A0A087XYA1_POEFO Loading...

Zinc finger protein 385D

AlphaFold DB , UniProt , Accession A0A087XYA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low41.7Very low252 Ų252154.5 Ų154.5100%1.24184%0.843SS**  0162.50-69.6173.5-17800108.3
2Y40.4Very low42.3Very low204 Ų204152.5 Ų152.580%0.884%0.843SS**  trans-94.3179.1-160.1-150.7-102000113.4
3F39.3Very low41.7Very low186 Ų186148.5 Ų148.582%0.81683%0.833SS**  trans74.8133177.2-53.8-82.1000115.5
4G40Very low41.2Very low64 Ų64149.7 Ų149.766%0.6684%0.835SS**  cis112.1122.65.800000111.1
5N39Very low40.6Very low175 Ų175146.2 Ų146.294%0.93683%0.833SS**  trans-139.6131.3174-101.3-40.3000111
6V42.2Very low40.2Very low121 Ų121151.6 Ų151.673%0.73384%0.836SS**  trans-110.9143.2-173.7169.60000109.1
7C43.8Very low40.3Very low122 Ų122148.5 Ų148.582%0.82482%0.824SS**  trans-71135.2177.2-52.20000111.9
8H41.5Very low39.9Very low173 Ų173147.3 Ų147.380%0.80182%0.822SS**  trans-139.9123.1158.4-81.6-73.8000111.5
9S41.7Very low39.6Very low113 Ų113148.2 Ų148.279%0.7982%0.824SS**  trans-75.4159.8161.6-46.80000110.3
10P49.8Very low39.2Very low123 Ų123144.5 Ų144.580%0.79982%0.821SS**  -142.3147125.233.9-19.5000115
11L42.5Very low38.9Very low166 Ų166148.9 Ų148.987%0.86982%0.824SS**  trans-88.6161.5149.8-71.8169.6000108.5
12P48.7Very low38.7Very low131 Ų131143.4 Ų143.485%0.85181%0.805SS**  -143.7179.5108.634.9-18.6000115.3
13S34.3Very low38.6Very low101 Ų101141.4 Ų141.471%0.70680%0.803SS**  trans-117.1154-175.9170.40000110.7
14L34.6Very low39Very low165 Ų165138.4 Ų138.486%0.86480%0.802SS**  163.3147.6126.8-94.4151.6000116.5
15A33.1Very low38.9Very low97 Ų97140.1 Ų140.180%0.80280%0.804SS**  trans82.7138.114100000124.1
16R33.3Very low39.6Very low233 Ų233137.4 Ų137.488%0.87980%0.796SS**  trans-96.1171.8166.2-161.4170.7172.4-149.4-2.1106.8
17P43Very low39.5Very low99 Ų99138.2 Ų138.264%0.64380%0.797SS**  cis-157.5177.530.943.2-19.5000122
18T33.4Very low40.1Very low127 Ų127136.3 Ų136.378%0.77978%0.782SS**  trans62.4156.6151.5400000119.4
19L33.8Very low39.9Very low163 Ų163137.3 Ų137.385%0.85379%0.785SS**  cis-153.1156.8-1-166.9113.9000108.3
20G30.2Very low39.7Very low75 Ų75135.8 Ų135.877%0.77378%0.778SS**  trans-177134.5170.700000114.3
21R34.4Very low39.1Very low236 Ų236137.2 Ų137.289%0.89178%0.779SS**  trans-141.1120-164.1169.4-165.8-178.1171.82.2112
22T33.5Very low38.9Very low137 Ų137137 Ų13784%0.8478%0.777SS**  trans-151.8138155.9-26.50000112.4
23Q39.8Very low39.1Very low163 Ų163135.1 Ų135.176%0.76277%0.766SS**  trans-142151165.5-89.2-73.1-2200105.7
24P46.3Very low39.4Very low122 Ų122139.2 Ų139.279%0.79277%0.771SS**  -147.4160.510435.1-17.7000116.5
25S37.8Very low39.6Very low100 Ų100141 Ų14170%0.69977%0.774SS**  trans-106.1161167.3-172.10000109.7
26P53.5Low39.9Very low118 Ų118144.2 Ų144.277%0.76678%0.777SS**  -146.6139.591.626.9-4.1000115.5
27D40.7Very low40.2Very low139 Ų139140.8 Ų140.874%0.74378%0.775SS**  86.216991.4-152.532.8000113.3
28P56.1Low40.4Very low81 Ų81142.1 Ų142.153%0.52678%0.784SS.*  cis-132.6168.1-23.710.915.5000118.4
29K37.9Very low40.3Very low195 Ų195139.2 Ų139.285%0.84878%0.779SS**  trans69.9158144.8-68157-167167.20122.5
30A36.4Very low40.4Very low80 Ų80141.7 Ų141.766%0.66178%0.783SS**  cis-179.7166-37.700000111.8
31L37.1Very low40.8Very low153 Ų153144 Ų14480%0.80178%0.783SS**  trans9196.1154.2-52.1-176.5000123.3
32L38.1Very low41Very low161 Ų161138.6 Ų138.684%0.84377%0.772SS**  67.2162.4111.6-68.7-164.1000123.8
33P54.3Low41.4Very low93 Ų93139.1 Ų139.160%0.60477%0.766SS**  trans-133.3-164.2-145.742.9-23.5000117.1
34F39.4Very low41.5Very low186 Ų186137.1 Ų137.182%0.81676%0.761SS**  trans82.9135.3174.8-55.9-74.7000117.6
35H38.8Very low41.5Very low202 Ų202138.8 Ų138.894%0.93576%0.758SS**  trans-167.9160.9135.1-93.6-59.7000110.9
36L39.2Very low41.4Very low166 Ų166140.5 Ų140.587%0.86976%0.759SS**  trans-106.4162.6-166.1-70.4150.4000113
37L39.9Very low41.1Very low160 Ų160144.2 Ų144.284%0.83877%0.765SS**  trans-51.4162.5165-79111.5000112.8
38P47.9Very low41.2Very low128 Ų128146.7 Ų146.783%0.83177%0.769SS**  cis-156.8-179.147.243.6-21.9000119.9
39G30.4Very low40.4Very low65 Ų65147.1 Ų147.167%0.6778%0.78SS**  trans125.5105136.700000118.8
40F36.4Very low40.9Very low215 Ų215145.4 Ų145.494%0.94378%0.779SS**  trans-150.5103.8141.2-133.1-88.1000110.6
41T39.2Very low41.3Very low125 Ų125149.3 Ų149.377%0.76779%0.787SS**  trans-78.9162.7161.445.80000108.7
42D39.1Very low41.2Very low121 Ų121147.8 Ų147.865%0.64779%0.789SS**  cis-169157.4-1.415251.3000105.4D44D42-D44 PolarHBondContact OD1-N 3.4Å
43M41.7Very low41.6Very low148 Ų148146.2 Ų146.273%0.72979%0.788SS**  trans178.594.2136.6-94.5-83.675.200110.7
44D41.3Very low40.7Very low122 Ų122147.7 Ų147.765%0.65280%0.8SS**  trans-74155.1161.3-128.3-65.1000111.1D42D42-D44 PolarHBondContact OD1-N 3.4Å
45H47.2Very low41.2Very low157 Ų157148.7 Ų148.773%0.72780%0.804SS**  170.8112.3126.9-85.6-46.4000113.2
46L34.9Very low41Very low136 Ų136142 Ų14271%0.71279%0.79SS**  trans51.2110.8154.3-72.8103.7000119.6
47H46.2Very low41.3Very low195 Ų195142.5 Ų142.590%0.90379%0.793SS**  -147.1143.2103.3-101.1-177.7000112.1
48K43.3Very low41.1Very low192 Ų192141.2 Ų141.284%0.83579%0.791SS**  trans-105.198.1-164.3-177.1-179.9178.2-176.70111.3
49A40.4Very low41Very low90 Ų90139.7 Ų139.774%0.74478%0.784SS**  trans-149.392.316400000107.6I51A49-I51 PolarHBondContact O-N 3.47Å
50L47.4Very low41.4Very low159 Ų159142 Ų14283%0.83279%0.787SS**  60.742.370.4-140.2156.4000113.3
51I44.6Very low42Very low162 Ų162139 Ų13983%0.83178%0.78SS**  trans-133126.5147.9-54.7-178000107.5A49A49-I51 PolarHBondContact O-N 3.47Å
52S35.3Very low42.3Very low120 Ų120140.2 Ų140.284%0.83978%0.775SS**  trans-71140.3-164.6-48.80000115.2
53P47.3Very low43.1Very low128 Ų128145.5 Ų145.583%0.83179%0.786SS**  trans-103.7113.7166.134.6-25.9000111.8
54C34.7Very low44.2Very low125 Ų125143.5 Ų143.585%0.84577%0.773SS**  trans-151.7127.4155.9-157.10000111.6G56C54-G56 PolarHBondContact O-N 3.32Å
55F49.8Very low45.1Very low206 Ų206142.1 Ų142.190%0.90477%0.771SS**  trans-71.491.2177.5-82.1-109.5000110.7
56G34.9Very low46.7Very low62 Ų62136.6 Ų136.664%0.63976%0.756SS**  trans-79.2123.2161.300000110.1C54 T58C54-G56 PolarHBondContact O-N 3.32Å; G56-T58 VanDerWaalsContact C-N 3.28Å; G56-T58 PolarHBondContact O-N 3.01Å
57L45.9Very low49.4Very low177 Ų177132.9 Ų132.993%0.92774%0.741SS**  trans-66.285.8171.1-78.293.1000110.5S59L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 3.19Å
58T35.9Very low51.7Low132 Ų132123.7 Ų123.781%0.8170%0.699SS**  trans-73.588.1164.857.50000108.6G56G56-T58 VanDerWaalsContact C-N 3.28Å; G56-T58 PolarHBondContact O-N 3.01Å
59S44.9Very low54Low97 Ų97119.5 Ų119.568%0.67869%0.694SS**  trans-47122.2166.2-177.80000109L57 L61L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 3.19Å; S59-L61 PolarHBondContact O-N 3.32Å
60P39.6Very low56.5Low112 Ų112117 Ų11773%0.72767%0.669SS**  trans-64.6116.8178.725.9-32.1000107.6K62P60-K62 PolarHBondContact O-N 3.33Å
61L48.9Very low58.7Low153 Ų153110.2 Ų110.280%0.80164%0.635SS**  trans-47.8116174.9-85.580000107.7S59 R63S59-L61 PolarHBondContact O-N 3.32Å; L61-R63 PolarHBondContact O-N 3.45Å
62K45.8Very low61Low151 Ų151113.5 Ų113.566%0.65764%0.637SS**  trans-68.772.3-169.6-160.1-166.9-170.1-166.10110.7P60 K64 E78P60-K62 PolarHBondContact O-N 3.33Å; K62-K64 HydrophobicContact CD-CG 4.09Å; K62-K64 HydrophobicContact CG-CG 4.11Å; K62-K64 PolarHBondContact O-N 3.45Å; K62-E78 IonicContact NZ-OE1 2.78Å; K62-E78 PolarHBondContact NZ-OE1 2.8Å
63R55.8Low63.7Low232 Ų232110.6 Ų110.688%0.87561%0.614SS**  trans-67.280162.6-69.1-165.4-175123.3-1106.7L61L61-R63 PolarHBondContact O-N 3.45Å
64K64.3Low65.9Low106 Ų106114.8 Ų114.846%0.46161%0.613SS.*  trans-48.3135.4173.9-59.1-178.9-172.7-176.20107.5K62 G66 E78K62-K64 HydrophobicContact CD-CG 4.09Å; K62-K64 HydrophobicContact CG-CG 4.11Å; K62-K64 PolarHBondContact O-N 3.45Å; K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 3.18Å; K64-E78 HydrophobicContact CD-CB 4.3Å; K64-E78 HydrophobicContact CD-CG 4.36Å; K64-E78 VanDerWaalsContact CE-OE2 3.28Å; K64-E78 WeakPolarHBondContact CE-OE2 3.47Å; K64-E78 IonicContact NZ-OE2 2.78Å; K64-E78 PolarHBondContact NZ-OE2 3.36Å
65P59.3Low68.8Low93 Ų93110 Ų11060%0.60458%0.578SS**  trans-5892.1173.8-2736.1000111S67P65-S67 PolarHBondContact O-N 2.98Å; P65-S67 VanDerWaalsContact O-N 3.07Å
66G81.7Confident70.7Confident41 Ų41107.8 Ų107.842%0.42358%0.576SS.*  trans-72.78178.500000113K64 R74 F75K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 3.18Å; G66-R74 CarbonylContact O-C 3.58Å; G66-R74 VanDerWaalsContact O-CA 3.24Å; G66-R74 WeakPolarHBondContact O-CA 3.42Å; G66-F75 PolarHBondContact O-N 3.46Å
67S92Very high73.4Confident57 Ų57107.7 Ų107.740%0.39957%0.565SS.*EExtended strand (participates in β ladder)trans-157.5145.7172.260.70000113.4P65 V73 Y85P65-S67 PolarHBondContact O-N 2.98Å; P65-S67 VanDerWaalsContact O-N 3.07Å; S67-V73 CarbonylContact C-O 3.59Å; S67-V73 WeakPolarHBondContact CA-O 3.41Å; S67-V73 VanDerWaalsContact CB-O 3.3Å; S67-V73 WeakPolarHBondContact CB-O 3.44Å; S67-Y85 PolarHBondContact O-OH 3.24Å
68C94.5Very high75.7Confident2 Ų2103.7 Ų103.71%0.01454%0.542CS..EExtended strand (participates in β ladder)trans-84.6119.2167.81710000110C71 R72 V73 F75 H84 Y85 H90C68-C71 HydrophobicContact CB-CB 4.35Å; C68-C71 PolarHBondContact SG-N 3.19Å; C68-C71 VanDerWaalsContact SG-N 3.37Å; C68-R72 WeakPolarHBondContact O-CA 3.35Å; C68-R72 PolarHBondContact O-N 3.01Å; C68-V73 PolarHBondContact N-O 2.78Å; C68-V73 PolarHBondContact O-N 3.31Å; C68-F75 HydrophobicContact CB-CE2 3.74Å; C68-F75 HydrophobicContact CB-CZ 3.68Å; C68-H84 PolarHBondContact SG-NE2 3.42Å; C68-H84 VanDerWaalsContact SG-NE2 3.38Å; C68-Y85 HydrophobicContact CB-CE1 3.94Å; C68-H90 PolarHBondContact SG-CE1 2.98Å; C68-H90 PolarHBondContact SG-ND1 3.3Å; C68-H90 VanDerWaalsContact SG-ND1 3.42Å
69S91.3Very high78.4Confident104 Ų104100.7 Ų100.773%0.72753%0.53SS*.THydrogen-bonded Turntrans-63.5-47.3178.748.70000112.4C71 R72S69-C71 VanDerWaalsContact C-N 3.27Å; S69-C71 PolarHBondContact O-N 3.38Å; S69-R72 PolarHBondContact O-N 3.32Å
70V93.2Very high80.7Confident39 Ų39100.4 Ų100.424%0.23652%0.518CS..THydrogen-bonded Turntrans-57.9-34.8179.5169.40000113R93 L94 L97V70-R93 HydrophobicContact CG1-CB 3.83Å; V70-L94 HydrophobicContact CG1-CD2 4.36Å; V70-L94 HydrophobicContact CG1-CG 4.45Å; V70-L94 HydrophobicContact CG2-CD2 3.81Å; V70-L97 HydrophobicContact CB-CD1 4.31Å; V70-L97 HydrophobicContact CG1-CD1 3.83Å; V70-L97 HydrophobicContact CG2-CD1 4.16Å
71C92.9Very high83.3Confident15 Ų1595.7 Ų95.710%0.10149%0.488CS..THydrogen-bonded Turntrans-106.6-8.8-178.9-640000114.1C68 S69 V73 H84 H90C68-C71 HydrophobicContact CB-CB 4.35Å; C68-C71 PolarHBondContact SG-N 3.19Å; C68-C71 VanDerWaalsContact SG-N 3.37Å; S69-C71 VanDerWaalsContact C-N 3.27Å; S69-C71 PolarHBondContact O-N 3.38Å; C71-V73 HydrophobicContact CB-CB 4.44Å; C71-V73 HydrophobicContact CB-CG2 3.86Å; C71-V73 PolarHBondContact O-N 2.78Å; C71-H84 WeakPolarHBondContact CB-NE2 3.27Å; C71-H84 PolarHBondContact SG-NE2 2.67Å; C71-H90 PolarHBondContact SG-ND1 2.95Å; C71-H90 VanDerWaalsContact SG-ND1 3.44Å
72R92.4Very high85.4Confident231 Ų23191.8 Ų91.887%0.87247%0.474SS*.THydrogen-bonded Turntrans50.726.3-169-58.1-174.3-179.1-175.20.6114.5C68 S69C68-R72 WeakPolarHBondContact O-CA 3.35Å; C68-R72 PolarHBondContact O-N 3.01Å; S69-R72 PolarHBondContact O-N 3.32Å
73V93.1Very high87.8Confident60 Ų6087.9 Ų87.936%0.36447%0.466SS..EExtended strand (participates in β ladder)trans-88.9130.2178.21780000109.3S67 C68 C71 F75S67-V73 CarbonylContact C-O 3.59Å; S67-V73 WeakPolarHBondContact CA-O 3.41Å; S67-V73 VanDerWaalsContact CB-O 3.3Å; S67-V73 WeakPolarHBondContact CB-O 3.44Å; C68-V73 PolarHBondContact N-O 2.78Å; C68-V73 PolarHBondContact O-N 3.31Å; C71-V73 HydrophobicContact CB-CB 4.44Å; C71-V73 HydrophobicContact CB-CG2 3.86Å; C71-V73 PolarHBondContact O-N 2.78Å; V73-F75 HydrophobicContact CB-CE1 4.15Å; V73-F75 HydrophobicContact CB-CZ 4.27Å; V73-F75 HydrophobicContact CG1-CD1 4.07Å; V73-F75 HydrophobicContact CG1-CE1 3.51Å; V73-F75 HydrophobicContact CG1-CZ 4.14Å
74R93.8Very high89.7Confident215 Ų21578.6 Ų78.681%0.81143%0.432SS*.EExtended strand (participates in β ladder)trans-90.2145.9169.6-62.8-169.1174157.40.7110.9G66G66-R74 CarbonylContact O-C 3.58Å; G66-R74 VanDerWaalsContact O-CA 3.24Å; G66-R74 WeakPolarHBondContact O-CA 3.42Å
75F95.5Very high91.2Very high24 Ų2478 Ų7811%0.10543%0.428CS..  trans-115.8137.8-179.9-52.2-58000111.1G66 C68 V73 Q80 A81 H84 Y85G66-F75 PolarHBondContact O-N 3.46Å; C68-F75 HydrophobicContact CB-CE2 3.74Å; C68-F75 HydrophobicContact CB-CZ 3.68Å; V73-F75 HydrophobicContact CB-CE1 4.15Å; V73-F75 HydrophobicContact CB-CZ 4.27Å; V73-F75 HydrophobicContact CG1-CD1 4.07Å; V73-F75 HydrophobicContact CG1-CE1 3.51Å; V73-F75 HydrophobicContact CG1-CZ 4.14Å; F75-Q80 VanDerWaalsContact CA-OE1 3.31Å; F75-Q80 HydrophobicContact CB-CB 4.45Å; F75-Q80 HydrophobicContact CD1-CB 4.43Å; F75-Q80 HydrophobicContact CD1-CG 3.98Å; F75-A81 HydrophobicContact CB-CB 4.11Å; F75-A81 HydrophobicContact CD2-CB 3.48Å; F75-A81 VanDerWaalsContact CD2-CB 3.48Å; F75-A81 HydrophobicContact CE2-CB 4.05Å; F75-A81 HydrophobicContact CG-CB 3.81Å; F75-H84 HydrophobicContact CE1-CB 3.48Å; F75-H84 VanDerWaalsContact CE1-CB 3.48Å; F75-H84 AromaticContact CE1-CG 3.6Å; F75-H84 AromaticContact CE1-ND1 3.85Å; F75-H84 HydrophobicContact CZ-CB 3.5Å; F75-H84 VanDerWaalsContact CZ-CB 3.5Å; F75-H84 AromaticContact CZ-CD2 3.56Å; F75-H84 AromaticContact CZ-CG 3.36Å; F75-H84 AromaticContact CZ-ND1 3.87Å; F75-Y85 HydrophobicContact CE2-CE2 4.12Å
76N89.8Confident93Very high160 Ų16078.5 Ų78.586%0.85643%0.433SS*.SBendtrans-87.2-22.6175-170.4-95.6000112.2
77S91.7Very high93.6Very high60 Ų6077.6 Ų77.642%0.4242%0.424SS..SBendtrans-142.4158.9-178.974.30000113.3A79 Q80 A81S77-A79 VanDerWaalsContact C-N 3.3Å; S77-A79 PolarHBondContact O-N 3.09Å; S77-Q80 WeakPolarHBondContact O-CB 3.12Å; S77-Q80 PolarHBondContact O-N 3.33Å; S77-Q80 PolarHBondContact OG-N 3.18Å; S77-A81 PolarHBondContact O-N 2.82Å; S77-A81 VanDerWaalsContact O-N 3.08Å
78E92.4Very high93.8Very high94 Ų9480.1 Ų80.144%0.43944%0.437SS..Hα-helixtrans-64.7-32.9178.9-168.1161.8-148.200112.2K62 K64 A81 S82K62-E78 IonicContact NZ-OE1 2.78Å; K62-E78 PolarHBondContact NZ-OE1 2.8Å; K64-E78 HydrophobicContact CD-CB 4.3Å; K64-E78 HydrophobicContact CD-CG 4.36Å; K64-E78 VanDerWaalsContact CE-OE2 3.28Å; K64-E78 WeakPolarHBondContact CE-OE2 3.47Å; K64-E78 IonicContact NZ-OE2 2.78Å; K64-E78 PolarHBondContact NZ-OE2 3.36Å; E78-A81 PolarHBondContact O-N 2.74Å; E78-S82 PolarHBondContact O-N 3.27Å; E78-S82 PolarHBondContact O-OG 3.42Å
79A93.4Very high93.7Very high68 Ų6886.6 Ų86.656%0.56246%0.462SS*.Hα-helixtrans-68.9-32.117400000113.1S77 S82 S83S77-A79 VanDerWaalsContact C-N 3.3Å; S77-A79 PolarHBondContact O-N 3.09Å; A79-S82 WeakPolarHBondContact CA-OG 2.91Å; A79-S82 PolarHBondContact O-OG 3.1Å; A79-S83 WeakPolarHBondContact O-CB 3.42Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-S83 PolarHBondContact O-OG 3.03Å
80Q92.9Very high93.9Very high92 Ų9282.1 Ų82.143%0.4343%0.429SS..Hα-helixtrans-73.3-34.9173.9-166.1-177.949.500111.4F75 S77 S83 H84F75-Q80 VanDerWaalsContact CA-OE1 3.31Å; F75-Q80 HydrophobicContact CB-CB 4.45Å; F75-Q80 HydrophobicContact CD1-CB 4.43Å; F75-Q80 HydrophobicContact CD1-CG 3.98Å; S77-Q80 WeakPolarHBondContact O-CB 3.12Å; S77-Q80 PolarHBondContact O-N 3.33Å; S77-Q80 PolarHBondContact OG-N 3.18Å; Q80-S83 PolarHBondContact O-OG 3.28Å; Q80-H84 WeakPolarHBondContact O-CB 3.15Å; Q80-H84 PolarHBondContact O-N 2.78Å
81A95.1Very high94Very high12 Ų1282.3 Ų82.310%0.09943%0.434CS..Hα-helixtrans-66.3-51.217300000111.4F75 S77 E78 S83 H84 Y85F75-A81 HydrophobicContact CB-CB 4.11Å; F75-A81 HydrophobicContact CD2-CB 3.48Å; F75-A81 VanDerWaalsContact CD2-CB 3.48Å; F75-A81 HydrophobicContact CE2-CB 4.05Å; F75-A81 HydrophobicContact CG-CB 3.81Å; S77-A81 PolarHBondContact O-N 2.82Å; S77-A81 VanDerWaalsContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 2.74Å; A81-S83 PolarHBondContact O-N 2.84Å; A81-H84 WeakPolarHBondContact O-CB 3.49Å; A81-H84 PolarHBondContact O-N 3.33Å; A81-H84 VanDerWaalsContact O-N 3.14Å; A81-Y85 HydrophobicContact CB-CD2 4.36Å; A81-Y85 HydrophobicContact CB-CE2 4.06Å; A81-Y85 WeakPolarHBondContact O-CD2 3.42Å; A81-Y85 PolarHBondContact O-N 3.27Å
82S93.2Very high94.1Very high71 Ų7189.3 Ų89.350%0.49746%0.463SS..Hα-helixtrans-60.6-46.7-178.361.60000112.6E78 A79 H84 Y85 S86E78-S82 PolarHBondContact O-N 3.27Å; E78-S82 PolarHBondContact O-OG 3.42Å; A79-S82 WeakPolarHBondContact CA-OG 2.91Å; A79-S82 PolarHBondContact O-OG 3.1Å; S82-H84 VanDerWaalsContact C-N 3.26Å; S82-H84 PolarHBondContact O-N 3.47Å; S82-Y85 PolarHBondContact O-N 3.28Å; S82-S86 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact O-OG 3.09Å
83S95.6Very high94.1Very high69 Ų6984.7 Ų84.748%0.48345%0.446SS..Hα-helixtrans-64.1-27.2176.354.90000113.8A79 Q80 A81 G87A79-S83 WeakPolarHBondContact O-CB 3.42Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-S83 PolarHBondContact O-OG 3.03Å; Q80-S83 PolarHBondContact O-OG 3.28Å; A81-S83 PolarHBondContact O-N 2.84Å; S83-G87 PolarHBondContact O-N 2.88Å
84H96.3Very high94.1Very high38 Ų3885.6 Ų85.618%0.17645%0.448CS..Hα-helixtrans-71.4-48.9169.8-179.297.5000111.8C68 C71 F75 Q80 A81 S82 S86 G87 H90C68-H84 PolarHBondContact SG-NE2 3.42Å; C68-H84 VanDerWaalsContact SG-NE2 3.38Å; C71-H84 WeakPolarHBondContact CB-NE2 3.27Å; C71-H84 PolarHBondContact SG-NE2 2.67Å; F75-H84 HydrophobicContact CE1-CB 3.48Å; F75-H84 VanDerWaalsContact CE1-CB 3.48Å; F75-H84 AromaticContact CE1-CG 3.6Å; F75-H84 AromaticContact CE1-ND1 3.85Å; F75-H84 HydrophobicContact CZ-CB 3.5Å; F75-H84 VanDerWaalsContact CZ-CB 3.5Å; F75-H84 AromaticContact CZ-CD2 3.56Å; F75-H84 AromaticContact CZ-CG 3.36Å; F75-H84 AromaticContact CZ-ND1 3.87Å; Q80-H84 WeakPolarHBondContact O-CB 3.15Å; Q80-H84 PolarHBondContact O-N 2.78Å; A81-H84 WeakPolarHBondContact O-CB 3.49Å; A81-H84 PolarHBondContact O-N 3.33Å; A81-H84 VanDerWaalsContact O-N 3.14Å; S82-H84 VanDerWaalsContact C-N 3.26Å; S82-H84 PolarHBondContact O-N 3.47Å; H84-S86 VanDerWaalsContact C-N 3.33Å; H84-S86 PolarHBondContact O-N 3.26Å; H84-G87 PolarHBondContact O-N 3.21Å; H84-H90 AromaticContact CD2-CG 3.86Å; H84-H90 AromaticContact CD2-ND1 3.81Å; H84-H90 AromaticContact NE2-CG 3.82Å; H84-H90 AromaticContact NE2-ND1 3.44Å; H84-H90 PolarHBondContact NE2-ND1 3.45Å; H84-H90 WeakPolarHBondContact O-CB 3.38Å
85Y96Very high94Very high94 Ų9483.3 Ų83.337%0.36944%0.444SS..Hα-helixtrans-64.6-35.7-177.6-69.2-60.3000112.5S67 C68 F75 A81 S82 G87 H90S67-Y85 PolarHBondContact O-OH 3.24Å; C68-Y85 HydrophobicContact CB-CE1 3.94Å; F75-Y85 HydrophobicContact CE2-CE2 4.12Å; A81-Y85 HydrophobicContact CB-CD2 4.36Å; A81-Y85 HydrophobicContact CB-CE2 4.06Å; A81-Y85 WeakPolarHBondContact O-CD2 3.42Å; A81-Y85 PolarHBondContact O-N 3.27Å; S82-Y85 PolarHBondContact O-N 3.28Å; Y85-G87 PolarHBondContact O-N 3.48Å; Y85-H90 AromaticContact CD1-CD2 3.93Å; Y85-H90 AromaticContact CD1-CE1 3.99Å; Y85-H90 AromaticContact CD1-NE2 3.5Å; Y85-H90 WeakPolarHBondContact CD1-NE2 3.41Å; Y85-H90 PolarHBondContact O-CD2 3.28Å
86S95.3Very high93.7Very high102 Ų10285.7 Ų85.771%0.71347%0.468SS*.THydrogen-bonded Turntrans-79.3-1.1171.869.30000114S82 H84S82-S86 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact O-OG 3.09Å; H84-S86 VanDerWaalsContact C-N 3.33Å; H84-S86 PolarHBondContact O-N 3.26Å
87G95.7Very high93.5Very high23 Ų2383.7 Ų83.724%0.23746%0.457CS..SBendtrans-81.1137.6-173.400000113.5S83 H84 Y85 R89 H90 A91S83-G87 PolarHBondContact O-N 2.88Å; H84-G87 PolarHBondContact O-N 3.21Å; Y85-G87 PolarHBondContact O-N 3.48Å; G87-R89 PolarHBondContact O-N 3.22Å; G87-R89 VanDerWaalsContact O-N 3.1Å; G87-H90 WeakPolarHBondContact O-CB 3.33Å; G87-H90 PolarHBondContact O-N 3.38Å; G87-A91 PolarHBondContact O-N 3.13Å
88T95.2Very high92.8Very high110 Ų11087.7 Ų87.768%0.67547%0.473SS*.Hα-helixtrans-55.5-31.4178.657.70000113.6K92T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.29Å
89R93.1Very high91.9Very high138 Ų13886.2 Ų86.252%0.52148%0.478SS..Hα-helixtrans-66-37.8174.5-68.3-176.8174.6-166.1-4.1112.9G87 R93 Q125G87-R89 PolarHBondContact O-N 3.22Å; G87-R89 VanDerWaalsContact O-N 3.1Å; R89-R93 PolarHBondContact O-N 3.03Å; R89-Q125 VanDerWaalsContact NH1-CD 3.33Å
90H95.8Very high90.4Very high10 Ų1088.4 Ų88.45%0.04649%0.486CS..Hα-helixtrans-73.2-45.5176.1-178.764.8000110.6C68 C71 H84 Y85 G87 K92 R93 L94C68-H90 PolarHBondContact SG-CE1 2.98Å; C68-H90 PolarHBondContact SG-ND1 3.3Å; C68-H90 VanDerWaalsContact SG-ND1 3.42Å; C71-H90 PolarHBondContact SG-ND1 2.95Å; C71-H90 VanDerWaalsContact SG-ND1 3.44Å; H84-H90 AromaticContact CD2-CG 3.86Å; H84-H90 AromaticContact CD2-ND1 3.81Å; H84-H90 AromaticContact NE2-CG 3.82Å; H84-H90 AromaticContact NE2-ND1 3.44Å; H84-H90 PolarHBondContact NE2-ND1 3.45Å; H84-H90 WeakPolarHBondContact O-CB 3.38Å; Y85-H90 AromaticContact CD1-CD2 3.93Å; Y85-H90 AromaticContact CD1-CE1 3.99Å; Y85-H90 AromaticContact CD1-NE2 3.5Å; Y85-H90 WeakPolarHBondContact CD1-NE2 3.41Å; Y85-H90 PolarHBondContact O-CD2 3.28Å; G87-H90 WeakPolarHBondContact O-CB 3.33Å; G87-H90 PolarHBondContact O-N 3.38Å; H90-K92 VanDerWaalsContact C-N 3.32Å; H90-K92 PolarHBondContact O-N 3.25Å; H90-R93 PolarHBondContact O-N 3.45Å; H90-L94 VanDerWaalsContact NE2-CD1 3.33Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.4Å; H90-L94 PolarHBondContact O-N 3.47Å
91A94.5Very high88.4Confident42 Ų4291.5 Ų91.535%0.34751%0.506SS..Hα-helixtrans-57.6-40.3175.800000113.2G87 L94 K95G87-A91 PolarHBondContact O-N 3.13Å; A91-L94 PolarHBondContact O-N 3.22Å; A91-K95 WeakPolarHBondContact O-CG 3.38Å; A91-K95 PolarHBondContact O-N 3.3Å; A91-K95 VanDerWaalsContact O-N 3.16Å
92K94.8Very high86.2Confident162 Ų16295.2 Ų95.270%0.70453%0.531SS*.Hα-helixtrans-63.5-39.5174.1-76.6-179.9179.6-172.60112.6T88 H90 A96T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 3.29Å; H90-K92 VanDerWaalsContact C-N 3.32Å; H90-K92 PolarHBondContact O-N 3.25Å; K92-A96 PolarHBondContact O-N 3.38Å
93R92.6Very high84Confident135 Ų135100.7 Ų100.751%0.50955%0.545SS..Hα-helixtrans-72.3-37.9176.5-80.4-173.7170.3-176.2-3.5113.2V70 R89 H90 A96 L97V70-R93 HydrophobicContact CG1-CB 3.83Å; R89-R93 PolarHBondContact O-N 3.03Å; H90-R93 PolarHBondContact O-N 3.45Å; R93-A96 PolarHBondContact O-N 3.39Å; R93-L97 WeakPolarHBondContact O-CG 3.48Å; R93-L97 PolarHBondContact O-N 3.25Å
94L93.1Very high81.9Confident78 Ų78105.4 Ų105.441%0.40856%0.564SS.*Hα-helixtrans-56.4-52.5173-81.5172.5000110.9V70 H90 A91 A96 L97 D98V70-L94 HydrophobicContact CG1-CD2 4.36Å; V70-L94 HydrophobicContact CG1-CG 4.45Å; V70-L94 HydrophobicContact CG2-CD2 3.81Å; H90-L94 VanDerWaalsContact NE2-CD1 3.33Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.4Å; H90-L94 PolarHBondContact O-N 3.47Å; A91-L94 PolarHBondContact O-N 3.22Å; L94-A96 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-D98 PolarHBondContact O-N 3.05Å
95K91.1Very high79.1Confident168 Ų168111.9 Ų111.973%0.7359%0.591SS**Hα-helixtrans-60.8-28.7179.3-68.9-179.9178-165.80113.9A91A91-K95 WeakPolarHBondContact O-CG 3.38Å; A91-K95 PolarHBondContact O-N 3.3Å; A91-K95 VanDerWaalsContact O-N 3.16Å
96A89.4Confident76.3Confident74 Ų74112.5 Ų112.561%0.61261%0.605SS**Hα-helixtrans-78.2-19.6176.200000113.8K92 R93 L94K92-A96 PolarHBondContact O-N 3.38Å; R93-A96 PolarHBondContact O-N 3.39Å; L94-A96 PolarHBondContact O-N 3.36Å
97L85.5Confident73.4Confident118 Ų118116.3 Ų116.362%0.61861%0.609SS**Hα-helixtrans-97.7-17.5175.8-65.2-179.9000113.4V70 R93 L94 A99V70-L97 HydrophobicContact CB-CD1 4.31Å; V70-L97 HydrophobicContact CG1-CD1 3.83Å; V70-L97 HydrophobicContact CG2-CD1 4.16Å; R93-L97 WeakPolarHBondContact O-CG 3.48Å; R93-L97 PolarHBondContact O-N 3.25Å; L94-L97 PolarHBondContact O-N 3.47Å; L97-A99 VanDerWaalsContact C-N 3.3Å
98D78.8Confident70.6Confident143 Ų143123.1 Ų123.177%0.76563%0.634SS**SBendtrans-79.1-14.5177.4-156.2-123000112.5L94L94-D98 PolarHBondContact O-N 3.05Å
99A73.6Confident67.9Low64 Ų64123.2 Ų123.253%0.52964%0.637SS.*SBendtrans-66.6123165.500000109.1L97 D101L97-A99 VanDerWaalsContact C-N 3.3Å; A99-D101 PolarHBondContact O-N 3.33Å
100P60.3Low64.9Low114 Ų114122.7 Ų122.774%0.7465%0.649SS**  trans-74.1101.8-161.327.2-35.9000113.4S102P100-S102 VanDerWaalsContact C-N 3.34Å; P100-S102 PolarHBondContact O-N 2.98Å
101D51.6Low62Low157 Ų157128.2 Ų128.284%0.8468%0.683SS**  trans-69.294.2160-161.3-51000109.1A99 K103A99-D101 PolarHBondContact O-N 3.33Å; D101-K103 PolarHBondContact O-N 3.08Å
102S49.8Very low59.3Low89 Ų89135.3 Ų135.362%0.62271%0.707SS**  trans-100.971.5-173.549.20000111.6P100P100-S102 VanDerWaalsContact C-N 3.34Å; P100-S102 PolarHBondContact O-N 2.98Å
103K46.8Very low56.5Low186 Ų186136.5 Ų136.581%0.80972%0.715SS**  trans-172.1106.9142.4-92.9135.4-144-65.30111.9D101 K105D101-K103 PolarHBondContact O-N 3.08Å; K103-K105 PolarHBondContact O-N 2.9Å
104I50.2Low53.6Low169 Ų169136.3 Ų136.387%0.86773%0.728SS**  trans-65.3125.4162-62.2167.4000108.6
105K38Very low50.8Low173 Ų173138.4 Ų138.475%0.75275%0.745SS**  trans-141.9108.9151.7-166.8157.4-175173.90112.2K103 F107K103-K105 PolarHBondContact O-N 2.9Å; K105-F107 HydrophobicContact CD-CE2 4.47Å; K105-F107 HydrophobicContact CG-CE2 4.4Å
106T37.2Very low48.2Very low107 Ų107135 Ų13566%0.65674%0.742SS**  trans-44.4136.6165.2-510000113
107F33.5Very low45.8Very low183 Ų183139.3 Ų139.380%0.80375%0.75SS**  trans-147.2132.7146.7-90.8-71.7000111K105K105-F107 HydrophobicContact CD-CE2 4.47Å; K105-F107 HydrophobicContact CG-CE2 4.4Å
108E38.8Very low43.3Very low165 Ų165140 Ų14077%0.77175%0.752SS**  trans-77.5162.2175.7-82-71.8115.600111.9
109P36.7Very low41Very low113 Ų113140.3 Ų140.373%0.73475%0.754SS**  trans-84.6137.3-172.733.4-33.3000113.2
110V30.4Very low38.8Very low127 Ų127143 Ų14377%0.7777%0.768SS**  trans-125.3129.8166.9173.70000109.8
111T36.2Very low37.6Very low125 Ų125143.3 Ų143.377%0.76777%0.773SS**  trans-72.1137.1178.846.50000112.6
112K38Very low36.6Very low192 Ų192141.2 Ų141.284%0.83577%0.771SS**  trans-179.9149.4133.352.9-156.883.1177.50111.4
113E34.8Very low35.5Very low187 Ų187143 Ų14387%0.87478%0.782SS**  trans-76.1156.3-172.4-56.1-17994.500113.6
114T31Very low35Very low130 Ų130139.9 Ų139.980%0.79878%0.784SS**  177.3119123.3-74.40000111.1
115T35.3Very low34.7Very low122 Ų122138.8 Ų138.875%0.74878%0.775SS**  trans28.6118.3143.8-54.20000121
116S37.3Very low34.7Very low97 Ų97136 Ų13668%0.67878%0.775SS**  trans88.6120.3144.8-76.40000122.4
117Q37.3Very low34.9Very low164 Ų164136.9 Ų136.977%0.76679%0.785SS**  trans109.396.5131.2-79.7-172.474.700122.6
118I34.3Very low34.8Very low132 Ų132131.3 Ų131.368%0.67778%0.779SS**  trans79.3140.9134.5-33.3169.9000120.9
119L31Very low34.8Very low151 Ų151128.1 Ų128.179%0.79178%0.775SS**  trans87.9105.4159-72.1118.2000119.9
120S27Very low34.6Very low119 Ų119129.2 Ų129.283%0.83278%0.775SS**  -169.6106.1103-83.30000115.1
121S34Very low34.7Very low121 Ų121129 Ų12985%0.84677%0.774SS**  trans32.7130.6146.4-1400000123.5
122S30.2Very low34.2Very low114 Ų114129.1 Ų129.180%0.79777%0.774SS**  trans-66.1155173.7-67.30000115.2
123C27.1Very low33.9Very low126 Ų126124.8 Ų124.885%0.85177%0.768SS**  trans-57140.5162.9-71.60000112.7
124S36.9Very low33.6Very low121 Ų121125.5 Ų125.585%0.84677%0.772SS**  trans-141.3140.7144.8-82.40000110.2
125Q44.8Very low33.5Very low145 Ų145126.7 Ų126.768%0.67877%0.773SS**  trans-79.3158176.1-56.6-173.73.700110.2R89R89-Q125 VanDerWaalsContact NH1-CD 3.33Å
126P36.2Very low34Very low115 Ų115125.5 Ų125.575%0.74777%0.768SS**  trans-111.3153.4147.132.2-23.9000112.3
127S41.3Very low33.5Very low126 Ų126126 Ų12688%0.88177%0.771SS**  trans-136.2145.4168.8-173.70000108.1
128G33.3Very low33.2Very low66 Ų66122.8 Ų122.868%0.6877%0.773SS**  trans152153.2179.200000110.3
129S37.1Very low33.6Very low97 Ų97123 Ų12368%0.67878%0.782SS**  cis-170.2-163.3-12.642.60000108.4
130D32.9Very low33.5Very low137 Ų137122.2 Ų122.273%0.73378%0.779SS**  trans93.2142.7156.5-49.1-12.1000117.1
131T33.7Very low33.5Very low121 Ų121121 Ų12174%0.74277%0.77SS**  cis-167.5179.5-8.220.80000110.5
132T24.6Very low33.3Very low128 Ų128120.4 Ų120.479%0.78576%0.762SS**  trans103.1138.5154.5-42.40000116.6
133S31.1Very low33.4Very low101 Ų101119.4 Ų119.471%0.70676%0.755SS**  cis-168.8168.4-30-83.60000110.5
134E29.2Very low33.6Very low203 Ų203120.2 Ų120.295%0.94975%0.751SS**  trans89.7157.4158.1-46.7-157.6109.700121.8
135D28Very low33.3Very low154 Ų154119.4 Ų119.482%0.82474%0.741SS**  trans-103.1-164.4-149-150.229.5000113.2
136P46.3Very low32.5Very low97 Ų97118.3 Ų118.363%0.6374%0.744SS**  cis-131166.6-12.821.23.6000117.9
137S26.4Very low32.3Very low107 Ų107117.5 Ų117.575%0.74874%0.741SS**  146.4126.1123.3-65.10000117.8
138A31.1Very low31.8Very low98 Ų98120 Ų12081%0.8174%0.744SS**  trans56.2142.7137.800000121
139P43.4Very low31.8Very low135 Ų135122.9 Ų122.988%0.87775%0.754SS**  -142.4-178.857.139.1-18.6000118.1
140N28.3Very low31.4Very low136 Ų136122 Ų12273%0.72776%0.76SS**  trans-95.4149.7-168.9160.478.4000114.9
141S27.5Very low31.2Very low92 Ų92119.5 Ų119.564%0.64377%0.767SS**  trans164115.6136.6-104.70000111.5
142T29.2Very low31Very low109 Ų109122 Ų12267%0.66977%0.774SS**  59.7124.588.662.90000114.1
143S33.1Very low31.3Very low93 Ų93119.8 Ų119.865%0.6577%0.769SS**  cis-159.6178.65.4-74.30000111.5
144D30.9Very low31.2Very low144 Ų144123.3 Ų123.377%0.7778%0.775SS**  trans89.2136.3142.6-75.3-46.2000120.3
145T30Very low31.2Very low103 Ų103119.6 Ų119.663%0.63277%0.766SS**  cis-155.5154.3-19.8-31.40000108.1
146T29.8Very low31.2Very low122 Ų122116.8 Ų116.875%0.74876%0.755SS**  trans30.2147.4152.850.50000122.8
147S30.7Very low30.5Very low98 Ų98121.3 Ų121.369%0.68576%0.764SS**  cis179.9173.7-9.3-96.20000109.4
148L30.5Very low30.6Very low179 Ų179123 Ų12394%0.93776%0.761SS**  trans96.2153.1162.7-60.4168.8000117.4
149S33.4Very low31.1Very low127 Ų127123.8 Ų123.889%0.88876%0.757SS**  trans-148.7162.3-142.2179.80000111.3
150G28.5Very low30.4Very low78 Ų78121.4 Ų121.480%0.80474%0.74SS**  trans114.6138.8155.500000115.4
151G28.6Very low30.5Very low85 Ų85121.5 Ų121.588%0.87674%0.741SS**  trans154.470.6172.700000114.6
152L30.8Very low30.7Very low172 Ų172124.7 Ų124.790%0.90175%0.745SS**  trans-85.5158.4169.1176.766.9000110.8
153A30.6Very low30.6Very low82 Ų82124.9 Ų124.968%0.67875%0.751SS**  trans115.3106.5165.800000112.1
154E29.3Very low30.7Very low176 Ų176128.5 Ų128.582%0.82276%0.762SS**  86.7149.864.4-85.1-142.494.400114.1
155T28.4Very low31.1Very low124 Ų124127.4 Ų127.476%0.76176%0.763SS**  trans75.8132.9164.5-90.40000116.2
156T27.7Very low31Very low96 Ų96127.1 Ų127.159%0.58977%0.771SS**  cis-174.6163.6-2.1-108.10000110.9
157K32.1Very low31.1Very low192 Ų192126.9 Ų126.984%0.83577%0.774SS**  trans77.2102.2162.7-83.2154-156.3173.30120.7
158E29.9Very low31.5Very low143 Ų143128.4 Ų128.467%0.66878%0.782SS**  -61.2159.5128.4-140.2-152.8113.400110T160E158-T160 WeakPolarHBondContact OE1-CB 3.32Å; E158-T160 PolarHBondContact OE1-N 2.8Å; E158-T160 PolarHBondContact OE1-OG1 3.35Å
159P40.1Very low31.7Very low114 Ų114130.7 Ų130.774%0.7478%0.778SS**  -144.6138.275.334.3-14.7000117.2
160T28.4Very low31.4Very low85 Ų85131 Ų13152%0.52178%0.775SS.*  trans27.6119130.5-6.30000120.2E158E158-T160 WeakPolarHBondContact OE1-CB 3.32Å; E158-T160 PolarHBondContact OE1-N 2.8Å; E158-T160 PolarHBondContact OE1-OG1 3.35Å
161N31.6Very low31.9Very low137 Ų137131.3 Ų131.373%0.73377%0.769SS**  169.8151.2103-91.9-63.2000116.4
162H30.4Very low32.1Very low159 Ų159136 Ų13674%0.73677%0.768SS**  trans-50141.7-177.3-46-81.2000118.8
163S28.2Very low32.4Very low114 Ų114135.1 Ų135.180%0.79776%0.757SS**  167.3144.3102.5-730000114.1
164L35.5Very low32.4Very low169 Ų169137.4 Ų137.489%0.88576%0.758SS**  trans-80153.4158.4-62.6170.3000109
165P38Very low32.6Very low121 Ų121132.6 Ų132.679%0.78676%0.756SS**  -151.5163.692.638.3-20.5000117.4
166A28.5Very low33Very low97 Ų97136.4 Ų136.480%0.80277%0.765SS**  trans56.3124.5146.900000122.1
167S32.8Very low33.2Very low116 Ų116136.3 Ų136.381%0.81177%0.774SS**  trans-73.2158.9160.2-45.60000112.4
168P38.6Very low33.4Very low130 Ų130135.3 Ų135.384%0.84477%0.772SS**  -133.5176.4111.217.43.4000114.3
169R33.6Very low33.5Very low228 Ų228134.4 Ų134.486%0.8678%0.777SS**  trans-88.8151.4-174.2-55.1171.3172.8-149.6-3.4111.9
170T27.7Very low33.5Very low133 Ų133135 Ų13582%0.81678%0.781SS**  167.7139101.440.50000114.4
171A38.5Very low33.9Very low84 Ų84137.4 Ų137.469%0.69479%0.79SS**  trans65110.9136.900000122.7
172E33.8Very low34.4Very low183 Ų183138.7 Ų138.786%0.85579%0.792SS**  trans57.2151.9141-27.8-163.9155.400119.3
173K36.6Very low35Very low154 Ų154137.1 Ų137.167%0.6779%0.785SS**  cis-164.4158.95.4-147.7176.2153-82.60110.7
174D31.8Very low36.5Very low131 Ų131135.7 Ų135.770%0.70177%0.772SS**  trans84.2137.3151.4-60.7-43000123.2
175G32.8Very low37.7Very low75 Ų75133.8 Ų133.877%0.77376%0.758SS**  trans96.879.7164.800000116.3
176E36.5Very low39Very low203 Ų203133.5 Ų133.595%0.94975%0.746SS**  80.896.776.6-170.5151.797.100115.7
177A32.5Very low40.7Very low94 Ų94132.3 Ų132.378%0.77772%0.724SS**  trans-163.8113.3152.300000111.2
178E35.4Very low42.4Very low172 Ų172133.4 Ų133.480%0.80471%0.714SS**  trans36.996.2149.2-63.9-64.2112.900120
179T32.7Very low43.4Very low123 Ų123127.5 Ų127.576%0.75568%0.676SS**  -176.5121119.324.90000110.5D181T179-D181 PolarHBondContact O-N 2.81Å; T179-D181 VanDerWaalsContact O-N 3.08Å
180P39.5Very low45Very low128 Ų128121.5 Ų121.583%0.83166%0.656SS**  trans-83.567.3164.934.9-31.9000108.8Q182P180-Q182 PolarHBondContact O-N 3.21Å
181D35.8Very low46.9Very low134 Ų134122.2 Ų122.272%0.71764%0.644SS**  trans-65.8123.7174.5-150.5-54.1000108.8T179 E183T179-D181 PolarHBondContact O-N 2.81Å; T179-D181 VanDerWaalsContact O-N 3.08Å; D181-E183 PolarHBondContact O-N 3.4Å
182Q43.6Very low48.7Very low164 Ų164123.7 Ų123.777%0.76664%0.64SS**  trans-80.468.7-173.3-172175.764.500108.1P180 T184P180-Q182 PolarHBondContact O-N 3.21Å; Q182-T184 VanDerWaalsContact C-N 3.27Å; Q182-T184 WeakPolarHBondContact O-CA 3.5Å; Q182-T184 PolarHBondContact O-N 3.29Å; Q182-T184 PolarHBondContact O-OG1 3.07Å
183E43.5Very low51.3Low127 Ų127116.9 Ų116.959%0.59361%0.609SS**  trans-49.294.1175.5-85.9-153.9147.400108.2D181 R191D181-E183 PolarHBondContact O-N 3.4Å; E183-R191 IonicContact OE1-CZ 2.72Å; E183-R191 IonicContact OE1-NH1 3.09Å; E183-R191 PolarHBondContact OE1-NH1 2.6Å; E183-R191 IonicContact OE1-NH2 2.91Å; E183-R191 PolarHBondContact OE1-NH2 3.11Å; E183-R191 IonicContact OE2-NH1 3.33Å
184T58Low54Low84 Ų84113.3 Ų113.352%0.51559%0.592SS.*  trans-75.6149.3-163.5-29.80000107.6Q182 E186 E187Q182-T184 VanDerWaalsContact C-N 3.27Å; Q182-T184 WeakPolarHBondContact O-CA 3.5Å; Q182-T184 PolarHBondContact O-N 3.29Å; Q182-T184 PolarHBondContact O-OG1 3.07Å; T184-E186 PolarHBondContact O-N 2.67Å; T184-E187 PolarHBondContact O-N 3.43Å
185E61.6Low56.9Low129 Ų129107.3 Ų107.360%0.60356%0.56SS**Hα-helixtrans-54.3-25.9-179.2-164.9-91.8161.700112.2K188 A189E185-K188 PolarHBondContact O-N 3.5Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.04Å
186E65.1Low59.6Low114 Ų114106.6 Ų106.653%0.53354%0.543SS..Hα-helixtrans-61-36.6170.2-160.9-171.613300115T184 A189 K190T184-E186 PolarHBondContact O-N 2.67Å; E186-A189 PolarHBondContact O-N 3.42Å; E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.06Å; E186-K190 PolarHBondContact O-N 3.04Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 3.68Å; E186-K190 PolarHBondContact OE1-NZ 3.3Å
187E64.4Low62.1Low73 Ų7399.6 Ų99.634%0.34151%0.512SS..Hα-helixtrans-74-39.1177.5-149.4-136.9135.700111.3T184 A189 K190 R191T184-E187 PolarHBondContact O-N 3.43Å; E187-A189 VanDerWaalsContact C-N 3.29Å; E187-A189 PolarHBondContact O-N 3.08Å; E187-K190 WeakPolarHBondContact O-CB 3.08Å; E187-K190 PolarHBondContact O-N 2.85Å; E187-K190 VanDerWaalsContact O-N 3.15Å; E187-R191 WeakPolarHBondContact O-CG 3.18Å; E187-R191 PolarHBondContact O-N 3.05Å; E187-R191 IonicContact OE1-CZ 3.79Å; E187-R191 IonicContact OE1-NE 3.66Å; E187-R191 PolarHBondContact OE1-NE 3.28Å; E187-R191 IonicContact OE1-NH2 2.73Å; E187-R191 PolarHBondContact OE1-NH2 3.39Å; E187-R191 IonicContact OE2-CZ 2.83Å; E187-R191 IonicContact OE2-NH2 3.73Å; E187-R191 PolarHBondContact OE2-NH2 2.82Å
188K67.3Low64.8Low139 Ų13997 Ų9760%0.60449%0.488SS*.Hα-helixtrans-61.1-39.2168.8-171.9174.4-178.81750111.3E185 R191 L192E185-K188 PolarHBondContact O-N 3.5Å; K188-R191 PolarHBondContact O-N 3.34Å; K188-L192 HydrophobicContact CG-CD1 4.09Å; K188-L192 WeakPolarHBondContact O-CB 3.41Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å; K188-L192 PolarHBondContact O-N 2.86Å
189A61.1Low67.4Low6 Ų696.8 Ų96.85%0.0548%0.484CS..Hα-helixtrans-64.7-37.9173.100000112.4E185 E186 E187 L192 L193 Y194E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.04Å; E186-A189 PolarHBondContact O-N 3.42Å; E187-A189 VanDerWaalsContact C-N 3.29Å; E187-A189 PolarHBondContact O-N 3.08Å; A189-L192 CarbonylContact O-C 3.46Å; A189-L192 PolarHBondContact O-N 3.16Å; A189-L193 PolarHBondContact O-N 2.71Å; A189-Y194 HydrophobicContact CB-CD1 4.41Å; A189-Y194 PolarHBondContact O-N 3.1Å
190K67.3Low70.2Confident101 Ų10193.8 Ų93.844%0.43947%0.466SS..Hα-helixtrans-64.1-44.9171.6-72.4162.5-172160.40111.8E186 E187 L192 L193E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.06Å; E186-K190 PolarHBondContact O-N 3.04Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 3.68Å; E186-K190 PolarHBondContact OE1-NZ 3.3Å; E187-K190 WeakPolarHBondContact O-CB 3.08Å; E187-K190 PolarHBondContact O-N 2.85Å; E187-K190 VanDerWaalsContact O-N 3.15Å; K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 3.3Å; K190-L193 PolarHBondContact O-N 2.99Å; K190-L193 VanDerWaalsContact O-N 3.11Å
191R68Low72.6Confident149 Ų14991.1 Ų91.156%0.56245%0.454SS*.Hα-helixtrans-62.1-33.8174.1-66.9177.7-170.3167.43.3112E183 E187 K188E183-R191 IonicContact OE1-CZ 2.72Å; E183-R191 IonicContact OE1-NH1 3.09Å; E183-R191 PolarHBondContact OE1-NH1 2.6Å; E183-R191 IonicContact OE1-NH2 2.91Å; E183-R191 PolarHBondContact OE1-NH2 3.11Å; E183-R191 IonicContact OE2-NH1 3.33Å; E187-R191 WeakPolarHBondContact O-CG 3.18Å; E187-R191 PolarHBondContact O-N 3.05Å; E187-R191 IonicContact OE1-CZ 3.79Å; E187-R191 IonicContact OE1-NE 3.66Å; E187-R191 PolarHBondContact OE1-NE 3.28Å; E187-R191 IonicContact OE1-NH2 2.73Å; E187-R191 PolarHBondContact OE1-NH2 3.39Å; E187-R191 IonicContact OE2-CZ 2.83Å; E187-R191 IonicContact OE2-NH2 3.73Å; E187-R191 PolarHBondContact OE2-NH2 2.82Å; K188-R191 PolarHBondContact O-N 3.34Å
192L75.9Confident75.3Confident115 Ų11586.4 Ų86.460%0.60243%0.43SS*.THydrogen-bonded Turntrans-87.64.2174.9-68.4173.1000114.5K188 A189 K190 Y194K188-L192 HydrophobicContact CG-CD1 4.09Å; K188-L192 WeakPolarHBondContact O-CB 3.41Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å; K188-L192 PolarHBondContact O-N 2.86Å; A189-L192 CarbonylContact O-C 3.46Å; A189-L192 PolarHBondContact O-N 3.16Å; K190-L192 VanDerWaalsContact C-N 3.28Å; K190-L192 PolarHBondContact O-N 3.3Å; L192-Y194 PolarHBondContact O-N 2.88Å
193L88.9Confident77.5Confident40 Ų4084.8 Ų84.821%0.20943%0.427CS..THydrogen-bonded Turntrans53.935.6180-55177.4000113.5A189 K190 A201 V202 N203 S204 A205A189-L193 PolarHBondContact O-N 2.71Å; K190-L193 PolarHBondContact O-N 2.99Å; K190-L193 VanDerWaalsContact O-N 3.11Å; L193-A201 WeakPolarHBondContact O-CA 3.37Å; L193-V202 HydrophobicContact CB-CG2 4.34Å; L193-V202 WeakPolarHBondContact CB-O 3.4Å; L193-V202 WeakPolarHBondContact O-CG2 3.33Å; L193-V202 PolarHBondContact O-N 3.07Å; L193-N203 WeakPolarHBondContact CD1-O 3.24Å; L193-S204 VanDerWaalsContact CD2-C 3.48Å; L193-A205 VanDerWaalsContact CD2-CA 3.48Å; L193-A205 HydrophobicContact CD2-CB 3.96Å; L193-A205 VanDerWaalsContact CD2-N 3.25Å
194Y92.9Very high79.8Confident79 Ų7980.2 Ų80.231%0.3141%0.409SS..EExtended strand (participates in β ladder)trans-114.6136.6-170.5176.5-107.9000112.4A189 L192 K199 A201A189-Y194 HydrophobicContact CB-CD1 4.41Å; A189-Y194 PolarHBondContact O-N 3.1Å; L192-Y194 PolarHBondContact O-N 2.88Å; Y194-K199 WeakPolarHBondContact OH-CA 3.3Å; Y194-A201 HydrophobicContact CD2-CB 4.22Å
195C92.2Very high81.3Confident4 Ų479.5 Ų79.53%0.02741%0.411CS..EExtended strand (participates in β ladder)trans-99.6110.7172.3-179.70000110.3L197 C198 K199 V200 L208 H211 H217C195-L197 PolarHBondContact O-N 3.12Å; C195-C198 HydrophobicContact CB-CB 4.42Å; C195-C198 PolarHBondContact SG-N 3.09Å; C195-C198 VanDerWaalsContact SG-N 3.43Å; C195-K199 WeakPolarHBondContact O-CA 3.43Å; C195-K199 PolarHBondContact O-N 2.83Å; C195-V200 PolarHBondContact N-O 3.3Å; C195-V200 PolarHBondContact O-N 3.21Å; C195-L208 HydrophobicContact CB-CD1 3.91Å; C195-H211 PolarHBondContact SG-NE2 2.97Å; C195-H211 VanDerWaalsContact SG-NE2 3.37Å; C195-H217 PolarHBondContact SG-CE1 3.38Å; C195-H217 PolarHBondContact SG-ND1 2.97Å
196S88.8Confident82.8Confident60 Ų6077.1 Ų77.142%0.4241%0.409SS..THydrogen-bonded Turntrans-65.2-35.2178.857.50000113.6
197L89.3Confident84.1Confident56 Ų5675.9 Ų75.929%0.29340%0.404SS..THydrogen-bonded Turntrans-70.4-39.6-179.8-61.9-174.8000113.2C195 L221C195-L197 PolarHBondContact O-N 3.12Å; L197-L221 HydrophobicContact CD1-CB 3.84Å; L197-L221 HydrophobicContact CD1-CD1 3.77Å; L197-L221 HydrophobicContact CD1-CG 3.69Å
198C89.7Confident85.4Confident41 Ų4172.8 Ų72.828%0.27739%0.389SS..THydrogen-bonded Turntrans-98.7-9.5-179.3-630000113.6C195 V200 H211C195-C198 HydrophobicContact CB-CB 4.42Å; C195-C198 PolarHBondContact SG-N 3.09Å; C195-C198 VanDerWaalsContact SG-N 3.43Å; C198-V200 VanDerWaalsContact C-N 3.32Å; C198-V200 HydrophobicContact CB-CG2 4.16Å; C198-V200 PolarHBondContact O-N 3.33Å; C198-H211 WeakPolarHBondContact CB-NE2 3.34Å; C198-H211 PolarHBondContact SG-NE2 3.13Å; C198-H211 VanDerWaalsContact SG-NE2 3.42Å
199K90.6Very high86.6Confident166 Ų16673.1 Ų73.172%0.72239%0.393SS*.THydrogen-bonded Turntrans55.241.5-173.8-54.7-173.7179.5-176.50113.6Y194 C195Y194-K199 WeakPolarHBondContact OH-CA 3.3Å; C195-K199 WeakPolarHBondContact O-CA 3.43Å; C195-K199 PolarHBondContact O-N 2.83Å
200V89.9Confident88.2Confident61 Ų6175.7 Ų75.737%0.3741%0.414SS..EExtended strand (participates in β ladder)trans-118.9126.6-179.4-177.70000109.9C195 C198 V202C195-V200 PolarHBondContact N-O 3.3Å; C195-V200 PolarHBondContact O-N 3.21Å; C198-V200 VanDerWaalsContact C-N 3.32Å; C198-V200 HydrophobicContact CB-CG2 4.16Å; C198-V200 PolarHBondContact O-N 3.33Å; V200-V202 HydrophobicContact CG1-CG1 4.01Å
201A91.2Very high89.5Confident71 Ų7173.1 Ų73.159%0.58740%0.404SS*.EExtended strand (participates in β ladder)trans-90.4138.8163.400000109.8L193 Y194L193-A201 WeakPolarHBondContact O-CA 3.37Å; Y194-A201 HydrophobicContact CD2-CB 4.22Å
202V91.6Very high90.6Very high35 Ų3569 Ų6921%0.21239%0.392CS..  trans-123.5171.2178.3-62.80000110.8L193 V200 Q207 L208L193-V202 HydrophobicContact CB-CG2 4.34Å; L193-V202 WeakPolarHBondContact CB-O 3.4Å; L193-V202 WeakPolarHBondContact O-CG2 3.33Å; L193-V202 PolarHBondContact O-N 3.07Å; V200-V202 HydrophobicContact CG1-CG1 4.01Å; V202-Q207 HydrophobicContact CB-CB 3.97Å; V202-Q207 HydrophobicContact CG2-CB 3.93Å; V202-L208 HydrophobicContact CG2-CB 3.61Å; V202-L208 HydrophobicContact CG2-CD1 4.13Å; V202-L208 HydrophobicContact CG2-CG 4.46Å
203N91.1Very high91.4Very high131 Ų13167.9 Ų67.970%0.70139%0.394SS*.SBendtrans-96.6-11.9-165.3-173.6-103.3000114.4L193L193-N203 WeakPolarHBondContact CD1-O 3.24Å
204S90.9Very high91.7Very high31 Ų3167.1 Ų67.122%0.21740%0.397CS..SBendtrans-143.4159171.373.90000113.1L193 S206 Q207 L208L193-S204 VanDerWaalsContact CD2-C 3.48Å; S204-S206 VanDerWaalsContact C-N 3.25Å; S204-S206 PolarHBondContact O-N 3.39Å; S204-S206 PolarHBondContact OG-OG 2.79Å; S204-Q207 WeakPolarHBondContact O-CB 3.5Å; S204-Q207 PolarHBondContact O-N 3.37Å; S204-Q207 VanDerWaalsContact OG-CG 3.26Å; S204-Q207 WeakPolarHBondContact OG-CG 3.47Å; S204-Q207 PolarHBondContact OG-N 2.99Å; S204-Q207 PolarHBondContact OG-NE2 3.32Å; S204-L208 PolarHBondContact O-N 3.06Å
205A90.4Very high91.6Very high68 Ų6868.8 Ų68.856%0.56242%0.415SS*.Hα-helixtrans-60.5-37.1175.700000111.8L193 Q207 L208 Q209L193-A205 VanDerWaalsContact CD2-CA 3.48Å; L193-A205 HydrophobicContact CD2-CB 3.96Å; L193-A205 VanDerWaalsContact CD2-N 3.25Å; A205-Q207 PolarHBondContact O-N 3.34Å; A205-L208 PolarHBondContact O-N 2.89Å; A205-L208 VanDerWaalsContact O-N 3.16Å; A205-Q209 WeakPolarHBondContact O-CB 3.41Å; A205-Q209 PolarHBondContact O-N 3.26Å
206S92Very high91.5Very high80 Ų8077.2 Ų77.256%0.55945%0.451SS*.Hα-helixtrans-64.3-35173.1520000113.2S204 A210S204-S206 VanDerWaalsContact C-N 3.25Å; S204-S206 PolarHBondContact O-N 3.39Å; S204-S206 PolarHBondContact OG-OG 2.79Å; S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.38Å; S206-A210 PolarHBondContact O-N 2.73Å
207Q92Very high91.7Very high88 Ų8875 Ų7541%0.41143%0.434SS..Hα-helixtrans-68.5-35.9171.5-71.5166.131.800111.6V202 S204 A205 H211V202-Q207 HydrophobicContact CB-CB 3.97Å; V202-Q207 HydrophobicContact CG2-CB 3.93Å; S204-Q207 WeakPolarHBondContact O-CB 3.5Å; S204-Q207 PolarHBondContact O-N 3.37Å; S204-Q207 VanDerWaalsContact OG-CG 3.26Å; S204-Q207 WeakPolarHBondContact OG-CG 3.47Å; S204-Q207 PolarHBondContact OG-N 2.99Å; S204-Q207 PolarHBondContact OG-NE2 3.32Å; A205-Q207 PolarHBondContact O-N 3.34Å; Q207-H211 VanDerWaalsContact O-CB 3.28Å; Q207-H211 WeakPolarHBondContact O-CB 3.38Å; Q207-H211 PolarHBondContact O-N 3.47Å
208L93.3Very high91.8Very high8 Ų877.9 Ų77.94%0.04245%0.445CS..Hα-helixtrans-70.2-42.1177.3-175.164.2000110.7C195 V202 S204 A205 H211 N212C195-L208 HydrophobicContact CB-CD1 3.91Å; V202-L208 HydrophobicContact CG2-CB 3.61Å; V202-L208 HydrophobicContact CG2-CD1 4.13Å; V202-L208 HydrophobicContact CG2-CG 4.46Å; S204-L208 PolarHBondContact O-N 3.06Å; A205-L208 PolarHBondContact O-N 2.89Å; A205-L208 VanDerWaalsContact O-N 3.16Å; L208-H211 WeakPolarHBondContact O-CB 3.4Å; L208-H211 PolarHBondContact O-N 3.36Å; L208-N212 WeakPolarHBondContact O-CB 3.5Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-OD1 3.24Å
209Q91.4Very high91.7Very high145 Ų14579.3 Ų79.368%0.67845%0.452SS*.Hα-helixtrans-61.1-44.5174-172.1-177.9-1.400111.7A205 H211 N212 S213A205-Q209 WeakPolarHBondContact O-CB 3.41Å; A205-Q209 PolarHBondContact O-N 3.26Å; Q209-H211 VanDerWaalsContact C-N 3.33Å; Q209-H211 PolarHBondContact O-N 2.82Å; Q209-N212 PolarHBondContact O-N 3.47Å; Q209-S213 PolarHBondContact O-N 3.48Å; Q209-S213 PolarHBondContact O-OG 3.43Å; Q209-S213 VanDerWaalsContact O-OG 3.09Å
210A94.7Very high91.6Very high60 Ų6076.6 Ų76.650%0.49644%0.443SS..Hα-helixtrans-68.1-29.6175.500000113.3S206 S213 G214S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.38Å; S206-A210 PolarHBondContact O-N 2.73Å; A210-S213 PolarHBondContact O-OG 2.98Å; A210-G214 PolarHBondContact O-N 3.42Å
211H94.7Very high91.5Very high48 Ų4876.8 Ų76.822%0.22244%0.442CS..Hα-helixtrans-67.4-50.5170.3175.187.6000110.6C195 C198 Q207 L208 Q209 S213 G214 H217C195-H211 PolarHBondContact SG-NE2 2.97Å; C195-H211 VanDerWaalsContact SG-NE2 3.37Å; C198-H211 WeakPolarHBondContact CB-NE2 3.34Å; C198-H211 PolarHBondContact SG-NE2 3.13Å; C198-H211 VanDerWaalsContact SG-NE2 3.42Å; Q207-H211 VanDerWaalsContact O-CB 3.28Å; Q207-H211 WeakPolarHBondContact O-CB 3.38Å; Q207-H211 PolarHBondContact O-N 3.47Å; L208-H211 WeakPolarHBondContact O-CB 3.4Å; L208-H211 PolarHBondContact O-N 3.36Å; Q209-H211 VanDerWaalsContact C-N 3.33Å; Q209-H211 PolarHBondContact O-N 2.82Å; H211-S213 PolarHBondContact O-N 3.27Å; H211-G214 PolarHBondContact O-N 3.37Å; H211-H217 AromaticContact CD2-ND1 3.6Å; H211-H217 AromaticContact NE2-ND1 3.43Å; H211-H217 PolarHBondContact NE2-ND1 3.43Å; H211-H217 WeakPolarHBondContact O-CB 3.21Å
212N92.2Very high91.2Very high61 Ų6178.7 Ų78.733%0.32644%0.439SS..Hα-helixtrans-64.5-37.3-177.3-68.8-5.8000112.5L208 Q209 G214 H217L208-N212 WeakPolarHBondContact O-CB 3.5Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-OD1 3.24Å; Q209-N212 PolarHBondContact O-N 3.47Å; N212-G214 VanDerWaalsContact C-N 3.29Å; N212-H217 PolarHBondContact O-CD2 3.37Å; N212-H217 PolarHBondContact OD1-CE1 2.87Å
213S92.7Very high90.8Very high92 Ų9281 Ų8164%0.64346%0.461SS*.THydrogen-bonded Turntrans-78.5-11.4173.565.90000113.8Q209 A210 H211Q209-S213 PolarHBondContact O-N 3.48Å; Q209-S213 PolarHBondContact O-OG 3.43Å; Q209-S213 VanDerWaalsContact O-OG 3.09Å; A210-S213 PolarHBondContact O-OG 2.98Å; H211-S213 PolarHBondContact O-N 3.27Å
214G93.6Very high90.1Very high25 Ų2583.8 Ų83.826%0.25846%0.462SS..SBendtrans-69.6142.1-178.100000113A210 H211 N212 K216 H217 K218A210-G214 PolarHBondContact O-N 3.42Å; H211-G214 PolarHBondContact O-N 3.37Å; N212-G214 VanDerWaalsContact C-N 3.29Å; G214-K216 PolarHBondContact O-N 3.29Å; G214-H217 PolarHBondContact O-N 2.96Å; G214-K218 PolarHBondContact O-N 3.45Å
215T92Very high89.5Confident114 Ų11485.6 Ų85.670%0.69948%0.475SS*.Hα-helixtrans-51.2-37.3-176.8-39.90000113.3T219T215-T219 HydrophobicContact CG2-CG2 4.44Å; T215-T219 WeakPolarHBondContact O-CG2 3.48Å; T215-T219 PolarHBondContact O-N 2.95Å; T215-T219 PolarHBondContact O-OG1 2.92Å
216K89.6Confident88.5Confident180 Ų18085.5 Ų85.578%0.78348%0.481SS*.Hα-helixtrans-65.5-41.3178.8-65.7-176.8178.6-178.40113G214 T219 M220G214-K216 PolarHBondContact O-N 3.29Å; K216-T219 PolarHBondContact O-OG1 3.04Å; K216-M220 WeakPolarHBondContact O-CB 2.84Å; K216-M220 VanDerWaalsContact O-CG 3.24Å; K216-M220 WeakPolarHBondContact O-CG 3.39Å; K216-M220 PolarHBondContact O-N 2.8Å
217H92.8Very high86.9Confident13 Ų1390 Ų906%0.0650%0.499CS..Hα-helixtrans-71.5-48176.4179.998.2000109.7C195 H211 N212 G214 T219 M220 L221C195-H217 PolarHBondContact SG-CE1 3.38Å; C195-H217 PolarHBondContact SG-ND1 2.97Å; H211-H217 AromaticContact CD2-ND1 3.6Å; H211-H217 AromaticContact NE2-ND1 3.43Å; H211-H217 PolarHBondContact NE2-ND1 3.43Å; H211-H217 WeakPolarHBondContact O-CB 3.21Å; N212-H217 PolarHBondContact O-CD2 3.37Å; N212-H217 PolarHBondContact OD1-CE1 2.87Å; G214-H217 PolarHBondContact O-N 2.96Å; H217-T219 PolarHBondContact O-N 3.13Å; H217-M220 CarbonylContact O-C 3.49Å; H217-M220 WeakPolarHBondContact O-CB 3.33Å; H217-M220 PolarHBondContact O-N 2.86Å; H217-L221 WeakPolarHBondContact O-CB 3.4Å; H217-L221 PolarHBondContact O-N 2.86Å
218K90.9Very high84.7Confident118 Ų11888.9 Ų88.951%0.51351%0.511SS..Hα-helixtrans-54-49.2178.8-179.2169.9174.5171.90112.8G214 M220 L221 E222G214-K218 PolarHBondContact O-N 3.45Å; K218-M220 VanDerWaalsContact C-N 3.31Å; K218-M220 PolarHBondContact O-N 2.85Å; K218-L221 WeakPolarHBondContact O-CB 3.24Å; K218-L221 PolarHBondContact O-N 2.69Å; K218-E222 WeakPolarHBondContact CE-OE1 3.1Å; K218-E222 HydrophobicContact CG-CG 4.45Å; K218-E222 IonicContact NZ-OE1 2.98Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 2.84Å
219T89.1Confident82.3Confident71 Ų7192.7 Ų92.744%0.43654%0.544SS..Hα-helixtrans-66.4-31.9178.353.10000113.3T215 K216 H217 A223T215-T219 HydrophobicContact CG2-CG2 4.44Å; T215-T219 WeakPolarHBondContact O-CG2 3.48Å; T215-T219 PolarHBondContact O-N 2.95Å; T215-T219 PolarHBondContact O-OG1 2.92Å; K216-T219 PolarHBondContact O-OG1 3.04Å; H217-T219 PolarHBondContact O-N 3.13Å; T219-A223 VanDerWaalsContact O-CB 3.3Å; T219-A223 WeakPolarHBondContact O-CB 3.37Å; T219-A223 PolarHBondContact O-N 2.78Å
220M87.5Confident80.4Confident108 Ų10893.6 Ų93.653%0.53255%0.551SS.*Hα-helixtrans-73.2-33175.2-76.5-61-51.500112.2K216 H217 K218 R224K216-M220 WeakPolarHBondContact O-CB 2.84Å; K216-M220 VanDerWaalsContact O-CG 3.24Å; K216-M220 WeakPolarHBondContact O-CG 3.39Å; K216-M220 PolarHBondContact O-N 2.8Å; H217-M220 CarbonylContact O-C 3.49Å; H217-M220 WeakPolarHBondContact O-CB 3.33Å; H217-M220 PolarHBondContact O-N 2.86Å; K218-M220 VanDerWaalsContact C-N 3.31Å; K218-M220 PolarHBondContact O-N 2.85Å; M220-R224 WeakPolarHBondContact O-CB 3.44Å; M220-R224 PolarHBondContact O-N 2.85Å
221L87.6Confident78.1Confident66 Ų66100.1 Ų100.135%0.34657%0.568SS.*Hα-helixtrans-67.7-52.3172.9-168.8159.6000109.6L197 H217 K218 A223 R224 S225L197-L221 HydrophobicContact CD1-CB 3.84Å; L197-L221 HydrophobicContact CD1-CD1 3.77Å; L197-L221 HydrophobicContact CD1-CG 3.69Å; H217-L221 WeakPolarHBondContact O-CB 3.4Å; H217-L221 PolarHBondContact O-N 2.86Å; K218-L221 WeakPolarHBondContact O-CB 3.24Å; K218-L221 PolarHBondContact O-N 2.69Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 3.35Å; L221-R224 CarbonylContact O-C 3.4Å; L221-R224 PolarHBondContact O-N 2.64Å; L221-S225 WeakPolarHBondContact CD2-OG 3.28Å; L221-S225 WeakPolarHBondContact O-CB 3.29Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.39Å
222E84.9Confident75.8Confident110 Ų110101.1 Ų101.151%0.51458%0.581SS.*Hα-helixtrans-55.8-43.5177.2-71.4165.516500112.6K218 R224K218-E222 WeakPolarHBondContact CE-OE1 3.1Å; K218-E222 HydrophobicContact CG-CG 4.45Å; K218-E222 IonicContact NZ-OE1 2.98Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 2.84Å; E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 PolarHBondContact O-N 2.66Å
223A83.4Confident73.3Confident84 Ų84105.9 Ų105.969%0.69460%0.599SS**Hα-helixtrans-69-20177.500000114.3T219 L221T219-A223 VanDerWaalsContact O-CB 3.3Å; T219-A223 WeakPolarHBondContact O-CB 3.37Å; T219-A223 PolarHBondContact O-N 2.78Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 3.35Å
224R76.3Confident71.4Confident189 Ų189107.4 Ų107.471%0.71361%0.606SS**Hα-helixtrans-100.8-28.3179.4-169.1-176.2178.1-830.6112.9M220 L221 E222 G226M220-R224 WeakPolarHBondContact O-CB 3.44Å; M220-R224 PolarHBondContact O-N 2.85Å; L221-R224 CarbonylContact O-C 3.4Å; L221-R224 PolarHBondContact O-N 2.64Å; E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 PolarHBondContact O-N 2.66Å; R224-G226 PolarHBondContact O-N 3.08Å
225S77.9Confident69.4Low69 Ų69116.6 Ų116.648%0.48363%0.633SS.*Hα-helixtrans-66.8-20.3-176-80.10000113.7L221 D227L221-S225 WeakPolarHBondContact CD2-OG 3.28Å; L221-S225 WeakPolarHBondContact O-CB 3.29Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.39Å; S225-D227 PolarHBondContact O-N 3.3Å
226G69.3Low67.2Low67 Ų67119.1 Ų119.169%0.69164%0.641SS**  trans65.9-12.9152.200000119.1R224 G228R224-G226 PolarHBondContact O-N 3.08Å; G226-G228 VanDerWaalsContact C-N 3.27Å; G226-G228 PolarHBondContact O-N 3.18Å
227D58.6Low65Low174 Ų174113.1 Ų113.193%0.9363%0.63SS**  trans-77.575.4-177.4-84.3-55.5000111.7S225S225-D227 PolarHBondContact O-N 3.3Å
228G47Very low62.7Low65 Ų65119.3 Ų119.367%0.6767%0.669SS**SBendtrans-154.564.4-17800000111.6G226G226-G228 VanDerWaalsContact C-N 3.27Å; G226-G228 PolarHBondContact O-N 3.18Å
229A41.6Very low60.4Low88 Ų88122.9 Ų122.973%0.72768%0.684SS**  trans31.9106.516700000117.8K231A229-K231 PolarHBondContact O-N 3.04Å
230I52.2Low57.9Low164 Ų164124.7 Ų124.784%0.84170%0.7SS**  trans-58.2101.3164.4-58.1168.9000109.6
231K46.8Very low55.5Low196 Ų196129 Ų12985%0.85272%0.715SS**  trans-106.981.3157.5-76.9-174.1177.2177.50108.9A229A229-K231 PolarHBondContact O-N 3.04Å
232S45.9Very low53.1Low69 Ų69134 Ų13448%0.48374%0.739SS.*  trans-62.7156.6160.342.50000110.7
233F40.3Very low50.8Low162 Ų162133.5 Ų133.571%0.71175%0.754SS**  trans82.5145.6173.8-44.7-59.1000115.3
234P51.3Low49.1Very low123 Ų123133.8 Ų133.880%0.79976%0.756SS**  cis-98.114122.1-2.423.9000116.7I236P234-I236 PolarHBondContact O-N 3.24Å
235R52.9Low48Very low218 Ų218130.6 Ų130.682%0.82376%0.76SS**  trans-72.2103.6162.5-173.9-168-61.4-1582.3108.3G237R235-G237 PolarHBondContact O-N 3.46Å
236I45.8Very low46Very low167 Ų167133 Ų13386%0.85678%0.777SS**  trans-73.3111.6171.7-81.7171.4000108.9P234P234-I236 PolarHBondContact O-N 3.24Å
237G42.1Very low45.1Very low55 Ų55137.2 Ų137.257%0.56778%0.779SS**  trans-83.1134.5-178.500000113.2R235R235-G237 PolarHBondContact O-N 3.46Å
238V46.3Very low44.3Very low142 Ų142134.6 Ų134.686%0.86177%0.771SS**  trans41.5104.2131.9-172.10000117.7
239K40.9Very low44.2Very low194 Ų194135.7 Ų135.784%0.84377%0.769SS**  172.1138.4129.962.3-167.6177.8-174.50108
240S37.7Very low44.2Very low108 Ų108138.3 Ų138.376%0.75578%0.776SS**  cis-155158.715.7-51.90000112.5
241K35.8Very low43.7Very low199 Ų199133.8 Ų133.887%0.86577%0.77SS**  trans69.591.5138.3-156.8166.9-175.2177.20121.1
242M38.2Very low43.8Very low170 Ų170131 Ų13184%0.83776%0.763SS**  39.4110.6128.8-176.159.2155.200120.8
243A36.5Very low43.9Very low100 Ų100135.4 Ų135.483%0.82678%0.776SS**  trans-153.7157.8136.600000109.9
244A47Very low44.4Very low91 Ų91132.1 Ų132.175%0.75277%0.766SS**  trans-91.4170.8-159.400000115.9
245P54.2Low45Very low121 Ų121132.5 Ų132.579%0.78676%0.755SS**  trans-111.4162.9-159.741.2-34.5000117.1
246S35.8Very low46.1Very low120 Ų120125.9 Ų125.984%0.83974%0.739SS**  trans-161.2126.2146.859.40000112.4
247E50.1Low47.8Very low156 Ų156120 Ų12073%0.72971%0.707SS**  trans-71.6173.8-177.7-80.8-63.3128.700114.2S249E247-S249 PolarHBondContact OE2-N 2.95Å
248P42Very low50.2Low119 Ų119121.8 Ų121.877%0.77370%0.7SS**  cis-132.6146.720.739.2-20.4000120.5
249S45.8Very low52.4Low88 Ų88115.3 Ų115.362%0.61566%0.661SS**  trans-11.7127.4149.1-175.60000118.6E247E247-S249 PolarHBondContact OE2-N 2.95Å
250T40.6Very low54.8Low143 Ų143112.9 Ų112.988%0.87765%0.653SS**  trans-127.6110.9134-64.50000107.4L252T250-L252 PolarHBondContact O-N 3.11Å
251G42.1Very low57.2Low69 Ų69112 Ų11271%0.71164%0.639SS**  trans-70.297-167.100000114.3
252L48.1Very low59.7Low137 Ų137103.3 Ų103.372%0.71760%0.603SS**  trans-142.3137.8147-147.485.5000108.6T250 N254T250-L252 PolarHBondContact O-N 3.11Å; L252-N254 PolarHBondContact O-N 3.19Å
253Q49.1Very low62.1Low162 Ų162101.8 Ų101.876%0.75760%0.598SS**  trans-72.678.6175-67.2178.94.300109.3K255Q253-K255 VanDerWaalsContact O-CG 3.27Å; Q253-K255 WeakPolarHBondContact O-CG 3.44Å; Q253-K255 PolarHBondContact O-N 2.96Å
254N49.9Very low64.6Low92 Ų9299.6 Ų99.649%0.49258%0.575SS.*  trans-68.880.8174.9-66.5-11.2000108.2L252 T256L252-N254 PolarHBondContact O-N 3.19Å; N254-T256 PolarHBondContact O-N 3.33Å; N254-T256 PolarHBondContact O-OG1 2.88Å
255K64.1Low66.7Low132 Ų132101.4 Ų101.457%0.57457%0.567SS**  trans-58.991.5159.1-3.7-179.3179.5-660104.6Q253 F257Q253-K255 VanDerWaalsContact O-CG 3.27Å; Q253-K255 WeakPolarHBondContact O-CG 3.44Å; Q253-K255 PolarHBondContact O-N 2.96Å; K255-F257 HydrophobicContact CB-CE2 4.16Å; K255-F257 HydrophobicContact CB-CZ 4.14Å; K255-F257 HydrophobicContact CD-CZ 4.09Å; K255-F257 HydrophobicContact CG-CE2 4.42Å; K255-F257 HydrophobicContact CG-CZ 4.36Å; K255-F257 WeakPolarHBondContact O-CD2 3.4Å; K255-F257 WeakPolarHBondContact O-CE2 3.06Å; K255-F257 PolarHBondContact O-N 3.41Å; K255-F257 VanDerWaalsContact O-N 3.1Å
256T75.7Confident68.4Low78 Ų7896.6 Ų96.648%0.47954%0.535SS..  trans-69.8111.3-177-57.30000107N254 H258 H265N254-T256 PolarHBondContact O-N 3.33Å; N254-T256 PolarHBondContact O-OG1 2.88Å; T256-H258 PolarHBondContact O-N 3.36Å; T256-H265 HydrophobicContact CG2-CB 3.72Å
257F81.9Confident70.9Confident44 Ų4496.6 Ų96.619%0.19353%0.526CS..EExtended strand (participates in β ladder)trans-79.7106-174-71.9-81.6000108.3K255 V266 E269 L272K255-F257 HydrophobicContact CB-CE2 4.16Å; K255-F257 HydrophobicContact CB-CZ 4.14Å; K255-F257 HydrophobicContact CD-CZ 4.09Å; K255-F257 HydrophobicContact CG-CE2 4.42Å; K255-F257 HydrophobicContact CG-CZ 4.36Å; K255-F257 WeakPolarHBondContact O-CD2 3.4Å; K255-F257 WeakPolarHBondContact O-CE2 3.06Å; K255-F257 PolarHBondContact O-N 3.41Å; K255-F257 VanDerWaalsContact O-N 3.1Å; F257-V266 HydrophobicContact CB-CG2 4.21Å; F257-V266 PolarHBondContact N-O 2.86Å; F257-V266 VanDerWaalsContact N-O 3.09Å; F257-V266 WeakPolarHBondContact O-CG2 3.41Å; F257-V266 PolarHBondContact O-N 2.72Å; F257-E269 HydrophobicContact CD1-CB 4.12Å; F257-E269 HydrophobicContact CD1-CG 4.08Å; F257-E269 HydrophobicContact CD2-CB 4.23Å; F257-E269 HydrophobicContact CE1-CB 3.66Å; F257-E269 HydrophobicContact CE1-CG 3.6Å; F257-E269 HydrophobicContact CE2-CB 3.79Å; F257-E269 VanDerWaalsContact CE2-N 3.27Å; F257-E269 HydrophobicContact CG-CB 4.38Å; F257-E269 HydrophobicContact CZ-CB 3.48Å; F257-E269 VanDerWaalsContact CZ-CB 3.48Å; F257-E269 HydrophobicContact CZ-CG 3.91Å; F257-L272 HydrophobicContact CB-CB 3.76Å; F257-L272 HydrophobicContact CB-CD2 3.75Å; F257-L272 HydrophobicContact CB-CG 4.24Å; F257-L272 HydrophobicContact CD1-CD2 4.16Å; F257-L272 HydrophobicContact CG-CB 4.49Å; F257-L272 HydrophobicContact CG-CD2 4.42Å
258H91.6Very high72.7Confident92 Ų9291.4 Ų91.443%0.42651%0.507SS..EExtended strand (participates in β ladder)trans-93.9148.4-177.172.2-63.8000111.4T256 E260T256-H258 PolarHBondContact O-N 3.36Å; H258-E260 VanDerWaalsContact CD2-CG 3.42Å; H258-E260 WeakPolarHBondContact CD2-CG 3.28Å; H258-E260 IonicContact CD2-OE1 3.89Å; H258-E260 IonicContact CE1-OE1 3.76Å; H258-E260 WeakPolarHBondContact NE2-CG 3.5Å; H258-E260 IonicContact NE2-OE1 2.6Å; H258-E260 PolarHBondContact NE2-OE1 2.85Å
259C92.7Very high75Confident6 Ų690 Ų904%0.04149%0.49CS..EExtended strand (participates in β ladder)trans-116.9100.2172.8-179.70000110.1I261 C262 D263 V264 L272 H275 H281C259-I261 VanDerWaalsContact C-N 3.27Å; C259-I261 PolarHBondContact O-N 2.84Å; C259-C262 HydrophobicContact CB-CB 4.48Å; C259-C262 CarbonylContact O-C 3.57Å; C259-C262 PolarHBondContact O-N 2.84Å; C259-C262 VanDerWaalsContact O-N 3.09Å; C259-D263 WeakPolarHBondContact O-CA 3.34Å; C259-D263 PolarHBondContact O-N 3.23Å; C259-V264 PolarHBondContact N-O 2.93Å; C259-V264 PolarHBondContact O-N 3.06Å; C259-L272 HydrophobicContact CB-CD1 3.71Å; C259-H275 PolarHBondContact SG-CD2 3.15Å; C259-H275 PolarHBondContact SG-NE2 2.97Å; C259-H281 PolarHBondContact SG-CE1 2.83Å; C259-H281 PolarHBondContact SG-ND1 2.98Å
260E91.1Very high77.2Confident144 Ų14490.9 Ų90.967%0.67349%0.492SS*.THydrogen-bonded Turntrans-61.3-31.6-177.7-61.2172.8-177.200113.2H258 C262H258-E260 VanDerWaalsContact CD2-CG 3.42Å; H258-E260 WeakPolarHBondContact CD2-CG 3.28Å; H258-E260 IonicContact CD2-OE1 3.89Å; H258-E260 IonicContact CE1-OE1 3.76Å; H258-E260 WeakPolarHBondContact NE2-CG 3.5Å; H258-E260 IonicContact NE2-OE1 2.6Å; H258-E260 PolarHBondContact NE2-OE1 2.85Å; E260-C262 PolarHBondContact O-N 2.91Å
261I88.5Confident79.6Confident90 Ų9088.4 Ų88.446%0.46247%0.47SS..THydrogen-bonded Turntrans-72.5-14.8179.7-58.7176.8000112.1C259 R284 A285C259-I261 VanDerWaalsContact C-N 3.27Å; C259-I261 PolarHBondContact O-N 2.84Å; I261-R284 HydrophobicContact CG2-CB 4.01Å; I261-A285 HydrophobicContact CD1-CB 3.85Å; I261-A285 HydrophobicContact CG2-CB 4.15Å
262C89.1Confident82Confident16 Ų1686.2 Ų86.211%0.10844%0.442CS..THydrogen-bonded Turntrans-131.8-4-175.6-69.20000114.5C259 E260 V264 H275 R284C259-C262 HydrophobicContact CB-CB 4.48Å; C259-C262 CarbonylContact O-C 3.57Å; C259-C262 PolarHBondContact O-N 2.84Å; C259-C262 VanDerWaalsContact O-N 3.09Å; E260-C262 PolarHBondContact O-N 2.91Å; C262-V264 HydrophobicContact CB-CG2 3.97Å; C262-V264 WeakPolarHBondContact O-CG2 3.3Å; C262-V264 PolarHBondContact O-N 2.66Å; C262-H275 WeakPolarHBondContact CB-NE2 3.26Å; C262-H275 PolarHBondContact SG-NE2 3.14Å; C262-R284 WeakPolarHBondContact SG-CD 3.14Å; C262-R284 PolarHBondContact SG-NH1 3.08Å
263D89.1Confident84.2Confident137 Ų13785.7 Ų85.773%0.73343%0.434SS*.THydrogen-bonded Turntrans46.937.8-169.3-60.3-49.2000114.3C259C259-D263 WeakPolarHBondContact O-CA 3.34Å; C259-D263 PolarHBondContact O-N 3.23Å
264V88.5Confident86.4Confident55 Ų5584.6 Ų84.633%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-105.2128.3178.7-174.90000110.6C259 C262 V266C259-V264 PolarHBondContact N-O 2.93Å; C259-V264 PolarHBondContact O-N 3.06Å; C262-V264 HydrophobicContact CB-CG2 3.97Å; C262-V264 WeakPolarHBondContact O-CG2 3.3Å; C262-V264 PolarHBondContact O-N 2.66Å; V264-V266 HydrophobicContact CG1-CG1 4.2Å
265H91.1Very high88.5Confident129 Ų12982.1 Ų82.160%0.59742%0.415SS*.EExtended strand (participates in β ladder)trans-96.4130.9170.1-66.581.9000109.5T256T256-H265 HydrophobicContact CG2-CB 3.72Å
266V90.4Very high90Very high19 Ų1979.6 Ų79.612%0.11541%0.407CS..EExtended strand (participates in β ladder)trans-127.6152.7179.3-82.80000111.2F257 V264 Q271 L272F257-V266 HydrophobicContact CB-CG2 4.21Å; F257-V266 PolarHBondContact N-O 2.86Å; F257-V266 VanDerWaalsContact N-O 3.09Å; F257-V266 WeakPolarHBondContact O-CG2 3.41Å; F257-V266 PolarHBondContact O-N 2.72Å; V264-V266 HydrophobicContact CG1-CG1 4.2Å; V266-Q271 HydrophobicContact CB-CB 4.2Å; V266-Q271 HydrophobicContact CB-CG 3.96Å; V266-Q271 HydrophobicContact CG1-CG 3.84Å; V266-L272 HydrophobicContact CG2-CB 3.66Å; V266-L272 HydrophobicContact CG2-CD1 3.87Å; V266-L272 HydrophobicContact CG2-CG 4.35Å
267N86.9Confident90.8Very high120 Ų12080.2 Ų80.264%0.64241%0.414SS*.SBendtrans-79.4-22.4-165.2-172.7-84.1000112.9
268S88.8Confident91.4Very high47 Ų4780 Ų8033%0.32942%0.418SS..SBendtrans-137.4154.4179.773.30000113.8T270 Q271 L272S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.41Å; S268-Q271 WeakPolarHBondContact O-CB 3.09Å; S268-Q271 PolarHBondContact O-N 3.17Å; S268-Q271 WeakPolarHBondContact OG-CB 3.19Å; S268-Q271 PolarHBondContact OG-N 2.83Å; S268-L272 PolarHBondContact O-N 3.45Å
269E89.3Confident91.5Very high91 Ų9185.1 Ų85.143%0.42543%0.434SS..Hα-helixtrans-58.7-39.6178.1-163.1-177144.500111.5F257 Q271 L272 K273F257-E269 HydrophobicContact CD1-CB 4.12Å; F257-E269 HydrophobicContact CD1-CG 4.08Å; F257-E269 HydrophobicContact CD2-CB 4.23Å; F257-E269 HydrophobicContact CE1-CB 3.66Å; F257-E269 HydrophobicContact CE1-CG 3.6Å; F257-E269 HydrophobicContact CE2-CB 3.79Å; F257-E269 VanDerWaalsContact CE2-N 3.27Å; F257-E269 HydrophobicContact CG-CB 4.38Å; F257-E269 HydrophobicContact CZ-CB 3.48Å; F257-E269 VanDerWaalsContact CZ-CB 3.48Å; F257-E269 HydrophobicContact CZ-CG 3.91Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 2.79Å; E269-L272 PolarHBondContact O-N 3.44Å; E269-K273 HydrophobicContact CG-CD 4.48Å; E269-K273 WeakPolarHBondContact O-CG 3.44Å; E269-K273 PolarHBondContact O-N 3.5Å; E269-K273 WeakPolarHBondContact OE1-CE 3.3Å; E269-K273 IonicContact OE1-NZ 2.64Å; E269-K273 PolarHBondContact OE1-NZ 3.07Å
270T91.9Very high91.3Very high106 Ų10695 Ų9565%0.6547%0.47SS*.Hα-helixtrans-63.1-39.9176.2-45.80000111.3S268 L272 K273 Q274S268-T270 VanDerWaalsContact C-N 3.25Å; S268-T270 PolarHBondContact O-N 3.41Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-K273 PolarHBondContact O-N 3.23Å; T270-Q274 WeakPolarHBondContact O-CB 3.43Å; T270-Q274 PolarHBondContact O-N 3.16Å
271Q91Very high91.4Very high90 Ų9088.7 Ų88.742%0.42144%0.44SS..Hα-helixtrans-68.7-33.6176.3-164.917653.400111.4V266 S268 E269 H275V266-Q271 HydrophobicContact CB-CB 4.2Å; V266-Q271 HydrophobicContact CB-CG 3.96Å; V266-Q271 HydrophobicContact CG1-CG 3.84Å; S268-Q271 WeakPolarHBondContact O-CB 3.09Å; S268-Q271 PolarHBondContact O-N 3.17Å; S268-Q271 WeakPolarHBondContact OG-CB 3.19Å; S268-Q271 PolarHBondContact OG-N 2.83Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 2.79Å; Q271-H275 WeakPolarHBondContact O-CB 3.48Å; Q271-H275 PolarHBondContact O-N 2.91Å
272L94.2Very high91.6Very high23 Ų2391.5 Ų91.512%0.1245%0.449CS..Hα-helixtrans-68.9-46.2170.4-175.265.4000112.1F257 C259 V266 S268 E269 T270 Q274 H275 I276F257-L272 HydrophobicContact CB-CB 3.76Å; F257-L272 HydrophobicContact CB-CD2 3.75Å; F257-L272 HydrophobicContact CB-CG 4.24Å; F257-L272 HydrophobicContact CD1-CD2 4.16Å; F257-L272 HydrophobicContact CG-CB 4.49Å; F257-L272 HydrophobicContact CG-CD2 4.42Å; C259-L272 HydrophobicContact CB-CD1 3.71Å; V266-L272 HydrophobicContact CG2-CB 3.66Å; V266-L272 HydrophobicContact CG2-CD1 3.87Å; V266-L272 HydrophobicContact CG2-CG 4.35Å; S268-L272 PolarHBondContact O-N 3.45Å; E269-L272 PolarHBondContact O-N 3.44Å; T270-L272 VanDerWaalsContact C-N 3.34Å; L272-Q274 VanDerWaalsContact C-N 3.27Å; L272-Q274 PolarHBondContact O-N 3.31Å; L272-H275 CarbonylContact O-C 3.55Å; L272-H275 WeakPolarHBondContact O-CA 3.43Å; L272-H275 WeakPolarHBondContact O-CB 3.4Å; L272-H275 PolarHBondContact O-N 3.34Å; L272-H275 VanDerWaalsContact O-N 3.08Å; L272-I276 HydrophobicContact CD1-CD1 4.05Å; L272-I276 HydrophobicContact CD1-CG1 4.21Å; L272-I276 HydrophobicContact CD2-CD1 4.16Å; L272-I276 HydrophobicContact CG-CD1 3.72Å; L272-I276 HydrophobicContact CG-CG1 4.28Å; L272-I276 WeakPolarHBondContact O-CB 3.48Å; L272-I276 VanDerWaalsContact O-CG1 3.32Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 2.85Å
273K92.8Very high91.7Very high126 Ų12694.3 Ų94.355%0.54846%0.463SS..Hα-helixtrans-60.2-37.8175.8-73.1175.6-177.91720111.6E269 T270 S277E269-K273 HydrophobicContact CG-CD 4.48Å; E269-K273 WeakPolarHBondContact O-CG 3.44Å; E269-K273 PolarHBondContact O-N 3.5Å; E269-K273 WeakPolarHBondContact OE1-CE 3.3Å; E269-K273 IonicContact OE1-NZ 2.64Å; E269-K273 PolarHBondContact OE1-NZ 3.07Å; T270-K273 PolarHBondContact O-N 3.23Å; K273-S277 WeakPolarHBondContact O-CB 3.37Å; K273-S277 PolarHBondContact O-N 2.96Å; K273-S277 PolarHBondContact O-OG 2.88Å
274Q95Very high91.7Very high140 Ų14093.7 Ų93.765%0.65445%0.451SS*.Hα-helixtrans-69.5-37.6172.9-168.9178.48.600112.5T270 L272 S277 S278T270-Q274 WeakPolarHBondContact O-CB 3.43Å; T270-Q274 PolarHBondContact O-N 3.16Å; L272-Q274 VanDerWaalsContact C-N 3.27Å; L272-Q274 PolarHBondContact O-N 3.31Å; Q274-S277 WeakPolarHBondContact CA-OG 3.49Å; Q274-S277 PolarHBondContact O-OG 2.72Å; Q274-S278 PolarHBondContact O-N 3.32Å; Q274-S278 VanDerWaalsContact O-N 3.16Å
275H95.4Very high91.7Very high40 Ų4093.6 Ų93.619%0.18546%0.456CS..Hα-helixtrans-61.6-50.6171.9175.194.5000111.3C259 C262 Q271 L272 S277 S278 H281C259-H275 PolarHBondContact SG-CD2 3.15Å; C259-H275 PolarHBondContact SG-NE2 2.97Å; C262-H275 WeakPolarHBondContact CB-NE2 3.26Å; C262-H275 PolarHBondContact SG-NE2 3.14Å; Q271-H275 WeakPolarHBondContact O-CB 3.48Å; Q271-H275 PolarHBondContact O-N 2.91Å; L272-H275 CarbonylContact O-C 3.55Å; L272-H275 WeakPolarHBondContact O-CA 3.43Å; L272-H275 WeakPolarHBondContact O-CB 3.4Å; L272-H275 PolarHBondContact O-N 3.34Å; L272-H275 VanDerWaalsContact O-N 3.08Å; H275-S277 PolarHBondContact O-N 3.45Å; H275-S278 WeakPolarHBondContact O-CB 3.49Å; H275-S278 PolarHBondContact O-N 3.18Å; H275-S278 VanDerWaalsContact O-N 3.07Å; H275-S278 PolarHBondContact O-OG 2.71Å; H275-H281 AromaticContact CD2-ND1 3.43Å; H275-H281 PolarHBondContact CD2-ND1 2.78Å; H275-H281 AromaticContact NE2-CG 3.99Å; H275-H281 AromaticContact NE2-ND1 3.28Å; H275-H281 PolarHBondContact NE2-ND1 3.26Å; H275-H281 WeakPolarHBondContact O-CB 3.5Å
276I94.6Very high91.5Very high79 Ų7990.5 Ų90.541%0.40545%0.452SS..Hα-helixtrans-63.2-43-177.6-68.3170.1000111.5L272 S278 H281L272-I276 HydrophobicContact CD1-CD1 4.05Å; L272-I276 HydrophobicContact CD1-CG1 4.21Å; L272-I276 HydrophobicContact CD2-CD1 4.16Å; L272-I276 HydrophobicContact CG-CD1 3.72Å; L272-I276 HydrophobicContact CG-CG1 4.28Å; L272-I276 WeakPolarHBondContact O-CB 3.48Å; L272-I276 VanDerWaalsContact O-CG1 3.32Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 2.85Å; I276-S278 PolarHBondContact O-N 3.33Å; I276-H281 PolarHBondContact O-CD2 3.22Å
277S93.7Very high90.7Very high91 Ų9192.7 Ų92.764%0.63648%0.479SS*.Hα-helixtrans-72.7-10.6175.555.60000114.1K273 Q274 H275K273-S277 WeakPolarHBondContact O-CB 3.37Å; K273-S277 PolarHBondContact O-N 2.96Å; K273-S277 PolarHBondContact O-OG 2.88Å; Q274-S277 WeakPolarHBondContact CA-OG 3.49Å; Q274-S277 PolarHBondContact O-OG 2.72Å; H275-S277 PolarHBondContact O-N 3.45Å
278S93.9Very high89.7Confident39 Ų3993.7 Ų93.727%0.27348%0.478SS..SBendtrans-66.3143.1177.982.10000111.7Q274 H275 I276 R280 H281 K282Q274-S278 PolarHBondContact O-N 3.32Å; Q274-S278 VanDerWaalsContact O-N 3.16Å; H275-S278 WeakPolarHBondContact O-CB 3.49Å; H275-S278 PolarHBondContact O-N 3.18Å; H275-S278 VanDerWaalsContact O-N 3.07Å; H275-S278 PolarHBondContact O-OG 2.71Å; I276-S278 PolarHBondContact O-N 3.33Å; S278-R280 PolarHBondContact O-N 3.38Å; S278-R280 VanDerWaalsContact O-N 3.12Å; S278-H281 PolarHBondContact O-N 3.49Å; S278-H281 VanDerWaalsContact O-N 3.09Å; S278-H281 PolarHBondContact OG-N 3.16Å; S278-K282 PolarHBondContact O-N 3.09Å
279R93Very high88.5Confident200 Ų20097 Ų9776%0.75550%0.498SS*.Hα-helixtrans-51.5-38175.5-179173.9178.8173.84.5112.6K282 D283R279-K282 PolarHBondContact O-N 2.73Å; R279-D283 WeakPolarHBondContact CG-OD2 3.48Å; R279-D283 IonicContact NE-OD2 2.66Å; R279-D283 WeakPolarHBondContact O-CB 2.99Å; R279-D283 PolarHBondContact O-N 2.82Å
280R90Very high87.2Confident212 Ų21296.4 Ų96.480%0.851%0.509SS*.Hα-helixtrans-67-38.8-179.2-66.6-175.5178.1-146.5-0.5113.2S278 R284S278-R280 PolarHBondContact O-N 3.38Å; S278-R280 VanDerWaalsContact O-N 3.12Å; R280-R284 WeakPolarHBondContact O-CG 3.17Å; R280-R284 PolarHBondContact O-N 3.01Å
281H93.3Very high85.7Confident12 Ų12100.6 Ų100.66%0.05652%0.518CS..Hα-helixtrans-70.5-47.7173.1177.299.8000110.2C259 H275 I276 S278 D283 R284 A285C259-H281 PolarHBondContact SG-CE1 2.83Å; C259-H281 PolarHBondContact SG-ND1 2.98Å; H275-H281 AromaticContact CD2-ND1 3.43Å; H275-H281 PolarHBondContact CD2-ND1 2.78Å; H275-H281 AromaticContact NE2-CG 3.99Å; H275-H281 AromaticContact NE2-ND1 3.28Å; H275-H281 PolarHBondContact NE2-ND1 3.26Å; H275-H281 WeakPolarHBondContact O-CB 3.5Å; I276-H281 PolarHBondContact O-CD2 3.22Å; S278-H281 PolarHBondContact O-N 3.49Å; S278-H281 VanDerWaalsContact O-N 3.09Å; S278-H281 PolarHBondContact OG-N 3.16Å; H281-D283 VanDerWaalsContact C-N 3.3Å; H281-D283 PolarHBondContact O-N 3.37Å; H281-R284 PolarHBondContact O-N 3.28Å; H281-A285 WeakPolarHBondContact O-CB 3.33Å; H281-A285 PolarHBondContact O-N 3.31Å
282K92.6Very high84.7Confident150 Ų150102.1 Ų102.165%0.65254%0.536SS*.Hα-helixtrans-57.5-39.8179.1-169.1173-177.41750113S278 R279 A286S278-K282 PolarHBondContact O-N 3.09Å; R279-K282 PolarHBondContact O-N 2.73Å; K282-A286 WeakPolarHBondContact O-CB 3.27Å; K282-A286 PolarHBondContact O-N 2.94Å; K282-A286 VanDerWaalsContact O-N 3.1Å
283D90.2Very high82.8Confident74 Ų74110.8 Ų110.840%0.39657%0.572SS.*Hα-helixtrans-66.8-33.9176.4-73.8-29000112.5R279 H281R279-D283 WeakPolarHBondContact CG-OD2 3.48Å; R279-D283 IonicContact NE-OD2 2.66Å; R279-D283 WeakPolarHBondContact O-CB 2.99Å; R279-D283 PolarHBondContact O-N 2.82Å; H281-D283 VanDerWaalsContact C-N 3.3Å; H281-D283 PolarHBondContact O-N 3.37Å
284R89.1Confident81Confident125 Ų125113.8 Ų113.847%0.47259%0.585SS.*Hα-helixtrans-75.6-43.3174-72.4172.5172.9-165.7-6112.4I261 C262 R280 H281 A286 G287I261-R284 HydrophobicContact CG2-CB 4.01Å; C262-R284 WeakPolarHBondContact SG-CD 3.14Å; C262-R284 PolarHBondContact SG-NH1 3.08Å; R280-R284 WeakPolarHBondContact O-CG 3.17Å; R280-R284 PolarHBondContact O-N 3.01Å; H281-R284 PolarHBondContact O-N 3.28Å; R284-A286 PolarHBondContact O-N 3.28Å; R284-G287 PolarHBondContact O-N 3.42Å; R284-G287 VanDerWaalsContact O-N 3.13Å
285A88.3Confident79.3Confident53 Ų53110.6 Ų110.644%0.43858%0.579SS.*Hα-helixtrans-61.8-29.9178.400000112.5I261 H281 G287I261-A285 HydrophobicContact CD1-CB 3.85Å; I261-A285 HydrophobicContact CG2-CB 4.15Å; H281-A285 WeakPolarHBondContact O-CB 3.33Å; H281-A285 PolarHBondContact O-N 3.31Å; A285-G287 PolarHBondContact O-N 3.38Å; A285-G287 VanDerWaalsContact O-N 3.08Å
286A86.3Confident77.7Confident63 Ų63114.3 Ų114.352%0.52161%0.606SS.*THydrogen-bonded Turntrans-73.714.9174.400000114.5K282 R284 K288K282-A286 WeakPolarHBondContact O-CB 3.27Å; K282-A286 PolarHBondContact O-N 2.94Å; K282-A286 VanDerWaalsContact O-N 3.1Å; R284-A286 PolarHBondContact O-N 3.28Å; A286-K288 PolarHBondContact O-N 3.5Å
287G74.7Confident75.6Confident66 Ų66119.6 Ų119.668%0.6862%0.623SS**THydrogen-bonded Turntrans66.86.8176.600000115.2R284 A285 P289R284-G287 PolarHBondContact O-N 3.42Å; R284-G287 VanDerWaalsContact O-N 3.13Å; A285-G287 PolarHBondContact O-N 3.38Å; A285-G287 VanDerWaalsContact O-N 3.08Å; G287-P289 WeakPolarHBondContact O-CD 3.5Å
288K65.4Low73.4Confident141 Ų141119.1 Ų119.161%0.61362%0.624SS**  trans-76117179.5-66.1178.9-178.7176.60108.3A286 A290A286-K288 PolarHBondContact O-N 3.5Å; K288-A290 PolarHBondContact O-N 2.81Å
289P64.6Low71.4Confident117 Ų117123 Ų12376%0.7665%0.648SS**  trans-58.1133.5178.623.9-33.1000108.9G287 K291G287-P289 WeakPolarHBondContact O-CD 3.5Å; P289-K291 PolarHBondContact O-N 3.07Å
290A60.5Low69.4Low78 Ų78119.1 Ų119.165%0.64565%0.647SS**  trans-59.1111-17600000109.4K288K288-A290 PolarHBondContact O-N 2.81Å
291K61.7Low67.7Low193 Ų193117.3 Ų117.384%0.83965%0.648SS**  trans-53.2130.2172.8-65-171.8179.3-171.30107.8P289 K293P289-K291 PolarHBondContact O-N 3.07Å; K291-K293 PolarHBondContact O-N 3.35Å
292P68.8Low65.8Low123 Ų123126.9 Ų126.980%0.79968%0.683SS**  trans-53.8138.7-179.820.7-31.7000109.5F294P292-F294 PolarHBondContact O-N 3.05Å
293K55.9Low63.9Low205 Ų205126.3 Ų126.389%0.89169%0.686SS**  trans-53.4114.4-166.4-62.7171.2-175.9170.80110.2K291 S295K291-K293 PolarHBondContact O-N 3.35Å; K293-S295 PolarHBondContact O-N 3.03Å
294F54.8Low62.2Low188 Ų188130 Ų13083%0.82570%0.701SS**  trans-60.3111.1166.6-177-96.7000107.9P292 P296P292-F294 PolarHBondContact O-N 3.05Å; F294-P296 HydrophobicContact CD1-CG 4.42Å; F294-P296 HydrophobicContact CE1-CG 4.49Å; F294-P296 WeakPolarHBondContact O-CD 3.47Å
295S59.3Low60.4Low74 Ų74127 Ų12752%0.51770%0.7SS.*  trans-93.2115.7177.4-175.70000108.7K293 Y297K293-S295 PolarHBondContact O-N 3.03Å; S295-Y297 WeakPolarHBondContact CB-O 3.39Å; S295-Y297 PolarHBondContact O-N 2.92Å; S295-Y297 VanDerWaalsContact O-N 3.11Å; S295-Y297 PolarHBondContact OG-N 3.44Å; S295-Y297 PolarHBondContact OG-O 3.46Å
296P61.5Low58.8Low117 Ų117129.3 Ų129.376%0.7670%0.704SS**SBendtrans-70.30.8173.8-17.833.2000113.6F294F294-P296 HydrophobicContact CD1-CG 4.42Å; F294-P296 HydrophobicContact CE1-CG 4.49Å; F294-P296 WeakPolarHBondContact O-CD 3.47Å
297Y49.3Very low57.4Low191 Ų191133.3 Ų133.375%0.74971%0.712SS**SBendtrans-120.5130.2170.9-119-102.7000109.1S295S295-Y297 WeakPolarHBondContact CB-O 3.39Å; S295-Y297 PolarHBondContact O-N 2.92Å; S295-Y297 VanDerWaalsContact O-N 3.11Å; S295-Y297 PolarHBondContact OG-N 3.44Å; S295-Y297 PolarHBondContact OG-O 3.46Å
298A48.8Very low56.3Low80 Ų80132.9 Ų132.966%0.66170%0.702SS**  trans-59.5131166.800000108.6T300A298-T300 PolarHBondContact O-N 3.37Å
299P50.6Low55.7Low120 Ų120131.6 Ų131.678%0.77970%0.698SS**  trans-63.9112.7172.226.7-32000107.8Q301P299-Q301 PolarHBondContact O-N 3.48Å
300T52.4Low55Low120 Ų120136 Ų13674%0.73670%0.7SS**  trans-59.8131.8174.536.20000109.1A298 R302A298-T300 PolarHBondContact O-N 3.37Å; T300-R302 PolarHBondContact O-N 2.95Å
301Q53.8Low54.7Low174 Ų174138.6 Ų138.681%0.81370%0.702SS**THydrogen-bonded Turntrans-68.933.1-174.1-160.6-171.42400113.4P299P299-Q301 PolarHBondContact O-N 3.48Å
302R52.6Low54.1Low213 Ų213133.7 Ų133.780%0.80469%0.688SS**THydrogen-bonded Turntrans-102.9-9.6-167.4-139.9176.2-172.7177.22.4114.7T300T300-R302 PolarHBondContact O-N 2.95Å
303L53.6Low53.3Low137 Ų137134.3 Ų134.372%0.71768%0.684SS**SBendtrans-105.7-16.4179.7-141.475.6000115.2L306L303-L306 HydrophobicContact CD1-CD1 4.47Å
304Q53.6Low52.9Low151 Ų151133.6 Ų133.671%0.70668%0.676SS**SBendtrans-75.3-30.1172-76.3179.4-30.200112.5L306 Q307 A308Q304-L306 VanDerWaalsContact C-N 3.34Å; Q304-L306 PolarHBondContact O-N 3.1Å; Q304-Q307 PolarHBondContact O-N 3.42Å; Q304-A308 PolarHBondContact O-N 2.99Å
305S51.8Low52.6Low64 Ų64133.1 Ų133.145%0.44867%0.673SS.*Hα-helixtrans-59.9-40.5175.9177.60000112.7Q307 A308 Q309S305-Q307 VanDerWaalsContact C-N 3.33Å; S305-Q307 PolarHBondContact O-N 3.44Å; S305-A308 PolarHBondContact O-N 3.18Å; S305-Q309 PolarHBondContact O-N 3.2Å
306L55.5Low52.2Low101 Ų101136 Ų13653%0.52968%0.683SS.*Hα-helixtrans-72.6-19.8-178.6-67.6179.5000114.3L303 Q304 R310L303-L306 HydrophobicContact CD1-CD1 4.47Å; Q304-L306 VanDerWaalsContact C-N 3.34Å; Q304-L306 PolarHBondContact O-N 3.1Å; L306-R310 WeakPolarHBondContact O-CG 3.34Å
307Q56.1Low51.7Low146 Ų146137.8 Ų137.868%0.68268%0.681SS**Hα-helixtrans-85.6-35.5170.8-74.6-176.5-24.800111.8Q304 S305 R310 L311Q304-Q307 PolarHBondContact O-N 3.42Å; S305-Q307 VanDerWaalsContact C-N 3.33Å; S305-Q307 PolarHBondContact O-N 3.44Å; Q307-R310 PolarHBondContact O-N 3.01Å; Q307-L311 PolarHBondContact O-N 3.05Å
308A52.1Low51.3Low57 Ų57135.5 Ų135.547%0.47168%0.682SS.*Hα-helixtrans-62.2-42.3171.900000112.3Q304 S305 R310 L311 T312Q304-A308 PolarHBondContact O-N 2.99Å; S305-A308 PolarHBondContact O-N 3.18Å; A308-R310 VanDerWaalsContact C-N 3.29Å; A308-R310 PolarHBondContact O-N 3.27Å; A308-L311 PolarHBondContact O-N 3.5Å; A308-T312 PolarHBondContact O-N 2.87Å; A308-T312 PolarHBondContact O-OG1 3.07Å
309Q52.3Low51.4Low115 Ų115139.3 Ų139.354%0.53769%0.691SS.*Hα-helixtrans-65.7-24.1177.8-77.2-174.7-79.200114.4S305 T312 L313S305-Q309 PolarHBondContact O-N 3.2Å; Q309-T312 PolarHBondContact O-OG1 3.49Å; Q309-L313 PolarHBondContact O-N 3.22Å
310R50.7Low50.8Low209 Ų209139.2 Ų139.279%0.78969%0.688SS**Hα-helixtrans-80.8-21.8175.2-66.5-175.890.6177.26.8112.9L306 Q307 A308L306-R310 WeakPolarHBondContact O-CG 3.34Å; Q307-R310 PolarHBondContact O-N 3.01Å; A308-R310 VanDerWaalsContact C-N 3.29Å; A308-R310 PolarHBondContact O-N 3.27Å
311L52.8Low50Low133 Ų133143.1 Ų143.170%0.69670%0.695SS**Hα-helixtrans-84.1-34.1175.6-69.7169.9000112.5Q307 A308Q307-L311 PolarHBondContact O-N 3.05Å; A308-L311 PolarHBondContact O-N 3.5Å
312T50.1Low49.7Very low89 Ų89140 Ų14055%0.54669%0.689SS.*Hα-helixtrans-76.2-25.317752.50000113.7A308 Q309 N316A308-T312 PolarHBondContact O-N 2.87Å; A308-T312 PolarHBondContact O-OG1 3.07Å; Q309-T312 PolarHBondContact O-OG1 3.49Å; T312-N316 PolarHBondContact O-ND2 3.39Å
313L50.8Low48.9Very low136 Ų136137.8 Ų137.871%0.71269%0.693SS**Hα-helixtrans-73.7-35.2173.1-169.362.7000112.4Q309 K315 N316Q309-L313 PolarHBondContact O-N 3.22Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 3.34Å; L313-N316 PolarHBondContact O-N 2.98Å
314R49Very low47.9Very low191 Ų191135.3 Ų135.372%0.72169%0.692SS**Hα-helixtrans-67.3-30.1-179.6-159.4-177.1-172.6-1561.6113.1N316R314-N316 VanDerWaalsContact C-N 3.26Å; R314-N316 PolarHBondContact O-N 3.16Å
315K47.3Very low47.1Very low177 Ų177133.3 Ų133.377%0.7769%0.694SS**THydrogen-bonded Turntrans-74.9-9.2-177.2-168.8166.7178.9177.90114.5L313L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 3.34Å
316N52.6Low46.4Very low134 Ų134135.9 Ų135.972%0.71771%0.711SS**THydrogen-bonded Turntrans-104.88.4-179.2-69.4-71.8000113.6T312 L313 R314T312-N316 PolarHBondContact O-ND2 3.39Å; L313-N316 PolarHBondContact O-N 2.98Å; R314-N316 VanDerWaalsContact C-N 3.26Å; R314-N316 PolarHBondContact O-N 3.16Å
317Q49.1Very low45.4Very low155 Ų155136.7 Ų136.772%0.72472%0.72SS**SBendtrans-97.1-10.8-179.4-157.3163.627.300113.7
318D41.6Very low44.8Very low143 Ų143137.1 Ų137.177%0.76573%0.726SS**  trans-96.114.7-175.8-62.6-62.8000114.6
319L50.7Low44Very low161 Ų161142.2 Ų142.284%0.84375%0.745SS**  trans-100.953.7179.7-167.157.5000113.3
320T37.8Very low43.3Very low117 Ų117146.1 Ų146.172%0.71876%0.755SS**  trans-136.671.9174530000114.8
321K37.3Very low42.8Very low203 Ų203142.2 Ų142.288%0.88375%0.745SS**  trans65171.2146.6-62174.5-179176.40117.5
322P47.6Very low42.1Very low108 Ų108142.1 Ų142.170%0.70175%0.745SS**  cis-127.3164-36.431.6-15000113.1
323L34.5Very low41.7Very low167 Ų167142.8 Ų142.887%0.87475%0.753SS**  164.6141.9121.3-90.5160.3000114.4
324A34Very low41.2Very low84 Ų84143.1 Ų143.169%0.69476%0.76SS**  trans-26.2137.2175.100000120.2
325S35.3Very low40.5Very low109 Ų109137.9 Ų137.976%0.76276%0.758SS**  -174.3144.794.8-77.60000114.3
326C37.8Very low39.9Very low118 Ų118134.3 Ų134.380%0.79776%0.761SS**  trans10.9151.5142.5-52.80000120
327V33.9Very low39.1Very low119 Ų119132.4 Ų132.472%0.72176%0.764SS**  cis177.9142.40.6132.40000105
328L43.5Very low38.4Very low154 Ų154129.9 Ų129.981%0.80677%0.77SS**  trans25.1124.8155.5-54.3172.9000122.6
329L35.8Very low38.2Very low164 Ų164131 Ų13186%0.85978%0.775SS**  -174.2123.2114.7-137.459.9000108.4
330R37.9Very low38.2Very low198 Ų198128.9 Ų128.975%0.74777%0.77SS**  cis84121.142.5-138.6-149.9157.2160.4-5.9114.2
331Q39.1Very low39Very low127 Ų127128.4 Ų128.459%0.59377%0.77SS**  trans78.3154.3156.4-56.9-53.8-97.800117.9
332L38.6Very low39.1Very low131 Ų131127.1 Ų127.169%0.68677%0.771SS**  cis-160.9132.5-8.5-100.9157.7000106.6
333S42.8Very low38.8Very low102 Ų102126.1 Ų126.171%0.71377%0.772SS**  73.4160.498.7-69.40000119.7
334V38.9Very low39.6Very low144 Ų144123 Ų12387%0.87376%0.762SS**  trans87.7136.6165.8-174.10000116.5
335A34.3Very low39.7Very low81 Ų81128.3 Ų128.367%0.66977%0.77SS**  cis-171.2163.7-27.500000110.7
336A36.1Very low39.5Very low101 Ų101127.8 Ų127.884%0.83577%0.766SS**  trans47.8155.9137.400000122.6
337A34.3Very low39.2Very low94 Ų94129.2 Ų129.278%0.77777%0.765SS**  cis-174.6177.9-17.800000110.6
338A34.4Very low39.1Very low102 Ų102132 Ų13284%0.84377%0.77SS**  trans84.9159.1152.700000121.5
339L37.2Very low38.5Very low168 Ų168131.1 Ų131.188%0.8877%0.771SS**  trans-113.2-152.2-166.5-63.6164.1000112
340P51.7Low38.1Very low115 Ų115127.3 Ų127.375%0.74776%0.764SS**  -112.9-151.7-117.542.7-21.7000111.3
341P53.9Low38.2Very low108 Ų108123.8 Ų123.870%0.70176%0.764SS**  cis-133.6177.2-10.741.8-24.6000115.5
342L38.8Very low37.7Very low175 Ų175125.1 Ų125.192%0.91678%0.775SS**  169.6146.3128.6-89.7168.5000110.5
343A42.1Very low37.5Very low88 Ų88123.4 Ų123.473%0.72777%0.774SS**  trans-101.8175.8-178.300000111.1
344P50.7Low37Very low100 Ų100123.3 Ų123.365%0.64977%0.774SS**  -155.7157.975.443.6-24.8000118.2
345F36.3Very low36.7Very low197 Ų197125.6 Ų125.686%0.86477%0.774SS**  trans54.1142.1160.4-50.6-55.5000118.2
346S30.8Very low36.5Very low98 Ų98125.5 Ų125.569%0.68577%0.774SS**  cis-171.4163-1.2-1030000106.8
347L31.3Very low36.5Very low147 Ų147128.7 Ų128.777%0.7778%0.776SS**  cis-145.9144.19-104.7137.3000110.9
348Q32.4Very low36.5Very low177 Ų177134.6 Ų134.683%0.82779%0.785SS**  trans35117.2140.6-151.3159.110.600122.7
349T30.9Very low36.3Very low136 Ų136138.4 Ų138.483%0.83478%0.784SS**  trans-115.1142.8158.247.60000111.1
350A28Very low36.2Very low85 Ų85135.4 Ų135.470%0.70278%0.777SS**  trans177.5136.5152.200000107.8
351T39Very low35.4Very low124 Ų124138.6 Ų138.676%0.76178%0.782SS**  cis73102.922.377.40000117.2
352N30.2Very low34.8Very low154 Ų154138.4 Ų138.482%0.82478%0.781SS**  trans-168.5123.3144.6-92.1-28000106.6
353S33.3Very low34.9Very low95 Ų95136.6 Ų136.666%0.66477%0.772SS**  65.5125.474.590.20000111.6
354S31.7Very low34.8Very low100 Ų100138.5 Ų138.570%0.69978%0.777SS**  cis-166.5165.216.8-74.10000111.2
355H32.4Very low34.3Very low192 Ų192142 Ų14289%0.88978%0.784SS**  trans54.7134154.8-84.8-118.9000118.3
356A31.6Very low34.3Very low79 Ų79136.9 Ų136.965%0.65378%0.779SS**  -178.4171.752.300000112.2
357L34.9Very low34.4Very low169 Ų169140.6 Ų140.689%0.88579%0.79SS**  trans60.689.3158.3-51.9-176.1000119.5
358F34.7Very low34.9Very low218 Ų218141.1 Ų141.196%0.95679%0.793SS**PPolyproline II helixtrans-100.3125.2143.8-88.5-80.2000109.8
359H31.2Very low35.6Very low181 Ų181141.7 Ų141.784%0.83880%0.795SS**PPolyproline II helixtrans-80.7129.2-177.5-171.984.1000110.7
360S33.8Very low36.1Very low105 Ų105140.4 Ų140.473%0.73479%0.789SS**PPolyproline II helixtrans-91.9136.8180550000112.4
361Q35.5Very low36.4Very low182 Ų182141.3 Ų141.385%0.8580%0.797SS**  trans-136.8155.4153.1-98.2-139.2-4700111.7
362P41.9Very low36.7Very low105 Ų105142.2 Ų142.268%0.68280%0.802SS**  trans-111.2165.9-142.340.2-34.7000115.9
363L41.1Very low37.8Very low137 Ų137137.4 Ų137.472%0.71779%0.789SS**  trans-54156.2155.5-99.589.6000111.8Q365L363-Q365 HydrophobicContact CD2-CB 4.19Å; L363-Q365 HydrophobicContact CD2-CG 4.16Å
364P39.9Very low38.4Very low128 Ų128139 Ų13983%0.83180%0.797SS**  -107139.9129.331.9-26.6000110.4
365Q39.3Very low39Very low172 Ų172142 Ų14280%0.80480%0.804SS**  trans-111.5149.3-173.3-156178.84.800111.2L363L363-Q365 HydrophobicContact CD2-CB 4.19Å; L363-Q365 HydrophobicContact CD2-CG 4.16Å
366A35.5Very low39.5Very low91 Ų91138.3 Ų138.375%0.75280%0.798SS**  trans66.5123.4162.400000119.4
367L34.8Very low39.9Very low176 Ų176139.8 Ų139.892%0.92180%0.803SS**  -149.7139.5117.3-105.1168.2000109.5
368L40.4Very low40.4Very low157 Ų157137.2 Ų137.282%0.82280%0.797SS**  trans-80.3136.7-170.9-63154.3000111.1
369H47.3Very low40.9Very low189 Ų189135.8 Ų135.888%0.87579%0.793SS**  trans-147.7153.1156-100.4-80.5000111.7
370P41.6Very low41.5Very low109 Ų109133.6 Ų133.671%0.70879%0.792SS**  trans-87.2159.3-152.933.3-37.1000115.5T372P370-T372 PolarHBondContact O-N 3.48Å
371A35.3Very low42.1Very low105 Ų105133.5 Ų133.587%0.86879%0.792SS**  trans-6911617400000112G373A371-G373 PolarHBondContact O-N 2.99Å
372T44.8Very low42.7Very low143 Ų143130.8 Ų130.888%0.87779%0.787SS**  trans-78.7106.3165.744.80000109.9P370P370-T372 PolarHBondContact O-N 3.48Å
373G53.3Low43.1Very low52 Ų52133.3 Ų133.354%0.53679%0.794SS.*  trans-69.3170.4174.500000113.6A371 I375A371-G373 PolarHBondContact O-N 2.99Å; G373-I375 PolarHBondContact O-N 3.02Å
374P44.4Very low43.5Very low130 Ų130135.9 Ų135.984%0.84480%0.8SS**  trans-70.4112.9176.529.3-33.1000110.5C376P374-C376 PolarHBondContact O-N 3.02Å
375I44.8Very low43.6Very low163 Ų163135 Ų13584%0.83680%0.796SS**  trans-80.5111.4173.4-55.8175.4000108.2G373 S377G373-I375 PolarHBondContact O-N 3.02Å; I375-S377 PolarHBondContact O-N 3.21Å
376C44.4Very low44.7Very low113 Ų113132.1 Ų132.176%0.76479%0.793SS**PPolyproline II helixtrans-70.3123.4167.3-61.40000109.4P374 P378P374-C376 PolarHBondContact O-N 3.02Å; C376-P378 WeakPolarHBondContact O-CD 3.41Å
377S39.6Very low45Very low110 Ų110141.3 Ų141.377%0.76982%0.817SS**PPolyproline II helixtrans-68122.1168.2-63.40000109.8I375I375-S377 PolarHBondContact O-N 3.21Å
378P43.9Very low45.5Very low115 Ų115139.6 Ų139.675%0.74781%0.811SS**PPolyproline II helixtrans-69.2149.2171.129.3-33.5000110.7C376 T380C376-P378 WeakPolarHBondContact O-CD 3.41Å; P378-T380 PolarHBondContact O-N 3.29Å
379H46.3Very low45.8Very low189 Ų189138.7 Ų138.788%0.87581%0.811SS**PPolyproline II helixtrans-63126.3178-63.6-102.6000110.6S381H379-S381 PolarHBondContact O-N 3.42Å
380T44.6Very low45.7Very low134 Ų134135.9 Ų135.982%0.82281%0.807SS**  trans-72.7112.1170.1500000109.6P378 V382P378-T380 PolarHBondContact O-N 3.29Å; T380-V382 PolarHBondContact O-N 2.84Å
381S46.4Very low45.9Very low104 Ų104137.5 Ų137.573%0.72781%0.813SS**  trans-59.7127.3172.548.20000111.4H379 L383H379-S381 PolarHBondContact O-N 3.42Å; S381-L383 PolarHBondContact O-N 2.63Å
382V47.5Very low46.6Very low124 Ų124139.5 Ų139.575%0.75281%0.81SS**  trans-69.8114.5169.3176.50000108.4T380 F384T380-V382 PolarHBondContact O-N 2.84Å; V382-F384 HydrophobicContact CG1-CD2 3.91Å; V382-F384 HydrophobicContact CG1-CE2 4.33Å
383L48.9Very low46.7Very low159 Ų159139.3 Ų139.383%0.83281%0.805SS**  trans-98.2106.7162.2-80.6170.1000108.5S381S381-L383 PolarHBondContact O-N 2.63Å
384F51.4Low46.3Very low191 Ų191145.5 Ų145.584%0.83882%0.824SS**  trans-71.2136.5156.5-100.4-101.1000108.4V382V382-F384 HydrophobicContact CG1-CD2 3.91Å; V382-F384 HydrophobicContact CG1-CE2 4.33Å
385S40.9Very low46.4Very low108 Ų108146.7 Ų146.776%0.75582%0.823SS**  trans-135.8133.2154.1-74.40000108.1
386P62.2Low46.5Very low113 Ų113145.3 Ų145.373%0.73482%0.822SS**  trans-83.8143178.734.3-33.2000110.8
387F42.3Very low46.7Very low284 Ų284148.3 Ų148.3100%1.24683%0.827SS**  -170.60128.3-102-66.7000109.1

Retrieved 387 of 387 residues in 257 ms (Link to these results)