T40Very low40.4Very low124 Ų124134.4 Ų134.476%0.76179%0.787SS**  trans-76.1160.5161.456.70000111.1
293P35.1Very low41Very low119 Ų119137.7 Ų137.777%0.77379%0.794SS**  -133.7137.5109.718.40.7000113.6
294S34.4Very low41.3Very low111 Ų111142.6 Ų142.678%0.77680%0.802SS**  trans-4413416527.50000113.4
295T35.8Very low41.4Very low138 Ų138143.4 Ų143.485%0.84781%0.812SS**  trans-141.2139.1154.9-37.90000110.4
296S39.7Very low42Very low96 Ų96140.4 Ų140.467%0.67180%0.802SS**  trans-65.3147.4-163.755.70000116.8
297S39.5Very low42.7Very low123 Ų123140.1 Ų140.186%0.8680%0.8SS**  34.6120.7129.7-46.20000119.5
298G39.1Very low43.4Very low70 Ų70138.1 Ų138.172%0.72280%0.801SS**  trans148.795153.300000116.3
299E42.6Very low43.4Very low187 Ų187135.2 Ų135.287%0.87479%0.792SS**  trans24.3118.7142-58.6179.4138.600120.2
300I45.9Very low43.7Very low173 Ų173135 Ų13589%0.88780%0.798SS**  trans-138.892.2133.3-55.4-177.5000109.7
301L43Very low43.8Very low165 Ų165135.2 Ų135.286%0.86479%0.791SS**  trans-71.6124.4156.1-176.479.7000108.1
302S51.1Low44Very low98 Ų98132.5 Ų132.569%0.68579%0.786SS**  trans159.9128.2137.2-174.40000111.8
303Q47.6Very low44.4Very low181 Ų181132.1 Ų132.185%0.84678%0.784SS**  trans139.867.7139.2-71.6-174.331.100112
304R48.9Very low44.9Very low247 Ų247133.1 Ų133.193%0.93278%0.778SS**  trans-137.280.6152.4-119.2178.2174.2174-2109.1G306R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.48Å
305T41.6Very low45.9Very low157 Ų157135.8 Ų135.896%0.96378%0.775SS**  trans-71.688.2162.547.30000108.3
306G48.7Very low46.5Very low57 Ų57137.9 Ų137.959%0.58877%0.769SS**SBendtrans-142.2136.716400000107R304R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.48Å
307T55.1Low47Very low123 Ų123137.4 Ų137.476%0.75578%0.78SS**  trans-44127.7173.8-39.20000108.9A309T307-A309 PolarHBondContact O-N 3.47Å
308P51.4Low47.8Very low118 Ų118140.3 Ų140.377%0.76678%0.777SS**  trans-58.9113.2176.924.3-31.5000107
309A50.8Low49.3Very low79 Ų79145.7 Ų145.765%0.65378%0.783SS**  trans-60.2136.1163.200000106T307 F311T307-A309 PolarHBondContact O-N 3.47Å; A309-F311 PolarHBondContact O-N 3.37Å
310P45.4Very low50.4Low123 Ų123145.8 Ų145.880%0.79978%0.781SS**  trans-56.3113168.324.7-30000106V312P310-V312 PolarHBondContact O-N 3.33Å
311F44.3Very low51.6Low171 Ų171142.3 Ų142.375%0.7577%0.77SS**  trans-57136.1168.749.9-88.1000106.4A309 V313A309-F311 PolarHBondContact O-N 3.37Å; F311-V313 PolarHBondContact O-N 3.17Å
312V45Very low53.3Low123 Ų123137 Ų13775%0.74575%0.747SS**  trans-55.2115.5172.6176.80000106.4P310 H314P310-V312 PolarHBondContact O-N 3.33Å; V312-H314 VanDerWaalsContact C-N 3.32Å; V312-H314 PolarHBondContact O-N 2.97Å
313V47.5Very low54.5Low116 Ų116139.7 Ų139.770%0.70375%0.752SS**  trans-63.3100.9169.7179.30000105.3F311 K315F311-V313 PolarHBondContact O-N 3.17Å; V313-K315 PolarHBondContact O-N 2.75Å
314H46.3Very low56Low139 Ų139138.3 Ų138.364%0.64475%0.746SS**  trans-56.4132.8173.1-102.6-99.8000108.4V312 Y316V312-H314 VanDerWaalsContact C-N 3.32Å; V312-H314 PolarHBondContact O-N 2.97Å; H314-Y316 PolarHBondContact O-N 2.83Å
315K53.8Low57.6Low167 Ų167134 Ų13473%0.72673%0.734SS**SBendtrans-64.628.1177.5-93.2-1751761800114.3D171 V313D171-K315 IonicContact OD1-NZ 2.78Å; D171-K315 PolarHBondContact OD1-NZ 2.85Å; D171-K315 IonicContact OD2-NZ 3.5Å; V313-K315 PolarHBondContact O-N 2.75Å
316Y49.7Very low59.1Low182 Ų182134.3 Ų134.371%0.71472%0.722SS**SBendtrans-123.8102.2179.8-64.2-77000110.3H314 F318H314-Y316 PolarHBondContact O-N 2.83Å; Y316-F318 PolarHBondContact O-N 2.9Å
317G50.3Low60.6Low87 Ų87135.2 Ų135.290%0.89772%0.719SS**  trans52.81.4141.300000122.1E319G317-E319 PolarHBondContact O-N 2.84Å; G317-E319 VanDerWaalsContact O-N 3.08Å
318F56.3Low61.8Low184 Ų184133 Ų13381%0.80771%0.714SS**  trans-75.7103177.4-91.3-86.5000110.1Y316 K320Y316-F318 PolarHBondContact O-N 2.9Å; F318-K320 PolarHBondContact O-N 2.94Å
319E69.1Low63.1Low182 Ų182131.2 Ų131.285%0.8572%0.716SS**PPolyproline II helixtrans-51.7121.4156.7-80-172.3155.500108G317G317-E319 PolarHBondContact O-N 2.84Å; G317-E319 VanDerWaalsContact O-N 3.08Å
320K66.2Low64.4Low189 Ų189134 Ų13482%0.82272%0.718SS**PPolyproline II helixtrans-56.4127.3172.3-69.6174.5-177.1171.40107F318 S322F318-K320 PolarHBondContact O-N 2.94Å; K320-S322 PolarHBondContact O-N 2.8Å
321P71.5Confident65.8Low101 Ų101137 Ų13766%0.65672%0.721SS**PPolyproline II helixtrans-51.8133.2173.2-2230.5000108.8K325P321-K325 HydrophobicContact CB-CB 4.5Å
322S79.3Confident67.2Low54 Ų54138.1 Ų138.138%0.37873%0.726SS.*PPolyproline II helixtrans-56.4147.1176.965.60000109.6K320 E324 K325K320-S322 PolarHBondContact O-N 2.8Å; S322-E324 PolarHBondContact O-N 3.18Å; S322-K325 WeakPolarHBondContact O-CB 3.43Å; S322-K325 PolarHBondContact O-N 3.22Å; S322-K325 PolarHBondContact OG-N 3.3Å
323L75.8Confident68.3Low154 Ų154138.5 Ų138.581%0.80672%0.722SS**Hα-helixtrans-53.6-30178.2-17665.4000111.8F326L323-F326 WeakPolarHBondContact O-CB 3.47Å; L323-F326 PolarHBondContact O-N 2.71Å
324E79.7Confident69.2Low152 Ų152141.3 Ų141.371%0.7173%0.728SS**Hα-helixtrans-68.1-34.5176.7-64.7170.5170.600113.1S322 F326 S327 A328S322-E324 PolarHBondContact O-N 3.18Å; E324-F326 PolarHBondContact O-N 2.98Å; E324-S327 PolarHBondContact O-N 3.22Å; E324-S327 PolarHBondContact O-OG 3Å; E324-A328 PolarHBondContact O-N 2.86Å
325K81Confident70Confident155 Ų155143.8 Ų143.867%0.67473%0.733SS**Hα-helixtrans-67.5-23.2173-73.4-179.4-179.2-179.60112.1P321 S322P321-K325 HydrophobicContact CB-CB 4.5Å; S322-K325 WeakPolarHBondContact O-CB 3.43Å; S322-K325 PolarHBondContact O-N 3.22Å; S322-K325 PolarHBondContact OG-N 3.3Å
326F74.6Confident70Confident165 Ų165142.9 Ų142.972%0.72473%0.731SS**Hα-helixtrans-74.7-29.1176.6-163.8-91.4000112.5L323 E324L323-F326 WeakPolarHBondContact O-CB 3.47Å; L323-F326 PolarHBondContact O-N 2.71Å; E324-F326 PolarHBondContact O-N 2.98Å
327S79.1Confident70.2Confident75 Ų75144 Ų14452%0.52474%0.74SS.*Hα-helixtrans-89-18.5179.157.10000113.8E324 G329 M330E324-S327 PolarHBondContact O-N 3.22Å; E324-S327 PolarHBondContact O-OG 3Å; S327-G329 PolarHBondContact O-N 3.39Å; S327-G329 VanDerWaalsContact O-N 3.17Å; S327-M330 PolarHBondContact O-N 3.16Å
328A80.6Confident70.1Confident78 Ų78146.7 Ų146.765%0.64573%0.729SS**THydrogen-bonded Turntrans-61.4115.4175.900000111.3E324E324-A328 PolarHBondContact O-N 2.86Å
329G78.9Confident69.5Low79 Ų79143.1 Ų143.181%0.81473%0.727SS**THydrogen-bonded Turntrans93-4.1178.400000115.6S327 Q331S327-G329 PolarHBondContact O-N 3.39Å; S327-G329 VanDerWaalsContact O-N 3.17Å; G329-Q331 PolarHBondContact O-N 3.34Å
330M77.5Confident68.3Low138 Ų138142.5 Ų142.568%0.6872%0.724SS**  trans-67.4102.8167.7-72.5-169.573.400109.3S327 K332S327-M330 PolarHBondContact O-N 3.16Å; M330-K332 PolarHBondContact O-N 2.71Å
331Q75.4Confident67.4Low186 Ų186139 Ų13987%0.86972%0.721SS**  trans-59.4132.4171.4-77.8-177.5-900109.6G329 L333G329-Q331 PolarHBondContact O-N 3.34Å; Q331-L333 PolarHBondContact O-N 3.02Å; Q331-L333 VanDerWaalsContact O-N 3.16Å
332K74.3Confident66.5Low195 Ų195143 Ų14385%0.84873%0.733SS**  trans-58.7121.8171.9-159.4174.7-173.3179.20106.9M330 E334M330-K332 PolarHBondContact O-N 2.71Å; K332-E334 VanDerWaalsContact C-N 3.27Å; K332-E334 PolarHBondContact O-N 3.13Å
333L68.2Low65.2Low130 Ų130143.5 Ų143.568%0.68175%0.747SS**  trans-67.389.5-179.3-143.9115000108.3Q331 Y335Q331-L333 PolarHBondContact O-N 3.02Å; Q331-L333 VanDerWaalsContact O-N 3.16Å; L333-Y335 HydrophobicContact CD2-CD1 4.27Å; L333-Y335 HydrophobicContact CD2-CD2 4.49Å; L333-Y335 HydrophobicContact CD2-CE1 3.67Å; L333-Y335 HydrophobicContact CD2-CE2 3.93Å; L333-Y335 VanDerWaalsContact CD2-CZ 3.48Å; L333-Y335 PolarHBondContact O-N 3.44Å; L333-Y335 VanDerWaalsContact O-N 3.15Å
334E65.6Low64.2Low176 Ų176141.1 Ų141.182%0.82273%0.734SS**  trans-73.4103.6170.3-81.2-166.1157.800108K332 Q336K332-E334 VanDerWaalsContact C-N 3.27Å; K332-E334 PolarHBondContact O-N 3.13Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 3.39Å
335Y63.7Low63.6Low190 Ų190136.8 Ų136.875%0.74572%0.72SS**  trans-64.698.8163.9-64.4-83.4000107.4L333 K337L333-Y335 HydrophobicContact CD2-CD1 4.27Å; L333-Y335 HydrophobicContact CD2-CD2 4.49Å; L333-Y335 HydrophobicContact CD2-CE1 3.67Å; L333-Y335 HydrophobicContact CD2-CE2 3.93Å; L333-Y335 VanDerWaalsContact CD2-CZ 3.48Å; L333-Y335 PolarHBondContact O-N 3.44Å; L333-Y335 VanDerWaalsContact O-N 3.15Å; Y335-K337 PolarHBondContact O-N 3.34Å
336Q53.5Low63.2Low148 Ų148136 Ų13669%0.69272%0.723SS**  trans-53.7106.2165.7-104.8-178.5-1.300107.5E334 Q338E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 3.39Å; Q336-Q338 HydrophobicContact CB-CG 4.39Å; Q336-Q338 HydrophobicContact CG-CG 4.33Å; Q336-Q338 PolarHBondContact O-N 2.93Å
337K53.4Low63.2Low207 Ų207135.7 Ų135.790%0.972%0.721SS**  trans-73.643.5168.4-69.8-178.9179174.50110Y335 S339Y335-K337 PolarHBondContact O-N 3.34Å; K337-S339 PolarHBondContact O-N 3.47Å
338Q48.1Very low63.2Low143 Ų143139 Ų13967%0.66873%0.726SS**  trans-83.3105.8174.3-72.3-1696.600108.7Q336 Q340Q336-Q338 HydrophobicContact CB-CG 4.39Å; Q336-Q338 HydrophobicContact CG-CG 4.33Å; Q336-Q338 PolarHBondContact O-N 2.93Å; Q338-Q340 PolarHBondContact O-N 2.84Å; Q338-Q340 VanDerWaalsContact O-N 3.16Å
339S43.8Very low63Low109 Ų109143.3 Ų143.376%0.76273%0.726SS**  trans-51104.6171.850.70000112.1K337K337-S339 PolarHBondContact O-N 3.47Å
340Q44.6Very low63Low169 Ų169144.4 Ų144.479%0.7971%0.712SS**  trans-101.5108.1151.4-77.3-86.4-25.700106.4Q338 M342Q338-Q340 PolarHBondContact O-N 2.84Å; Q338-Q340 VanDerWaalsContact O-N 3.16Å; Q340-M342 VanDerWaalsContact C-N 3.32Å; Q340-M342 PolarHBondContact O-N 3.37Å
341P47.8Very low63.3Low115 Ų115140 Ų14075%0.74770%0.696SS**THydrogen-bonded Turntrans-7788.6-178.431.7-28.9000107.3
342M51.3Low63.8Low185 Ų185135.4 Ų135.491%0.91168%0.676SS**THydrogen-bonded Turntrans172.2-10.3162.7-93.1-49-90.600111.4Q340 I344Q340-M342 VanDerWaalsContact C-N 3.32Å; Q340-M342 PolarHBondContact O-N 3.37Å; M342-I344 PolarHBondContact O-N 3.44Å
343G51.3Low64.4Low65 Ų65130.5 Ų130.567%0.6766%0.659SS**  trans-8882.5179.100000112.9S345G343-S345 PolarHBondContact O-N 3.18Å
344I56.6Low65.4Low103 Ų103132.3 Ų132.353%0.52866%0.657SS.*  trans-54.7113.8159.8-62.6171.8000106M342 L346 K348 R349M342-I344 PolarHBondContact O-N 3.44Å; I344-L346 PolarHBondContact O-N 3.47Å; I344-K348 HydrophobicContact CG2-CB 3.38Å; I344-R349 HydrophobicContact CG2-CB 4.05Å
345S67Low66.6Low62 Ų62128 Ų12843%0.43464%0.64SS.*  trans-46.3136.7-179.768.10000109.2G343 F347 K348 R349G343-S345 PolarHBondContact O-N 3.18Å; S345-F347 CarbonylContact O-C 3.48Å; S345-F347 PolarHBondContact O-N 3.36Å; S345-K348 WeakPolarHBondContact O-CA 3.33Å; S345-K348 PolarHBondContact O-N 3.02Å; S345-K348 WeakPolarHBondContact OG-CG 3.32Å; S345-K348 PolarHBondContact OG-N 3.28Å; S345-R349 PolarHBondContact O-N 3.06Å
346L72.8Confident67.8Low139 Ų139124 Ų12473%0.72863%0.628SS**Hα-helixtrans-45.9-36.7-176.7-174.5114000111.5I344 R349 L350I344-L346 PolarHBondContact O-N 3.47Å; L346-R349 PolarHBondContact O-N 3Å; L346-L350 HydrophobicContact CD2-CD1 3.81Å; L346-L350 HydrophobicContact CG-CD1 4.23Å; L346-L350 WeakPolarHBondContact O-CB 3.11Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.17Å; L346-L350 PolarHBondContact O-N 3.35Å
347F74.2Confident69.5Low157 Ų157119.8 Ų119.869%0.68961%0.614SS**Hα-helixtrans-63.6-48.2173.5-163-93.2000114.2S345 R349 L350 S351S345-F347 CarbonylContact O-C 3.48Å; S345-F347 PolarHBondContact O-N 3.36Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.01Å; F347-L350 PolarHBondContact O-N 2.94Å; F347-S351 WeakPolarHBondContact O-CB 3.46Å; F347-S351 PolarHBondContact O-N 3.18Å; F347-S351 PolarHBondContact O-OG 2.86Å; F347-S351 VanDerWaalsContact O-OG 3.07Å
348K77.9Confident71.3Confident144 Ų144115.1 Ų115.163%0.62659%0.594SS**Hα-helixtrans-60.5-39.4173.7-81.3-177.6178.4-178.70111I344 S345 S351 L352I344-K348 HydrophobicContact CG2-CB 3.38Å; S345-K348 WeakPolarHBondContact O-CA 3.33Å; S345-K348 PolarHBondContact O-N 3.02Å; S345-K348 WeakPolarHBondContact OG-CG 3.32Å; S345-K348 PolarHBondContact OG-N 3.28Å; K348-S351 PolarHBondContact O-N 3.08Å; K348-L352 WeakPolarHBondContact O-CB 3.5Å; K348-L352 PolarHBondContact O-N 3.37Å
349R76.8Confident73.4Confident170 Ų170113.5 Ų113.564%0.64259%0.586SS**Hα-helixtrans-65.6-44.2177.9-168.8174.9-176.7165.52.3112.1I344 S345 L346 F347 L352 L353I344-R349 HydrophobicContact CG2-CB 4.05Å; S345-R349 PolarHBondContact O-N 3.06Å; L346-R349 PolarHBondContact O-N 3Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 3.15Å; R349-L353 HydrophobicContact CG-CD1 4.23Å; R349-L353 PolarHBondContact O-N 2.78Å
350L78.8Confident75.6Confident101 Ų101112.2 Ų112.253%0.52957%0.574SS.*Hα-helixtrans-63-41.2175.3-75.9169000111.9L346 F347 L353 R354L346-L350 HydrophobicContact CD2-CD1 3.81Å; L346-L350 HydrophobicContact CG-CD1 4.23Å; L346-L350 WeakPolarHBondContact O-CB 3.11Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.17Å; L346-L350 PolarHBondContact O-N 3.35Å; F347-L350 PolarHBondContact O-N 2.94Å; L350-L353 PolarHBondContact O-N 3.44Å; L350-R354 WeakPolarHBondContact O-CB 3.34Å; L350-R354 PolarHBondContact O-N 2.96Å
351S85.1Confident77.7Confident47 Ų47108.2 Ų108.233%0.32956%0.561SS.*Hα-helixtrans-62.8-42.3174.9-670000112.3F347 K348 R354 N355F347-S351 WeakPolarHBondContact O-CB 3.46Å; F347-S351 PolarHBondContact O-N 3.18Å; F347-S351 PolarHBondContact O-OG 2.86Å; F347-S351 VanDerWaalsContact O-OG 3.07Å; K348-S351 PolarHBondContact O-N 3.08Å; S351-R354 PolarHBondContact O-N 3.4Å; S351-N355 PolarHBondContact O-N 3.27Å
352L85.6Confident79.8Confident89 Ų89109.1 Ų109.147%0.46655%0.553SS.*Hα-helixtrans-65-44.8177.3-131.8144.9000111.5K348 R349 R354 N355 Q356K348-L352 WeakPolarHBondContact O-CB 3.5Å; K348-L352 PolarHBondContact O-N 3.37Å; R349-L352 PolarHBondContact O-N 3.15Å; L352-R354 PolarHBondContact O-N 3.25Å; L352-N355 PolarHBondContact O-N 3.12Å; L352-Q356 HydrophobicContact CD2-CG 4.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.29Å; L352-Q356 PolarHBondContact O-N 3.31Å
353L86.9Confident81.7Confident92 Ų92105.9 Ų105.948%0.48254%0.536SS..Hα-helixtrans-60.5-41.7173.9-82.5158000112.3R349 L350 Q356 S357R349-L353 HydrophobicContact CG-CD1 4.23Å; R349-L353 PolarHBondContact O-N 2.78Å; L350-L353 PolarHBondContact O-N 3.44Å; L353-Q356 PolarHBondContact O-N 3.23Å; L353-S357 PolarHBondContact O-N 2.93Å; L353-S357 PolarHBondContact O-OG 3.2Å
354R88.5Confident83.4Confident167 Ų167109.5 Ų109.563%0.6353%0.533SS*.Hα-helixtrans-64.6-40.5177.3-172.2177.4-177.7179.6-0.3111.4L350 S351 L352 S357 K358L350-R354 WeakPolarHBondContact O-CB 3.34Å; L350-R354 PolarHBondContact O-N 2.96Å; S351-R354 PolarHBondContact O-N 3.4Å; L352-R354 PolarHBondContact O-N 3.25Å; R354-S357 PolarHBondContact O-N 2.97Å; R354-S357 PolarHBondContact O-OG 3.38Å; R354-K358 WeakPolarHBondContact O-CG 3.38Å; R354-K358 PolarHBondContact O-N 3.35Å; R354-K358 VanDerWaalsContact O-N 3.14Å
355N90.6Very high84.9Confident87 Ų87109.5 Ų109.547%0.46553%0.534SS..Hα-helixtrans-67.4-44.8176.5-71.5-13.3000111.3S351 L352 S357 K358 E359S351-N355 PolarHBondContact O-N 3.27Å; L352-N355 PolarHBondContact O-N 3.12Å; N355-S357 VanDerWaalsContact C-N 3.32Å; N355-S357 PolarHBondContact O-N 2.75Å; N355-K358 WeakPolarHBondContact O-CB 3.06Å; N355-K358 PolarHBondContact O-N 3.2Å; N355-E359 PolarHBondContact O-N 3.4Å
356Q90Very high85.9Confident106 Ų106111.5 Ų111.550%0.49554%0.539SS..Hα-helixtrans-56.3-44.5173.1-73.7176.2-10.600112.1L352 L353 K358 E359 T360L352-Q356 HydrophobicContact CD2-CG 4.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.29Å; L352-Q356 PolarHBondContact O-N 3.31Å; L353-Q356 PolarHBondContact O-N 3.23Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 3.33Å; Q356-E359 PolarHBondContact O-N 3.41Å; Q356-T360 WeakPolarHBondContact O-CG2 3.45Å; Q356-T360 PolarHBondContact O-N 3.45Å; Q356-T360 PolarHBondContact O-OG1 3.09Å
357S89Confident86.5Confident58 Ų58111.5 Ų111.541%0.40653%0.533SS..Hα-helixtrans-63.9-29.8176.569.30000113.7L353 R354 N355 T360 V361L353-S357 PolarHBondContact O-N 2.93Å; L353-S357 PolarHBondContact O-OG 3.2Å; R354-S357 PolarHBondContact O-N 2.97Å; R354-S357 PolarHBondContact O-OG 3.38Å; N355-S357 VanDerWaalsContact C-N 3.32Å; N355-S357 PolarHBondContact O-N 2.75Å; S357-T360 WeakPolarHBondContact CA-OG1 3.35Å; S357-T360 PolarHBondContact O-OG1 3.12Å; S357-V361 WeakPolarHBondContact O-CG2 3.46Å; S357-V361 PolarHBondContact O-N 3.21Å
358K90.6Very high87Confident109 Ų109109.8 Ų109.847%0.47453%0.526SS..Hα-helixtrans-74.3-41.2175.9-75.1175.1177.4-178.20110.8R354 N355 Q356 V361 K362R354-K358 WeakPolarHBondContact O-CG 3.38Å; R354-K358 PolarHBondContact O-N 3.35Å; R354-K358 VanDerWaalsContact O-N 3.14Å; N355-K358 WeakPolarHBondContact O-CB 3.06Å; N355-K358 PolarHBondContact O-N 3.2Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 3.33Å; K358-V361 PolarHBondContact O-N 2.77Å; K358-K362 WeakPolarHBondContact O-CG 3.48Å; K358-K362 PolarHBondContact O-N 3.29Å
359E91.8Very high87.1Confident110 Ų110106.4 Ų106.451%0.51452%0.52SS..Hα-helixtrans-61-45.7176.1-131.785.2-12600111.1N355 Q356 K362 Q363N355-E359 PolarHBondContact O-N 3.4Å; Q356-E359 PolarHBondContact O-N 3.41Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 2.9Å; E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 3.1Å
360T90Very high87.2Confident82 Ų82104.5 Ų104.550%0.50352%0.518SS..Hα-helixtrans-65.7-40.8-179.755.90000112.2Q356 S357 Q363 F364Q356-T360 WeakPolarHBondContact O-CG2 3.45Å; Q356-T360 PolarHBondContact O-N 3.45Å; Q356-T360 PolarHBondContact O-OG1 3.09Å; S357-T360 WeakPolarHBondContact CA-OG1 3.35Å; S357-T360 PolarHBondContact O-OG1 3.12Å; T360-Q363 PolarHBondContact O-N 2.82Å; T360-F364 WeakPolarHBondContact O-CB 3.47Å; T360-F364 PolarHBondContact O-N 2.94Å
361V89.5Confident87Confident85 Ų85108.3 Ų108.352%0.51553%0.53SS..Hα-helixtrans-63.5-42.1174171.90000110.9S357 K358 F364 L365S357-V361 WeakPolarHBondContact O-CG2 3.46Å; S357-V361 PolarHBondContact O-N 3.21Å; K358-V361 PolarHBondContact O-N 2.77Å; V361-F364 PolarHBondContact O-N 3.37Å; V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.95Å
362K91.3Very high86Confident134 Ų134113.7 Ų113.758%0.58355%0.55SS**Hα-helixtrans-60.3-46.9174.7-78.3-178.9178.6-177.50112K358 E359 F364 L365 L366K358-K362 WeakPolarHBondContact O-CG 3.48Å; K358-K362 PolarHBondContact O-N 3.29Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 2.9Å; K362-F364 VanDerWaalsContact C-N 3.32Å; K362-F364 PolarHBondContact O-N 2.93Å; K362-L365 PolarHBondContact O-N 2.93Å; K362-L366 PolarHBondContact O-N 3.38Å
363Q90.8Very high84.8Confident117 Ų117112.8 Ų112.855%0.54756%0.562SS.*Hα-helixtrans-62.2-38.3177.2-72.8-176.13.700112.3E359 T360 L366 K367E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 3.1Å; T360-Q363 PolarHBondContact O-N 2.82Å; Q363-L366 PolarHBondContact O-N 3.39Å; Q363-K367 WeakPolarHBondContact O-CG 3.46Å; Q363-K367 PolarHBondContact O-N 2.98Å
364F88.7Confident82.9Confident141 Ų141119.9 Ų119.962%0.61859%0.593SS**Hα-helixtrans-64.5-42.2175.6-177.4-96.8000111.9T360 V361 K362 K367 K368T360-F364 WeakPolarHBondContact O-CB 3.47Å; T360-F364 PolarHBondContact O-N 2.94Å; V361-F364 PolarHBondContact O-N 3.37Å; K362-F364 VanDerWaalsContact C-N 3.32Å; K362-F364 PolarHBondContact O-N 2.93Å; F364-K367 PolarHBondContact O-N 2.99Å; F364-K368 WeakPolarHBondContact O-CB 3.39Å; F364-K368 PolarHBondContact O-N 3.08Å
365L87.2Confident82.6Confident103 Ų103117.5 Ų117.554%0.53959%0.591SS.*Hα-helixtrans-65-41.1176-68.5173.7000112.1V361 K362 K368 S369V361-L365 HydrophobicContact CG1-CD1 4.18Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.95Å; K362-L365 PolarHBondContact O-N 2.93Å; L365-K368 PolarHBondContact O-N 3.37Å; L365-S369 PolarHBondContact O-N 2.94Å; L365-S369 PolarHBondContact O-OG 3.22Å
366L87.9Confident82.2Confident103 Ų103119.1 Ų119.154%0.53960%0.598SS.*Hα-helixtrans-62.5-43.2174.2-97.3137.3000112.8K362 Q363 K368 S369 Q370K362-L366 PolarHBondContact O-N 3.38Å; Q363-L366 PolarHBondContact O-N 3.39Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.31Å; L366-S369 WeakPolarHBondContact CA-OG 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.47Å; L366-Q370 WeakPolarHBondContact O-CG 3.48Å; L366-Q370 PolarHBondContact O-N 3.17Å
367K85.9Confident81.8Confident140 Ų140119.8 Ų119.861%0.60960%0.603SS**Hα-helixtrans-65.4-35174.3-76.2-177.1178.7-178.20112.1Q363 F364 K371Q363-K367 WeakPolarHBondContact O-CG 3.46Å; Q363-K367 PolarHBondContact O-N 2.98Å; F364-K367 PolarHBondContact O-N 2.99Å; K367-K371 PolarHBondContact O-N 2.65Å; K367-K371 VanDerWaalsContact O-N 3.13Å
368K85.1Confident81.3Confident121 Ų121123.5 Ų123.553%0.52662%0.615SS.*Hα-helixtrans-69.5-35.7176.1-169.2178.3178.8-177.80111.9F364 L365 L366F364-K368 WeakPolarHBondContact O-CB 3.39Å; F364-K368 PolarHBondContact O-N 3.08Å; L365-K368 PolarHBondContact O-N 3.37Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.31Å
369S79.7Confident80.8Confident73 Ų73124.4 Ų124.451%0.5162%0.624SS.*Hα-helixtrans-71.7-36.1174.556.70000112.7L365 L366 H372 G373L365-S369 PolarHBondContact O-N 2.94Å; L365-S369 PolarHBondContact O-OG 3.22Å; L366-S369 WeakPolarHBondContact CA-OG 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.47Å; S369-H372 PolarHBondContact O-N 3.42Å; S369-G373 PolarHBondContact O-N 3.04Å
370Q78.6Confident80Confident130 Ų130125.3 Ų125.361%0.60763%0.631SS**Hα-helixtrans-67.3-38.2175.7-74.1176.3-1300112.4L366 H372 G373L366-Q370 WeakPolarHBondContact O-CG 3.48Å; L366-Q370 PolarHBondContact O-N 3.17Å; Q370-H372 PolarHBondContact O-N 3.17Å; Q370-G373 PolarHBondContact O-N 3.49Å
371K73.6Confident79.3Confident180 Ų180128.4 Ų128.478%0.78364%0.64SS**THydrogen-bonded Turntrans-71.5-8.1176.9-77.5-168.8175-167.20115.5K367K367-K371 PolarHBondContact O-N 2.65Å; K367-K371 VanDerWaalsContact O-N 3.13Å
372H64.9Low78.5Confident160 Ų160131.8 Ų131.874%0.74165%0.65SS**THydrogen-bonded Turntrans-112.47.7175.3-86.8-61.5000112.5S369 Q370S369-H372 PolarHBondContact O-N 3.42Å; Q370-H372 PolarHBondContact O-N 3.17Å
373G59.5Low77.5Confident70 Ų70131.6 Ų131.672%0.72266%0.656SS**  trans-119.64.7-178.300000115.3S369 Q370S369-G373 PolarHBondContact O-N 3.04Å; Q370-G373 PolarHBondContact O-N 3.49Å
374E47.9Very low76.3Confident241 Ų241132.9 Ų132.9100%1.12667%0.666SS**  trans-105.50157.8-73.1178.8167.900107.7

Retrieved 374 of 374 residues in 196.6 ms (Link to these results)