A0A087XGB3_POEFO Loading...

Doublesex- and mab-3-related transcription factor A2

May be involved in sexual development.

AlphaFold DB , UniProt , Accession A0A087XGB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M41Very low41.1Very low221 Ų221139.3 Ų139.3100%1.08976%0.759SS**  081.40-59.5178.3-174.500106.4
2D36.2Very low40.4Very low144 Ų144136.8 Ų136.877%0.7776%0.76SS**  cis62119.241.8-55.3-70.3000110.9
3L38.8Very low39.8Very low158 Ų158134.2 Ų134.283%0.82777%0.766SS**  cis-138.3159.78.5-74.499.4000114.5
4R48.7Very low39.2Very low166 Ų166132.2 Ų132.263%0.62677%0.765SS**  trans-107.5135.7146.9-178.5-171171.8-105.9-15.6108.2E6R4-E6 IonicContact CZ-OE1 3.18Å; R4-E6 IonicContact CZ-OE2 3.8Å; R4-E6 IonicContact NH1-OE1 2.71Å; R4-E6 PolarHBondContact NH1-OE1 3.18Å; R4-E6 IonicContact NH1-OE2 3.44Å; R4-E6 PolarHBondContact NH1-OE2 3.43Å; R4-E6 IonicContact NH2-OE1 2.73Å; R4-E6 PolarHBondContact NH2-OE1 3.27Å; R4-E6 IonicContact NH2-OE2 2.96Å
5P56.8Low38.8Very low104 Ų104135.6 Ų135.668%0.67577%0.771SS**  -144.7163.8126.634-17.8000112.5
6E36.5Very low38.4Very low123 Ų123134 Ų13458%0.57576%0.764SS**  cis-157.9-178.5-22.5-113.4-37.5-29.900110.1R4R4-E6 IonicContact CZ-OE1 3.18Å; R4-E6 IonicContact CZ-OE2 3.8Å; R4-E6 IonicContact NH1-OE1 2.71Å; R4-E6 PolarHBondContact NH1-OE1 3.18Å; R4-E6 IonicContact NH1-OE2 3.44Å; R4-E6 PolarHBondContact NH1-OE2 3.43Å; R4-E6 IonicContact NH2-OE1 2.73Å; R4-E6 PolarHBondContact NH2-OE1 3.27Å; R4-E6 IonicContact NH2-OE2 2.96Å
7L39.2Very low38.3Very low130 Ų130136.1 Ų136.168%0.68177%0.766SS**  trans-124.1165.4153.2-74174.7000109.5
8P49.2Very low38.8Very low130 Ų130135.4 Ų135.484%0.84477%0.768SS**  -141167.612337.5-25.4000114.9
9T38.6Very low38.2Very low122 Ų122132.3 Ų132.375%0.74877%0.769SS**  trans-135.7135.2-174.2-55.30000111.6
10V34.5Very low37.9Very low132 Ų132131.1 Ų131.180%0.878%0.775SS**  trans-160.2130.4156.3-92.80000106.7
11S32.5Very low37.5Very low102 Ų102129.7 Ų129.771%0.71378%0.778SS**  70.1136.465.9-56.60000113.8
12S32.7Very low37Very low110 Ų110124.1 Ų124.177%0.76977%0.767SS**  cis-170.3169.6-9.7-98.90000110.5
13A32.4Very low36.9Very low102 Ų102121.7 Ų121.784%0.84377%0.767SS**  trans68.9167.7167.100000117.7
14S31.8Very low36.6Very low107 Ų107119.3 Ų119.375%0.74877%0.771SS**  cis179.3142.6-37.7-176.40000109
15Q32.8Very low35.9Very low183 Ų183116 Ų11686%0.85578%0.778SS**  trans145.8105.5147.5-79.2-175.612.100112.2
16V32.3Very low35.1Very low110 Ų110116 Ų11667%0.66779%0.788SS**  73136.486.4-122.80000119.9
17H37.2Very low35.2Very low169 Ų169115 Ų11578%0.78280%0.8SS**  trans73.2165160.7-57-58.5000119
18P46.4Very low35.1Very low124 Ų124114.1 Ų114.181%0.80581%0.805SS**  -119.5174.6-58.136.7-22.9000109.7
19G28Very low34.9Very low76 Ų76115.1 Ų115.178%0.78480%0.802SS**  cis122.4112.622.700000108.9
20A32.1Very low35.3Very low109 Ų109114.9 Ų114.990%0.90180%0.802SS**  trans-145.1138.317500000109.3
21A30.4Very low35.7Very low101 Ų101113.9 Ų113.984%0.83580%0.796SS**  trans-141.6178.5-17200000111.4
22A30.7Very low36.6Very low105 Ų105114.9 Ų114.987%0.86880%0.803SS**  trans72.2151.4-177.300000114.8
23A32.4Very low37.2Very low92 Ų92117.7 Ų117.776%0.7681%0.806SS**  cis-137.3147.4-1.100000111.4
24A33.8Very low37.6Very low109 Ų109118.1 Ų118.190%0.90181%0.809SS**  trans-87130.3154.400000108.2
25A33.3Very low38Very low95 Ų95116.2 Ų116.279%0.78581%0.806SS**  trans-144.4127172.800000109.6
26A39.4Very low38.5Very low106 Ų106115.3 Ų115.388%0.87681%0.808SS**  trans-77.3136.216900000109.4
27A39.5Very low39.6Very low101 Ų101118.4 Ų118.484%0.83582%0.82SS**  trans-111.6114.617300000109.3
28S36.9Very low40.5Very low112 Ų112118.9 Ų118.978%0.78383%0.827SS**PPolyproline II helixtrans-75.4160-175.9-61.10000113.3P30S28-P30 WeakPolarHBondContact O-CD 3.47Å
29I45.7Very low40.7Very low151 Ų151124.5 Ų124.577%0.77483%0.832SS**PPolyproline II helixtrans-57.6134.7170.6-60160.6000111.1V31I29-V31 HydrophobicContact CG2-CG2 3.8Å
30P47.4Very low41.8Very low117 Ų117123.6 Ų123.676%0.7682%0.823SS**PPolyproline II helixtrans-100.1122.4145.632.9-27000110.3S28S28-P30 WeakPolarHBondContact O-CD 3.47Å
31V42.1Very low42.7Very low111 Ų111123.8 Ų123.867%0.67382%0.815SS**PPolyproline II helixtrans-84.3125.9168.2174.50000108.3I29 M33I29-V31 HydrophobicContact CG2-CG2 3.8Å; V31-M33 HydrophobicContact CG1-CG 4.09Å
32S51.3Low43.7Very low123 Ų123124.3 Ų124.386%0.8681%0.809SS**  trans-124.5128.6162.8-77.20000109.5
33M45.2Very low44.9Very low169 Ų169126.7 Ų126.783%0.83381%0.807SS**  trans-105.1163.1-171.5-82.2-75.3-164.700112.7V31V31-M33 HydrophobicContact CG1-CG 4.09Å
34A40.6Very low46Very low110 Ų110130 Ų13091%0.90981%0.811SS**  trans70.1141.5161.200000118
35G39.8Very low46.9Very low67 Ų67132.8 Ų132.869%0.69181%0.81SS**  trans13836.617000000118.4
36N44.5Very low47.5Very low165 Ų165139.3 Ų139.388%0.88281%0.814SS**  trans-179.873149.8-94.7-22.8000112.5L38N36-L38 PolarHBondContact O-N 3Å
37L54.3Low48Very low175 Ų175137.9 Ų137.992%0.91680%0.802SS**  trans-85.290.1172-65176.8000110.4
38L57Low48.8Very low178 Ų178136.7 Ų136.793%0.93279%0.793SS**  trans178.644.7151.7-100.7164000114.1N36N36-L38 PolarHBondContact O-N 3Å
39R49.9Very low49.4Very low243 Ų243138.9 Ų138.992%0.91780%0.796SS**  trans-136.7109.7159.4-150.8159.8-164.2145.95.7110.1
40G51Low50Low57 Ų57140.2 Ų140.259%0.58880%0.796SS**  trans-58.1151.9176.900000111P42G40-P42 WeakPolarHBondContact O-CD 3.46Å; G40-P42 VanDerWaalsContact O-N 3.16Å
41P51.8Low50.7Low113 Ų113143.9 Ų143.973%0.73480%0.796SS**  trans-58.9121.9-175.824.5-33.7000109.5L43P41-L43 PolarHBondContact O-N 3.45Å
42P51.3Low52.3Low111 Ų111144.1 Ų144.172%0.72180%0.8SS**  trans-65.9102.117027.1-31.4000107.1G40 L44G40-P42 WeakPolarHBondContact O-CD 3.46Å; G40-P42 VanDerWaalsContact O-N 3.16Å; P42-L44 WeakPolarHBondContact O-CA 3.43Å; P42-L44 PolarHBondContact O-N 3.19Å
43L55.5Low53.9Low155 Ų155149.5 Ų149.581%0.81280%0.801SS**  trans-50.1118.8172.8-66.1-175.2000107.2P41 L45P41-L43 PolarHBondContact O-N 3.45Å; L43-L45 PolarHBondContact O-N 3.04Å
44L56.5Low55.7Low161 Ų161146.6 Ų146.684%0.84379%0.793SS**  trans-54.4109.6-151.9-68171.1000111.1P42 R46P42-L44 WeakPolarHBondContact O-CA 3.43Å; P42-L44 PolarHBondContact O-N 3.19Å; L44-R46 PolarHBondContact O-N 2.6Å
45L50.9Low58.2Low169 Ų169145.4 Ų145.489%0.88578%0.776SS**  trans-62.380.5152.6-106.673.1000106.1L43 A47L43-L45 PolarHBondContact O-N 3.04Å; L45-A47 PolarHBondContact O-N 2.92Å
46R47.7Very low60.8Low231 Ų231148.7 Ų148.787%0.87277%0.771SS**  trans-68.877164.7-172.7-178.1-174.5111.88.5105.6L44 A48L44-R46 PolarHBondContact O-N 2.6Å; R46-A48 PolarHBondContact O-N 3.35Å
47A49.6Very low63.3Low76 Ų76141.2 Ų141.263%0.62873%0.732SS**  trans-46.5115.3-178.700000107.2L45 D49L45-A47 PolarHBondContact O-N 2.92Å; A47-D49 PolarHBondContact O-N 3.15Å
48A55Low65.2Low77 Ų77134.5 Ų134.564%0.63670%0.702SS**  trans-54.4131.4-168.400000109.1R46 K50R46-A48 PolarHBondContact O-N 3.35Å; A48-K50 WeakPolarHBondContact O-CA 3.43Å; A48-K50 WeakPolarHBondContact O-CB 3.31Å; A48-K50 PolarHBondContact O-N 3.21Å
49D51Low67.1Low158 Ų158128.5 Ų128.585%0.84567%0.667SS**  trans-68.591.8178-141.3-36.1000106.6A47 Y51A47-D49 PolarHBondContact O-N 3.15Å; D49-Y51 PolarHBondContact O-N 3.34Å
50K56.6Low69.4Low178 Ų178117 Ų11777%0.77462%0.623SS**  trans-81.634.7-148.844.4-178.7162.3-72.10114A48A48-K50 WeakPolarHBondContact O-CA 3.43Å; A48-K50 WeakPolarHBondContact O-CB 3.31Å; A48-K50 PolarHBondContact O-N 3.21Å
51Y63.3Low71.5Confident194 Ų194122.4 Ų122.476%0.76163%0.626SS**SBendtrans-116.2106.9169.4-98.8-89.9000109.9D49 R53D49-Y51 PolarHBondContact O-N 3.34Å; Y51-R53 PolarHBondContact O-N 2.88Å
52P76.4Confident73.7Confident117 Ų117118.2 Ų118.276%0.7660%0.597SS**  trans-60.5109.5172.225.2-32.6000108.8T54P52-T54 PolarHBondContact O-N 3.3Å; P52-T54 VanDerWaalsContact O-N 3.08Å
53R83.3Confident75.8Confident235 Ų235115.9 Ų115.989%0.88758%0.577SS**PPolyproline II helixtrans-57.5116.7-175.5-71.2-63.5-147.7-178.34.1109.7Y51Y51-R53 PolarHBondContact O-N 2.88Å
54T83.4Confident77.8Confident108 Ų108111.8 Ų111.866%0.66357%0.572SS**PPolyproline II helixtrans-60129-178.247.80000110.6P52P52-T54 PolarHBondContact O-N 3.3Å; P52-T54 VanDerWaalsContact O-N 3.08Å
55P93Very high79.6Confident85 Ų85107.2 Ų107.255%0.55255%0.55SS**PPolyproline II helixtrans-66.2139.2-176.424.9-33.2000110.4L69P55-L69 HydrophobicContact CB-CB 4.17Å; P55-L69 HydrophobicContact CB-CD2 4.13Å; P55-L69 HydrophobicContact CG-CB 4.27Å; P55-L69 VanDerWaalsContact O-CB 3.25Å; P55-L69 WeakPolarHBondContact O-CB 3.19Å; P55-L69 PolarHBondContact O-N 3.33Å
56K95.1Very high81.7Confident136 Ų136104.1 Ų104.159%0.59154%0.538SS*.BIsolated β-bridgetrans-104.8148.1-179.2-71.8-178.9-82.6-170.80111.1A58 V66 S67K56-A58 PolarHBondContact O-N 3.22Å; K56-A58 VanDerWaalsContact O-N 3.17Å; K56-V66 HydrophobicContact CD-CG1 3.65Å; K56-V66 HydrophobicContact CG-CG1 4.35Å; K56-S67 CarbonylContact C-O 3.56Å; K56-S67 WeakPolarHBondContact CA-O 3.31Å
57C95.8Very high83.9Confident9 Ų994.9 Ų94.96%0.06151%0.509CS..  trans-68.3113.2178.6-173.50000111.2R59 C60 R61 S67 L69C57-R59 PolarHBondContact O-N 3.42Å; C57-C60 HydrophobicContact CB-CB 4.13Å; C57-C60 PolarHBondContact O-N 3.18Å; C57-R61 PolarHBondContact O-N 3.34Å; C57-R61 VanDerWaalsContact O-N 3.15Å; C57-S67 PolarHBondContact N-O 3.14Å; C57-L69 HydrophobicContact CB-CD1 4.36Å
58A95.7Very high86Confident33 Ų3393.8 Ų93.827%0.27350%0.5SS..Hα-helixtrans-69.8-31.7-176.500000113K56 R61 N62 I89K56-A58 PolarHBondContact O-N 3.22Å; K56-A58 VanDerWaalsContact O-N 3.17Å; A58-R61 PolarHBondContact O-N 2.9Å; A58-N62 PolarHBondContact O-N 3.02Å; A58-N62 PolarHBondContact O-OD1 3.42Å; A58-I89 HydrophobicContact CB-CD1 3.81Å; A58-I89 HydrophobicContact CB-CG2 4.43Å
59R96.7Very high87.9Confident53 Ų5393.7 Ų93.720%0.249%0.489CS..Hα-helixtrans-62.4-50.9172.9-77.2175.7167.4-83.8-1.6111.3C57 R61 N62 H63 W78 K79 C81C57-R59 PolarHBondContact O-N 3.42Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.45Å; R59-N62 WeakPolarHBondContact O-CB 3.48Å; R59-N62 PolarHBondContact O-N 3.06Å; R59-N62 VanDerWaalsContact O-N 3.16Å; R59-H63 PolarHBondContact O-CD2 2.86Å; R59-H63 VanDerWaalsContact O-CD2 3.32Å; R59-W78 HydrophobicContact CB-CB 4.5Å; R59-W78 WeakPolarHBondContact CD-O 3.31Å; R59-W78 PolarHBondContact NH1-O 3.29Å; R59-K79 PolarHBondContact NE-O 2.68Å; R59-K79 PolarHBondContact NH1-O 3.03Å; R59-K79 PolarHBondContact NH2-O 3.5Å; R59-C81 PolarHBondContact NH1-O 2.99Å
60C97Very high89.8Confident1 Ų195.7 Ų95.71%0.00749%0.49CS..Hα-helixtrans-60.5-41.3178-57.70000112.3C57 N62 H63 G64 V65 H72 C76 W78C57-C60 HydrophobicContact CB-CB 4.13Å; C57-C60 PolarHBondContact O-N 3.18Å; C60-N62 PolarHBondContact O-N 3.35Å; C60-H63 CarbonylContact O-C 2.95Å; C60-H63 WeakPolarHBondContact O-CA 3.49Å; C60-H63 PolarHBondContact O-N 2.92Å; C60-G64 PolarHBondContact O-N 3.44Å; C60-V65 CarbonylContact C-O 3.58Å; C60-V65 WeakPolarHBondContact CB-O 3.42Å; C60-V65 PolarHBondContact O-N 2.86Å; C60-V65 VanDerWaalsContact O-N 3.15Å; C60-V65 VanDerWaalsContact O-O 3.09Å; C60-H72 PolarHBondContact SG-NE2 3.45Å; C60-C76 PolarHBondContact SG-SG 2.93Å; C60-W78 HydrophobicContact CB-CE3 4.01Å; C60-W78 HydrophobicContact CB-CZ3 3.9Å; C60-W78 VanDerWaalsContact SG-CE3 3.51Å
61R96.4Very high91.5Very high171 Ų17189.8 Ų89.865%0.64548%0.48SS*.Hα-helixtrans-57.2-35.9177.2-170.8-175.867.2143.50.7112.5C57 A58 R59 H63 G64 V65C57-R61 PolarHBondContact O-N 3.34Å; C57-R61 VanDerWaalsContact O-N 3.15Å; A58-R61 PolarHBondContact O-N 2.9Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.45Å; R61-H63 PolarHBondContact O-N 2.86Å; R61-G64 PolarHBondContact O-N 3.15Å; R61-V65 PolarHBondContact N-O 2.88Å
62N96.3Very high93.1Very high24 Ų2482 Ų8213%0.12845%0.45CS..Hα-helixtrans-64.3-24.5176.2-70.4-11.3000113.6A58 R59 C60 K85 C86 I89A58-N62 PolarHBondContact O-N 3.02Å; A58-N62 PolarHBondContact O-OD1 3.42Å; R59-N62 WeakPolarHBondContact O-CB 3.48Å; R59-N62 PolarHBondContact O-N 3.06Å; R59-N62 VanDerWaalsContact O-N 3.16Å; C60-N62 PolarHBondContact O-N 3.35Å; N62-K85 HydrophobicContact CB-CB 4.06Å; N62-K85 PolarHBondContact ND2-O 3.24Å; N62-K85 PolarHBondContact O-NZ 3.41Å; N62-C86 PolarHBondContact ND2-N 3.24Å; N62-C86 PolarHBondContact ND2-SG 3Å; N62-I89 WeakPolarHBondContact ND2-CD1 3.46Å
63H97.3Very high93.8Very high62 Ų6284.6 Ų84.629%0.28745%0.449SS..THydrogen-bonded Turntrans-106.420.9179.2-61.7-79.3000112.4R59 C60 R61 V65 W78 C81 C83 C86R59-H63 PolarHBondContact O-CD2 2.86Å; R59-H63 VanDerWaalsContact O-CD2 3.32Å; C60-H63 CarbonylContact O-C 2.95Å; C60-H63 WeakPolarHBondContact O-CA 3.49Å; C60-H63 PolarHBondContact O-N 2.92Å; R61-H63 PolarHBondContact O-N 2.86Å; H63-V65 VanDerWaalsContact C-N 3.3Å; H63-V65 PolarHBondContact O-N 3.36Å; H63-W78 HydrophobicContact CB-CD2 4.01Å; H63-W78 HydrophobicContact CB-CG 4.4Å; H63-W78 HydrophobicContact CB-CH2 4.35Å; H63-W78 HydrophobicContact CB-CZ2 3.74Å; H63-W78 AromaticContact CD2-CD1 3.3Å; H63-W78 AromaticContact CD2-CD2 3.83Å; H63-W78 AromaticContact CD2-CG 3.35Å; H63-W78 AromaticContact CD2-NE1 3.71Å; H63-W78 AromaticContact CE1-CD1 3.78Å; H63-W78 AromaticContact CG-CD1 3.55Å; H63-W78 AromaticContact CG-CE2 3.76Å; H63-W78 AromaticContact CG-CG 3.9Å; H63-W78 AromaticContact CG-NE1 3.45Å; H63-W78 AromaticContact ND1-CD1 3.83Å; H63-W78 AromaticContact ND1-NE1 3.75Å; H63-W78 AromaticContact NE2-CD1 3.49Å; H63-W78 AromaticContact NE2-CG 3.83Å; H63-C81 VanDerWaalsContact CE1-SG 3.56Å; H63-C81 PolarHBondContact NE2-SG 2.96Å; H63-C81 VanDerWaalsContact NE2-SG 3.41Å; H63-C83 VanDerWaalsContact CE1-SG 3.56Å; H63-C86 PolarHBondContact NE2-SG 2.98Å; H63-C86 VanDerWaalsContact NE2-SG 3.44Å
64G96.1Very high94.3Very high69 Ų6982.2 Ų82.271%0.71144%0.44SS*.THydrogen-bonded Turntrans81.5-8.517300000116.2C60 R61C60-G64 PolarHBondContact O-N 3.44Å; R61-G64 PolarHBondContact O-N 3.15Å
65V95.8Very high94.9Very high65 Ų6584.9 Ų84.939%0.39444%0.439SS..  trans-100.5127.2-177.3176.40000111.3C60 R61 H63 W78C60-V65 CarbonylContact C-O 3.58Å; C60-V65 WeakPolarHBondContact CB-O 3.42Å; C60-V65 PolarHBondContact O-N 2.86Å; C60-V65 VanDerWaalsContact O-N 3.15Å; C60-V65 VanDerWaalsContact O-O 3.09Å; R61-V65 PolarHBondContact N-O 2.88Å; H63-V65 VanDerWaalsContact C-N 3.3Å; H63-V65 PolarHBondContact O-N 3.36Å; V65-W78 HydrophobicContact CB-CH2 3.81Å; V65-W78 HydrophobicContact CB-CZ3 4.05Å; V65-W78 HydrophobicContact CG1-CH2 4.45Å; V65-W78 HydrophobicContact CG1-CZ3 4.46Å; V65-W78 HydrophobicContact CG2-CH2 3.71Å; V65-W78 HydrophobicContact CG2-CZ3 4.45Å
66V94.2Very high95.1Very high104 Ų10481.3 Ų81.363%0.6342%0.417SS*.  trans-88.5127173.2176.80000109.8K56K56-V66 HydrophobicContact CD-CG1 3.65Å; K56-V66 HydrophobicContact CG-CG1 4.35Å
67S94.4Very high95.2Very high37 Ų3784.3 Ų84.326%0.25942%0.424SS..  trans-140.3145.7171.2-166.50000110.1K56 C57 H72K56-S67 CarbonylContact C-O 3.56Å; K56-S67 WeakPolarHBondContact CA-O 3.31Å; C57-S67 PolarHBondContact N-O 3.14Å; S67-H72 PolarHBondContact OG-ND1 3.33Å
68A94Very high95.2Very high53 Ų5386.1 Ų86.144%0.43843%0.43SS..BIsolated β-bridgetrans-68.7144.3173.600000110.2H72A68-H72 WeakPolarHBondContact O-CB 3.41Å
69L93.5Very high95.2Very high76 Ų7689.2 Ų89.240%0.39844%0.437SS..SBendtrans-79.1-24.1-175.3-174.459.4000113.2P55 C57 G71 H72P55-L69 HydrophobicContact CB-CB 4.17Å; P55-L69 HydrophobicContact CB-CD2 4.13Å; P55-L69 HydrophobicContact CG-CB 4.27Å; P55-L69 VanDerWaalsContact O-CB 3.25Å; P55-L69 WeakPolarHBondContact O-CB 3.19Å; P55-L69 PolarHBondContact O-N 3.33Å; C57-L69 HydrophobicContact CB-CD1 4.36Å; L69-G71 PolarHBondContact O-N 2.92Å; L69-H72 PolarHBondContact O-N 2.86Å
70K91.9Very high95.2Very high200 Ų20092 Ų9287%0.8746%0.456SS*.THydrogen-bonded Turntrans-60.7126.3176.6-175.473.2174.5-175.10109.4H72K70-H72 PolarHBondContact O-N 3.14Å
71G92.4Very high95.2Very high54 Ų5493.6 Ų93.656%0.55747%0.467SS*.THydrogen-bonded Turntrans72.7-34.3-175.600000115.3L69 K73L69-G71 PolarHBondContact O-N 2.92Å; G71-K73 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 3.37Å; G71-K73 VanDerWaalsContact O-N 3.14Å
72H95.4Very high95.3Very high31 Ų3193.4 Ų93.414%0.14448%0.475CS..THydrogen-bonded Turntrans-67.1-16-168.9-172.379.8000116.1C60 S67 A68 L69 K70 R74 Y75 C76C60-H72 PolarHBondContact SG-NE2 3.45Å; S67-H72 PolarHBondContact OG-ND1 3.33Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; L69-H72 PolarHBondContact O-N 2.86Å; K70-H72 PolarHBondContact O-N 3.14Å; H72-R74 PolarHBondContact O-N 2.79Å; H72-R74 VanDerWaalsContact O-N 3.12Å; H72-Y75 CarbonylContact O-C 3.58Å; H72-Y75 PolarHBondContact O-N 2.89Å; H72-C76 WeakPolarHBondContact NE2-CA 3.33Å; H72-C76 WeakPolarHBondContact NE2-CB 3.39Å; H72-C76 PolarHBondContact NE2-SG 2.94Å; H72-C76 VanDerWaalsContact NE2-SG 3.45Å; H72-C76 WeakPolarHBondContact O-CB 3.45Å; H72-C76 PolarHBondContact O-N 2.93Å; H72-C76 VanDerWaalsContact O-N 3.15Å
73K93Very high95.3Very high171 Ų17194.4 Ų94.474%0.74348%0.484SS*.THydrogen-bonded Turntrans-54.8-34.4-176.6-175.3175.6-174.7-76.30113.9G71G71-K73 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 3.37Å; G71-K73 VanDerWaalsContact O-N 3.14Å
74R93.9Very high95.4Very high184 Ų18495 Ų9569%0.69450%0.499SS*.THydrogen-bonded Turntrans-82.6-45.8177.6-62.7-167.9-58.3-113.62.6112.1H72 C76H72-R74 PolarHBondContact O-N 2.79Å; H72-R74 VanDerWaalsContact O-N 3.12Å; R74-C76 PolarHBondContact O-N 3.17Å
75Y95.5Very high95.4Very high164 Ų16497.5 Ų97.564%0.64349%0.49SS*.SBendtrans-86.924.1-174.7-44.7-73.4000113.5H72 R77H72-Y75 CarbonylContact O-C 3.58Å; H72-Y75 PolarHBondContact O-N 2.89Å; Y75-R77 PolarHBondContact O-N 3.36Å
76C96.3Very high95.5Very high11 Ų1194.4 Ų94.47%0.07447%0.472CS..  trans-81.8112.5-178.3-174.90000110.3C60 H72 R74 W78 K79C60-C76 PolarHBondContact SG-SG 2.93Å; H72-C76 WeakPolarHBondContact NE2-CA 3.33Å; H72-C76 WeakPolarHBondContact NE2-CB 3.39Å; H72-C76 PolarHBondContact NE2-SG 2.94Å; H72-C76 VanDerWaalsContact NE2-SG 3.45Å; H72-C76 WeakPolarHBondContact O-CB 3.45Å; H72-C76 PolarHBondContact O-N 2.93Å; H72-C76 VanDerWaalsContact O-N 3.15Å; R74-C76 PolarHBondContact O-N 3.17Å; C76-W78 PolarHBondContact O-N 3.43Å; C76-K79 HydrophobicContact CB-CB 4.15Å; C76-K79 VanDerWaalsContact O-CB 3.25Å; C76-K79 WeakPolarHBondContact O-CB 3.49Å; C76-K79 PolarHBondContact O-N 3.18Å
77R96.9Very high95.7Very high199 Ų19993 Ų9375%0.75146%0.463SS*.THydrogen-bonded Turntrans-58.3-13.1178.1-167.9165.468.1-179.43.5114.4Y75Y75-R77 PolarHBondContact O-N 3.36Å
78W97.2Very high95.9Very high46 Ų4697 Ų9717%0.17448%0.481CS..THydrogen-bonded Turntrans-121.222175.3-55.5-84.9000113.2R59 C60 H63 V65 C76 D80 C81R59-W78 HydrophobicContact CB-CB 4.5Å; R59-W78 WeakPolarHBondContact CD-O 3.31Å; R59-W78 PolarHBondContact NH1-O 3.29Å; C60-W78 HydrophobicContact CB-CE3 4.01Å; C60-W78 HydrophobicContact CB-CZ3 3.9Å; C60-W78 VanDerWaalsContact SG-CE3 3.51Å; H63-W78 HydrophobicContact CB-CD2 4.01Å; H63-W78 HydrophobicContact CB-CG 4.4Å; H63-W78 HydrophobicContact CB-CH2 4.35Å; H63-W78 HydrophobicContact CB-CZ2 3.74Å; H63-W78 AromaticContact CD2-CD1 3.3Å; H63-W78 AromaticContact CD2-CD2 3.83Å; H63-W78 AromaticContact CD2-CG 3.35Å; H63-W78 AromaticContact CD2-NE1 3.71Å; H63-W78 AromaticContact CE1-CD1 3.78Å; H63-W78 AromaticContact CG-CD1 3.55Å; H63-W78 AromaticContact CG-CE2 3.76Å; H63-W78 AromaticContact CG-CG 3.9Å; H63-W78 AromaticContact CG-NE1 3.45Å; H63-W78 AromaticContact ND1-CD1 3.83Å; H63-W78 AromaticContact ND1-NE1 3.75Å; H63-W78 AromaticContact NE2-CD1 3.49Å; H63-W78 AromaticContact NE2-CG 3.83Å; V65-W78 HydrophobicContact CB-CH2 3.81Å; V65-W78 HydrophobicContact CB-CZ3 4.05Å; V65-W78 HydrophobicContact CG1-CH2 4.45Å; V65-W78 HydrophobicContact CG1-CZ3 4.46Å; V65-W78 HydrophobicContact CG2-CH2 3.71Å; V65-W78 HydrophobicContact CG2-CZ3 4.45Å; C76-W78 PolarHBondContact O-N 3.43Å; W78-D80 PolarHBondContact O-N 2.84Å; W78-C81 HydrophobicContact CB-CB 3.93Å; W78-C81 WeakPolarHBondContact O-CB 3.46Å; W78-C81 PolarHBondContact O-N 2.76Å; W78-C81 VanDerWaalsContact O-N 3.15Å
79K95.8Very high96Very high99 Ų9995.5 Ų95.543%0.4347%0.466SS..THydrogen-bonded Turntrans-44.3-47.9178.7176.5-173.5157.4-720111.9R59 C76R59-K79 PolarHBondContact NE-O 2.68Å; R59-K79 PolarHBondContact NH1-O 3.03Å; R59-K79 PolarHBondContact NH2-O 3.5Å; C76-K79 HydrophobicContact CB-CB 4.15Å; C76-K79 VanDerWaalsContact O-CB 3.25Å; C76-K79 WeakPolarHBondContact O-CB 3.49Å; C76-K79 PolarHBondContact O-N 3.18Å
80D96Very high96.1Very high111 Ų11193.6 Ų93.659%0.59446%0.461SS*.THydrogen-bonded Turntrans-111.617-173.5-52.8-61.5000112.8W78 M82W78-D80 PolarHBondContact O-N 2.84Å; D80-M82 PolarHBondContact O-N 2.71Å
81C97.3Very high96.4Very high35 Ų3588 Ų8824%0.23644%0.438CS..  trans-65.8131.7177-176.80000111.6R59 H63 W78 C86R59-C81 PolarHBondContact NH1-O 2.99Å; H63-C81 VanDerWaalsContact CE1-SG 3.56Å; H63-C81 PolarHBondContact NE2-SG 2.96Å; H63-C81 VanDerWaalsContact NE2-SG 3.41Å; W78-C81 HydrophobicContact CB-CB 3.93Å; W78-C81 WeakPolarHBondContact O-CB 3.46Å; W78-C81 PolarHBondContact O-N 2.76Å; W78-C81 VanDerWaalsContact O-N 3.15Å; C81-C86 WeakPolarHBondContact O-CB 3.43Å
82M97.5Very high96.7Very high166 Ų16693.6 Ų93.682%0.81844%0.442SS*.  trans-105.511.7-176.9-61.4176.367.500114.3D80 T87D80-M82 PolarHBondContact O-N 2.71Å; M82-T87 PolarHBondContact O-OG1 2.79Å; M82-T87 VanDerWaalsContact O-OG1 3.07Å
83C98.1Very high96.8Very high46 Ų4697.5 Ų97.531%0.31146%0.46SS..SBendtrans-62.1150.717577.30000111.1H63 K85 C86 T87H63-C83 VanDerWaalsContact CE1-SG 3.56Å; C83-K85 VanDerWaalsContact C-N 3.26Å; C83-K85 PolarHBondContact O-N 2.93Å; C83-C86 WeakPolarHBondContact O-CA 3.45Å; C83-C86 PolarHBondContact O-N 3.36Å; C83-T87 PolarHBondContact O-N 3.4Å; C83-T87 PolarHBondContact O-OG1 3.28Å
84A97.7Very high97Very high74 Ų7497 Ų9761%0.61245%0.454SS*.Hα-helixtrans-48.2-43.4-173.200000114.1C86 T87 L88A84-C86 VanDerWaalsContact C-N 3.29Å; A84-C86 PolarHBondContact O-N 3.2Å; A84-T87 PolarHBondContact O-N 2.71Å; A84-L88 WeakPolarHBondContact O-CB 3.49Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.34Å; A84-L88 PolarHBondContact O-N 3.34Å
85K97.7Very high97.2Very high121 Ų12192.2 Ų92.253%0.52645%0.445SS..Hα-helixtrans-59.5-35.5176.3-71.6-175.3-77.2177.70113.3N62 C83 I89N62-K85 HydrophobicContact CB-CB 4.06Å; N62-K85 PolarHBondContact ND2-O 3.24Å; N62-K85 PolarHBondContact O-NZ 3.41Å; C83-K85 VanDerWaalsContact C-N 3.26Å; C83-K85 PolarHBondContact O-N 2.93Å; K85-I89 WeakPolarHBondContact O-CG1 3.49Å
86C97.7Very high97.3Very high0 Ų089.4 Ų89.40%044%0.439CS..Hα-helixtrans-83.1-36.1178.9-73.40000112.1N62 H63 C81 C83 A84 I89 A90N62-C86 PolarHBondContact ND2-N 3.24Å; N62-C86 PolarHBondContact ND2-SG 3Å; H63-C86 PolarHBondContact NE2-SG 2.98Å; H63-C86 VanDerWaalsContact NE2-SG 3.44Å; C81-C86 WeakPolarHBondContact O-CB 3.43Å; C83-C86 WeakPolarHBondContact O-CA 3.45Å; C83-C86 PolarHBondContact O-N 3.36Å; A84-C86 VanDerWaalsContact C-N 3.29Å; A84-C86 PolarHBondContact O-N 3.2Å; C86-I89 PolarHBondContact O-N 2.84Å; C86-I89 VanDerWaalsContact O-N 3.14Å; C86-A90 PolarHBondContact O-N 3.28Å
87T98.1Very high97.4Very high75 Ų7591.8 Ų91.846%0.4646%0.459SS..Hα-helixtrans-61.2-44.3173.1-52.20000111.5M82 C83 A84 I89 A90 E91M82-T87 PolarHBondContact O-OG1 2.79Å; M82-T87 VanDerWaalsContact O-OG1 3.07Å; C83-T87 PolarHBondContact O-N 3.4Å; C83-T87 PolarHBondContact O-OG1 3.28Å; A84-T87 PolarHBondContact O-N 2.71Å; T87-I89 PolarHBondContact O-N 2.99Å; T87-A90 WeakPolarHBondContact O-CB 3.3Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 VanDerWaalsContact O-N 3.11Å; T87-E91 PolarHBondContact O-N 2.89Å
88L97.3Very high97.5Very high121 Ų12185.3 Ų85.363%0.63445%0.448SS*.Hα-helixtrans-61.3-26.3174.1-71.5169.8000113.9A84 R92A84-L88 WeakPolarHBondContact O-CB 3.49Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.34Å; A84-L88 PolarHBondContact O-N 3.34Å; L88-R92 WeakPolarHBondContact O-CB 3.3Å; L88-R92 PolarHBondContact O-N 2.85Å; L88-R92 VanDerWaalsContact O-N 3.14Å
89I96.6Very high97.6Very high22 Ų2288.7 Ų88.711%0.11347%0.466CS..Hα-helixtrans-79.1-39.3173.8-69.2-177.9000111.1A58 N62 K85 C86 T87 E91 R92 Q93A58-I89 HydrophobicContact CB-CD1 3.81Å; A58-I89 HydrophobicContact CB-CG2 4.43Å; N62-I89 WeakPolarHBondContact ND2-CD1 3.46Å; K85-I89 WeakPolarHBondContact O-CG1 3.49Å; C86-I89 PolarHBondContact O-N 2.84Å; C86-I89 VanDerWaalsContact O-N 3.14Å; T87-I89 PolarHBondContact O-N 2.99Å; I89-E91 VanDerWaalsContact C-N 3.32Å; I89-E91 PolarHBondContact O-N 3.41Å; I89-R92 PolarHBondContact O-N 2.82Å; I89-Q93 HydrophobicContact CG2-CG 4.43Å; I89-Q93 WeakPolarHBondContact O-CB 3.23Å; I89-Q93 VanDerWaalsContact O-CG 3.27Å; I89-Q93 WeakPolarHBondContact O-CG 3.26Å; I89-Q93 PolarHBondContact O-N 2.97Å
90A96.9Very high97.7Very high35 Ų3587.3 Ų87.329%0.28947%0.466SS..Hα-helixtrans-61-42.9174.500000111.1C86 T87 Q93 R94C86-A90 PolarHBondContact O-N 3.28Å; T87-A90 WeakPolarHBondContact O-CB 3.3Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 VanDerWaalsContact O-N 3.11Å; A90-Q93 WeakPolarHBondContact O-CB 3.33Å; A90-Q93 PolarHBondContact O-N 3.25Å; A90-R94 PolarHBondContact O-N 3Å
91E97.7Very high97.8Very high83 Ų8384.7 Ų84.739%0.38846%0.46SS..Hα-helixtrans-67.2-44.6177.2-167.850.2-125.400112.3T87 I89 Q93 R94 V95T87-E91 PolarHBondContact O-N 2.89Å; I89-E91 VanDerWaalsContact C-N 3.32Å; I89-E91 PolarHBondContact O-N 3.41Å; E91-Q93 PolarHBondContact O-N 3.08Å; E91-R94 WeakPolarHBondContact O-CB 3.34Å; E91-R94 PolarHBondContact O-N 3.11Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E91-R94 WeakPolarHBondContact OE1-CD 3.45Å; E91-R94 IonicContact OE2-CZ 2.66Å; E91-R94 IonicContact OE2-NH1 2.67Å; E91-R94 PolarHBondContact OE2-NH1 3.14Å; E91-V95 PolarHBondContact O-N 2.97Å
92R97.9Very high97.8Very high172 Ų17287.3 Ų87.365%0.64947%0.471SS*.Hα-helixtrans-55.9-38.3171.6-178179.2-63.1-86.1-3112.2L88 I89 M96L88-R92 WeakPolarHBondContact O-CB 3.3Å; L88-R92 PolarHBondContact O-N 2.85Å; L88-R92 VanDerWaalsContact O-N 3.14Å; I89-R92 PolarHBondContact O-N 2.82Å; R92-M96 HydrophobicContact CG-CG 4.39Å; R92-M96 HydrophobicContact CG-SD 3.98Å; R92-M96 WeakPolarHBondContact O-CB 3.22Å; R92-M96 VanDerWaalsContact O-CG 3.24Å; R92-M96 WeakPolarHBondContact O-CG 3.41Å; R92-M96 PolarHBondContact O-N 2.83Å
93Q96.9Very high97.9Very high113 Ų11387.6 Ų87.653%0.52846%0.463SS..Hα-helixtrans-69.6-37177.4-76.1175.1-20.200112.4I89 A90 E91 A97I89-Q93 HydrophobicContact CG2-CG 4.43Å; I89-Q93 WeakPolarHBondContact O-CB 3.23Å; I89-Q93 VanDerWaalsContact O-CG 3.27Å; I89-Q93 WeakPolarHBondContact O-CG 3.26Å; I89-Q93 PolarHBondContact O-N 2.97Å; A90-Q93 WeakPolarHBondContact O-CB 3.33Å; A90-Q93 PolarHBondContact O-N 3.25Å; E91-Q93 PolarHBondContact O-N 3.08Å; Q93-A97 VanDerWaalsContact O-CB 3.26Å; Q93-A97 WeakPolarHBondContact O-CB 3.42Å; Q93-A97 PolarHBondContact O-N 3.21Å
94R98.1Very high97.9Very high159 Ų15994 Ų9460%0.648%0.481SS*.Hα-helixtrans-60.3-53.2171.4174.6179.5-74.1116.3-3.6111.3A90 E91 M96 A97 A98A90-R94 PolarHBondContact O-N 3Å; E91-R94 WeakPolarHBondContact O-CB 3.34Å; E91-R94 PolarHBondContact O-N 3.11Å; E91-R94 VanDerWaalsContact O-N 3.08Å; E91-R94 WeakPolarHBondContact OE1-CD 3.45Å; E91-R94 IonicContact OE2-CZ 2.66Å; E91-R94 IonicContact OE2-NH1 2.67Å; E91-R94 PolarHBondContact OE2-NH1 3.14Å; R94-M96 PolarHBondContact O-N 2.89Å; R94-A97 PolarHBondContact O-N 2.93Å; R94-A98 PolarHBondContact O-N 3.37Å
95V98.1Very high97.9Very high84 Ų8495.4 Ų95.451%0.50947%0.474SS..Hα-helixtrans-61-44.3179.1176.30000111.7E91 A97 A98 Q99E91-V95 PolarHBondContact O-N 2.97Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 3.49Å; V95-A98 PolarHBondContact O-N 3.48Å; V95-Q99 WeakPolarHBondContact O-CB 3.43Å; V95-Q99 PolarHBondContact O-N 2.95Å
96M98.3Very high97.9Very high106 Ų10694.6 Ų94.652%0.52247%0.472SS..Hα-helixtrans-66-34.7176.5-73.3-178.471.400112.8R92 R94 Q99 V100R92-M96 HydrophobicContact CG-CG 4.39Å; R92-M96 HydrophobicContact CG-SD 3.98Å; R92-M96 WeakPolarHBondContact O-CB 3.22Å; R92-M96 VanDerWaalsContact O-CG 3.24Å; R92-M96 WeakPolarHBondContact O-CG 3.41Å; R92-M96 PolarHBondContact O-N 2.83Å; R94-M96 PolarHBondContact O-N 2.89Å; M96-Q99 PolarHBondContact O-N 3.48Å; M96-V100 WeakPolarHBondContact O-CB 3.18Å; M96-V100 VanDerWaalsContact O-CG2 3.27Å; M96-V100 WeakPolarHBondContact O-CG2 3.35Å; M96-V100 PolarHBondContact O-N 2.89Å
97A98.3Very high97.9Very high61 Ų6197.3 Ų97.350%0.50450%0.495SS..Hα-helixtrans-65.6-45.1175.200000111.3Q93 R94 V95 Q99 V100 A101Q93-A97 VanDerWaalsContact O-CB 3.26Å; Q93-A97 WeakPolarHBondContact O-CB 3.42Å; Q93-A97 PolarHBondContact O-N 3.21Å; R94-A97 PolarHBondContact O-N 2.93Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 3.49Å; A97-Q99 PolarHBondContact O-N 3.2Å; A97-V100 PolarHBondContact O-N 3.14Å; A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.31Å
98A98.2Very high97.8Very high63 Ų6399.2 Ų99.252%0.52150%0.499SS..Hα-helixtrans-60.7-43.8174.500000112.1R94 V95 V100 A101 L102R94-A98 PolarHBondContact O-N 3.37Å; V95-A98 PolarHBondContact O-N 3.48Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.3Å; A98-A101 PolarHBondContact O-N 3.43Å; A98-L102 WeakPolarHBondContact O-CB 3.3Å; A98-L102 PolarHBondContact O-N 3.23Å
99Q98.6Very high97.7Very high116 Ų11698 Ų9854%0.54249%0.489SS..Hα-helixtrans-65-35.6177.3-167.8-178.625.700113V95 M96 A97 R103V95-Q99 WeakPolarHBondContact O-CB 3.43Å; V95-Q99 PolarHBondContact O-N 2.95Å; M96-Q99 PolarHBondContact O-N 3.48Å; A97-Q99 PolarHBondContact O-N 3.2Å; Q99-R103 PolarHBondContact O-N 3.16Å
100V98.5Very high97.6Very high71 Ų71103.8 Ų103.843%0.4352%0.516SS..Hα-helixtrans-73.5-35.7175.2168.70000111.6M96 A97 A98 R104M96-V100 WeakPolarHBondContact O-CB 3.18Å; M96-V100 VanDerWaalsContact O-CG2 3.27Å; M96-V100 WeakPolarHBondContact O-CG2 3.35Å; M96-V100 PolarHBondContact O-N 2.89Å; A97-V100 PolarHBondContact O-N 3.14Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.3Å; V100-R104 WeakPolarHBondContact O-CD 3.48Å; V100-R104 VanDerWaalsContact O-CG 3.25Å; V100-R104 WeakPolarHBondContact O-CG 3.47Å; V100-R104 PolarHBondContact O-N 2.87Å; V100-R104 VanDerWaalsContact O-N 3.15Å
101A98.3Very high97.6Very high56 Ų56105.1 Ų105.146%0.46352%0.519SS..Hα-helixtrans-63.6-52.117300000111A97 A98 R103 R104 Q105A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.31Å; A98-A101 PolarHBondContact O-N 3.43Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.15Å; A101-R104 WeakPolarHBondContact O-CB 3.49Å; A101-R104 PolarHBondContact O-N 3.46Å; A101-Q105 PolarHBondContact O-N 3.49Å
102L98.4Very high97.4Very high90 Ų90105.3 Ų105.347%0.47152%0.519SS..Hα-helixtrans-56.1-44.1178.3179.162.3000112.5A98 R104 Q105 Q106A98-L102 WeakPolarHBondContact O-CB 3.3Å; A98-L102 PolarHBondContact O-N 3.23Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.46Å; L102-Q105 PolarHBondContact O-N 3.39Å; L102-Q106 HydrophobicContact CD1-CG 4.4Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 3.01Å
103R98.3Very high97.1Very high171 Ų17199.8 Ų99.865%0.64551%0.511SS*.Hα-helixtrans-66.1-33.7177-171.6-177.9-61.9175.80.6112.8Q99 A101 A107Q99-R103 PolarHBondContact O-N 3.16Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.15Å; R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 3.48Å
104R98.3Very high96.8Very high182 Ų182101 Ų10169%0.68751%0.51SS*.Hα-helixtrans-70.6-41.7176-75.4170.1175.8-163.3-4111.3V100 A101 L102 A107 Q108V100-R104 WeakPolarHBondContact O-CD 3.48Å; V100-R104 VanDerWaalsContact O-CG 3.25Å; V100-R104 WeakPolarHBondContact O-CG 3.47Å; V100-R104 PolarHBondContact O-N 2.87Å; V100-R104 VanDerWaalsContact O-N 3.15Å; A101-R104 WeakPolarHBondContact O-CB 3.49Å; A101-R104 PolarHBondContact O-N 3.46Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.46Å; R104-A107 PolarHBondContact O-N 3.44Å; R104-Q108 VanDerWaalsContact O-CB 3.32Å; R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 2.99Å
105Q98.1Very high96.5Very high103 Ų10398.8 Ų98.848%0.48151%0.507SS..Hα-helixtrans-57.5-52.5171.9174.9177.5-4.700110.4A101 L102 A107 Q108 E109A101-Q105 PolarHBondContact O-N 3.49Å; L102-Q105 PolarHBondContact O-N 3.39Å; Q105-A107 VanDerWaalsContact C-N 3.31Å; Q105-A107 PolarHBondContact O-N 3Å; Q105-Q108 CarbonylContact O-C 3.58Å; Q105-Q108 WeakPolarHBondContact O-CA 3.39Å; Q105-Q108 WeakPolarHBondContact O-CB 3.2Å; Q105-Q108 PolarHBondContact O-N 3.43Å; Q105-E109 HydrophobicContact CG-CG 4.23Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.49Å; Q105-E109 PolarHBondContact NE2-OE1 3.32Å; Q105-E109 WeakPolarHBondContact O-CB 3.44Å; Q105-E109 WeakPolarHBondContact O-CG 3.36Å; Q105-E109 PolarHBondContact O-N 2.94Å
106Q98.1Very high95.8Very high104 Ų10499.2 Ų99.249%0.48651%0.506SS..Hα-helixtrans-57.8-40.5177.7-72.3174.3-34.900113.2L102 Q108 E110L102-Q106 HydrophobicContact CD1-CG 4.4Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 3.01Å; Q106-Q108 VanDerWaalsContact C-N 3.34Å; Q106-E110 VanDerWaalsContact O-CB 3.26Å; Q106-E110 WeakPolarHBondContact O-CB 3.47Å; Q106-E110 PolarHBondContact O-N 3.24Å
107A96.8Very high95Very high57 Ų57100.7 Ų100.747%0.47151%0.512SS..Hα-helixtrans-73.5-23.9176.700000113.5R103 R104 Q105 N111R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 3.48Å; R104-A107 PolarHBondContact O-N 3.44Å; Q105-A107 VanDerWaalsContact C-N 3.31Å; Q105-A107 PolarHBondContact O-N 3Å; A107-N111 PolarHBondContact O-N 3.36Å
108Q96.8Very high94Very high115 Ų115103.1 Ų103.154%0.53752%0.515SS..Hα-helixtrans-76.5-50.2172.2175.1176.2-16.600110.1R104 Q105 Q106 E110 N111 E112R104-Q108 VanDerWaalsContact O-CB 3.32Å; R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 2.99Å; Q105-Q108 CarbonylContact O-C 3.58Å; Q105-Q108 WeakPolarHBondContact O-CA 3.39Å; Q105-Q108 WeakPolarHBondContact O-CB 3.2Å; Q105-Q108 PolarHBondContact O-N 3.43Å; Q106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.29Å; Q108-N111 CarbonylContact O-C 3.58Å; Q108-N111 WeakPolarHBondContact O-CA 3.17Å; Q108-N111 PolarHBondContact O-N 2.77Å; Q108-E112 HydrophobicContact CG-CG 4.39Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.28Å; Q108-E112 PolarHBondContact NE2-OE1 3.44Å; Q108-E112 WeakPolarHBondContact O-CB 3.45Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 2.88Å
109E95.2Very high92.9Very high94 Ų94105.4 Ų105.444%0.43952%0.518SS..Hα-helixtrans-55.8-40.9173.6-69.6166.6171.300111.4Q105 A113Q105-E109 HydrophobicContact CG-CG 4.23Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.49Å; Q105-E109 PolarHBondContact NE2-OE1 3.32Å; Q105-E109 WeakPolarHBondContact O-CB 3.44Å; Q105-E109 WeakPolarHBondContact O-CG 3.36Å; Q105-E109 PolarHBondContact O-N 2.94Å; E109-A113 WeakPolarHBondContact O-CB 3.47Å; E109-A113 PolarHBondContact O-N 3.45Å
110E94.8Very high91.4Very high145 Ų145105.5 Ų105.568%0.67852%0.515SS*.Hα-helixtrans-64.3-41.6173.2-174.4-176.7169.300112.1Q106 Q108 R114Q106-E110 VanDerWaalsContact O-CB 3.26Å; Q106-E110 WeakPolarHBondContact O-CB 3.47Å; Q106-E110 PolarHBondContact O-N 3.24Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.29Å; E110-R114 VanDerWaalsContact O-CB 3.24Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 PolarHBondContact O-N 3.25Å
111N95.2Very high89.8Confident63 Ų63104 Ų10434%0.33751%0.513SS..Hα-helixtrans-68.3-43.7176.6-178.379.2000112.1A107 Q108 R114 E115A107-N111 PolarHBondContact O-N 3.36Å; Q108-N111 CarbonylContact O-C 3.58Å; Q108-N111 WeakPolarHBondContact O-CA 3.17Å; Q108-N111 PolarHBondContact O-N 2.77Å; N111-R114 CarbonylContact O-C 3.37Å; N111-R114 WeakPolarHBondContact O-CB 3.48Å; N111-R114 PolarHBondContact O-N 3.42Å; N111-R114 PolarHBondContact OD1-NH2 3.38Å; N111-E115 PolarHBondContact ND2-OE2 2.9Å; N111-E115 VanDerWaalsContact O-CB 3.31Å; N111-E115 WeakPolarHBondContact O-CB 3.36Å; N111-E115 PolarHBondContact O-N 3.2Å
112E94.2Very high88.4Confident86 Ų86104.2 Ų104.240%0.40251%0.508SS..Hα-helixtrans-62.3-45.1176.8-72.4169.1-172.400110.4Q108 R114 E115 L116Q108-E112 HydrophobicContact CG-CG 4.39Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.28Å; Q108-E112 PolarHBondContact NE2-OE1 3.44Å; Q108-E112 WeakPolarHBondContact O-CB 3.45Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 2.88Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 2.88Å; E112-E115 PolarHBondContact O-N 3.39Å; E112-L116 WeakPolarHBondContact O-CB 3.33Å; E112-L116 VanDerWaalsContact O-CG 3.24Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.43Å
113A92.7Very high86.8Confident57 Ų57104 Ų10447%0.47152%0.519SS..Hα-helixtrans-61-39.5173.200000112.5E109 Q117E109-A113 WeakPolarHBondContact O-CB 3.47Å; E109-A113 PolarHBondContact O-N 3.45Å; A113-Q117 VanDerWaalsContact O-CB 3.23Å; A113-Q117 WeakPolarHBondContact O-CB 3.47Å; A113-Q117 PolarHBondContact O-N 2.89Å
114R90.4Very high85.1Confident137 Ų137103.8 Ų103.852%0.51753%0.526SS..Hα-helixtrans-68.9-33.5175.5-172.6-164.362.767.27112.5E110 N111 E112 L118E110-R114 VanDerWaalsContact O-CB 3.24Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 PolarHBondContact O-N 3.25Å; N111-R114 CarbonylContact O-C 3.37Å; N111-R114 WeakPolarHBondContact O-CB 3.48Å; N111-R114 PolarHBondContact O-N 3.42Å; N111-R114 PolarHBondContact OD1-NH2 3.38Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 2.88Å; R114-L118 PolarHBondContact O-N 3.28Å; R114-L118 VanDerWaalsContact O-N 3.11Å
115E90.4Very high83.5Confident113 Ų11395.6 Ų95.653%0.52850%0.498SS..Hα-helixtrans-73.8-45.1177.3-172.2165.716300111.2N111 E112 Q117 L118 L119N111-E115 PolarHBondContact ND2-OE2 2.9Å; N111-E115 VanDerWaalsContact O-CB 3.31Å; N111-E115 WeakPolarHBondContact O-CB 3.36Å; N111-E115 PolarHBondContact O-N 3.2Å; E112-E115 PolarHBondContact O-N 3.39Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.43Å; E115-L118 WeakPolarHBondContact O-CB 3.26Å; E115-L118 PolarHBondContact O-N 2.9Å; E115-L119 WeakPolarHBondContact O-CB 3.33Å; E115-L119 PolarHBondContact O-N 2.91Å
116L84.8Confident81.9Confident94 Ų9494.9 Ų94.949%0.49250%0.497SS..Hα-helixtrans-57.7-43.1168.8-68.5166.9000111.2E112 L118 L119 Y120E112-L116 WeakPolarHBondContact O-CB 3.33Å; E112-L116 VanDerWaalsContact O-CG 3.24Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.43Å; L116-L118 PolarHBondContact O-N 2.66Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-Y120 HydrophobicContact CB-CD2 4.43Å; L116-Y120 HydrophobicContact CD2-CD2 4.25Å; L116-Y120 HydrophobicContact CD2-CE2 3.82Å; L116-Y120 WeakPolarHBondContact O-CB 3.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3.34Å; L116-Y120 PolarHBondContact O-N 3.43Å
117Q81.1Confident80.3Confident137 Ų13792.8 Ų92.864%0.6450%0.498SS*.Hα-helixtrans-64.1-26.9175.5-176.358.546.600112.9A113 E115 G121A113-Q117 VanDerWaalsContact O-CB 3.23Å; A113-Q117 WeakPolarHBondContact O-CB 3.47Å; A113-Q117 PolarHBondContact O-N 2.89Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 3.43Å; Q117-G121 WeakPolarHBondContact O-CA 3.32Å; Q117-G121 PolarHBondContact O-N 3.28Å
118L77.8Confident79Confident111 Ų11195.5 Ų95.558%0.58150%0.504SS*.Hα-helixtrans-78-41.9173.5-16173.1000111.3R114 E115 L116 T122R114-L118 PolarHBondContact O-N 3.28Å; R114-L118 VanDerWaalsContact O-N 3.11Å; E115-L118 WeakPolarHBondContact O-CB 3.26Å; E115-L118 PolarHBondContact O-N 2.9Å; L116-L118 PolarHBondContact O-N 2.66Å; L118-T122 WeakPolarHBondContact O-CG2 3.34Å; L118-T122 PolarHBondContact O-OG1 3.35Å; L118-T122 VanDerWaalsContact O-OG1 3.05Å
119L74.9Confident77.5Confident111 Ų11190.4 Ų90.458%0.58148%0.481SS*.Hα-helixtrans-70.5-35.3-178.9-173.663.9000113.3E115 L116 G125E115-L119 WeakPolarHBondContact O-CB 3.33Å; E115-L119 PolarHBondContact O-N 2.91Å; L116-L119 PolarHBondContact O-N 3.37Å; L119-G125 WeakPolarHBondContact O-CA 3.42Å
120Y65.9Low76.1Confident119 Ų11988.5 Ų88.547%0.46748%0.481SS..Hα-helixtrans-105.7-17.4-179.1-68.8-76.2000114.2L116 L126 A129L116-Y120 HydrophobicContact CB-CD2 4.43Å; L116-Y120 HydrophobicContact CD2-CD2 4.25Å; L116-Y120 HydrophobicContact CD2-CE2 3.82Å; L116-Y120 WeakPolarHBondContact O-CB 3.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3.34Å; L116-Y120 PolarHBondContact O-N 3.43Å; Y120-L126 VanDerWaalsContact O-CD1 3.28Å; Y120-L126 WeakPolarHBondContact O-CD1 3.49Å; Y120-L126 WeakPolarHBondContact O-CG 3.47Å; Y120-A129 HydrophobicContact CD1-CB 4.35Å; Y120-A129 HydrophobicContact CE1-CB 4.5Å
121G66.5Low74.7Confident38 Ų3885.5 Ų85.539%0.39248%0.482SS..Hα-helixtrans-94.7-6.9-177.100000115.4Q117Q117-G121 WeakPolarHBondContact O-CA 3.32Å; Q117-G121 PolarHBondContact O-N 3.28Å
122T68.4Low73.8Confident61 Ų6187.4 Ų87.437%0.37449%0.492SS..SBendtrans-81.2149.6169.747.70000110.5L118 E124 G125 L126L118-T122 WeakPolarHBondContact O-CG2 3.34Å; L118-T122 PolarHBondContact O-OG1 3.35Å; L118-T122 VanDerWaalsContact O-OG1 3.05Å; T122-E124 PolarHBondContact O-N 2.87Å; T122-G125 WeakPolarHBondContact O-CA 3.23Å; T122-G125 PolarHBondContact O-N 2.91Å; T122-G125 PolarHBondContact OG1-N 2.8Å; T122-L126 WeakPolarHBondContact O-CD1 3.24Å; T122-L126 PolarHBondContact O-N 3.23Å
123A64.3Low72.2Confident85 Ų8585.7 Ų85.770%0.70250%0.497SS*.Hα-helixtrans-59.3-33.4179.400000112.6A127A123-A127 WeakPolarHBondContact O-CB 3.47Å; A123-A127 PolarHBondContact O-N 3Å
124E63.5Low70.9Confident168 Ų16888.1 Ų88.179%0.78550%0.501SS*.Hα-helixtrans-68.1-41.7173.2-61.4179.3165.300111.6T122 A127 L128T122-E124 PolarHBondContact O-N 2.87Å; E124-A127 PolarHBondContact O-N 2.89Å; E124-L128 WeakPolarHBondContact O-CB 3.18Å; E124-L128 PolarHBondContact O-N 3.2Å
125G63.4Low69.3Low10 Ų1085.1 Ų85.110%0.10349%0.494CS..Hα-helixtrans-60.8-44.9172.900000113.7L119 T122 L128 A129L119-G125 WeakPolarHBondContact O-CA 3.42Å; T122-G125 WeakPolarHBondContact O-CA 3.23Å; T122-G125 PolarHBondContact O-N 2.91Å; T122-G125 PolarHBondContact OG1-N 2.8Å; G125-L128 PolarHBondContact O-N 2.84Å; G125-A129 WeakPolarHBondContact O-CB 3.36Å; G125-A129 PolarHBondContact O-N 3.41Å
126L65.2Low67.5Low87 Ų8784.3 Ų84.346%0.45550%0.499SS..Hα-helixtrans-63.2-41.7172.4-87.7119.9000112.2Y120 T122 L128 A129 A130 I135Y120-L126 VanDerWaalsContact O-CD1 3.28Å; Y120-L126 WeakPolarHBondContact O-CD1 3.49Å; Y120-L126 WeakPolarHBondContact O-CG 3.47Å; T122-L126 WeakPolarHBondContact O-CD1 3.24Å; T122-L126 PolarHBondContact O-N 3.23Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-A129 PolarHBondContact O-N 2.85Å; L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 2.9Å; L126-I135 HydrophobicContact CD2-CD1 4.31Å
127A64.4Low65.8Low60 Ų6085.9 Ų85.950%0.49652%0.515SS..Hα-helixtrans-63.6-39.8176.400000111.9A123 E124 A130 A131A123-A127 WeakPolarHBondContact O-CB 3.47Å; A123-A127 PolarHBondContact O-N 3Å; E124-A127 PolarHBondContact O-N 2.89Å; A127-A130 PolarHBondContact O-N 2.99Å; A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 2.9Å
128L68.6Low64.2Low115 Ų11590.3 Ų90.360%0.60253%0.525SS*.Hα-helixtrans-71.3-38.8177.4-149.772.3000111.9E124 G125 L126 A130 A131 N132E124-L128 WeakPolarHBondContact O-CB 3.18Å; E124-L128 PolarHBondContact O-N 3.2Å; G125-L128 PolarHBondContact O-N 2.84Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A131 PolarHBondContact O-N 3.23Å; L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 VanDerWaalsContact O-CG 3.23Å; L128-N132 PolarHBondContact O-N 2.93Å; L128-N132 PolarHBondContact O-ND2 3.01Å
129A65.9Low62.7Low8 Ų890.6 Ų90.67%0.06653%0.534CS..Hα-helixtrans-66.5-33.9173.500000112.8Y120 G125 L126 G133 I134 I135Y120-A129 HydrophobicContact CD1-CB 4.35Å; Y120-A129 HydrophobicContact CE1-CB 4.5Å; G125-A129 WeakPolarHBondContact O-CB 3.36Å; G125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 2.85Å; A129-G133 PolarHBondContact O-N 3.23Å; A129-I134 WeakPolarHBondContact O-CB 3.13Å; A129-I134 PolarHBondContact O-N 3.05Å; A129-I135 HydrophobicContact CB-CD1 4.02Å; A129-I135 HydrophobicContact CB-CG1 4.19Å
130A66.4Low61.2Low53 Ų5392.3 Ų92.344%0.43854%0.544SS..Hα-helixtrans-69.7-45.5171.400000112L126 A127 L128 N132 G133 I135L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.99Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-N132 VanDerWaalsContact C-N 3.27Å; A130-N132 PolarHBondContact O-N 3.43Å; A130-G133 PolarHBondContact O-N 3.31Å; A130-I135 HydrophobicContact CB-CD1 4.29Å
131A65.4Low59.9Low83 Ų8396 Ų9669%0.68656%0.558SS**Hα-helixtrans-62.2-33.6177.300000112.7A127 L128 G133A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 2.9Å; L128-A131 PolarHBondContact O-N 3.23Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 2.76Å
132N75Confident58.9Low103 Ų103101.9 Ų101.955%0.55158%0.575SS**THydrogen-bonded Turntrans-82.25.5174.3-67.2-25.9000113.7L128 A130 I134L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 VanDerWaalsContact O-CG 3.23Å; L128-N132 PolarHBondContact O-N 2.93Å; L128-N132 PolarHBondContact O-ND2 3.01Å; A130-N132 VanDerWaalsContact C-N 3.27Å; A130-N132 PolarHBondContact O-N 3.43Å; N132-I134 VanDerWaalsContact C-N 3.25Å; N132-I134 HydrophobicContact CB-CD1 4.11Å; N132-I134 HydrophobicContact CB-CG1 4.17Å; N132-I134 PolarHBondContact O-N 2.79Å
133G62.2Low57.5Low49 Ų49104.2 Ų104.251%0.50559%0.59SS.*THydrogen-bonded Turntrans7111175.400000115.8A129 A130 A131 I135A129-G133 PolarHBondContact O-N 3.23Å; A130-G133 PolarHBondContact O-N 3.31Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 2.76Å; G133-I135 VanDerWaalsContact C-N 3.31Å
134I65.3Low56.2Low109 Ų109109.5 Ų109.556%0.55960%0.597SS**  trans-75.3-24.8-177.5-56.1173.1000111A129 N132 P136A129-I134 WeakPolarHBondContact O-CB 3.13Å; A129-I134 PolarHBondContact O-N 3.05Å; N132-I134 VanDerWaalsContact C-N 3.25Å; N132-I134 HydrophobicContact CB-CD1 4.11Å; N132-I134 HydrophobicContact CB-CG1 4.17Å; N132-I134 PolarHBondContact O-N 2.79Å; I134-P136 WeakPolarHBondContact O-CD 3.16Å
135I55.9Low54.7Low73 Ų73104.7 Ų104.737%0.37459%0.593SS.*SBendtrans-95.7115.2175.1-57.3178.7000108.5L126 A129 A130 G133L126-I135 HydrophobicContact CD2-CD1 4.31Å; A129-I135 HydrophobicContact CB-CD1 4.02Å; A129-I135 HydrophobicContact CB-CG1 4.19Å; A130-I135 HydrophobicContact CB-CD1 4.29Å; G133-I135 VanDerWaalsContact C-N 3.31Å
136P52.7Low53.5Low97 Ų97110.3 Ų110.363%0.6363%0.63SS**  trans-59.6136.3173.8-23.133.6000110.7I134 R138I134-P136 WeakPolarHBondContact O-CD 3.16Å; P136-R138 PolarHBondContact O-N 3.31Å
137P48.8Very low52Low126 Ų126112.9 Ų112.982%0.81865%0.65SS**  trans-61.1112.1179.225-33.5000109.4P139P137-P139 WeakPolarHBondContact O-CD 3.43Å
138R47.4Very low50.7Low230 Ų230116 Ų11687%0.86866%0.658SS**  trans-65.2120.2176-83.2-74.3-179.7124.5-2.2108.7P136 N140P136-R138 PolarHBondContact O-N 3.31Å; R138-N140 PolarHBondContact O-N 3Å
139P46.6Very low49Very low117 Ų117116 Ų11676%0.7667%0.667SS**  trans-62.4137.5168.927.4-33.2000108.9P137 Y141P137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-Y141 PolarHBondContact O-N 3.23Å
140N43.3Very low47.6Very low147 Ų147123.3 Ų123.379%0.78670%0.7SS**  trans-30.9124.5-167.8-63.5-8.4000116.2R138R138-N140 PolarHBondContact O-N 3Å
141Y38.8Very low46.1Very low198 Ų198126.9 Ų126.978%0.77672%0.722SS**  trans-124.5104.1146.4179.4-122.2000108.5P139 V143P139-Y141 PolarHBondContact O-N 3.23Å; Y141-V143 HydrophobicContact CD1-CG2 3.67Å; Y141-V143 HydrophobicContact CE1-CG2 3.4Å; Y141-V143 PolarHBondContact O-N 3.14Å
142E45.7Very low44.6Very low160 Ų160130.3 Ų130.375%0.74873%0.729SS**  trans-75110.6179.2-65.3-177.5156.200110.3F144E142-F144 PolarHBondContact O-N 2.98Å
143V39.4Very low42.6Very low111 Ų111130.8 Ų130.867%0.67374%0.74SS**  trans-95.185.7167.8-176.70000109Y141Y141-V143 HydrophobicContact CD1-CG2 3.67Å; Y141-V143 HydrophobicContact CE1-CG2 3.4Å; Y141-V143 PolarHBondContact O-N 3.14Å
144F36.2Very low41.3Very low195 Ų195137.4 Ų137.486%0.85576%0.758SS**  trans32.699155.1-81.4-95.8000118.8E142E142-F144 PolarHBondContact O-N 2.98Å
145G32Very low39.8Very low68 Ų68137.9 Ų137.970%0.70177%0.771SS**  84.471.111700000118.7V147G145-V147 PolarHBondContact O-N 3.11Å
146S38.6Very low38.8Very low127 Ų127139.6 Ų139.689%0.88879%0.789SS**  trans-68.9110.5150.7-66.40000109.8N148S146-N148 PolarHBondContact O-N 2.97Å
147V33.7Very low38Very low142 Ų142142.7 Ų142.786%0.86180%0.799SS**  trans-77.8100.7169.3-77.40000110.2G145G145-V147 PolarHBondContact O-N 3.11Å
148N37Very low37.3Very low124 Ų124143.6 Ų143.666%0.66379%0.792SS**  trans-98135.8161.1-170.729.6000109.1S146S146-N148 PolarHBondContact O-N 2.97Å
149S32.2Very low36.5Very low115 Ų115140.1 Ų140.180%0.80478%0.784SS**  trans-142.299.7-179.2-70.70000109.8
150E37.5Very low35.9Very low163 Ų163143.4 Ų143.476%0.76278%0.782SS**  trans-98.1124177.9-61.3175.4100.200110.2
151S34.8Very low35.2Very low127 Ų127143.5 Ų143.589%0.88878%0.778SS**  trans-164.4113.8157.4-85.80000112.8
152N33.7Very low34.9Very low155 Ų155141.1 Ų141.183%0.82978%0.778SS**  trans-58.1140175.8170.621.8000115.3
153S32.6Very low34.7Very low114 Ų114143 Ų14380%0.79778%0.783SS**  trans-157.9126.714165.60000112.3
154E35.3Very low35.1Very low187 Ų187143.6 Ų143.687%0.87479%0.79SS**  trans-93.3142.2177.9178.7177.27300112.5
155S33.5Very low35.4Very low120 Ų120141.8 Ų141.884%0.83978%0.782SS**  trans-164154.115738.80000112.2
156S34.9Very low35.4Very low108 Ų108144.5 Ų144.576%0.75579%0.785SS**  trans-108.4147.2-172.5177.70000112
157I37.1Very low35.4Very low162 Ų162144.9 Ų144.983%0.83177%0.773SS**  trans171.6150.1130.7-88.1155.6000111.1
158Q33.4Very low35.6Very low146 Ų146144.8 Ų144.868%0.68277%0.767SS**  trans-91.1160.8-178.6-51.4152.1-15.800111.9
159K31.1Very low35.2Very low157 Ų157144.2 Ų144.268%0.68377%0.772SS**  142.9110.8127.7-81.4148.9-171.7167.60120.3
160Y32.3Very low35.2Very low186 Ų186142 Ų14273%0.72977%0.768SS**  trans59178.7138.479.1-110.5000124.5
161E29.8Very low34.7Very low149 Ų149140 Ų14070%0.69677%0.772SS**  trans72.399.8-162.5-60.7-47.6135.500114.9
162L32.1Very low34.5Very low147 Ų147139.6 Ų139.677%0.7776%0.764SS**  cis88.2143.135.8-74.6106.6000117.4
163F41.2Very low34.5Very low199 Ų199138.3 Ų138.387%0.87376%0.762SS**  trans-97.5167.3-163.2-61.8-99.3000113.7
164P48Very low34.9Very low124 Ų124138.2 Ų138.281%0.80576%0.759SS**  -140.5165.4100.333.9-20000113.9
165K42.8Very low34.6Very low158 Ų158137.7 Ų137.769%0.68776%0.756SS**  cis150.1149.1-18.1170.7167.4176.8174.40108.2
166T32.4Very low34.3Very low125 Ų125140.2 Ų140.277%0.76775%0.752SS**  trans-145.6-137.8146.612.90000112.3
167Q37.1Very low33.9Very low135 Ų135139.7 Ų139.763%0.63175%0.748SS**  trans-154.2166.1-153.7-58.5-73.9101.800107.7
168L37.9Very low33.5Very low140 Ų140139.1 Ų139.173%0.73375%0.752SS**  cis-170170.9-13.7-103.4176.7000105.6
169S30.3Very low33.2Very low112 Ų112135.7 Ų135.778%0.78376%0.756SS**  cis-131.8-131.9-1.5-156.50000108.1
170G30.7Very low33.2Very low69 Ų69137.4 Ų137.471%0.71176%0.763SS**  cis131124.7-6.200000111.8
171S27.6Very low33.5Very low120 Ų120134.2 Ų134.284%0.83977%0.765SS**  cis-151.3177.79.7-162.50000113.4
172T31.1Very low33.4Very low118 Ų118130.9 Ų130.972%0.72476%0.763SS**  trans-85.1-172.8-179.856.90000112.7
173T32.7Very low33.2Very low129 Ų129128.6 Ų128.679%0.79176%0.76SS**  cis-165178.527.8-8.80000110.2
174P41Very low32.8Very low112 Ų112125.3 Ų125.373%0.72776%0.756SS**  trans-114.3171.7-160.743.6-39.4000119.5
175Q29.3Very low31.8Very low176 Ų176127.2 Ų127.282%0.82275%0.754SS**  trans66125.4148.2-99.9-156.11.300124.8
176K27.3Very low31.6Very low173 Ų173124.5 Ų124.575%0.75276%0.755SS**  91.7102.4125.3-162.6177.4178.8-173.50122.2
177S27.6Very low31.5Very low97 Ų97125.1 Ų125.168%0.67875%0.753SS**  trans88.8153.4133.276.60000123.6
178V28.1Very low31.4Very low149 Ų149124 Ų12490%0.90376%0.76SS**  trans74.1136.4164.9-1710000118.4
179G27.8Very low31.4Very low74 Ų74121.7 Ų121.776%0.76376%0.762SS**  trans123123.1154.400000117.1
180K30.5Very low32.4Very low194 Ų194121.9 Ų121.984%0.84376%0.761SS**  trans-154.3125.4164-173.7167.4-177.1173.30109.6
181P37.8Very low32.4Very low118 Ų118122.4 Ų122.477%0.76677%0.766SS**  -119.1159.7110.1-1.823.5000110.4
182A27.3Very low32.6Very low79 Ų79125 Ų12565%0.65377%0.767SS**  63.9131.760.500000112.3
183S29.8Very low33.3Very low100 Ų100125 Ų12570%0.69977%0.772SS**  cis-153.3172.627.8-60.80000113.9
184T31.4Very low33.5Very low130 Ų130124.4 Ų124.480%0.79877%0.773SS**  trans64.6142.1152.635.70000119.2
185E28.3Very low34.3Very low164 Ų164125 Ų12577%0.76678%0.777SS**  cis-157.6161.20.258.1-169.485.900112.4
186S36.9Very low34.9Very low100 Ų100124.8 Ų124.870%0.69978%0.781SS**  trans57.9138.2154.4-48.80000119.9
187D31.4Very low35.3Very low138 Ų138120.2 Ų120.274%0.73878%0.783SS**  cis-155.7170.11.9-158.3-87.3000111.9
188S34.2Very low36.1Very low111 Ų111126.1 Ų126.178%0.77679%0.79SS**  trans73.7136.5158.1-75.90000121.6
189A38.4Very low36.7Very low93 Ų93127.5 Ų127.577%0.76979%0.787SS**  trans-154.8-173.6-17900000107.7
190P51.8Low36.8Very low116 Ų116127.8 Ų127.875%0.75379%0.79SS**  cis-130.8178.7-3.541.8-25.1000114.8M192P190-M192 HydrophobicContact CB-CG 4.36Å
191G30.5Very low36.9Very low80 Ų80122.8 Ų122.883%0.82579%0.793SS**  trans-168.270.2175.200000111.9
192M32Very low36.5Very low175 Ų175120.9 Ų120.986%0.86280%0.795SS**  trans-78.4143.1-155.7-53.4168.879.500114.7P190P190-M192 HydrophobicContact CB-CG 4.36Å
193S44.8Very low37Very low117 Ų117123.3 Ų123.382%0.81881%0.807SS**  trans-109.4161.2165.555.50000110.8
194S37.5Very low37.1Very low117 Ų117121.3 Ų121.382%0.81880%0.802SS**  trans-152.3158.5176.5-91.20000113.4
195P58.2Low37.7Very low124 Ų124120 Ų12081%0.80580%0.798SS**  trans-137.3-169.4-144.842.5-23.5000116.1
196D42.3Very low38.3Very low171 Ų171119 Ų11991%0.91479%0.794SS**  trans-66.1151.1165.8-87.3-80.1000114.2
197G35.4Very low38.3Very low77 Ų77121 Ų12179%0.79480%0.796SS**  trans-170.8140.2170.800000112.7
198R44.8Very low38.6Very low221 Ų221117.8 Ų117.883%0.83480%0.797SS**  trans-108.5149.2-176.8-67.2175.7170.7-170.5-3.3112.1
199H39.1Very low39.1Very low179 Ų179119.4 Ų119.483%0.82980%0.796SS**  153.1134.4115.6-89.1-79.9000114.8
200G30.9Very low39.1Very low80 Ų80120.5 Ų120.583%0.82580%0.798SS**  trans92.3152.3138.800000119.2
201G31.3Very low38.5Very low88 Ų88122.7 Ų122.791%0.90780%0.798SS**  trans97.8136.9168.500000115.7
202G31.1Very low38.9Very low79 Ų79122.9 Ų122.981%0.81479%0.787SS**  trans-165.1160.8169.200000110.2
203S37Very low38.8Very low129 Ų129123.1 Ų123.190%0.90278%0.784SS**  trans-174.9150.2166.4-166.90000112
204G32.3Very low38.5Very low58 Ų58124.2 Ų124.260%0.59878%0.779SS**  trans92.9114.3131.500000120.7
205S44.4Very low38.1Very low103 Ų103126.2 Ų126.272%0.7278%0.78SS**  68.3158.1129.6-68.60000122.5
206E40Very low37.3Very low144 Ų144125.1 Ų125.167%0.67378%0.776SS**  cis-168.5156.7-33.562.6-167.272.800111.5
207N37.8Very low37.6Very low140 Ų140122.6 Ų122.675%0.74977%0.769SS**  trans60.4162158.3-50.5-26.6000119.2
208G37.1Very low37.4Very low72 Ų72124.6 Ų124.674%0.74277%0.765SS**  trans151.33517700000118.3
209D44.5Very low36.9Very low144 Ų144119.6 Ų119.677%0.7776%0.764SS**  trans-73148.8171.647.9-60.9000113.3
210S39.3Very low36.8Very low116 Ų116120.4 Ų120.481%0.81177%0.766SS**  trans-167.1156.6166.548.10000111.4
211E38Very low37Very low162 Ų162122.6 Ų122.676%0.75777%0.765SS**  trans-138.1151.5-153.565.6-150.970.200115.6
212S38.5Very low37.3Very low84 Ų84126.9 Ų126.959%0.58777%0.766SS**  trans62.614716465.50000117.2
213F30.1Very low37.6Very low181 Ų181131.2 Ų131.279%0.79476%0.763SS**  -163.4145.857.1-87.7-76.2000113.5
214I39.1Very low37.5Very low140 Ų140131.7 Ų131.772%0.71876%0.755SS**  trans-8.8132.8159.817.2173.2000120.3
215N29.8Very low37.5Very low158 Ų158132.1 Ų132.185%0.84576%0.759SS**  -165.9151.7107.6-105.4-69.1000113.4
216S40.3Very low36.9Very low102 Ų102136 Ų13671%0.71377%0.766SS**  trans-108.4177.5178.8-56.60000111.1
217P49.7Very low36.6Very low118 Ų118138.4 Ų138.477%0.76678%0.778SS**  -152.6134.588.437.9-18.2000118.2
218V30.2Very low36.8Very low118 Ų118137.9 Ų137.972%0.71578%0.78SS**  trans57.3127.4132.989.10000123
219S35.1Very low37.6Very low117 Ų117140.3 Ų140.382%0.81878%0.782SS**  -154.5157.7128.5-840000109.9
220K36Very low36.9Very low196 Ų196137.2 Ų137.285%0.85278%0.784SS**  trans-100.3144.2-159.2-54168.9-176.9174.40113.6
221P35.4Very low36.6Very low125 Ų125137.1 Ų137.181%0.81278%0.783SS**  trans-93.3159.1152.335.6-30.2000112.1
222L37.5Very low36.6Very low179 Ų179136 Ų13694%0.93779%0.787SS**  trans-107164.4165.4-17062.2000109
223K38.4Very low36.4Very low170 Ų170137.3 Ų137.374%0.73980%0.796SS**  trans-134.1133.3-154.3-177.8178.8173-178.50115
224D33.2Very low36.6Very low138 Ų138134.6 Ų134.674%0.73880%0.8SS**  trans61.2162.4154.2-58.2-0.3000123
225G32.6Very low36.5Very low67 Ų67136.5 Ų136.569%0.69181%0.811SS**  trans122.958-176.200000112.9
226E32.7Very low36.6Very low184 Ų184132.2 Ų132.286%0.8680%0.804SS**  58.8103.595.6-71.3-16891.800116
227E33.3Very low36.4Very low196 Ų196132.6 Ų132.692%0.91681%0.807SS**  -172.7178.6108.857.3-169.3120.200112.6
228T42.8Very low36.2Very low129 Ų129134.1 Ų134.179%0.79181%0.808SS**  trans-149.9158.3-157.5-80.50000108.3
229P52.7Low36.9Very low123 Ų123133.8 Ų133.880%0.79981%0.811SS**  cis-131.2-17916.724.50.8000116.7
230G29.9Very low37.3Very low78 Ų78131.5 Ų131.580%0.80481%0.807SS**  trans-176.684.7166.100000115
231S32.7Very low37.5Very low114 Ų114126.6 Ų126.680%0.79780%0.797SS**  trans-64.5157.7172.8-42.90000111.4
232V37.8Very low37.9Very low139 Ų139129.1 Ų129.184%0.84280%0.798SS**  cis-149174.733.5-72.80000112.8
233S34.3Very low38.2Very low111 Ų111126.7 Ų126.778%0.77679%0.791SS**  trans-58.1157.8176.4-43.20000116
234S34.3Very low38.5Very low125 Ų125126.3 Ų126.387%0.87480%0.797SS**  -155.2119.3129.9-104.30000112.3
235L37.7Very low39.2Very low179 Ų179127.9 Ų127.994%0.93780%0.797SS**  trans-82154.1153.7-75.2148.1000107.7
236G33Very low39.5Very low69 Ų69130.9 Ų130.971%0.71180%0.797SS**  trans160.597.7167.400000115.7
237S36.1Very low39.8Very low110 Ų110130.3 Ų130.377%0.76980%0.8SS**  trans46.9131.9140.6-59.40000122.1
238D44.5Very low39.9Very low149 Ų149129.5 Ų129.580%0.79780%0.796SS**  trans-39.5142.8138.854.7-61.5000114.1
239S44.3Very low39.5Very low111 Ų111130.5 Ų130.578%0.77679%0.792SS**  trans-153.6112.1151.5-164.10000109
240G44.3Very low39.1Very low70 Ų70128.8 Ų128.872%0.72278%0.781SS**  trans-79.7133.6168.100000109.4
241S40.7Very low39.1Very low93 Ų93128.5 Ų128.565%0.6577%0.766SS**  trans-154.490.6170.9-67.50000109.2T243S241-T243 PolarHBondContact O-N 3.34Å
242E43Very low39.7Very low178 Ų178128.5 Ų128.583%0.83276%0.764SS**  trans-54.6129.7153.648.6-96.264.900110.1
243T43.2Very low40Very low127 Ų127125.7 Ų125.778%0.77975%0.751SS**  trans-131.577.7166.639.90000108.7S241S241-T243 PolarHBondContact O-N 3.34Å
244D44.4Very low40.7Very low162 Ų162122.7 Ų122.787%0.86673%0.729SS**  trans-58.4136.3155-157.8-64.9000108.4
245K49.3Very low41.6Very low171 Ų171118.6 Ų118.674%0.74370%0.703SS**  trans-156.794.5-177.7-161.7179.8177.5176.30114.4
246D37.4Very low42.5Very low130 Ų130112.5 Ų112.570%0.69568%0.679SS**  trans54.8108.2143.5-54.8-55.8000118.7
247D41Very low43.9Very low173 Ų173112 Ų11293%0.92566%0.664SS**  trans-58.9134.1152.8-79.9-78000111.2
248Q34.4Very low45.4Very low178 Ų178114.9 Ų114.983%0.83266%0.658SS**  trans-114.6129.6173-172.787.998.300109.9
249E35Very low46.5Very low150 Ų150109.6 Ų109.670%0.70163%0.629SS**  trans-48.1148.5175.2-117.3-98.912000112.8S251E249-S251 PolarHBondContact O-N 3.32Å
250P43.3Very low47.6Very low88 Ų88108.9 Ų108.957%0.57161%0.614SS**  trans-82.178.7-153.934.9-32.9000112.7
251S30.6Very low49.6Very low71 Ų71110.2 Ų110.250%0.49761%0.605SS.*  trans-48.2148.3157.9-720000111.1E249 S253 S254E249-S251 PolarHBondContact O-N 3.32Å; S251-S253 PolarHBondContact O-N 3.14Å; S251-S254 PolarHBondContact O-N 3.5Å; S251-S254 VanDerWaalsContact O-N 3.14Å
252P45.1Very low51.9Low115 Ų115106 Ų10675%0.74758%0.575SS**THydrogen-bonded Turntrans-59.5-13.9-170.321.4-33.5000115S254 A255P252-S254 PolarHBondContact O-N 2.96Å; P252-S254 VanDerWaalsContact O-N 3.11Å; P252-A255 PolarHBondContact O-N 2.92Å
253S43.9Very low54Low80 Ų8097.5 Ų97.556%0.55954%0.536SS*.Hα-helixtrans-42.6-36.4166.4-47.20000114.2S251 A255 A256 S257S251-S253 PolarHBondContact O-N 3.14Å; S253-A255 PolarHBondContact O-N 3.23Å; S253-A256 CarbonylContact O-C 3.59Å; S253-A256 WeakPolarHBondContact O-CA 3.31Å; S253-A256 WeakPolarHBondContact O-CB 3.43Å; S253-A256 PolarHBondContact O-N 2.95Å; S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 PolarHBondContact O-OG 3.43Å
254S50Low56.2Low47 Ų4794.6 Ų94.633%0.32952%0.515SS..Hα-helixtrans-68-19.8-179.8-66.30000114.3S251 P252 S257 R258S251-S254 PolarHBondContact O-N 3.5Å; S251-S254 VanDerWaalsContact O-N 3.14Å; P252-S254 PolarHBondContact O-N 2.96Å; P252-S254 VanDerWaalsContact O-N 3.11Å; S254-S257 PolarHBondContact O-OG 3.22Å; S254-R258 WeakPolarHBondContact O-CG 3.49Å; S254-R258 VanDerWaalsContact O-CZ 3.23Å; S254-R258 PolarHBondContact O-NE 3.49Å
255A52.1Low58.4Low40 Ų4090.4 Ų90.433%0.33149%0.492SS..Hα-helixtrans-81.7-34.3167.600000111.6P252 S253 H259P252-A255 PolarHBondContact O-N 2.92Å; S253-A255 PolarHBondContact O-N 3.23Å; A255-H259 VanDerWaalsContact O-CB 3.25Å; A255-H259 WeakPolarHBondContact O-CB 3.49Å; A255-H259 PolarHBondContact O-N 2.96Å
256A57.7Low60.2Low51 Ų5182.2 Ų82.242%0.42146%0.457SS..Hα-helixtrans-72.2-39.2178.500000112.7S253 H259 M260S253-A256 CarbonylContact O-C 3.59Å; S253-A256 WeakPolarHBondContact O-CA 3.31Å; S253-A256 WeakPolarHBondContact O-CB 3.43Å; S253-A256 PolarHBondContact O-N 2.95Å; A256-H259 WeakPolarHBondContact O-CB 3.35Å; A256-H259 PolarHBondContact O-N 3.5Å; A256-M260 WeakPolarHBondContact O-CG 3.32Å; A256-M260 PolarHBondContact O-N 3.39Å
257S62.5Low62.7Low58 Ų5878.3 Ų78.341%0.40644%0.438SS..Hα-helixtrans-65-45.4175.4620000111.6S253 S254 H259 M260 N261S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 PolarHBondContact O-OG 3.43Å; S254-S257 PolarHBondContact O-OG 3.22Å; S257-H259 VanDerWaalsContact C-N 3.3Å; S257-H259 PolarHBondContact O-N 2.97Å; S257-M260 PolarHBondContact O-N 3.47Å; S257-N261 WeakPolarHBondContact O-CB 3.41Å; S257-N261 VanDerWaalsContact O-CG 3.22Å; S257-N261 PolarHBondContact O-N 3.3Å; S257-N261 PolarHBondContact O-ND2 3.18Å
258R66Low65Low170 Ų17079.4 Ų79.464%0.64243%0.429SS*.Hα-helixtrans-60.5-37.7171.6-71.3-168.3-64.2-105.84.6112.3S254 A262S254-R258 WeakPolarHBondContact O-CG 3.49Å; S254-R258 VanDerWaalsContact O-CZ 3.23Å; S254-R258 PolarHBondContact O-NE 3.49Å; R258-A262 WeakPolarHBondContact O-CB 3.48Å; R258-A262 PolarHBondContact O-N 3.05Å
259H67.7Low67.6Low38 Ų3874.6 Ų74.618%0.17641%0.411CS..Hα-helixtrans-64.7-47.2175.4-172.6-117.2000112.3A255 A256 S257 A262 I263A255-H259 VanDerWaalsContact O-CB 3.25Å; A255-H259 WeakPolarHBondContact O-CB 3.49Å; A255-H259 PolarHBondContact O-N 2.96Å; A256-H259 WeakPolarHBondContact O-CB 3.35Å; A256-H259 PolarHBondContact O-N 3.5Å; S257-H259 VanDerWaalsContact C-N 3.3Å; S257-H259 PolarHBondContact O-N 2.97Å; H259-A262 WeakPolarHBondContact O-CB 3.27Å; H259-A262 PolarHBondContact O-N 3.45Å; H259-I263 WeakPolarHBondContact O-CD1 3.24Å; H259-I263 VanDerWaalsContact O-CG1 3.22Å; H259-I263 WeakPolarHBondContact O-CG1 3.42Å; H259-I263 PolarHBondContact O-N 3.29Å
260M68.6Low70.1Confident96 Ų9668.5 Ų68.547%0.47338%0.383SS..Hα-helixtrans-62.9-46.5176.1-66.2-57.7176.200111.6A256 S257 A262 I263 D264A256-M260 WeakPolarHBondContact O-CG 3.32Å; A256-M260 PolarHBondContact O-N 3.39Å; S257-M260 PolarHBondContact O-N 3.47Å; M260-A262 VanDerWaalsContact C-N 3.28Å; M260-A262 PolarHBondContact O-N 3.32Å; M260-I263 PolarHBondContact O-N 3.36Å; M260-I263 HydrophobicContact SD-CD1 4.1Å; M260-D264 WeakPolarHBondContact O-CB 3.38Å; M260-D264 VanDerWaalsContact O-CG 3.22Å; M260-D264 PolarHBondContact O-N 3.07Å
261N85.6Confident72.2Confident98 Ų9869.6 Ų69.652%0.52439%0.39SS..Hα-helixtrans-56.6-41.5174.1-70.7-26.1000112.1S257 D264 I265S257-N261 WeakPolarHBondContact O-CB 3.41Å; S257-N261 VanDerWaalsContact O-CG 3.22Å; S257-N261 PolarHBondContact O-N 3.3Å; S257-N261 PolarHBondContact O-ND2 3.18Å; N261-D264 PolarHBondContact O-N 3.42Å; N261-I265 WeakPolarHBondContact O-CB 3.24Å; N261-I265 WeakPolarHBondContact O-CD1 3.5Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 3.04Å
262A88.3Confident74.6Confident4 Ų471.1 Ų71.13%0.03340%0.4CS..Hα-helixtrans-63.8-46.2176.300000112.6R258 H259 M260 D264 I265 L266 L282 V289R258-A262 WeakPolarHBondContact O-CB 3.48Å; R258-A262 PolarHBondContact O-N 3.05Å; H259-A262 WeakPolarHBondContact O-CB 3.27Å; H259-A262 PolarHBondContact O-N 3.45Å; M260-A262 VanDerWaalsContact C-N 3.28Å; M260-A262 PolarHBondContact O-N 3.32Å; A262-D264 VanDerWaalsContact C-N 3.34Å; A262-D264 PolarHBondContact O-N 2.96Å; A262-I265 PolarHBondContact O-N 3.01Å; A262-L266 WeakPolarHBondContact O-CG 3.26Å; A262-L266 PolarHBondContact O-N 3.19Å; A262-L282 HydrophobicContact CB-CD1 4.1Å; A262-L282 HydrophobicContact CB-CD2 3.6Å; A262-V289 HydrophobicContact CB-CG2 3.35Å
263I88.2Confident76.6Confident0 Ų068.7 Ų68.70%038%0.379CS..Hα-helixtrans-64.3-40.4177-59.5153.5000110.9H259 M260 I265 L266 T267 R275 E279 L282H259-I263 WeakPolarHBondContact O-CD1 3.24Å; H259-I263 VanDerWaalsContact O-CG1 3.22Å; H259-I263 WeakPolarHBondContact O-CG1 3.42Å; H259-I263 PolarHBondContact O-N 3.29Å; M260-I263 PolarHBondContact O-N 3.36Å; M260-I263 HydrophobicContact SD-CD1 4.1Å; I263-I265 VanDerWaalsContact C-N 3.34Å; I263-L266 PolarHBondContact O-N 2.96Å; I263-T267 VanDerWaalsContact O-CB 3.3Å; I263-T267 WeakPolarHBondContact O-CB 3.43Å; I263-T267 PolarHBondContact O-N 2.87Å; I263-T267 PolarHBondContact O-OG1 2.88Å; I263-R275 HydrophobicContact CG2-CG 3.57Å; I263-E279 HydrophobicContact CD1-CG 3.56Å; I263-E279 HydrophobicContact CG1-CG 3.73Å; I263-E279 HydrophobicContact CG2-CG 3.96Å; I263-L282 HydrophobicContact CG1-CD2 3.68Å
264D89.2Confident78.8Confident66 Ų6670.7 Ų70.735%0.35338%0.378SS..Hα-helixtrans-72-29.1-179.2-65-17.1000112M260 N261 A262 R268 R275M260-D264 WeakPolarHBondContact O-CB 3.38Å; M260-D264 VanDerWaalsContact O-CG 3.22Å; M260-D264 PolarHBondContact O-N 3.07Å; N261-D264 PolarHBondContact O-N 3.42Å; A262-D264 VanDerWaalsContact C-N 3.34Å; A262-D264 PolarHBondContact O-N 2.96Å; D264-R268 WeakPolarHBondContact O-CB 3.5Å; D264-R268 PolarHBondContact O-N 2.88Å; D264-R275 IonicContact OD1-CZ 3.86Å; D264-R275 IonicContact OD1-NH1 3.72Å; D264-R275 PolarHBondContact OD1-NH1 3.05Å; D264-R275 IonicContact OD1-NH2 2.79Å; D264-R275 PolarHBondContact OD1-NH2 3.34Å
265I90.1Very high80.7Confident74 Ų7472.9 Ų72.938%0.37938%0.379SS..Hα-helixtrans-66.2-52.2166.4-71.3162.8000110.3N261 A262 I263 T267 R268 V269 V289N261-I265 WeakPolarHBondContact O-CB 3.24Å; N261-I265 WeakPolarHBondContact O-CD1 3.5Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 3.04Å; A262-I265 PolarHBondContact O-N 3.01Å; I263-I265 VanDerWaalsContact C-N 3.34Å; I265-T267 VanDerWaalsContact C-N 3.31Å; I265-T267 PolarHBondContact O-N 3.15Å; I265-R268 WeakPolarHBondContact O-CB 3.25Å; I265-R268 PolarHBondContact O-N 3.02Å; I265-R268 VanDerWaalsContact O-N 3.08Å; I265-V269 HydrophobicContact CG2-CG2 4.44Å; I265-V269 WeakPolarHBondContact O-CG2 3.45Å; I265-V269 PolarHBondContact O-N 3.21Å; I265-V289 HydrophobicContact CG2-CG1 4.11Å
266L87.4Confident82.4Confident0 Ų074.5 Ų74.50%039%0.388CS..Hα-helixtrans-59.1-41.3179.6-72.4171.3000112A262 I263 R268 V269 F270 L278 L282 A292 I293 I296A262-L266 WeakPolarHBondContact O-CG 3.26Å; A262-L266 PolarHBondContact O-N 3.19Å; I263-L266 PolarHBondContact O-N 2.96Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 2.91Å; L266-V269 PolarHBondContact O-N 2.8Å; L266-F270 HydrophobicContact CD2-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CE2 4.32Å; L266-F270 PolarHBondContact O-N 2.78Å; L266-L278 HydrophobicContact CB-CB 4.3Å; L266-L278 HydrophobicContact CB-CD1 4.12Å; L266-L278 HydrophobicContact CB-CD2 4.39Å; L266-L278 HydrophobicContact CD1-CB 4.46Å; L266-L282 HydrophobicContact CD1-CB 4.13Å; L266-L282 HydrophobicContact CD1-CD1 4.25Å; L266-L282 HydrophobicContact CD1-CD2 4.37Å; L266-L282 HydrophobicContact CD1-CG 4.49Å; L266-A292 HydrophobicContact CD1-CB 4.04Å; L266-A292 HydrophobicContact CD2-CB 4.29Å; L266-I293 HydrophobicContact CD2-CD1 4.49Å; L266-I293 HydrophobicContact CD2-CG1 3.63Å; L266-I296 HydrophobicContact CD2-CD1 4.05Å
267T90.4Very high84Confident48 Ų4874.1 Ų74.129%0.29438%0.38SS..Hα-helixtrans-65.1-32.1177.4-55.40000111.7I263 I265 P271I263-T267 VanDerWaalsContact O-CB 3.3Å; I263-T267 WeakPolarHBondContact O-CB 3.43Å; I263-T267 PolarHBondContact O-N 2.87Å; I263-T267 PolarHBondContact O-OG1 2.88Å; I265-T267 VanDerWaalsContact C-N 3.31Å; I265-T267 PolarHBondContact O-N 3.15Å; T267-P271 WeakPolarHBondContact O-CA 3.49Å
268R88.7Confident85.2Confident195 Ų19571.3 Ų71.374%0.73636%0.36SS*.Hα-helixtrans-77.7-31.1175.6-170178.8-61.4133.87.4113D264 I265 L266D264-R268 WeakPolarHBondContact O-CB 3.5Å; D264-R268 PolarHBondContact O-N 2.88Å; I265-R268 WeakPolarHBondContact O-CB 3.25Å; I265-R268 PolarHBondContact O-N 3.02Å; I265-R268 VanDerWaalsContact O-N 3.08Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 2.91Å
269V88.9Confident86.4Confident77 Ų7766.1 Ų66.147%0.46734%0.343SS..Hα-helixtrans-79.9-38177175.20000111.5I265 L266 P271I265-V269 HydrophobicContact CG2-CG2 4.44Å; I265-V269 WeakPolarHBondContact O-CG2 3.45Å; I265-V269 PolarHBondContact O-N 3.21Å; L266-V269 PolarHBondContact O-N 2.8Å; V269-P271 VanDerWaalsContact O-CD 3.3Å; V269-P271 WeakPolarHBondContact O-CD 3.32Å
270F88.1Confident87.4Confident22 Ų2269.5 Ų69.510%0.09636%0.362CS..  trans-121.164.4-177.6-57.8-69.5000112.2L266 S272 H273 L278 I293 I296 L297L266-F270 HydrophobicContact CD2-CD2 4.41Å; L266-F270 HydrophobicContact CD2-CE2 4.32Å; L266-F270 PolarHBondContact O-N 2.78Å; F270-S272 PolarHBondContact O-N 3.48Å; F270-H273 HydrophobicContact CB-CB 4.18Å; F270-H273 PolarHBondContact O-N 3.02Å; F270-L278 HydrophobicContact CB-CD2 4.41Å; F270-L278 HydrophobicContact CD2-CD2 4.45Å; F270-I293 HydrophobicContact CE2-CG1 4.13Å; F270-I293 HydrophobicContact CE2-CG2 4.47Å; F270-I293 HydrophobicContact CZ-CG2 4.27Å; F270-I296 HydrophobicContact CD1-CG2 3.93Å; F270-I296 HydrophobicContact CD2-CD1 3.86Å; F270-I296 HydrophobicContact CD2-CG2 3.97Å; F270-I296 HydrophobicContact CE1-CG2 3.72Å; F270-I296 HydrophobicContact CE2-CB 4.03Å; F270-I296 HydrophobicContact CE2-CD1 3.8Å; F270-I296 HydrophobicContact CE2-CG2 3.75Å; F270-I296 HydrophobicContact CG-CG2 4.05Å; F270-I296 HydrophobicContact CZ-CB 4.08Å; F270-I296 HydrophobicContact CZ-CG2 3.63Å; F270-L297 HydrophobicContact CE1-CD2 3.92Å; F270-L297 HydrophobicContact CE1-CG 4.47Å; F270-L297 HydrophobicContact CZ-CD2 4.03Å; F270-L297 HydrophobicContact CZ-CG 4.1Å
271P86.2Confident88.5Confident111 Ų11165.9 Ų65.972%0.72135%0.346SS*.THydrogen-bonded Turntrans-65.3-7.9-176.428.4-37000114.6T267 V269T267-P271 WeakPolarHBondContact O-CA 3.49Å; V269-P271 VanDerWaalsContact O-CD 3.3Å; V269-P271 WeakPolarHBondContact O-CD 3.32Å
272S82Confident88.7Confident103 Ų10361.2 Ų61.272%0.7232%0.321SS*.THydrogen-bonded Turntrans-84.7-13.5172.154.90000114.2F270F270-S272 PolarHBondContact O-N 3.48Å
273H87.3Confident88.8Confident65 Ų6567.8 Ų67.830%0.30135%0.35SS..SBendtrans-99.6137.6-174.4-71.957.2000111.3F270 L278F270-H273 HydrophobicContact CB-CB 4.18Å; F270-H273 PolarHBondContact O-N 3.02Å; H273-L278 HydrophobicContact CB-CD1 4.36Å; H273-L278 HydrophobicContact CB-CD2 3.87Å; H273-L278 HydrophobicContact CB-CG 4.15Å
274K89.7Confident88.7Confident122 Ų12270.8 Ų70.853%0.5338%0.381SS..  trans-66.1135.6177.4-64.1-172.2-179.3-171.80110.4S276 V277 L278 E312K274-S276 PolarHBondContact O-N 2.81Å; K274-S276 VanDerWaalsContact O-N 3.14Å; K274-V277 HydrophobicContact CB-CG2 4.29Å; K274-V277 WeakPolarHBondContact O-CB 3.34Å; K274-V277 PolarHBondContact O-N 2.88Å; K274-L278 PolarHBondContact O-N 3.44Å; K274-E312 IonicContact NZ-OE1 2.6Å; K274-E312 PolarHBondContact NZ-OE1 3.11Å
275R90.7Very high88.6Confident93 Ų9368 Ų6835%0.35137%0.367SS..Hα-helixtrans-50.3-41.2-178.5-169.1-173.7174.1101.51.1113I263 D264 V277 L278 E279I263-R275 HydrophobicContact CG2-CG 3.57Å; D264-R275 IonicContact OD1-CZ 3.86Å; D264-R275 IonicContact OD1-NH1 3.72Å; D264-R275 PolarHBondContact OD1-NH1 3.05Å; D264-R275 IonicContact OD1-NH2 2.79Å; D264-R275 PolarHBondContact OD1-NH2 3.34Å; R275-V277 VanDerWaalsContact C-N 3.3Å; R275-V277 PolarHBondContact O-N 3.35Å; R275-L278 WeakPolarHBondContact O-CB 3.21Å; R275-L278 PolarHBondContact O-N 3.5Å; R275-L278 VanDerWaalsContact O-N 3.14Å; R275-E279 WeakPolarHBondContact CD-OE1 3.46Å; R275-E279 HydrophobicContact CG-CG 4.4Å; R275-E279 WeakPolarHBondContact CG-OE1 3.39Å; R275-E279 IonicContact CZ-OE1 3.48Å; R275-E279 IonicContact NE-OE1 3.75Å; R275-E279 PolarHBondContact NE-OE1 3.05Å; R275-E279 IonicContact NH2-OE1 3.34Å; R275-E279 WeakPolarHBondContact O-CB 3.39Å; R275-E279 WeakPolarHBondContact O-CG 3.31Å; R275-E279 PolarHBondContact O-N 3.05Å
276S88Confident88.3Confident74 Ų7467.6 Ų67.652%0.51738%0.381SS..Hα-helixtrans-61.1-31.7177.649.90000114.4K274 L280K274-S276 PolarHBondContact O-N 2.81Å; K274-S276 VanDerWaalsContact O-N 3.14Å; S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 PolarHBondContact O-N 3.48Å
277V89.5Confident88Confident42 Ų4273.2 Ų73.226%0.25541%0.406SS..Hα-helixtrans-74.6-39.5175.3-177.80000110.2K274 R275 L280 V281K274-V277 HydrophobicContact CB-CG2 4.29Å; K274-V277 WeakPolarHBondContact O-CB 3.34Å; K274-V277 PolarHBondContact O-N 2.88Å; R275-V277 VanDerWaalsContact C-N 3.3Å; R275-V277 PolarHBondContact O-N 3.35Å; V277-L280 PolarHBondContact O-N 3.41Å; V277-V281 WeakPolarHBondContact O-CG2 3.27Å; V277-V281 PolarHBondContact O-N 2.9Å
278L89.2Confident88Confident0 Ų073.8 Ų73.80%041%0.407CS..Hα-helixtrans-65.1-40.2175.4-57.4175.6000111.3L266 F270 H273 K274 R275 L282 I296L266-L278 HydrophobicContact CB-CB 4.3Å; L266-L278 HydrophobicContact CB-CD1 4.12Å; L266-L278 HydrophobicContact CB-CD2 4.39Å; L266-L278 HydrophobicContact CD1-CB 4.46Å; F270-L278 HydrophobicContact CB-CD2 4.41Å; F270-L278 HydrophobicContact CD2-CD2 4.45Å; H273-L278 HydrophobicContact CB-CD1 4.36Å; H273-L278 HydrophobicContact CB-CD2 3.87Å; H273-L278 HydrophobicContact CB-CG 4.15Å; K274-L278 PolarHBondContact O-N 3.44Å; R275-L278 WeakPolarHBondContact O-CB 3.21Å; R275-L278 PolarHBondContact O-N 3.5Å; R275-L278 VanDerWaalsContact O-N 3.14Å; L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 PolarHBondContact O-N 2.81Å; L278-I296 HydrophobicContact CD2-CD1 3.49Å; L278-I296 VanDerWaalsContact CD2-CD1 3.49Å; L278-I296 HydrophobicContact CD2-CG1 4.44Å
279E89.8Confident88Confident60 Ų6066.1 Ų66.128%0.2838%0.382SS..Hα-helixtrans-62-44.6173-76.5167.3174.600111.8I263 R275 L282 Q283I263-E279 HydrophobicContact CD1-CG 3.56Å; I263-E279 HydrophobicContact CG1-CG 3.73Å; I263-E279 HydrophobicContact CG2-CG 3.96Å; R275-E279 WeakPolarHBondContact CD-OE1 3.46Å; R275-E279 HydrophobicContact CG-CG 4.4Å; R275-E279 WeakPolarHBondContact CG-OE1 3.39Å; R275-E279 IonicContact CZ-OE1 3.48Å; R275-E279 IonicContact NE-OE1 3.75Å; R275-E279 PolarHBondContact NE-OE1 3.05Å; R275-E279 IonicContact NH2-OE1 3.34Å; R275-E279 WeakPolarHBondContact O-CB 3.39Å; R275-E279 WeakPolarHBondContact O-CG 3.31Å; R275-E279 PolarHBondContact O-N 3.05Å; E279-L282 PolarHBondContact O-N 3.29Å; E279-Q283 VanDerWaalsContact O-CB 3.31Å; E279-Q283 WeakPolarHBondContact O-CB 3.46Å; E279-Q283 PolarHBondContact O-N 2.93Å
280L89.8Confident88.2Confident109 Ų10966.6 Ų66.657%0.57138%0.384SS*.Hα-helixtrans-63.1-45.3176.9-17863.4000112.6S276 V277 Q283 G284S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 PolarHBondContact O-N 3.48Å; V277-L280 PolarHBondContact O-N 3.41Å; L280-Q283 PolarHBondContact O-N 2.97Å; L280-G284 PolarHBondContact O-N 3.18Å
281V90.5Very high88.1Confident21 Ų2170.2 Ų70.213%0.12740%0.402CS..Hα-helixtrans-65.4-43.81771750000110.8V277 Q283 G284 C285 A292 Q295 I296V277-V281 WeakPolarHBondContact O-CG2 3.27Å; V277-V281 PolarHBondContact O-N 2.9Å; V281-Q283 VanDerWaalsContact C-N 3.33Å; V281-Q283 PolarHBondContact O-N 3.15Å; V281-G284 PolarHBondContact O-N 3.43Å; V281-C285 WeakPolarHBondContact O-CB 3.44Å; V281-C285 PolarHBondContact O-N 3.18Å; V281-C285 PolarHBondContact O-SG 3.32Å; V281-A292 HydrophobicContact CG1-CB 4.08Å; V281-Q295 HydrophobicContact CG1-CB 3.96Å; V281-I296 HydrophobicContact CG1-CG1 4.21Å
282L91.3Very high88.3Confident0 Ų065 Ų650%037%0.368CS..Hα-helixtrans-63-38.5177.7-177.166.5000112A262 I263 L266 L278 E279 C285 K287 A292A262-L282 HydrophobicContact CB-CD1 4.1Å; A262-L282 HydrophobicContact CB-CD2 3.6Å; I263-L282 HydrophobicContact CG1-CD2 3.68Å; L266-L282 HydrophobicContact CD1-CB 4.13Å; L266-L282 HydrophobicContact CD1-CD1 4.25Å; L266-L282 HydrophobicContact CD1-CD2 4.37Å; L266-L282 HydrophobicContact CD1-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 PolarHBondContact O-N 2.81Å; E279-L282 PolarHBondContact O-N 3.29Å; L282-C285 PolarHBondContact O-N 3.27Å; L282-K287 WeakPolarHBondContact O-CA 3.37Å; L282-K287 PolarHBondContact O-N 3.5Å; L282-A292 HydrophobicContact CD1-CB 4.15Å
283Q89.4Confident88.6Confident141 Ų14162.1 Ų62.166%0.65934%0.344SS*.Hα-helixtrans-64.7-41.2173.3-178.6171.6-16.200111.8E279 L280 V281 G286E279-Q283 VanDerWaalsContact O-CB 3.31Å; E279-Q283 WeakPolarHBondContact O-CB 3.46Å; E279-Q283 PolarHBondContact O-N 2.93Å; L280-Q283 PolarHBondContact O-N 2.97Å; V281-Q283 VanDerWaalsContact C-N 3.33Å; V281-Q283 PolarHBondContact O-N 3.15Å; Q283-G286 PolarHBondContact O-N 3.23Å
284G86.3Confident88.7Confident63 Ų6364.3 Ų64.365%0.64935%0.354SS*.Hα-helixtrans-65.4-34.5173.500000113.7L280 V281 G286L280-G284 PolarHBondContact O-N 3.18Å; V281-G284 PolarHBondContact O-N 3.43Å; G284-G286 PolarHBondContact O-N 3.16Å
285C86.7Confident88.5Confident8 Ų863.5 Ų63.55%0.05435%0.353CS..THydrogen-bonded Turntrans-84.621.6178.4-60.90000113.7V281 L282 K287 D288 Q291 A292 Q295V281-C285 WeakPolarHBondContact O-CB 3.44Å; V281-C285 PolarHBondContact O-N 3.18Å; V281-C285 PolarHBondContact O-SG 3.32Å; L282-C285 PolarHBondContact O-N 3.27Å; C285-K287 PolarHBondContact O-N 3.24Å; C285-D288 WeakPolarHBondContact O-CB 3.43Å; C285-D288 PolarHBondContact O-N 3.37Å; C285-Q291 HydrophobicContact CB-CB 3.94Å; C285-A292 HydrophobicContact CB-CB 4.26Å; C285-Q295 VanDerWaalsContact SG-CD 3.56Å; C285-Q295 PolarHBondContact SG-NE2 2.8Å
286G83.7Confident88.3Confident66 Ų6659.6 Ų59.668%0.6834%0.338SS*.THydrogen-bonded Turntrans62.818.1177.800000114.9Q283 G284Q283-G286 PolarHBondContact O-N 3.23Å; G284-G286 PolarHBondContact O-N 3.16Å
287K82.1Confident88.2Confident118 Ų11860.3 Ų60.351%0.51334%0.336SS..THydrogen-bonded Turntrans72.718.1-173.2-49166.8-174.4167.70115L282 C285L282-K287 WeakPolarHBondContact O-CA 3.37Å; L282-K287 PolarHBondContact O-N 3.5Å; C285-K287 PolarHBondContact O-N 3.24Å
288D90.3Very high87.9Confident60 Ų6064.8 Ų64.832%0.32136%0.358SS..  trans-81.4123.7167.3-174.8-4.4000111.1C285 V290 Q291 A292C285-D288 WeakPolarHBondContact O-CB 3.43Å; C285-D288 PolarHBondContact O-N 3.37Å; D288-V290 PolarHBondContact OD1-N 3.17Å; D288-Q291 HydrophobicContact CB-CB 4.24Å; D288-Q291 HydrophobicContact CB-CG 4.41Å; D288-Q291 WeakPolarHBondContact OD2-CG 3.25Å; D288-Q291 PolarHBondContact OD2-NE2 2.93Å; D288-A292 WeakPolarHBondContact O-CB 3.49Å; D288-A292 PolarHBondContact O-N 2.89Å
289V89.3Confident86.9Confident34 Ų3469.2 Ų69.221%0.20638%0.382CS..Hα-helixtrans-66.8-36.6177.3177.60000111.8A262 I265 A292 I293A262-V289 HydrophobicContact CB-CG2 3.35Å; I265-V289 HydrophobicContact CG2-CG1 4.11Å; V289-A292 PolarHBondContact O-N 3.45Å; V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.4Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.39Å; V289-I293 PolarHBondContact O-N 3.15Å
290V91.6Very high85.6Confident86 Ų8668.3 Ų68.352%0.52138%0.382SS..Hα-helixtrans-70.5-50.2-174.5-175.70000109.8D288 A292 I293 E294D288-V290 PolarHBondContact OD1-N 3.17Å; V290-A292 VanDerWaalsContact C-N 3.28Å; V290-A292 PolarHBondContact O-N 3.29Å; V290-I293 WeakPolarHBondContact O-CB 3.38Å; V290-I293 PolarHBondContact O-N 3.27Å; V290-I293 VanDerWaalsContact O-N 3.17Å; V290-E294 WeakPolarHBondContact O-CG 3.25Å; V290-E294 PolarHBondContact O-N 3.22Å
291Q86.1Confident83.9Confident99 Ų9966.3 Ų66.346%0.46339%0.388SS..Hα-helixtrans-61-36.2174.6-70.2176.169.400112.2C285 D288 E294 Q295C285-Q291 HydrophobicContact CB-CB 3.94Å; D288-Q291 HydrophobicContact CB-CB 4.24Å; D288-Q291 HydrophobicContact CB-CG 4.41Å; D288-Q291 WeakPolarHBondContact OD2-CG 3.25Å; D288-Q291 PolarHBondContact OD2-NE2 2.93Å; Q291-E294 PolarHBondContact O-N 3.15Å; Q291-Q295 PolarHBondContact O-N 3.48Å
292A91.5Very high82Confident0 Ų069.7 Ų69.70%042%0.418CS..Hα-helixtrans-64.8-43.2174.400000112.4L266 V281 L282 C285 D288 V289 V290 Q295 I296L266-A292 HydrophobicContact CD1-CB 4.04Å; L266-A292 HydrophobicContact CD2-CB 4.29Å; V281-A292 HydrophobicContact CG1-CB 4.08Å; L282-A292 HydrophobicContact CD1-CB 4.15Å; C285-A292 HydrophobicContact CB-CB 4.26Å; D288-A292 WeakPolarHBondContact O-CB 3.49Å; D288-A292 PolarHBondContact O-N 2.89Å; V289-A292 PolarHBondContact O-N 3.45Å; V290-A292 VanDerWaalsContact C-N 3.28Å; V290-A292 PolarHBondContact O-N 3.29Å; A292-Q295 PolarHBondContact O-N 3.04Å; A292-I296 WeakPolarHBondContact O-CD1 3.1Å; A292-I296 VanDerWaalsContact O-CG1 3.23Å; A292-I296 WeakPolarHBondContact O-CG1 3.47Å; A292-I296 PolarHBondContact O-N 2.82Å
293I88.9Confident80Confident44 Ų4477.8 Ų77.823%0.22646%0.456CS..Hα-helixtrans-59.9-46.2173-70.6166000110.5L266 F270 V289 V290 Q295 I296 L297L266-I293 HydrophobicContact CD2-CD1 4.49Å; L266-I293 HydrophobicContact CD2-CG1 3.63Å; F270-I293 HydrophobicContact CE2-CG1 4.13Å; F270-I293 HydrophobicContact CE2-CG2 4.47Å; F270-I293 HydrophobicContact CZ-CG2 4.27Å; V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.4Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.39Å; V289-I293 PolarHBondContact O-N 3.15Å; V290-I293 WeakPolarHBondContact O-CB 3.38Å; V290-I293 PolarHBondContact O-N 3.27Å; V290-I293 VanDerWaalsContact O-N 3.17Å; I293-Q295 PolarHBondContact O-N 3.49Å; I293-I296 PolarHBondContact O-N 3.4Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.48Å; I293-L297 VanDerWaalsContact O-CG 3.3Å; I293-L297 WeakPolarHBondContact O-CG 3.06Å; I293-L297 PolarHBondContact O-N 3.15Å
294E88.3Confident77.6Confident111 Ų11175.2 Ų75.252%0.51946%0.459SS..Hα-helixtrans-63.5-40.7179.7-71.9-179.2174.200112.7V290 Q291 L297 N298V290-E294 WeakPolarHBondContact O-CG 3.25Å; V290-E294 PolarHBondContact O-N 3.22Å; Q291-E294 PolarHBondContact O-N 3.15Å; E294-L297 PolarHBondContact O-N 3.44Å; E294-N298 VanDerWaalsContact O-CB 3.31Å; E294-N298 WeakPolarHBondContact O-CB 3.46Å; E294-N298 VanDerWaalsContact O-CG 3.26Å; E294-N298 PolarHBondContact O-N 3.14Å; E294-N298 PolarHBondContact O-ND2 3.12Å
295Q84.8Confident75.8Confident105 Ų10578 Ų7849%0.49147%0.465SS..Hα-helixtrans-65.4-41.3174-73.3-158.627.900112.6V281 C285 Q291 A292 I293 N299V281-Q295 HydrophobicContact CG1-CB 3.96Å; C285-Q295 VanDerWaalsContact SG-CD 3.56Å; C285-Q295 PolarHBondContact SG-NE2 2.8Å; Q291-Q295 PolarHBondContact O-N 3.48Å; A292-Q295 PolarHBondContact O-N 3.04Å; I293-Q295 PolarHBondContact O-N 3.49Å; Q295-N299 WeakPolarHBondContact O-CB 3.37Å; Q295-N299 PolarHBondContact O-N 3.23Å
296I87.2Confident73.7Confident10 Ų1085.1 Ų85.15%0.05150%0.503CS..Hα-helixtrans-62.8-44.6176.1-67.1159.8000110.3L266 F270 L278 V281 A292 I293 N299 S300L266-I296 HydrophobicContact CD2-CD1 4.05Å; F270-I296 HydrophobicContact CD1-CG2 3.93Å; F270-I296 HydrophobicContact CD2-CD1 3.86Å; F270-I296 HydrophobicContact CD2-CG2 3.97Å; F270-I296 HydrophobicContact CE1-CG2 3.72Å; F270-I296 HydrophobicContact CE2-CB 4.03Å; F270-I296 HydrophobicContact CE2-CD1 3.8Å; F270-I296 HydrophobicContact CE2-CG2 3.75Å; F270-I296 HydrophobicContact CG-CG2 4.05Å; F270-I296 HydrophobicContact CZ-CB 4.08Å; F270-I296 HydrophobicContact CZ-CG2 3.63Å; L278-I296 HydrophobicContact CD2-CD1 3.49Å; L278-I296 VanDerWaalsContact CD2-CD1 3.49Å; L278-I296 HydrophobicContact CD2-CG1 4.44Å; V281-I296 HydrophobicContact CG1-CG1 4.21Å; A292-I296 WeakPolarHBondContact O-CD1 3.1Å; A292-I296 VanDerWaalsContact O-CG1 3.23Å; A292-I296 WeakPolarHBondContact O-CG1 3.47Å; A292-I296 PolarHBondContact O-N 2.82Å; I293-I296 PolarHBondContact O-N 3.4Å; I296-N299 PolarHBondContact O-N 2.91Å; I296-S300 VanDerWaalsContact O-CB 3.31Å; I296-S300 WeakPolarHBondContact O-CB 3.44Å; I296-S300 PolarHBondContact O-N 3.36Å; I296-S300 PolarHBondContact O-OG 3.21Å
297L85.6Confident71.5Confident90 Ų9091.8 Ų91.847%0.47151%0.513SS..Hα-helixtrans-67.6-42.3179.6-70.3174.9000112.7F270 I293 E294 N299 G301F270-L297 HydrophobicContact CE1-CD2 3.92Å; F270-L297 HydrophobicContact CE1-CG 4.47Å; F270-L297 HydrophobicContact CZ-CD2 4.03Å; F270-L297 HydrophobicContact CZ-CG 4.1Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.48Å; I293-L297 VanDerWaalsContact O-CG 3.3Å; I293-L297 WeakPolarHBondContact O-CG 3.06Å; I293-L297 PolarHBondContact O-N 3.15Å; E294-L297 PolarHBondContact O-N 3.44Å; L297-N299 PolarHBondContact O-N 3.34Å; L297-G301 PolarHBondContact O-N 2.89Å
298N83.3Confident69.5Low135 Ų13591.4 Ų91.472%0.72253%0.532SS*.Hα-helixtrans-64.7-27.2178-76.6-28000113E294E294-N298 VanDerWaalsContact O-CB 3.31Å; E294-N298 WeakPolarHBondContact O-CB 3.46Å; E294-N298 VanDerWaalsContact O-CG 3.26Å; E294-N298 PolarHBondContact O-N 3.14Å; E294-N298 PolarHBondContact O-ND2 3.12Å
299N67.9Low66.6Low94 Ų9491.9 Ų91.950%0.50355%0.551SS.*Hα-helixtrans-88.9-44.7176.8-156.55.9000112Q295 I296 L297 G301 A302 W314Q295-N299 WeakPolarHBondContact O-CB 3.37Å; Q295-N299 PolarHBondContact O-N 3.23Å; I296-N299 PolarHBondContact O-N 2.91Å; L297-N299 PolarHBondContact O-N 3.34Å; N299-G301 VanDerWaalsContact C-N 3.26Å; N299-G301 PolarHBondContact O-N 2.71Å; N299-A302 WeakPolarHBondContact O-CB 3.42Å; N299-A302 PolarHBondContact O-N 2.9Å; N299-W314 WeakPolarHBondContact ND2-CH2 3.33Å
300S64.1Low64.6Low40 Ų4096.3 Ų96.328%0.2858%0.581SS.*Hα-helixtrans-70.1-19.2177.358.40000113.8I296 A302 Q303I296-S300 VanDerWaalsContact O-CB 3.31Å; I296-S300 WeakPolarHBondContact O-CB 3.44Å; I296-S300 PolarHBondContact O-N 3.36Å; I296-S300 PolarHBondContact O-OG 3.21Å; S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 VanDerWaalsContact O-N 3.15Å; S300-Q303 PolarHBondContact O-N 3.08Å
301G52.6Low61.8Low67 Ų67101.1 Ų101.169%0.69160%0.598SS**THydrogen-bonded Turntrans-59.4-18.4169.400000114.5L297 N299 Q303L297-G301 PolarHBondContact O-N 2.89Å; N299-G301 VanDerWaalsContact C-N 3.26Å; N299-G301 PolarHBondContact O-N 2.71Å; G301-Q303 VanDerWaalsContact C-N 3.34Å
302A51Low59.6Low92 Ų92102.8 Ų102.876%0.7661%0.605SS**THydrogen-bonded Turntrans-80.4-11.2171.600000113.8N299 S300N299-A302 WeakPolarHBondContact O-CB 3.42Å; N299-A302 PolarHBondContact O-N 2.9Å; S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 VanDerWaalsContact O-N 3.15Å
303Q50.2Low56.9Low171 Ų171108 Ų10880%0.79964%0.638SS**  trans-119.367.1-172.4-162.1167.360.100112.1S300 G301S300-Q303 PolarHBondContact O-N 3.08Å; G301-Q303 VanDerWaalsContact C-N 3.34Å
304A39Very low54.3Low87 Ų87115 Ų11572%0.71966%0.661SS**  trans-59.5144.816700000111N306A304-N306 PolarHBondContact O-N 3.26Å
305P46.8Very low51.9Low120 Ų120115.3 Ų115.378%0.77967%0.671SS**  trans-79.1118.8-159.129.2-35.6000113.3
306N43Very low49.9Very low158 Ų158115.4 Ų115.485%0.84569%0.689SS**  trans-159.7144.3157.4-114-59.4000113.9A304A304-N306 PolarHBondContact O-N 3.26Å
307K38Very low47.5Very low207 Ų207123.9 Ų123.990%0.973%0.729SS**  trans66.2145.9-179-63.8-170.7174.6-1760117.2
308A39.4Very low45.6Very low109 Ų109131.1 Ų131.190%0.90175%0.75SS**  trans-100.6148.7175.400000110.8
309G31Very low43.7Very low71 Ų71133.9 Ų133.973%0.73276%0.761SS**  trans164.8129176.500000110
310P47.3Very low42.3Very low127 Ų127136.4 Ų136.483%0.82577%0.774SS**  trans-97.6129.417934.7-29.4000111.9
311E31.3Very low41.1Very low187 Ų187143.6 Ų143.687%0.87480%0.803SS**  trans-169.4168.7150.9-103-11280.300110.7
312E40.9Very low40.1Very low133 Ų133147.9 Ų147.962%0.62181%0.81SS**  trans-107.6130.7-172.2-52.9-169.4107.700111.9K274K274-E312 IonicContact NZ-OE1 2.6Å; K274-E312 PolarHBondContact NZ-OE1 3.11Å
313T34.7Very low39.5Very low111 Ų111147.2 Ų147.268%0.68180%0.804SS**  trans-151.197.4162.7-41.90000111.7T315T313-T315 HydrophobicContact CG2-CG2 4.05Å
314W34.5Very low38.7Very low190 Ų190147.8 Ų147.872%0.7281%0.807SS**  trans-124.673.5160.9-88.866.2000108N299N299-W314 WeakPolarHBondContact ND2-CH2 3.33Å
315T37.5Very low38.3Very low117 Ų117151.7 Ų151.772%0.71881%0.81SS**  trans-81.2143.3177.842.90000111.5T313 E317T313-T315 HydrophobicContact CG2-CG2 4.05Å; T315-E317 PolarHBondContact O-N 3.03Å
316A41.8Very low38.7Very low107 Ų107150.9 Ų150.988%0.88481%0.805SS**  trans-84.691.8-16600000114.1
317E37.7Very low39.1Very low188 Ų188149.7 Ų149.788%0.87981%0.806SS**  trans-13269.7169.6-73.2-157.3109.900113.3T315T315-E317 PolarHBondContact O-N 3.03Å
318R46Very low38.7Very low243 Ų243145 Ų14592%0.91781%0.806SS**  trans-156.249.1161.1-154.2179.2-77.9-170.7-3.4115.1
319M42.6Very low38.2Very low192 Ų192143.2 Ų143.295%0.94680%0.798SS**SBendtrans-126.619.7174.6-66-163.576.400114.8
320L39.5Very low38.2Very low148 Ų148145.8 Ų145.878%0.77581%0.805SS**  trans-143.435.2-175-123.7150.2000116.9
321Q38Very low37.5Very low191 Ų191144.3 Ų144.389%0.89380%0.803SS**  trans-143.378.7155.8-102.79351.200106.5
322N31.6Very low37.4Very low156 Ų156142.6 Ų142.683%0.83481%0.806SS**  57.4135.670.9-160.747.2000114.5
323A38.5Very low37Very low78 Ų78141.3 Ų141.365%0.64582%0.818SS**  trans-77.1150.3-171.700000113.8
324Q32.7Very low36.8Very low184 Ų184140.9 Ų140.986%0.8683%0.826SS**  trans-160.2152.4133.2-166.854.78.800110.9
325Q31.2Very low36.8Very low168 Ų168138 Ų13879%0.78583%0.829SS**  trans-116.9-178.1176.5-132.3-164.6-3.700111.3
326P56.4Low37.2Very low104 Ų104138.5 Ų138.568%0.67583%0.834SS**  -87.4-174-127.743.7-35.4000114.6
327P50.3Low36.8Very low132 Ų132139.7 Ų139.786%0.85783%0.831SS**  -142-168.894.438-21.8000114.4
328A30.1Very low36.8Very low109 Ų109142.4 Ų142.490%0.90183%0.833SS**  trans-117.6164.8-168.400000114.5
329G29.1Very low36.6Very low71 Ų71136.5 Ų136.573%0.73283%0.826SS**  trans179.2104.4172.100000117.9
330S31.5Very low36.2Very low126 Ų126135.4 Ų135.488%0.88182%0.821SS**  trans47.4103.6141.1-54.20000123.7
331A31.4Very low36.1Very low95 Ų95136.2 Ų136.279%0.78583%0.825SS**  trans12.6137.3138.800000123.5
332T30.4Very low36.2Very low152 Ų152132.9 Ų132.993%0.93382%0.82SS**  -165174.1116.614.50000111
333A30.6Very low37.1Very low106 Ų106129.5 Ų129.588%0.87682%0.822SS**  trans-121.3151.3-16500000114.9
334A30.8Very low37Very low102 Ų102130.4 Ų130.484%0.84383%0.829SS**  trans-157.6150.1156.600000110.8
335T35.9Very low37.6Very low130 Ų130130.4 Ų130.480%0.79883%0.831SS**  trans-92.4169.3170.153.40000110.8
336P45.2Very low38Very low127 Ų127128.9 Ų128.983%0.82583%0.834SS**  -139.8165.7105.337.3-25.3000115.5
337T33.5Very low37.4Very low131 Ų131131.8 Ų131.880%0.80484%0.843SS**  trans-78153.9-174.448.90000114.9
338R36.7Very low37.1Very low245 Ų245129.3 Ų129.393%0.92583%0.828SS**  trans-163165.5136-107.3-168.7158.5-176.3-7.7111.2
339P42.8Very low38.1Very low119 Ų119132.2 Ų132.277%0.77383%0.829SS**  trans-96.5169.5-145.537.9-40.7000116.8
340M34.4Very low39.5Very low170 Ų170139 Ų13984%0.83783%0.832SS**  trans-73.1152173.3-67.5-175.269.600114.1
341L38Very low40.6Very low165 Ų165137.6 Ų137.686%0.86482%0.823SS**  trans-122.8144.2144.2-84.3166.6000108.3
342P39.8Very low41.4Very low121 Ų121137.7 Ų137.779%0.78682%0.824SS**SBendtrans-85.3141.6-175.433.2-34000112.6
343G49.2Very low42.5Very low85 Ų85139.4 Ų139.488%0.87682%0.818SS**  trans116.357.8163.200000117.2
344A36.8Very low43.4Very low97 Ų97138.9 Ų138.980%0.80281%0.808SS**  trans-142.1126.7161.300000110.5T346A344-T346 PolarHBondContact O-N 2.76Å
345M45.3Very low44Very low183 Ų183140.3 Ų140.390%0.90181%0.809SS**  trans-77.8118.3177-69-68.8-159.400110.1L347M345-L347 PolarHBondContact O-N 3.22Å; M345-L347 VanDerWaalsContact O-N 3.14Å
346T39.7Very low44.4Very low136 Ų136142.3 Ų142.383%0.83481%0.814SS**  trans-74.7101.1170.155.90000109.8A344 S348A344-T346 PolarHBondContact O-N 2.76Å; T346-S348 PolarHBondContact O-N 2.99Å
347L44.3Very low44.5Very low166 Ų166144.5 Ų144.587%0.86981%0.813SS**  trans-61.7119.3171.4-73.1172.4000109.5M345M345-L347 PolarHBondContact O-N 3.22Å; M345-L347 VanDerWaalsContact O-N 3.14Å
348S42.9Very low45Very low79 Ų79144 Ų14455%0.55281%0.812SS**  trans-85.6122.5-170.7-163.70000111T346 R350T346-S348 PolarHBondContact O-N 2.99Å; S348-R350 VanDerWaalsContact C-N 3.34Å; S348-R350 PolarHBondContact O-N 2.8Å; S348-R350 PolarHBondContact OG-NE 2.81Å; S348-R350 VanDerWaalsContact OG-NE 3.16Å
349N52.1Low44.9Very low171 Ų171140 Ų14091%0.91481%0.809SS**  trans-65.589.6170.6-74.6-2.7000110.3
350R57.8Low44.5Very low213 Ų213138.1 Ų138.180%0.80480%0.803SS**  trans-131.7130.2176.5-68.3-178.1-177.1-97.5-1.9110.3S348S348-R350 VanDerWaalsContact C-N 3.34Å; S348-R350 PolarHBondContact O-N 2.8Å; S348-R350 PolarHBondContact OG-NE 2.81Å; S348-R350 VanDerWaalsContact OG-NE 3.16Å
351S54.9Low45Very low97 Ų97135.7 Ų135.768%0.67880%0.8SS**  trans-68.6150-174-176.30000112.5F353S351-F353 PolarHBondContact O-N 3.3Å; S351-F353 VanDerWaalsContact O-N 3.15Å
352A47.5Very low44.9Very low97 Ų97136.2 Ų136.280%0.80280%0.798SS**SBendtrans-73.21.4-177.300000114.9
353F54.8Low44.6Very low187 Ų187140.2 Ų140.282%0.8280%0.804SS**  trans-117.289.3-178.5-65.9-79.7000111.2S351S351-F353 PolarHBondContact O-N 3.3Å; S351-F353 VanDerWaalsContact O-N 3.15Å
354S49.9Very low43.9Very low95 Ų95139.7 Ų139.766%0.66480%0.798SS**  trans-151.3129.2168.8-73.70000109.8
355P41.8Very low43.6Very low132 Ų132140.1 Ų140.186%0.85780%0.801SS**PPolyproline II helixtrans-63.9136.1-179.6-22.533.9000112.5Q357P355-Q357 PolarHBondContact O-N 2.67Å
356L45.7Very low43.2Very low173 Ų173139 Ų13991%0.90680%0.799SS**PPolyproline II helixtrans-75124.6179.6-63.4175.5000111.4
357Q47.4Very low43.5Very low173 Ų173138.4 Ų138.481%0.80880%0.797SS**PPolyproline II helixtrans-86.5142.3164.6-71.7-85.9-27.800109.5P355P355-Q357 PolarHBondContact O-N 2.67Å
358P42.4Very low43.1Very low121 Ų121133.5 Ų133.579%0.78679%0.787SS**PPolyproline II helixtrans-71.2139.5174.929.5-33.5000111.6
359N35.7Very low42.8Very low161 Ų161136.4 Ų136.486%0.86180%0.802SS**PPolyproline II helixtrans-71.4150.6-177-98.6-54.2000113.7
360A34.4Very low42.4Very low78 Ų78138.9 Ų138.965%0.64580%0.8SS**  trans-112.9139.9160.800000109.7
361P44.7Very low42.1Very low120 Ų120133.8 Ų133.878%0.77980%0.795SS**  trans-79.9139.4-173.531.7-34.8000112.5
362H35.1Very low41.4Very low175 Ų175138 Ų13881%0.8181%0.809SS**  trans-108.6100.8171.842.3-87000109.4
363F33.9Very low40.8Very low206 Ų206136 Ų13690%0.90480%0.798SS**  trans-86.5124.4170.5-109.2-93000109.7
364G34Very low39.8Very low74 Ų74134.2 Ų134.276%0.76380%0.802SS**  trans-78.6141.9161.600000109.9
365A32.2Very low39.1Very low105 Ų105137.1 Ų137.187%0.86880%0.804SS**  trans-121.6137.3176.300000110.1
366D36.6Very low39.2Very low159 Ų159137.8 Ų137.885%0.8580%0.8SS**  trans-116.5136.3179-155.115.9000108.2
367P45.9Very low38.6Very low124 Ų124132.9 Ų132.981%0.80579%0.791SS**  trans-96.6114.3-157.734.3-32.5000115.5
368G36.5Very low38.5Very low64 Ų64132.7 Ų132.766%0.6680%0.795SS**  101.7109.9123.400000119.4
369T35Very low38.5Very low140 Ų140134.8 Ų134.886%0.85980%0.799SS**  trans-158.583.6139.4-1.40000112.5
370Y44.5Very low38.9Very low223 Ų223132.9 Ų132.988%0.87580%0.796SS**  trans43.3159.4141.4-76.7-59.5000123.3
371P51.1Low39Very low106 Ų106136.9 Ų136.969%0.68881%0.806SS**  -137.8175.7-126.544.1-26000116.9
372L39.9Very low38.7Very low186 Ų186141.2 Ų141.297%0.97481%0.806SS**  trans-172.6136.4153.6-96.5141.8000107.9
373G35.4Very low38.8Very low55 Ų55139.6 Ų139.657%0.56780%0.803SS**  cis172.1120.7-13.800000112.5
374T33.8Very low38.5Very low148 Ų148133.4 Ų133.491%0.90879%0.79SS**  trans68.7160.9175.178.50000116.2
375H34.7Very low38.4Very low156 Ų156140.7 Ų140.772%0.72280%0.796SS**  cis-149.415310.1-165.8-147.4000112.4
376L44.9Very low38.4Very low147 Ų147140 Ų14077%0.7779%0.785SS**  trans54116.8171-61.2176.5000120
377G33.2Very low38.2Very low69 Ų69135.7 Ų135.771%0.71177%0.771SS**  trans-127.4145.3151.900000110.4
378L45.1Very low37.9Very low170 Ų170138.6 Ų138.689%0.8977%0.774SS**  trans-138.8120167-74.4178.5000109.6
379N41.9Very low38Very low164 Ų164140 Ų14088%0.87777%0.773SS**  trans-87.9142.1163-102.4-65.9000109.1
380P43.8Very low38.4Very low121 Ų121145 Ų14579%0.78678%0.777SS**  trans-111.8129.5154.84.216.7000112.2
381L37.2Very low38.1Very low163 Ų163137.9 Ų137.985%0.85377%0.77SS**  trans-71.1146.4174.7-79.8157.8000112.9
382R37.9Very low38.2Very low211 Ų211141.8 Ų141.880%0.79679%0.785SS**  35.3141.1124.6-104.6-93.8-166.8137.7-1.8120.3
383L36.6Very low38.3Very low141 Ų141136.9 Ų136.974%0.73877%0.771SS**  trans90132.8146.5-89.3160000122.2
384A28Very low38.7Very low76 Ų76143.6 Ų143.663%0.62879%0.785SS**  trans80.1127.4135.100000122.8
385Y31.7Very low39Very low226 Ų226144.1 Ų144.189%0.88678%0.779SS**  trans64.1167.1150-84.8-123.2000118
386S33.4Very low39.4Very low91 Ų91143 Ų14364%0.63678%0.783SS**  cis-167.9130.3-42.3-175.80000111.6
387A32.3Very low40Very low69 Ų69141 Ų14157%0.5778%0.779SS**  trans58.1158.3149.500000122.8
388H38.2Very low40.3Very low185 Ų185147.7 Ų147.786%0.85678%0.784SS**  trans75.3137.3167.3-51.8107.7000117.1
389S40.1Very low40.2Very low93 Ų93145.7 Ų145.765%0.6578%0.784SS**  cis-154.5169.82.656.90000112.9
390R43.4Very low40.2Very low246 Ų246144.3 Ų144.393%0.92878%0.782SS**  trans75.9120.7171.6-47.4168.4-168.4-172.30.5115.1
391G36.7Very low40Very low72 Ų72145.3 Ų145.374%0.74279%0.786SS**  cis173.1166.5-8.500000113.6
392L54.9Low40.3Very low189 Ų189141 Ų14199%0.9978%0.78SS**  trans78.2154.1178.9-53180000117.4
393A41.4Very low40.6Very low82 Ų82139.5 Ų139.568%0.67879%0.788SS**  trans-100.7175.6-165.100000112.1
394F44.1Very low41Very low197 Ų197139.7 Ų139.786%0.86479%0.786SS**  -147.716451.8-90.7-92.7000115.7
395M38.6Very low42Very low158 Ų158141.7 Ų141.778%0.77879%0.793SS**  trans-37.6142.1-177.3-63.2159.157.100119.2
396T44Very low42.6Very low132 Ų132135.6 Ų135.681%0.8178%0.78SS**  trans-132.1126.6142.646.20000109.8
397P56.4Low43.1Very low106 Ų106139.8 Ų139.869%0.68879%0.794SS**  trans-93.4105.1179.132.8-30.7000113
398Y41.1Very low43.2Very low210 Ų210140.1 Ų140.182%0.82480%0.804SS**  trans40.9113.1144.1-57.1-76.5000121
399S43.1Very low43.4Very low127 Ų127141.5 Ų141.589%0.88881%0.808SS**  trans-66138.4134-50.60000109.4
400T40.9Very low43.4Very low136 Ų136148.2 Ų148.283%0.83482%0.819SS**  trans-129.4144.3172.41750000109.6
401T40.4Very low43.6Very low142 Ų142141 Ų14187%0.87180%0.804SS**  trans-122.3131.2-166.910.70000112.2
402G42.1Very low44Very low71 Ų71142.8 Ų142.873%0.73280%0.803SS**  trans94108.3158.200000115.8
403L44.3Very low43.6Very low181 Ų181141.3 Ų141.395%0.94879%0.793SS**  -163.9153.7116.7-99.3168.8000108.1
404M46.8Very low43.6Very low144 Ų144143.9 Ų143.971%0.70980%0.795SS**  trans-132.5130.9-175.2-161.6-89.2171.900110T406M404-T406 HydrophobicContact CE-CG2 3.86Å; M404-T406 HydrophobicContact SD-CG2 3.63Å
405P48.6Very low43.6Very low118 Ų118142.8 Ų142.877%0.76679%0.786SS**  trans-117.1154.6150.8-1.422.9000112.2
406T43.3Very low44.2Very low99 Ų99139.8 Ų139.861%0.60779%0.787SS**  trans-97.1169.9-175.154.50000112.8M404M404-T406 HydrophobicContact CE-CG2 3.86Å; M404-T406 HydrophobicContact SD-CG2 3.63Å
407L43.3Very low44Very low178 Ų178139.9 Ų139.993%0.93278%0.776SS**  trans73.9136.6162.4-61.7159.2000117.5
408G34.5Very low43.6Very low76 Ų76139.8 Ų139.878%0.78478%0.778SS**  trans159.695175.500000112
409F42.8Very low43.8Very low214 Ų214137 Ų13794%0.93978%0.778SS**  trans-65.8142.9172.7-98-122.2000110.8
410R41.6Very low44.3Very low234 Ų234137.8 Ų137.888%0.88377%0.771SS**  trans-106.4117.3163.2-179.6175.7180168.10.4108.6
411P47.3Very low44.9Very low96 Ų96138.4 Ų138.462%0.62377%0.767SS**  trans-73.3158.317231.9-34.7000111
412P43.9Very low45.7Very low109 Ų109142.2 Ų142.271%0.70877%0.766SS**  trans-58.9154.3160.5-18.232.3000111.1
413M47.2Very low45.7Very low158 Ų158146.1 Ų146.178%0.77877%0.77SS**  trans-133.495.1169.6-90.8-82.9-74.500106.8Y415M413-Y415 PolarHBondContact O-N 2.96Å
414D40.2Very low45.7Very low136 Ų136148.9 Ų148.973%0.72777%0.768SS**  trans-69.9123.4174.1-56.8-78.3000109.3
415Y45.1Very low45.7Very low173 Ų173147.5 Ų147.568%0.67877%0.767SS**  trans-120.891.5-174-148.9-92000110.1M413 F417M413-Y415 PolarHBondContact O-N 2.96Å; Y415-F417 HydrophobicContact CD1-CD2 4.46Å; Y415-F417 HydrophobicContact CE1-CD2 4.02Å; Y415-F417 PolarHBondContact O-N 2.73Å
416A51Low45.6Very low96 Ų96149.7 Ų149.779%0.79377%0.77SS**  trans-73.3118.1179.200000110.8
417F40.6Very low45.6Very low133 Ų133152.9 Ų152.958%0.58378%0.782SS**  trans-145.647.8178.6-141.5-86.8000112.8Y415 L420Y415-F417 HydrophobicContact CD1-CD2 4.46Å; Y415-F417 HydrophobicContact CE1-CD2 4.02Å; Y415-F417 PolarHBondContact O-N 2.73Å; F417-L420 HydrophobicContact CE1-CD1 4.14Å; F417-L420 HydrophobicContact CZ-CD1 4.14Å
418S46.6Very low45.4Very low104 Ų104153.6 Ų153.673%0.72778%0.78SS**  trans-102.4-19-170.2-54.10000115.5
419D46.8Very low45.5Very low153 Ų153159.1 Ų159.182%0.81878%0.783SS**THydrogen-bonded Turntrans-93.2-3.5-164.7-72.8-46.3000116.3
420L53.7Low45.1Very low142 Ų142156.2 Ų156.274%0.74377%0.772SS**THydrogen-bonded Turntrans-94-3.8-175.4-87.5163.5000115.8F417F417-L420 HydrophobicContact CE1-CD1 4.14Å; F417-L420 HydrophobicContact CZ-CD1 4.14Å
421I53.4Low44.7Very low149 Ų149154.4 Ų154.476%0.76477%0.774SS**SBendtrans-97.7-18.9-173.8-60.7178.7000112.7
422R56.3Low43.8Very low223 Ų223153.2 Ų153.284%0.84278%0.779SS**SBendtrans-83.7-17.2-171.6-170.3161.6-76.4158.1-1.2115
423D42.8Very low43.4Very low152 Ų152159 Ų15981%0.81379%0.788SS**THydrogen-bonded Turntrans-101.623.4-163.4-154.328.3000115.5
424R44.3Very low42.8Very low240 Ų240155.9 Ų155.991%0.90679%0.788SS**THydrogen-bonded Turntrans-1188.2-177-164.1161.4172.9136.5-1115.2
425T46.3Very low42.5Very low114 Ų114155.5 Ų155.570%0.69980%0.795SS**SBendtrans-106.41.5-176.251.80000114.9
426M45.7Very low41.9Very low165 Ų165150.6 Ų150.681%0.81380%0.797SS**SBendtrans-114.528.1-168.9-76.2-67.8132.300116
427L43.5Very low41.4Very low166 Ų166153.2 Ų153.287%0.86980%0.798SS**  trans-13970.4173.2-93.4178.3000113.4
428H40.6Very low41.1Very low193 Ų193157.4 Ų157.489%0.89481%0.811SS**SBendtrans-156.237.3160.3-138.5-73.7000117.3
429K36.7Very low40.5Very low192 Ų192155.3 Ų155.384%0.83581%0.806SS**  trans-15395.1170.2-168178-179.2-177.80114
430E32.8Very low41.2Very low152 Ų152153.8 Ų153.871%0.7180%0.804SS**  trans-168.6117.2141.2-110.4-43.7123.300110.6
431Q33.4Very low40.6Very low197 Ų197155.1 Ų155.192%0.92181%0.811SS**  trans-175.690.7169.4-16780.560.700109.2
432G29.4Very low39.9Very low71 Ų71153.9 Ų153.973%0.73281%0.811SS**  trans177.240.5-177.300000120.4
433Y34.6Very low38.9Very low229 Ų229149.2 Ų149.290%0.89880%0.802SS**  trans-87.7125.5168.7-101.5-92.1000111.8
434A34.6Very low38.5Very low94 Ų94148.8 Ų148.878%0.77780%0.8SS**  trans170.5109.7133.500000115.6
435S33.7Very low38.5Very low127 Ų127142.9 Ų142.989%0.88879%0.791SS**  trans40.4121.2131.5-151.90000123.9
436G33.4Very low39.1Very low70 Ų70142.7 Ų142.772%0.72279%0.792SS**  trans78.6173.3148.800000117.9
437L39.3Very low39Very low152 Ų152140.8 Ų140.880%0.79679%0.785SS**  cis-166.3147.8-18.4-118.2176.1000108.6
438Y34.4Very low38.9Very low220 Ų220140.9 Ų140.986%0.86378%0.778SS**  trans63.9149.1175.2-78-93.8000120
439G34Very low38.9Very low60 Ų60143.7 Ų143.762%0.61979%0.792SS**  trans-130.9-149.914900000107.1
440P63.2Low39Very low122 Ų122141.3 Ų141.379%0.79279%0.789SS**  cis-119.5-169.8-1842.3-29.1000111.1
441L39.4Very low39.3Very low170 Ų170140.7 Ų140.789%0.8979%0.794SS**  trans-156.5168.9147-139.774.1000112.7
442V39.1Very low39.7Very low123 Ų123137.6 Ų137.675%0.74579%0.787SS**  trans-135155.8-169.4-67.70000112.6
443N35.9Very low40.3Very low124 Ų124141.5 Ų141.566%0.66379%0.79SS**  trans64.7133.5157.6-138.459.6000119.1
444N33.3Very low40.6Very low144 Ų144136.1 Ų136.177%0.7778%0.783SS**  176.9113.9105.4-87.8-56.3000112.1
445T44.3Very low41Very low116 Ų116138.9 Ų138.971%0.71278%0.783SS**  trans-68.8157.7150.250.10000109.4
446P59.4Low41.5Very low110 Ų110139.7 Ų139.771%0.71478%0.776SS**  -154.3-17966.742.7-22.4000117.2
447D43.3Very low42.2Very low125 Ų125145.1 Ų145.167%0.66878%0.78SS**  trans44.6148.2144-77.6-5.4000120.5
448K42.7Very low42.4Very low167 Ų167144.5 Ų144.573%0.72678%0.779SS**  cis-158.1175.66.4-119.1159.8-172141.30106.2
449Q39.8Very low43.1Very low253 Ų253137.6 Ų137.6100%1.18277%0.771SS**  cis-155.3027.4-166168.5-29.400110.9

Retrieved 449 of 449 residues in 524 ms (Link to these results)