A0A3P9NT05_POERE Loading...

Transcription factor E2-alpha

AlphaFold DB , UniProt , Accession A0A3P9NT05, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 634 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.6Very low40.4Very low247 Ų247164.9 Ų164.9100%1.21787%0.871SS**  0130.50-75.9166.3166.500107
2S33.5Very low40.9Very low121 Ų121167.2 Ų167.285%0.84687%0.873SS**  trans-161.191.3-170.950.90000110.5
3E41.2Very low41.5Very low193 Ų193163.3 Ų163.390%0.90286%0.861SS**  trans-141.7119160.2-78.7-160.5111.300108.7
4Q38.5Very low42.4Very low205 Ų205158.8 Ų158.896%0.95884%0.838SS**  trans-151.9136.1130.9-133.5167.1-4.500109.6
5Q45.8Very low43.5Very low172 Ų172158.7 Ų158.780%0.80483%0.828SS**  trans-112.3136.7-168.7174.6-170.762.300108.7
6Q44Very low44.4Very low143 Ų143158.5 Ų158.567%0.66882%0.821SS**  trans-177144.4135.9-104.516650.900116.8
7R41.2Very low45.2Very low211 Ų211155.4 Ų155.480%0.79681%0.806SS**  trans75.3128.3144.8-70.1167.2-158.4-74.1-8.8120.9
8M43.7Very low46Very low193 Ų193150 Ų15095%0.95178%0.784SS**  trans-73.7150.8156.4-55.8168.9-73.400110.3
9A39.1Very low46.8Very low103 Ų103148.2 Ų148.285%0.85178%0.775SS**  trans-137.9150.8153.900000107.7
10A40.1Very low47.6Very low100 Ų100147.3 Ų147.383%0.82677%0.77SS**  trans-83.9160.6-172.300000112.8E12A10-E12 PolarHBondContact O-N 3.4Å
11V42.3Very low48.5Very low126 Ų126146.2 Ų146.276%0.76477%0.765SS**  trans-70120.6170.4177.10000109T13V11-T13 HydrophobicContact CG1-CG2 4.01Å; V11-T13 PolarHBondContact O-N 3.03Å
12E46.4Very low49.8Very low192 Ų192138.8 Ų138.890%0.89773%0.73SS**  trans-77.596.9166.1-171.6161.1-149.200107.6A10 D14A10-E12 PolarHBondContact O-N 3.4Å; E12-D14 PolarHBondContact O-N 3.28Å
13T49.5Very low51.2Low117 Ų117139.1 Ų139.172%0.71872%0.716SS**  trans-74.8122.1-178.250.20000110.2V11 K15V11-T13 HydrophobicContact CG1-CG2 4.01Å; V11-T13 PolarHBondContact O-N 3.03Å; T13-K15 PolarHBondContact O-N 3.44Å
14D53.6Low52.1Low100 Ų100134 Ų13454%0.53570%0.702SS.*  trans-55.8119.7-175.1-164.3-17.4000112.3E12 E16 L17E12-D14 PolarHBondContact O-N 3.28Å; D14-E16 PolarHBondContact OD1-N 2.97Å; D14-L17 HydrophobicContact CB-CD1 4.07Å; D14-L17 HydrophobicContact CB-CG 4.19Å
15K59.1Low53Low158 Ų158128.5 Ų128.569%0.68769%0.691SS**SBendtrans-82.4-18.8-171.4-161.8179.8178-169.50112.5T13 L17 S18T13-K15 PolarHBondContact O-N 3.44Å; K15-L17 PolarHBondContact O-N 3Å; K15-S18 PolarHBondContact O-N 2.91Å; K15-S18 PolarHBondContact O-OG 2.99Å
16E57.7Low53.7Low155 Ų155126.2 Ų126.272%0.72468%0.682SS**Hα-helixtrans-74-21.5176.9-58-170.8174.400111.3D14D14-E16 PolarHBondContact OD1-N 2.97Å
17L58.4Low54.4Low105 Ų105127.4 Ų127.455%0.5569%0.686SS.*Hα-helixtrans-78.1-25.5175.3-61.9-178.5000114D14 K15 L21D14-L17 HydrophobicContact CB-CD1 4.07Å; D14-L17 HydrophobicContact CB-CG 4.19Å; K15-L17 PolarHBondContact O-N 3Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å
18S59.8Low55.5Low59 Ų59121.3 Ų121.341%0.41368%0.68SS.*Hα-helixtrans-71.1-39.1173.749.60000111.8K15 L20 L21 D22K15-S18 PolarHBondContact O-N 2.91Å; K15-S18 PolarHBondContact O-OG 2.99Å; S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 2.92Å; S18-L21 PolarHBondContact O-N 3.42Å; S18-D22 PolarHBondContact O-N 3.04Å; S18-D22 VanDerWaalsContact O-N 3.07Å
19D60.6Low56.1Low116 Ų116117.1 Ų117.162%0.6267%0.668SS**Hα-helixtrans-74.4-23.6-174.5-64.117.5000111.3L21D19-L21 VanDerWaalsContact C-N 3.28Å
20L63.3Low56.7Low129 Ų129118.4 Ų118.468%0.67567%0.667SS**THydrogen-bonded Turntrans-74-12.3168.1-79.6167.2000114.4S18S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 2.92Å
21L65.8Low57.3Low126 Ų126120.5 Ų120.566%0.6667%0.669SS**THydrogen-bonded Turntrans-111-15.5-179.2-66.6173.2000113.2L17 S18 D19 F23L17-L21 WeakPolarHBondContact O-CG 3.47Å; S18-L21 PolarHBondContact O-N 3.42Å; D19-L21 VanDerWaalsContact C-N 3.28Å; L21-F23 PolarHBondContact O-N 3.26Å
22D62.4Low57.4Low90 Ų90119.2 Ų119.248%0.48167%0.672SS.*  trans-81.880.4178.6-171.119.2000113.2S18 S24S18-D22 PolarHBondContact O-N 3.04Å; S18-D22 VanDerWaalsContact O-N 3.07Å; D22-S24 PolarHBondContact O-N 3.41Å; D22-S24 VanDerWaalsContact O-N 3.11Å; D22-S24 WeakPolarHBondContact OD1-CB 3.24Å; D22-S24 PolarHBondContact OD1-N 2.93Å; D22-S24 PolarHBondContact OD1-OG 3.04Å
23F62.3Low56.8Low128 Ų128117.3 Ų117.356%0.56167%0.668SS**G310 helixtrans-66.6-3.8172.8-61.1-62.5000114.4L21 A25 M26L21-F23 PolarHBondContact O-N 3.26Å; F23-A25 PolarHBondContact O-N 3.08Å; F23-M26 HydrophobicContact CB-CE 4.36Å; F23-M26 HydrophobicContact CD1-CE 3.58Å; F23-M26 HydrophobicContact CD1-SD 4.33Å; F23-M26 HydrophobicContact CE1-CE 4.32Å; F23-M26 HydrophobicContact CG-CE 4.34Å; F23-M26 PolarHBondContact O-N 3.29Å
24S59.6Low56.3Low85 Ų85114.8 Ų114.859%0.59467%0.665SS**G310 helixtrans-59.8-30.8-179.6-50.20000112.6D22 M26 F27D22-S24 PolarHBondContact O-N 3.41Å; D22-S24 VanDerWaalsContact O-N 3.11Å; D22-S24 WeakPolarHBondContact OD1-CB 3.24Å; D22-S24 PolarHBondContact OD1-N 2.93Å; D22-S24 PolarHBondContact OD1-OG 3.04Å; S24-M26 PolarHBondContact O-N 3.33Å; S24-F27 PolarHBondContact O-N 3.23Å
25A58.8Low56Low90 Ų90119.3 Ų119.374%0.74468%0.68SS**G310 helixtrans-65.6-22.9176.600000113.8F23F23-A25 PolarHBondContact O-N 3.08Å
26M60.3Low54.9Low124 Ų124118.8 Ų118.861%0.61169%0.685SS**G310 helixtrans-86.5-20.9-178.5-55.1-161.7-45.800113.7F23 S24F23-M26 HydrophobicContact CB-CE 4.36Å; F23-M26 HydrophobicContact CD1-CE 3.58Å; F23-M26 HydrophobicContact CD1-SD 4.33Å; F23-M26 HydrophobicContact CE1-CE 4.32Å; F23-M26 HydrophobicContact CG-CE 4.34Å; F23-M26 PolarHBondContact O-N 3.29Å; S24-M26 PolarHBondContact O-N 3.33Å
27F59.1Low53.9Low169 Ų169122.6 Ų122.674%0.74169%0.692SS**  trans-134.255.5-173.3-68.9-75.3000112.3S24 P29S24-F27 PolarHBondContact O-N 3.23Å; F27-P29 WeakPolarHBondContact O-CD 3.32Å
28A62.9Low53Low82 Ų82123.4 Ų123.468%0.67870%0.702SS**PPolyproline II helixtrans-60.2119.617000000110.7
29P56.7Low51.6Low106 Ų106129.6 Ų129.669%0.68873%0.727SS**PPolyproline II helixtrans-67.7145.2176.928-34000110.6F27 V31F27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-V31 PolarHBondContact O-N 2.97Å; P29-V31 VanDerWaalsContact O-N 3.15Å
30P51.6Low50.4Low130 Ų130129.4 Ų129.484%0.84473%0.73SS**PPolyproline II helixtrans-63.9118.2-173.524.6-33.9000111.8A32P30-A32 PolarHBondContact O-N 2.97Å
31V53.7Low49.6Very low143 Ų143131.2 Ų131.287%0.86774%0.739SS**  trans-68.9113-174.5-151.60000110.7P29 N33P29-V31 PolarHBondContact O-N 2.97Å; P29-V31 VanDerWaalsContact O-N 3.15Å; V31-N33 PolarHBondContact O-N 2.95Å
32A43.8Very low47.8Very low99 Ų99130.1 Ų130.182%0.81875%0.749SS**  trans-73.188.7-179.600000111.7P30 G34P30-A32 PolarHBondContact O-N 2.97Å; A32-G34 PolarHBondContact O-N 3.26Å
33N33.8Very low46.4Very low152 Ų152130.3 Ų130.381%0.81376%0.757SS**  trans-66.798.1177.5-171.53000111.3V31V31-N33 PolarHBondContact O-N 2.95Å
34G39.9Very low44.9Very low64 Ų64130.1 Ų130.166%0.6677%0.767SS**  trans-77.4137.1-165.500000115.8A32A32-G34 PolarHBondContact O-N 3.26Å
35K46.3Very low43.6Very low195 Ų195132.9 Ų132.985%0.84877%0.77SS**  trans-139.735.4174.6-82.5-166175.9176.20115.8
36N36.5Very low42.4Very low148 Ų148137.8 Ų137.879%0.79178%0.775SS**SBendtrans-156.999.8168.741.9-8.8000115.7
37R37.4Very low40.9Very low234 Ų234136.7 Ų136.788%0.88378%0.779SS**  trans29.8107.1144.1-77.3-179.7-85.4-119.4-1119.8
38T39.5Very low39.6Very low123 Ų123132 Ų13276%0.75578%0.778SS**  21.1123.3123.4550000119.7
39M30.2Very low39.1Very low189 Ų189134.8 Ų134.893%0.93179%0.789SS**  -152.1153.7115.3-117.3-173.97700111.1
40T35.4Very low38Very low112 Ų112134.1 Ų134.169%0.68779%0.793SS**  trans-132.5126.9-165.5-57.40000110.9
41L45.5Very low37.6Very low166 Ų166136 Ų13687%0.86979%0.794SS**  trans48.8132.8159.7-61.7171.9000120.3
42A27.3Very low36.8Very low104 Ų104136.5 Ų136.586%0.8679%0.792SS**  trans-135.5138.3148.200000108.7
43S33.3Very low36.4Very low94 Ų94138.9 Ų138.966%0.65779%0.786SS**  trans-150.1131.4-176174.80000110.2H45S43-H45 PolarHBondContact O-CE1 3.23Å
44T30.8Very low36.5Very low124 Ų124141.2 Ų141.276%0.76178%0.784SS**  trans-148.789.7-179.2-48.60000111.8
45H33.8Very low36.1Very low142 Ų142144.2 Ų144.266%0.65779%0.794SS**  trans-10.3151.2140.326.6-93.7000116.9S43S43-H45 PolarHBondContact O-CE1 3.23Å
46F31.9Very low35.4Very low193 Ų193138.9 Ų138.985%0.84680%0.795SS**  cis-147.9-173.327.5-150.5-143.1000109.7
47S30.5Very low35.3Very low102 Ų102138.2 Ų138.271%0.71380%0.802SS**  cis-144.7-104.223.7-54.50000114.3
48G32Very low35Very low69 Ų69130.2 Ų130.271%0.71179%0.792SS**  trans177.6-167.5-173.400000111.9
49P51.6Low34.6Very low141 Ų141129.5 Ų129.592%0.91679%0.792SS**  cis-110.5-169.911.441.7-32.5000114.6
50A32.8Very low34.7Very low93 Ų93132.7 Ų132.777%0.76979%0.794SS**  trans-102.9159.6-161.800000116.7
51I44.3Very low34.6Very low169 Ų169130.7 Ų130.787%0.86780%0.796SS**  -146.4176.4127.558.4170000109.2
52D36.5Very low33.7Very low153 Ų153128.7 Ų128.782%0.81880%0.796SS**  trans-89.4160-158-72.9-80.9000119.9
53E34.8Very low33.8Very low150 Ų150129.8 Ų129.870%0.70179%0.792SS**  trans63.8141150.5-102-165.4100.600124.6
54R36.2Very low33.8Very low201 Ų201134 Ų13476%0.75880%0.802SS**  trans80.395.6154.5-69.4173.8-169.1-98.7-22.3121.3
55S31.6Very low33.9Very low126 Ų126137.3 Ų137.388%0.88181%0.808SS**  53.493120.5-53.40000119
56G31.6Very low33.7Very low84 Ų84137.9 Ų137.987%0.86682%0.816SS**  trans-111.2133.6160.500000112.3
57S34.4Very low33.7Very low134 Ų134133.8 Ų133.894%0.93781%0.811SS**  trans-160.3137154.4-173.90000108.7
58G30.4Very low34Very low66 Ų66134.2 Ų134.268%0.6881%0.812SS**  trans-166.7138.9-179.700000112.5
59S30.8Very low33.8Very low107 Ų107135.8 Ų135.875%0.74881%0.812SS**  trans57.5115.8174.6-163.40000117
60W32.6Very low32.8Very low256 Ų256137.7 Ų137.797%0.9781%0.806SS**  -154.6156112.2-85.7104000107.7
61G33.1Very low32.7Very low71 Ų71138.3 Ų138.373%0.73280%0.801SS**  trans-145.8139.5172.300000111.1
62S27.9Very low32.1Very low124 Ų124136 Ų13687%0.86780%0.795SS**  trans-156.6154.6153.7-157.20000111
63T29.6Very low32Very low127 Ų127137.2 Ų137.278%0.77980%0.795SS**  trans-67.8143.6-174.3-40.70000113.3
64E31.7Very low31.7Very low183 Ų183133 Ų13386%0.85579%0.792SS**  163.2132.9127.9-93.3-177.8-170.500111.5
65Q33.2Very low31.5Very low193 Ų193135 Ų13590%0.90280%0.8SS**  trans-163.5148.3137.1-83-130.9-300109.9
66N30.2Very low31.3Very low153 Ų153133 Ų13382%0.81879%0.785SS**  trans-138139.2178.9179.914.1000108
67S31.6Very low31.4Very low107 Ų107140 Ų14075%0.74879%0.787SS**  trans-118128.3-165.6-52.20000113.2
68P37.7Very low31.2Very low111 Ų111136.7 Ų136.772%0.72178%0.775SS**  trans-134126.3167.634.8-18.2000116.4
69S28.1Very low31.2Very low103 Ų103143 Ų14372%0.7279%0.787SS**  trans81.5161.1132-570000122.8
70F29.2Very low31.1Very low180 Ų180141.4 Ų141.479%0.78979%0.787SS**  trans69.9116.8177.9-65.9-90.8000116
71T30.5Very low31Very low107 Ų107134.6 Ų134.666%0.65678%0.778SS**  cis81.215125.583.80000116.8
72T32.1Very low31Very low120 Ų120139.4 Ų139.474%0.73678%0.781SS**  trans70.2151.3177.363.50000115.7
73Q34.8Very low31Very low178 Ų178143.5 Ų143.583%0.83278%0.784SS**  cis177.8154-18.8178.6170.4-28.200105.3
74G29.5Very low31.1Very low61 Ų61142 Ų14263%0.62978%0.779SS**  cis142.8108.61.900000110.2
75R30.3Very low31.1Very low245 Ų245141.7 Ų141.793%0.92578%0.777SS**  trans-157.1148.7176.5-75.5-160.2-168.5-73.71.8107.7
76S28.9Very low31.2Very low83 Ų83140.6 Ų140.658%0.5877%0.772SS**  cis-157.3172.3-6.7-173.90000109
77Y31.9Very low31.3Very low230 Ų230141.4 Ų141.490%0.90277%0.771SS**  trans71.5142.9175.3-47.1-77.5000115.8
78G31.2Very low31.6Very low66 Ų66139.3 Ų139.368%0.6877%0.765SS**  cis174.5152.7-10.300000113.2
79E29.9Very low31.5Very low199 Ų199142.2 Ų142.293%0.9377%0.774SS**  trans53.2169.7163.3-123.959.4-154.700121.4
80G29.8Very low31.4Very low73 Ų73142.7 Ų142.775%0.75378%0.778SS**  trans120.973.415700000118
81S29.9Very low31.9Very low112 Ų112139.6 Ų139.678%0.78378%0.778SS**  trans-50.2150177.4178.80000117
82H33.9Very low32.9Very low173 Ų173139 Ų13980%0.80178%0.776SS**  trans-26.3146.5155.4-62.4-104000117.3
83F28Very low32.8Very low209 Ų209142.6 Ų142.692%0.91778%0.782SS**  -132.5157.6129.5-139.9-94.1000110.1
84S30.3Very low33.1Very low96 Ų96141.6 Ų141.667%0.67178%0.781SS**  trans-131.9161-172.9-168.60000112.3
85E33.2Very low33.1Very low176 Ų176143.2 Ų143.282%0.82278%0.782SS**  trans-68.1146.7-177.4-58.2160.4107.300114.3
86H34.1Very low33.5Very low171 Ų171137.2 Ų137.279%0.79278%0.778SS**  trans-177.2133.5156.3-93.3-81.9000105.6
87E32.3Very low33.6Very low170 Ų170137 Ų13779%0.79479%0.789SS**  cis-145170.7-12.5-62-156.7157.900106.9
88G37.2Very low34.3Very low62 Ų62134.4 Ų134.464%0.63979%0.789SS**  cis13480.82.700000112.1
89L36Very low34.4Very low172 Ų172136 Ų13690%0.90180%0.795SS**  trans-134.4104.7175.9-75178.3000114
90S27.5Very low34.5Very low114 Ų114129.6 Ų129.680%0.79778%0.783SS**  trans32.1117.6134.2-53.30000121.8
91S38.1Very low34.9Very low114 Ų114135.8 Ų135.880%0.79779%0.789SS**  trans-75.5161.9151.6172.90000111.4
92P51.5Low35Very low96 Ų96137.6 Ų137.662%0.62379%0.79SS**  -148.8172.9120.639.5-25.3000116.6
93F30.3Very low34.9Very low194 Ų194137.3 Ų137.385%0.85179%0.789SS**  trans73.5148.9152.3-79.8-52.8000119.1
94I41.7Very low35.2Very low157 Ų157137.7 Ų137.781%0.80579%0.785SS**  cis-131.9158.11.8-55.4177.5000112.1
95S28.8Very low35.5Very low95 Ų95137.8 Ų137.866%0.66478%0.783SS**  trans-60.6160.3172.2-152.70000118.3
96S38.5Very low35.9Very low120 Ų120135.3 Ų135.384%0.83978%0.782SS**  trans37.8136.5136.5-52.30000123.4
97G31.6Very low35.7Very low78 Ų78137.3 Ų137.380%0.80479%0.785SS**  trans-151.6125.815800000112.7
98I46.4Very low35.7Very low175 Ų175135.1 Ų135.190%0.89778%0.783SS**  trans-126.6162.9177.152.7161.3000111.6
99A33.3Very low36Very low99 Ų99137.7 Ų137.782%0.81879%0.788SS**  trans94.5137.3175.400000116.7
100G31.5Very low35.7Very low66 Ų66138.8 Ų138.868%0.6879%0.786SS**  trans-162.4-40.6-176.600000116
101K40.1Very low35.7Very low202 Ų202140.2 Ų140.288%0.87879%0.79SS**  trans46.392.8159.851.8173.4172.9178.40119.3
102N31Very low35.5Very low151 Ų151139 Ų13981%0.80778%0.781SS**  trans-153.5167.2158.364.6-15.9000108.6
103E31.5Very low34.8Very low166 Ų166142.8 Ų142.878%0.77679%0.791SS**  cis-141.6-133.5-11.4-140.7-59.988.900109.6
104R34.3Very low35.7Very low217 Ų217139.1 Ų139.182%0.81979%0.786SS**  trans-123.1170-173-98-173147.2151.6-4.8116.2
105P37.7Very low35.2Very low98 Ų98135 Ų13564%0.63678%0.783SS**  trans-107.8173.4-158.742.1-38.4000115.7
106P41.8Very low35.5Very low125 Ų125138.7 Ų138.781%0.81279%0.794SS**  trans-78147.516732.5-35.3000113.9
107Y29Very low36.1Very low213 Ų213142.2 Ų142.284%0.83580%0.795SS**  trans-80.2170.7164.6-77.3-100.4000110.3
108T33.1Very low37.1Very low123 Ų123143.5 Ų143.576%0.75579%0.789SS**  cis-155.8-172.518-8.40000106.9
109P41.8Very low36.5Very low116 Ų116139.7 Ų139.775%0.75378%0.777SS**  cis-138.7160.219.141.9-21.9000119.2
110F30.4Very low36.6Very low195 Ų195141.1 Ų141.186%0.85577%0.771SS**  trans33.2118.3141.2-123.5-96.7000122.8
111V28.4Very low36.8Very low145 Ų145144.8 Ų144.888%0.87977%0.774SS**  -179.7163.7124.8147.50000108.7
112S32.1Very low36.3Very low89 Ų89139.3 Ų139.362%0.62277%0.766SS**  trans-134.3137.9-147.760.10000118
113Q38.3Very low36.5Very low175 Ų175140.8 Ų140.882%0.81877%0.77SS**  trans73.3163.7158.1-54.5-75-19.800117.4
114P47.7Very low37.1Very low116 Ų116138.4 Ų138.475%0.75377%0.769SS**  -141173.1-58.739.9-24.2000115.5
115G31.5Very low37Very low71 Ų71133.7 Ų133.773%0.73277%0.77SS**  trans154.4119.8147.300000121
116L35.1Very low37.7Very low172 Ų172134.4 Ų134.490%0.90178%0.775SS**  trans80.8162.7145.6-52.7179.3000121.4
117F51.7Low37.3Very low195 Ų195135.8 Ų135.886%0.85578%0.775SS**  trans-119.3-164.9-150.5-71.9-81.9000112.7
118P53.5Low37.5Very low105 Ų105129.8 Ų129.868%0.68277%0.77SS**  -135.9-162.9-5738.1-19.5000114
119S33.7Very low37.8Very low94 Ų94132.2 Ų132.266%0.65778%0.777SS**  trans77.2154.7142.8-72.10000120.6
120D33.6Very low37.2Very low129 Ų129131.8 Ų131.869%0.6978%0.777SS**  cis-165.6165.9-13.9-111.7-40.9000113.2
121I36.2Very low38.3Very low143 Ų143129 Ų12973%0.73378%0.778SS**  trans53.3130154.9-86.561.9000118.8
122A30.6Very low38.6Very low87 Ų87127.7 Ų127.772%0.71978%0.776SS**  cis94.1137.939.400000115.4
123M33.9Very low38.7Very low182 Ų182126.7 Ų126.790%0.89778%0.779SS**  trans-134.4139.4-164-80.2-74.9-70.300114.8
124P44.1Very low38.6Very low116 Ų116125.3 Ų125.375%0.75378%0.776SS**  trans-120-166.6176.843-32.9000115.8
125S32.3Very low38Very low118 Ų118128.7 Ų128.783%0.82578%0.779SS**  trans-159179.7-176.1-100.30000110.1
126P53.4Low38.2Very low114 Ų114131.6 Ų131.674%0.7479%0.788SS**  cis-144.3-148.625.947-25.6000116.3
127D32.2Very low38Very low154 Ų154126.9 Ų126.982%0.82478%0.781SS**  trans-22.9156169.6-67.1-65.8000122.8
128A34.3Very low37.1Very low87 Ų87123.1 Ų123.172%0.71978%0.779SS**  -174.8120.6125.300000117.7
129L39.3Very low36.1Very low173 Ų173125.1 Ų125.191%0.90678%0.779SS**  trans76.5165.6137.5-61.2173.9000123.8
130S29.7Very low36Very low108 Ų108129.5 Ų129.576%0.75579%0.787SS**  trans-118.1-177.5-160-40.60000114.5
131P51.9Low36.1Very low136 Ų136133.8 Ų133.888%0.88380%0.795SS**  -151.2-162.295.540.9-21.5000116
132S35.9Very low36.2Very low118 Ų118131.8 Ų131.883%0.82579%0.791SS**  trans-120.5165.2-164.7-177.30000114.9
133G33.2Very low36.2Very low67 Ų67132.2 Ų132.269%0.69179%0.789SS**  trans-163.9154.4178.400000113.8
134I36.1Very low36.5Very low147 Ų147134.5 Ų134.575%0.75479%0.789SS**  trans-153150.3-161-18.6171.6000115.2
135K36.8Very low36.3Very low187 Ų187135 Ų13581%0.81379%0.792SS**  trans106.9151.9150.3-65.6162.9-177.7177.70120.8
136S34.1Very low36.3Very low131 Ų131137 Ų13792%0.91679%0.794SS**  trans68.7139.5170.7-64.80000118.8
137G31.9Very low35.7Very low74 Ų74138.1 Ų138.176%0.76379%0.793SS**  cis177.7135.9-8.800000115.5
138S32.7Very low36.1Very low115 Ų115135.8 Ų135.880%0.80479%0.787SS**  trans-9.2147.8150.3-118.90000118.5
139Q32.3Very low36.1Very low148 Ų148143 Ų14369%0.69280%0.795SS**  cis-145.8167.212.3-61.9171.4-11.800107.8
140F31.5Very low36.2Very low186 Ų186145.9 Ų145.982%0.81679%0.794SS**  cis-156170.336-91.9-91.1000111.4
141Y35.1Very low36.4Very low219 Ų219152 Ų15286%0.85980%0.801SS**  trans-79.6169.3162.5-113.9-121.1000111.2
142P39.1Very low35.9Very low100 Ų100150.5 Ų150.565%0.64979%0.791SS**  cis-140.2169.418.643.7-26.1000118.6
143S31.1Very low36.2Very low97 Ų97150.6 Ų150.668%0.67879%0.788SS**  trans42.3130.5144.6630000123.3
144Y39.2Very low36.2Very low230 Ų230156.2 Ų156.290%0.90280%0.797SS**  trans-42.3139.9171.4-61.7-96.2000117.5
145P40.4Very low36Very low127 Ų127153 Ų15383%0.82580%0.799SS**PPolyproline II helixtrans-79145.5159.833.2-32.8000112.2
146N33Very low35.7Very low159 Ų159147.8 Ų147.885%0.8580%0.799SS**PPolyproline II helixtrans-94.6165-171.8-161.8-7.1000113.4
147N41Very low35.8Very low138 Ų138149.1 Ų149.174%0.73880%0.795SS**PPolyproline II helixtrans-62.9126.1-173.7-1681000113.7R149N147-R149 PolarHBondContact O-N 3.04Å
148P39.7Very low35.6Very low105 Ų105152.7 Ų152.768%0.68279%0.792SS**SBendtrans-83.572.4-169.833.7-37.9000114.9
149R35.1Very low35.6Very low237 Ų237152.3 Ų152.389%0.89479%0.785SS**  trans-171.895.5147.8-110.6161.4-70.7173.8-0.4114.3N147N147-R149 PolarHBondContact O-N 3.04Å
150R40.4Very low35.6Very low235 Ų235153.4 Ų153.489%0.88779%0.79SS**  trans-148137.8153.9-108.6-167.7-177.7-86.34.8110
151R34.5Very low36.7Very low237 Ų237148.9 Ų148.989%0.89478%0.779SS**  trans-155.7161.5166.5-79.3-149.3-17599.71107.2
152P41.5Very low36.9Very low103 Ų103147.4 Ų147.467%0.66978%0.777SS**  -113.4173-96.311.912.4000112.4
153P41.9Very low36.6Very low120 Ų120152.7 Ų152.778%0.77979%0.79SS**  trans-78.9134.3162.733.4-30.7000110.5
154E32.9Very low37Very low186 Ų186155.4 Ų155.487%0.86980%0.795SS**  trans-133.8145.9164.3-76.9-66.5175.600107.8
155G32.8Very low36.9Very low78 Ų78156.1 Ų156.180%0.80480%0.796SS**  trans-125138.9-175.200000112.5
156G29.8Very low37Very low78 Ų78158.6 Ų158.680%0.80479%0.794SS**  trans-167107.9-177.100000114.4
157L36.9Very low37.4Very low160 Ų160156.8 Ų156.884%0.83879%0.791SS**  trans-16.2173.4157.7-53.1170.8000121.3
158E26.9Very low37.6Very low149 Ų149156.4 Ų156.470%0.69680%0.796SS**  trans96.791.1148.6-124.358.4-124.500122.2
159T32Very low37.4Very low107 Ų107155.1 Ų155.166%0.65680%0.802SS**  trans65.8118.6134.161.90000125.7
160Q32.8Very low37.9Very low171 Ų171152 Ų15280%0.79980%0.802SS**  65.9-179.1125.4-60.7-77.93.400118
161P55.1Low38.2Very low90 Ų90147.1 Ų147.158%0.58480%0.801SS**  -140.7177.1-97.643.2-22.3000118
162K38Very low38Very low188 Ų188140.9 Ų140.982%0.81779%0.793SS**  trans68.1125.2162.9-56.5167.5-176.3172.40118.2
163K34.1Very low37.8Very low211 Ų211141.2 Ų141.292%0.91780%0.798SS**  -168.1155.5102.4-98.9159.3-166.1176.10112.5
164I39Very low37.6Very low154 Ų154140.8 Ų140.879%0.7979%0.793SS**  trans-108.7143-170.7-66.3163.9000110.2K166I164-K166 HydrophobicContact CG2-CG 4.28Å
165R36.8Very low37.6Very low245 Ų245143.1 Ų143.193%0.92580%0.796SS**  trans-145.4113148.4-163.2166.9-172.8151.22.1110.9
166K42.2Very low37.6Very low180 Ų180143.6 Ų143.678%0.78379%0.792SS**PPolyproline II helixtrans-94.2144.2171.3-66.6-178.6175.8-176.90109.9I164I164-K166 HydrophobicContact CG2-CG 4.28Å
167P41.3Very low37.7Very low121 Ų121145.7 Ų145.779%0.78679%0.794SS**PPolyproline II helixtrans-74.3153.3155.732.9-32.4000110.4
168P46.3Very low37.4Very low129 Ų129144.7 Ų144.784%0.83880%0.795SS**PPolyproline II helixtrans-101.5156.9-171.937.8-34.7000114.9
169G36.1Very low37.7Very low78 Ų78143.2 Ų143.280%0.80480%0.801SS**  trans95.678.5137.200000119.3
170L45Very low37.8Very low172 Ų172141 Ų14190%0.90180%0.8SS**  trans-135.8138.7148-89.5166.1000108.2
171P46.1Very low37.9Very low133 Ų133141.3 Ų141.386%0.86481%0.807SS**  trans-77148.8-172.430.6-34.6000112.9
172S31.7Very low37Very low105 Ų105144.5 Ų144.573%0.73481%0.814SS**  trans-110.4127.8-177.8167.40000111.2
173S36.4Very low36.6Very low111 Ų111144.3 Ų144.378%0.77681%0.814SS**  trans-149.287.7161.9-170.90000107
174V37.8Very low36.6Very low111 Ų111139.3 Ų139.367%0.67381%0.811SS**  54.193.479.4-172.20000111.2
175Y32Very low36.5Very low234 Ų234143.1 Ų143.192%0.91882%0.816SS**  trans-136.1141.6137-110.8-87.2000107.1
176A33.9Very low36.2Very low88 Ų88138 Ų13873%0.72781%0.807SS**  trans-92.9144.7-176.500000111.2T178A176-T178 PolarHBondContact O-N 3.18Å
177S31.4Very low35.5Very low122 Ų122136.9 Ų136.985%0.85381%0.81SS**  trans-65.9128.9167.2-54.90000109.9S179S177-S179 PolarHBondContact O-N 2.8Å
178T30.2Very low35.1Very low140 Ų140134.6 Ų134.686%0.85981%0.808SS**  trans-76.3103.3173.1490000109.9A176A176-T178 PolarHBondContact O-N 3.18Å
179S33.4Very low34.2Very low117 Ų117132.4 Ų132.482%0.81881%0.809SS**  trans-68143.9157.3-167.90000108.8S177S177-S179 PolarHBondContact O-N 2.8Å
180G35.2Very low34.1Very low62 Ų62139.3 Ų139.364%0.63981%0.812SS**  trans-87.2162.6174.100000112.7
181D34.3Very low34.4Very low177 Ų177137.1 Ų137.195%0.94781%0.808SS**  trans-151.7150.9157.4-97.3-45.6000107.1
182E35.7Very low33.7Very low156 Ų156134.3 Ų134.373%0.72980%0.803SS**  trans-124.2162.2-172.1-163.4165.8111.800112.2
183F30.9Very low33.8Very low185 Ų185134.4 Ų134.481%0.81181%0.81SS**  trans72.1108.8172.7-53.2-74.8000119.8
184A33.9Very low33.8Very low105 Ų105138.7 Ų138.787%0.86882%0.815SS**  -152.9151.9128.600000110
185R35.7Very low34.1Very low234 Ų234139.6 Ų139.688%0.88382%0.823SS**  trans-113.8163.6176.8-77.7-172.8177.9171.4-0111.8
186D30.3Very low33.9Very low139 Ų139131.4 Ų131.474%0.74381%0.809SS**  trans70.8106.1156-83.3-73.6000120.9
187N28.8Very low33.8Very low156 Ų156132.1 Ų132.183%0.83482%0.816SS**  64.6114.7114.2-16820.3000121.1
188G31.8Very low33.8Very low72 Ų72133 Ų13374%0.74282%0.815SS**  trans142.2128.7141.700000118.4
189G28.5Very low33.8Very low83 Ų83136.8 Ų136.886%0.85682%0.815SS**  trans100.1101147.500000119.8
190Y32.4Very low34.5Very low224 Ų224137 Ų13788%0.87881%0.814SS**  trans-88.5158.2159.1-107.9-65.2000110.2
191P52.4Low34.1Very low126 Ų126137.8 Ų137.882%0.81882%0.822SS**  -158.716581.141-20.5000119.7
192G31Very low34.1Very low74 Ų74135.4 Ų135.476%0.76381%0.814SS**  trans97.6140.5154.500000117
193A33.6Very low33.9Very low106 Ų106137.5 Ų137.588%0.87682%0.821SS**  cis-153166-1100000111.4
194K35.9Very low34.1Very low201 Ų201138.5 Ų138.587%0.87482%0.821SS**  trans-102.1167.5-178.4-88.9-178.9-179179.70110.9
195P44.3Very low34.2Very low131 Ų131140.3 Ų140.385%0.85181%0.814SS**  cis-138.9177.235.640.7-21.3000116.9
196G28.8Very low34Very low61 Ų61137.6 Ų137.663%0.62981%0.811SS**  cis160.7171.9-8.900000114.3
197A31.2Very low33.9Very low104 Ų104138.7 Ų138.786%0.8681%0.811SS**  trans65.6145.7175.700000116.2
198V32Very low34.7Very low139 Ų139138.7 Ų138.784%0.84281%0.811SS**  cis-135.815711.3173.60000110.4
199Y28.5Very low35Very low220 Ų220140.3 Ų140.386%0.86381%0.809SS**  trans-118.8171.8172.5-105.2-96.9000109
200P48.3Very low35.3Very low122 Ų122148.3 Ų148.379%0.79281%0.813SS**  cis-132.7-177.60.141.9-25.5000115.1
201G27.2Very low35.3Very low78 Ų78143.1 Ų143.180%0.80481%0.81SS**  trans-176.9138.616300000112
202T34.3Very low34.2Very low128 Ų128143 Ų14379%0.78581%0.812SS**  trans-149-179.8178-165.70000110.7
203F31.1Very low34.4Very low200 Ų200145.4 Ų145.488%0.87782%0.817SS**  trans86.6179-172.7-59.3-68.4000116.2
204Y35.3Very low34.2Very low205 Ų205143.3 Ų143.380%0.80481%0.806SS**  -141.2150.5-127.4-163-120.8000111.2
205M35.6Very low34Very low144 Ų144144.6 Ų144.671%0.70981%0.807SS**  trans74.2139.4169.2-72.5-67.9173.700121.3
206Q32Very low33.5Very low177 Ų177144.2 Ų144.283%0.82781%0.808SS**  trans88.1143.2141.4-161.5160.8-1400122
207E28.8Very low33.7Very low161 Ų161144.6 Ų144.675%0.75281%0.811SS**  trans100114.9154.6-149157.9-111.700119.3
208D44.8Very low33.8Very low156 Ų156148 Ų14883%0.83481%0.811SS**  trans-88.2128.1163.5-87.2-55.2000110.3
209P38.3Very low34.1Very low106 Ų106149.2 Ų149.269%0.68881%0.812SS**  trans-133.671.3167.233.8-15.3000113.5S211P209-S211 PolarHBondContact O-N 3.27Å
210W35.2Very low34.2Very low252 Ų252142 Ų14296%0.95581%0.806SS**  trans-78.590.7161.4-79.91.9000110.7
211S32Very low33.2Very low114 Ų114144.4 Ų144.480%0.79781%0.811SS**  trans-154.479.7173.6-83.70000114.6P209P209-S211 PolarHBondContact O-N 3.27Å
212S30.8Very low33.5Very low124 Ų124143.6 Ų143.687%0.86779%0.793SS**  trans-178.8156.4156.9-87.10000110.3
213S33.6Very low34.1Very low124 Ų124143.3 Ų143.387%0.86779%0.794SS**  cis-173.2166.8-25-172.20000107.5
214G29.6Very low34.3Very low63 Ų63141.1 Ų141.165%0.64979%0.786SS**  trans121.6160.216400000117.1
215Y33.3Very low34.4Very low227 Ų227140.1 Ų140.189%0.8979%0.793SS**  trans-136.9159.7-168.6-85.6-101.3000112.8
216S32.2Very low34Very low124 Ų124136.5 Ų136.587%0.86779%0.793SS**  trans71.2146.8159.1-620000118.9
217G33.5Very low34.3Very low68 Ų68136.6 Ų136.670%0.70179%0.793SS**  cis158.6-169.5-9.700000115.1
218M33.6Very low35.3Very low175 Ų175134.7 Ų134.786%0.86280%0.795SS**  trans86.6148.2167-53.4-158.971.700120.5
219L38.2Very low34.9Very low165 Ų165130 Ų13086%0.86478%0.783SS**  trans69.9139.5170.3-46-176.6000117.4
220G29.7Very low34.5Very low70 Ų70131 Ų13172%0.72279%0.793SS**  cis163.7116.3-10.600000116.1
221N28.1Very low34.5Very low171 Ų171128.5 Ų128.591%0.91479%0.789SS**  trans90150.2153.9-14741.4000120.6
222S32.5Very low35.3Very low61 Ų61129.1 Ų129.143%0.42779%0.79SS.*  trans-132.5171.4176.8162.40000108H224S222-H224 PolarHBondContact OG-ND1 3.33Å
223P47.3Very low35.5Very low122 Ų122127.4 Ų127.479%0.79278%0.783SS**  trans-130.7167.713637.8-30.2000112.8
224H37Very low35.5Very low154 Ų154129.9 Ų129.971%0.71379%0.785SS**  trans-153.1139.8-167.117.6-97.4000111.3S222S222-H224 PolarHBondContact OG-ND1 3.33Å
225I35.4Very low35.7Very low184 Ų184133.8 Ų133.894%0.94479%0.791SS**  trans-162137.9165.8-132.572.1000106.5
226G29.2Very low36.7Very low69 Ų69127.2 Ų127.271%0.71178%0.776SS**  cis-159.2167.7-11.400000110.8
227Q37.6Very low36.6Very low178 Ų178129.1 Ų129.183%0.83277%0.772SS**  trans-140.4149-179.5-82.4-74.6-18.200107.6
228P50Low36.4Very low122 Ų122132.3 Ų132.379%0.79277%0.773SS**  -145.6-178.472.139.1-19.9000114.4
229G35.3Very low36.3Very low58 Ų58133.9 Ų133.960%0.59877%0.769SS**  cis120.5123.7-7.500000114.9
230S30.1Very low35.9Very low126 Ų126132.1 Ų132.188%0.88176%0.758SS**  trans180140.2150.6-830000113.5
231F35.1Very low35.7Very low199 Ų199133.7 Ų133.787%0.87375%0.75SS**  trans-100.6-174.5159.5-73.3-96000109
232P48.5Very low35.8Very low128 Ų128135.4 Ų135.483%0.83175%0.745SS**  -140.5172.991.439.7-27.4000114.4
233A36.7Very low35.5Very low87 Ų87137.9 Ų137.972%0.71976%0.762SS**  trans-135.5163.4166.400000108.9
234I32.5Very low34.9Very low176 Ų176139.6 Ų139.690%0.90376%0.764SS**  trans156.7159.7154.7-83.1152.3000109.9
235N33.7Very low35.4Very low145 Ų145138 Ų13878%0.77577%0.768SS**  trans-143.5175.8-166.1-158.431.5000107.2
236P54.4Low35.1Very low90 Ų90132.3 Ų132.358%0.58475%0.754SS**  cis-125.3-159.7-3137.9-19.9000112.7
237Q30.9Very low35.3Very low164 Ų164133.5 Ų133.577%0.76675%0.751SS**  trans97.9133.7148.3-121.474-26.800122.4
238D28.9Very low35.1Very low135 Ų135132.9 Ų132.972%0.72275%0.748SS**  trans83130.8153.5-93.5-54.3000125.1
239R31.1Very low34.2Very low207 Ų207133.8 Ų133.878%0.78175%0.751SS**  trans63.1122.4150.8-73.9171.4164.6-100.51.6120
240M30.2Very low34.1Very low129 Ų129138.9 Ų138.964%0.63577%0.765SS**  -171.3156.159.2-77.3-63-84.200113.7
241N25.1Very low33.9Very low103 Ų103135.9 Ų135.955%0.55175%0.754SS**  trans45.8108.3145.8-6513.3000120.9
242Y29.7Very low33.6Very low206 Ų206135 Ų13581%0.80875%0.75SS**  105.2148.983.5-77.3-39.8000112.2
243S26.8Very low32.8Very low114 Ų114136.7 Ų136.780%0.79775%0.747SS**  cis-140.4158.634.7-57.30000116.3
244L35.3Very low32.4Very low157 Ų157138.5 Ų138.582%0.82275%0.754SS**  trans-121.6157.7159.1-130.177.1000108
245P46.6Very low32.5Very low122 Ų122134.6 Ų134.679%0.79275%0.748SS**  -134.1-178.578.725.1-2.8000111.9
246G29.9Very low33Very low64 Ų64133.1 Ų133.166%0.6675%0.747SS**  cis95.3142.222.700000111.2
247S33.6Very low31.8Very low93 Ų93134.6 Ų134.665%0.6575%0.754SS**  cis-165.6171.63.8460000112.8
248E32.6Very low31.8Very low165 Ų165130.9 Ų130.977%0.77174%0.743SS**  trans47.1137146.873.3-154.498.100124.7
249V32.1Very low31.9Very low142 Ų142133.9 Ų133.986%0.86175%0.745SS**  -175.5154.4116.5143.30000112.3
250N31.3Very low31.8Very low164 Ų164130.5 Ų130.588%0.87774%0.743SS**  trans-87.3150.7-178.3-116.5-7.8000113.9
251G27Very low31.9Very low64 Ų64133 Ų13366%0.6675%0.752SS**  119.3143125.900000122.3
252F29Very low32.3Very low181 Ų181133.7 Ų133.779%0.79476%0.76SS**  trans66.997.5143.1-73.4-105.8000121.5
253H32.1Very low32.2Very low162 Ų162128.3 Ų128.375%0.7575%0.753SS**  trans51.2127140.2-41.6-43.7000122
254S28.3Very low32.6Very low126 Ų126128.9 Ų128.988%0.88175%0.752SS**  -170.8134.5104-78.80000112.1
255A33.2Very low32.5Very low93 Ų93129.7 Ų129.777%0.76976%0.755SS**  trans-105.8167.716000000108.5
256P44Very low31.9Very low115 Ų115131.4 Ų131.475%0.74776%0.758SS**  -148.3171.896.240.4-26.2000115.2
257T31.1Very low32Very low121 Ų121130.9 Ų130.974%0.74275%0.752SS**  trans70.9126.3148-134.70000117.6
258T30.1Very low32.1Very low86 Ų86136.3 Ų136.353%0.52877%0.767SS.*  cis-158.6152.79.6-17.40000114.3
259Y30.9Very low32.6Very low198 Ų198131.4 Ų131.478%0.77676%0.762SS**  trans61.9108.1168.1-46-60.1000116.1
260N29.7Very low33Very low135 Ų135132.1 Ų132.172%0.72276%0.759SS**  54.6136.161.2-69.3-28.8000113.5
261H32.4Very low33.1Very low181 Ų181132.8 Ų132.884%0.83876%0.759SS**  cis-137.7149.638.5-13.4-88.3000115.8
262T32.3Very low33.5Very low118 Ų118133.8 Ų133.872%0.72476%0.761SS**  trans-97.7166.3156.359.60000109.6
263S28.9Very low33.7Very low93 Ų93131.7 Ų131.765%0.6576%0.763SS**  176.7123.784.9-74.80000108.7
264T34.7Very low33.9Very low127 Ų127136.1 Ų136.178%0.77977%0.773SS**  47.5128.7100.267.40000117.5
265I32.9Very low34.1Very low173 Ų173133.3 Ų133.389%0.88776%0.764SS**  -166.1-174.499.8-156.8146.9000111.1
266N33Very low34.2Very low158 Ų158135.9 Ų135.985%0.84577%0.77SS**  trans-138.4164-161.6177.248.6000111.6
267G33.2Very low33.8Very low53 Ų53136.8 Ų136.855%0.54677%0.774SS.*  trans104.993.7154.900000118.3
268E35.6Very low34Very low207 Ų207135.3 Ų135.397%0.96777%0.774SS**  31.1126.3116.4-170.3169.5-139.400120.7
269G43.7Very low34.4Very low63 Ų63136.7 Ų136.765%0.64979%0.787SS**  trans141.6107.8142.300000121
270I39.1Very low35.2Very low157 Ų157133.1 Ų133.181%0.80579%0.791SS**  trans46.7111.3137.1-2.2177.6000121.8
271M35.2Very low36.4Very low178 Ų178130.6 Ų130.688%0.87778%0.784SS**  162.9158.6105.8-90.5-166-81.500116
272A33.4Very low37.5Very low84 Ų84123.9 Ų123.969%0.69476%0.764SS**  trans70.781.3151.100000122.2
273T33.6Very low38.8Very low138 Ų138125 Ų12585%0.84777%0.765SS**  54.2146.2120.3570000124.1
274R36.2Very low40.2Very low255 Ų255127.9 Ų127.996%0.96277%0.768SS**  trans82108.7154.5-151.9-175-150.3-133.87.8116.3
275G33.5Very low41.2Very low67 Ų67126.1 Ų126.169%0.69175%0.753SS**  cis139.3117.1-9.700000113.8
276T34Very low42.7Very low147 Ų147120 Ų12090%0.90273%0.733SS**  trans-161.915216310000110.7
277T36.2Very low44.1Very low134 Ų134120 Ų12082%0.82273%0.725SS**  trans-75.316517744.40000112.6
278A35.9Very low45.3Very low89 Ų89120.3 Ų120.374%0.73672%0.723SS**  cis-176.5179.4-25.200000106.3
279S37.3Very low46.4Very low116 Ų116115.5 Ų115.581%0.81170%0.703SS**  cis-156.2147.30.6-156.70000110.1
280S48Very low46.9Very low122 Ų122115.7 Ų115.785%0.85370%0.699SS**  trans-169.391.8163.61750000109.6
281S54.6Low47.8Very low83 Ų83113 Ų11358%0.5869%0.694SS**  trans-154136.2175.6-167.10000111.1
282G56.4Low49.4Very low40 Ų40110.4 Ų110.441%0.41268%0.682SS.*SBendtrans-171.4-59.5-179.800000111.8E284 I285 G286G282-E284 VanDerWaalsContact C-N 3.32Å; G282-E284 PolarHBondContact O-N 3.08Å; G282-I285 PolarHBondContact O-N 3.16Å; G282-G286 PolarHBondContact O-N 3.19Å
283D59Low50.3Low141 Ų141115.1 Ų115.175%0.75468%0.683SS**Hα-helixtrans-63.1-32.2-173.3-64.7-17.3000114.4K287D283-K287 WeakPolarHBondContact O-CG 3.35Å; D283-K287 PolarHBondContact O-N 3.37Å
284E58Low50.7Low153 Ų153114.4 Ų114.472%0.71568%0.681SS**Hα-helixtrans-75.3-35.9179.2-64.3175.113000111.7G282 K287 A288G282-E284 VanDerWaalsContact C-N 3.32Å; G282-E284 PolarHBondContact O-N 3.08Å; E284-K287 PolarHBondContact O-N 2.87Å; E284-A288 PolarHBondContact O-N 2.85Å; E284-A288 VanDerWaalsContact O-N 3.13Å
285I55.6Low51.3Low91 Ų91106.9 Ų106.947%0.46767%0.668SS.*Hα-helixtrans-68.7-42.1179.4-38.4178.4000110.1G282 K287 A288 L289G282-I285 PolarHBondContact O-N 3.16Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.08Å; I285-A288 PolarHBondContact O-N 3.43Å; I285-L289 HydrophobicContact CG2-CD1 4.18Å; I285-L289 WeakPolarHBondContact O-CG 3.27Å; I285-L289 PolarHBondContact O-N 3.47Å
286G64.6Low51.9Low44 Ų44111 Ų11145%0.45467%0.674SS.*Hα-helixtrans-59.5-39.8176.600000113.1G282 A290G282-G286 PolarHBondContact O-N 3.19Å; G286-A290 WeakPolarHBondContact O-CB 3.27Å; G286-A290 PolarHBondContact O-N 3.01Å
287K63.5Low52.4Low157 Ų157112.2 Ų112.268%0.68367%0.669SS**Hα-helixtrans-71-37.2177.8-70177.4-177.2-179.40113D283 E284 I285 S291D283-K287 WeakPolarHBondContact O-CG 3.35Å; D283-K287 PolarHBondContact O-N 3.37Å; E284-K287 PolarHBondContact O-N 2.87Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.08Å; K287-S291 PolarHBondContact O-OG 3.29Å; K287-S291 VanDerWaalsContact O-OG 3.07Å
288A57Low52.2Low61 Ų61113.1 Ų113.150%0.50467%0.669SS.*Hα-helixtrans-63.6-45.6173.400000111.8E284 I285 S291E284-A288 PolarHBondContact O-N 2.85Å; E284-A288 VanDerWaalsContact O-N 3.13Å; I285-A288 PolarHBondContact O-N 3.43Å; A288-S291 WeakPolarHBondContact O-CB 3.37Å; A288-S291 PolarHBondContact O-N 2.82Å
289L59.1Low52.2Low106 Ų106113.9 Ų113.956%0.55567%0.669SS**Hα-helixtrans-68.4-35.1-179.7-68173000113.2I285 S291 I292I285-L289 HydrophobicContact CG2-CD1 4.18Å; I285-L289 WeakPolarHBondContact O-CG 3.27Å; I285-L289 PolarHBondContact O-N 3.47Å; L289-S291 PolarHBondContact O-N 2.8Å; L289-S291 VanDerWaalsContact O-N 3.15Å; L289-I292 HydrophobicContact CD2-CD1 4.14Å; L289-I292 PolarHBondContact O-N 2.99Å
290A55.4Low52.1Low66 Ų66115.9 Ų115.955%0.54567%0.67SS.*Hα-helixtrans-62.1-19.1174.900000113.7G286 I292G286-A290 WeakPolarHBondContact O-CB 3.27Å; G286-A290 PolarHBondContact O-N 3.01Å; A290-I292 VanDerWaalsContact C-N 3.34Å
291S57.4Low51.5Low102 Ų102115.9 Ų115.971%0.71366%0.661SS**THydrogen-bonded Turntrans-87.2-1.2-178.5-56.50000113.7K287 A288 L289K287-S291 PolarHBondContact O-OG 3.29Å; K287-S291 VanDerWaalsContact O-OG 3.07Å; A288-S291 WeakPolarHBondContact O-CB 3.37Å; A288-S291 PolarHBondContact O-N 2.82Å; L289-S291 PolarHBondContact O-N 2.8Å; L289-S291 VanDerWaalsContact O-N 3.15Å
292I68.3Low50.6Low122 Ų122121.9 Ų121.963%0.62668%0.677SS**SBendtrans-97.6-15.1-176.9-48.5-179.8000111.7L289 A290L289-I292 HydrophobicContact CD2-CD1 4.14Å; L289-I292 PolarHBondContact O-N 2.99Å; A290-I292 VanDerWaalsContact C-N 3.34Å
293Y53.8Low49.4Very low184 Ų184125.1 Ų125.172%0.72269%0.693SS**SBendtrans-111.7121178.1-75.8-86.9000111.5S295Y293-S295 PolarHBondContact O-N 3.29Å; Y293-S295 VanDerWaalsContact O-N 3.14Å; Y293-S295 PolarHBondContact O-OG 3.24Å
294P40.3Very low48.1Very low122 Ų122124.2 Ų124.279%0.79270%0.698SS**  trans-59.9116.4170.8-21.933.5000110.6
295S49.4Very low47Very low98 Ų98121.3 Ų121.369%0.68570%0.7SS**  trans-103.178.2-178.4-65.10000110.8Y293 H297Y293-S295 PolarHBondContact O-N 3.29Å; Y293-S295 VanDerWaalsContact O-N 3.14Å; Y293-S295 PolarHBondContact O-OG 3.24Å; S295-H297 VanDerWaalsContact C-N 3.29Å; S295-H297 PolarHBondContact O-N 2.87Å
296D46Very low46.3Very low154 Ų154123.1 Ų123.182%0.82472%0.718SS**  trans-69.181.6172.1-84.4-54000110.9
297H43.9Very low44.9Very low172 Ų172126.8 Ų126.880%0.79674%0.737SS**  trans-134.294.2177-84.673.5000112.8S295S295-H297 VanDerWaalsContact C-N 3.29Å; S295-H297 PolarHBondContact O-N 2.87Å
298N33.7Very low43.5Very low152 Ų152126.2 Ų126.281%0.81375%0.746SS**  trans19109.1144.9-169.314.4000118.1N300N298-N300 PolarHBondContact O-N 2.62Å
299S33.9Very low42.6Very low106 Ų106129.4 Ų129.474%0.74176%0.762SS**  trans-85.391.1-177.348.30000114.4N301S299-N301 PolarHBondContact O-N 2.78Å; S299-N301 VanDerWaalsContact O-N 3.14Å
300N35.3Very low41.2Very low158 Ų158128.2 Ų128.285%0.84578%0.775SS**  trans-70.5104159.4-100.8-26.6000109.7N298N298-N300 PolarHBondContact O-N 2.62Å
301N37.3Very low40.3Very low122 Ų122130.9 Ų130.965%0.65279%0.79SS**  trans-98.8105-166.4-175.114.4000113.4S299 S303S299-N301 PolarHBondContact O-N 2.78Å; S299-N301 VanDerWaalsContact O-N 3.14Å; N301-S303 PolarHBondContact OD1-OG 2.74Å
302F34.4Very low40Very low208 Ų208131.6 Ų131.691%0.91279%0.792SS**  trans-125.699.2160.7-82.8-74.1000110.5
303S32.2Very low38.3Very low108 Ų108134.5 Ų134.576%0.75580%0.803SS**PPolyproline II helixtrans-69.9131.5178.7-62.20000112.8N301N301-S303 PolarHBondContact OD1-OG 2.74Å
304S31.9Very low37.3Very low122 Ų122130 Ų13085%0.85380%0.803SS**PPolyproline II helixtrans-96.7144.8162.6-67.10000110.6
305A33.3Very low37.3Very low92 Ų92131.8 Ų131.876%0.7681%0.805SS**PPolyproline II helixtrans-74.7150.8-169.200000114.2
306P41.6Very low36.9Very low129 Ų129133.1 Ų133.184%0.83881%0.811SS**PPolyproline II helixtrans-74.9149.8177.931.8-35.8000112.6
307S34.4Very low36.3Very low122 Ų122129.1 Ų129.185%0.85381%0.806SS**  trans-109.9144.3175.9-65.90000112.3
308T35.5Very low35.7Very low144 Ų144125.7 Ų125.788%0.88381%0.807SS**  trans-91.9146.7-175.9-6.50000112.6
309P36.9Very low35.7Very low128 Ų128127.2 Ų127.283%0.83181%0.81SS**  trans-101.7153.3-177.337.4-34.1000115.1
310G30.5Very low35.9Very low81 Ų81127.8 Ų127.884%0.83581%0.814SS**  trans131.3111.5157.800000117.1
311S37.1Very low35.7Very low123 Ų123129.2 Ų129.286%0.8682%0.815SS**  trans-101.3-175.4170.4-350000110.7
312P49.7Very low35.3Very low116 Ų116135.5 Ų135.575%0.75383%0.83SS**  cis-137.3-17143.635.7-10.8000113.4
313Q33.8Very low35.4Very low184 Ų184134.7 Ų134.786%0.8683%0.829SS**  cis-144.4171.228-66.7-176.8-19.600114.2
314A32.6Very low35.6Very low88 Ų88140.4 Ų140.473%0.72783%0.834SS**  trans-89.6-166.417400000111.8
315I39.4Very low35.9Very low161 Ų161140.5 Ų140.583%0.82683%0.832SS**  cis-156.6-175.643.1-23.4-178.9000110.4
316P42.3Very low36Very low126 Ų126142.6 Ų142.682%0.81884%0.836SS**  -114.9173.9-97.740.1-25.2000117.9
317G32.9Very low35.8Very low69 Ų69142.8 Ų142.871%0.71183%0.834SS**  trans139.181.2159.200000114.2
318A31.9Very low36.1Very low100 Ų100142.9 Ų142.983%0.82683%0.832SS**  68.5119.582.300000114.7
319Q32.2Very low36.4Very low184 Ų184142.5 Ų142.586%0.8683%0.825SS**  cis-150.8138.7-2.2-106.9-176.7-30.400113.1
320S39Very low36.1Very low119 Ų119146.6 Ų146.683%0.83283%0.825SS**  trans21119.8152.5-51.10000123.6
321Q30.6Very low36.8Very low187 Ų187151.3 Ų151.387%0.87483%0.825SS**  -147.7151.4115.3-155.2167.68.700110.6
322W30.3Very low36.8Very low254 Ų254148.1 Ų148.196%0.96281%0.812SS**  trans-59.2134.4-162.8-60.890.7000116.6
323Q34.7Very low36.7Very low192 Ų192148.6 Ų148.690%0.89780%0.804SS**  trans-136.3156.5157.1-72-161-3.600111.6
324R36.6Very low37.4Very low228 Ų228143.9 Ų143.986%0.8679%0.79SS**PPolyproline II helixtrans-100130.1-170.9-177.8-173.6-65.7-120.12.1110.5
325P38.8Very low38.5Very low123 Ų123144.8 Ų144.880%0.79978%0.779SS**PPolyproline II helixtrans-61.2141.8174.2-24.134.8000113
326T35.7Very low39.2Very low137 Ų137141.3 Ų141.384%0.8477%0.765SS**PPolyproline II helixtrans-86.5132.6-177.449.50000112.6
327T36.4Very low39.7Very low132 Ų132141.7 Ų141.781%0.8176%0.759SS**PPolyproline II helixtrans-73.1156.2167.844.60000112
328P42.1Very low41.1Very low124 Ų124143.6 Ų143.681%0.80575%0.75SS**PPolyproline II helixtrans-71.7161.4-175.329.7-36.5000114
329N40.8Very low42.6Very low136 Ų136143.1 Ų143.173%0.72773%0.734SS**PPolyproline II helixtrans-59.4134.7177.4-178.736.2000112.7
330Y31.3Very low44.5Very low215 Ų215141.2 Ų141.284%0.84372%0.722SS**  trans-130.5117.1161.2-166-90000109.5G332Y330-G332 PolarHBondContact O-N 3.35Å
331E45.8Very low45.9Very low179 Ų179141.9 Ų141.984%0.83671%0.714SS**  trans-85.299.8-171-166172.1140.400110.1
332G36Very low48.2Very low57 Ų57136.6 Ų136.659%0.58869%0.689SS**  trans-163.848.5-163.600000117.8Y330Y330-G332 PolarHBondContact O-N 3.35Å
333Q47.2Very low50.7Low125 Ų125129 Ų12958%0.58467%0.667SS**  trans38.187.7158.5-95.2-68.80.500119.7H335Q333-H335 VanDerWaalsContact OE1-N 3.12Å
334P49.7Very low52.8Low86 Ų86127.7 Ų127.756%0.55865%0.654SS**  trans-93.6-12.5159.335.5-33.7000113.8T336 L337P334-T336 PolarHBondContact O-N 3.18Å; P334-L337 PolarHBondContact O-N 3.33Å
335H55.2Low55.3Low106 Ų106121.2 Ų121.249%0.49164%0.636SS.*Hα-helixtrans-72.8-26-161.2-58-63.9000114.6Q333 L337 Q338 N339Q333-H335 VanDerWaalsContact OE1-N 3.12Å; H335-L337 VanDerWaalsContact C-N 3.3Å; H335-L337 PolarHBondContact O-N 3.43Å; H335-Q338 PolarHBondContact O-N 2.96Å; H335-N339 PolarHBondContact O-N 3.14Å; H335-N339 PolarHBondContact O-ND2 2.89Å
336T54.3Low57.7Low88 Ų88121.2 Ų121.254%0.5463%0.625SS.*Hα-helixtrans-70.3-24.2-179.154.90000113.9P334P334-T336 PolarHBondContact O-N 3.18Å
337L53.1Low60.3Low134 Ų134121 Ų12170%0.70262%0.615SS**Hα-helixtrans-85.5-36174.1-67178.6000111.8P334 H335 M341P334-L337 PolarHBondContact O-N 3.33Å; H335-L337 VanDerWaalsContact C-N 3.3Å; H335-L337 PolarHBondContact O-N 3.43Å; L337-M341 PolarHBondContact O-N 3.46Å
338Q61.1Low62.6Low109 Ų109117.3 Ų117.351%0.50960%0.598SS.*Hα-helixtrans-64.3-49.5175.4-174.9178.6-6.200111.4H335 K340 M341 E342H335-Q338 PolarHBondContact O-N 2.96Å; Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 PolarHBondContact O-N 2.98Å; Q338-M341 WeakPolarHBondContact O-CA 3.22Å; Q338-M341 WeakPolarHBondContact O-CB 3.32Å; Q338-M341 PolarHBondContact O-N 3.16Å; Q338-E342 VanDerWaalsContact CG-OE2 3.25Å; Q338-E342 WeakPolarHBondContact CG-OE2 3.43Å; Q338-E342 PolarHBondContact NE2-OE2 3.01Å; Q338-E342 PolarHBondContact O-N 2.9Å
339N64.3Low64.8Low91 Ų91114.6 Ų114.649%0.48758%0.576SS.*Hα-helixtrans-54.6-44.4178.6-78.7-90000111.3H335 M341 E342 D343H335-N339 PolarHBondContact O-N 3.14Å; H335-N339 PolarHBondContact O-ND2 2.89Å; N339-M341 PolarHBondContact O-N 2.75Å; N339-M341 VanDerWaalsContact O-N 3.13Å; N339-E342 CarbonylContact O-C 3.51Å; N339-E342 WeakPolarHBondContact O-CB 3.38Å; N339-E342 PolarHBondContact O-N 3.29Å; N339-E342 VanDerWaalsContact O-N 3.11Å; N339-D343 WeakPolarHBondContact O-CB 3.39Å; N339-D343 PolarHBondContact O-N 3.33Å; N339-D343 VanDerWaalsContact O-OD2 3.07Å
340K71.4Confident66.9Low144 Ų144115 Ų11563%0.62657%0.573SS**Hα-helixtrans-63.4-18.7175.9-75.3-175.5172.6-173.90115.3Q338 R344Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 PolarHBondContact O-N 2.98Å; K340-R344 WeakPolarHBondContact O-CD 3.29Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å
341M69.8Low69.7Low133 Ų133108.1 Ų108.166%0.65555%0.554SS**Hα-helixtrans-85.6-44.7171.5-170.4175.7-66.800110.7L337 Q338 N339 R344 L345L337-M341 PolarHBondContact O-N 3.46Å; Q338-M341 WeakPolarHBondContact O-CA 3.22Å; Q338-M341 WeakPolarHBondContact O-CB 3.32Å; Q338-M341 PolarHBondContact O-N 3.16Å; N339-M341 PolarHBondContact O-N 2.75Å; N339-M341 VanDerWaalsContact O-N 3.13Å; M341-R344 PolarHBondContact O-N 3.34Å; M341-L345 WeakPolarHBondContact O-CB 3.35Å; M341-L345 PolarHBondContact O-N 3.01Å
342E78.4Confident71.6Confident76 Ų76105.7 Ų105.736%0.35555%0.546SS..Hα-helixtrans-57.3-54.2173.1-123.479.9-124.100111Q338 N339 R344 L345 E346Q338-E342 VanDerWaalsContact CG-OE2 3.25Å; Q338-E342 WeakPolarHBondContact CG-OE2 3.43Å; Q338-E342 PolarHBondContact NE2-OE2 3.01Å; Q338-E342 PolarHBondContact O-N 2.9Å; N339-E342 CarbonylContact O-C 3.51Å; N339-E342 WeakPolarHBondContact O-CB 3.38Å; N339-E342 PolarHBondContact O-N 3.29Å; N339-E342 VanDerWaalsContact O-N 3.11Å; E342-R344 VanDerWaalsContact C-N 3.29Å; E342-R344 PolarHBondContact O-N 3.31Å; E342-L345 CarbonylContact O-C 3.52Å; E342-L345 WeakPolarHBondContact O-CA 3.37Å; E342-L345 WeakPolarHBondContact O-CB 3.48Å; E342-L345 PolarHBondContact O-N 2.97Å; E342-E346 WeakPolarHBondContact O-CG 3.47Å; E342-E346 PolarHBondContact O-N 3.02Å
343D81.2Confident73.6Confident93 Ų93111 Ų11150%0.49755%0.548SS..Hα-helixtrans-48.5-48.1177.4-67.1-37.8000112N339 E346 E347N339-D343 WeakPolarHBondContact O-CB 3.39Å; N339-D343 PolarHBondContact O-N 3.33Å; N339-D343 VanDerWaalsContact O-OD2 3.07Å; D343-E346 PolarHBondContact O-N 3.48Å; D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.37Å
344R80.1Confident74.8Confident165 Ų165108.4 Ų108.462%0.62354%0.544SS*.Hα-helixtrans-73.1-31.8-179.7-75.3177.658.4-92.4-4112.9K340 M341 E342 A348K340-R344 WeakPolarHBondContact O-CD 3.29Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å; M341-R344 PolarHBondContact O-N 3.34Å; E342-R344 VanDerWaalsContact C-N 3.29Å; E342-R344 PolarHBondContact O-N 3.31Å; R344-A348 VanDerWaalsContact O-CB 3.27Å; R344-A348 WeakPolarHBondContact O-CB 3.43Å; R344-A348 PolarHBondContact O-N 3.45Å
345L89.6Confident75.6Confident93 Ų93111.6 Ų111.649%0.48755%0.551SS.*Hα-helixtrans-69.8-42174.4-177.366.5000109.7M341 E342 A348 I349M341-L345 WeakPolarHBondContact O-CB 3.35Å; M341-L345 PolarHBondContact O-N 3.01Å; E342-L345 CarbonylContact O-C 3.52Å; E342-L345 WeakPolarHBondContact O-CA 3.37Å; E342-L345 WeakPolarHBondContact O-CB 3.48Å; E342-L345 PolarHBondContact O-N 2.97Å; L345-A348 PolarHBondContact O-N 3.45Å; L345-I349 HydrophobicContact CD1-CD1 4.31Å; L345-I349 HydrophobicContact CG-CD1 3.94Å; L345-I349 VanDerWaalsContact O-CB 3.28Å; L345-I349 WeakPolarHBondContact O-CB 3.42Å; L345-I349 WeakPolarHBondContact O-CD1 3.46Å; L345-I349 WeakPolarHBondContact O-CG1 3.3Å; L345-I349 PolarHBondContact O-N 3.17Å
346E88.9Confident76.1Confident122 Ų122110.5 Ų110.557%0.5756%0.56SS**Hα-helixtrans-64.7-44.1174.9-71.3-174.9-164.400111.9E342 D343 I349 H350E342-E346 WeakPolarHBondContact O-CG 3.47Å; E342-E346 PolarHBondContact O-N 3.02Å; D343-E346 PolarHBondContact O-N 3.48Å; E346-I349 CarbonylContact O-C 3.58Å; E346-I349 PolarHBondContact O-N 3.29Å; E346-H350 WeakPolarHBondContact O-CB 3.44Å; E346-H350 PolarHBondContact O-N 3.17Å
347E89.4Confident76.4Confident132 Ų132112.3 Ų112.362%0.61757%0.571SS**Hα-helixtrans-58.7-49.9172.1-176.5180-158.500111.4D343 I349 H350 V351D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.37Å; E347-I349 VanDerWaalsContact C-N 3.3Å; E347-I349 PolarHBondContact O-N 3.46Å; E347-H350 WeakPolarHBondContact O-CA 3.28Å; E347-H350 WeakPolarHBondContact O-CB 3.37Å; E347-H350 PolarHBondContact O-N 2.94Å; E347-V351 WeakPolarHBondContact O-CG2 3.36Å; E347-V351 PolarHBondContact O-N 2.89Å
348A86.1Confident76.2Confident56 Ų56108.3 Ų108.346%0.46356%0.562SS.*Hα-helixtrans-60.6-38.7177.300000112.2R344 L345 L352R344-A348 VanDerWaalsContact O-CB 3.27Å; R344-A348 WeakPolarHBondContact O-CB 3.43Å; R344-A348 PolarHBondContact O-N 3.45Å; L345-A348 PolarHBondContact O-N 3.45Å; A348-L352 VanDerWaalsContact O-CB 3.31Å; A348-L352 WeakPolarHBondContact O-CB 3.47Å; A348-L352 PolarHBondContact O-N 3.27Å
349I86.7Confident75.5Confident66 Ų66112.5 Ų112.534%0.33858%0.581SS.*Hα-helixtrans-66.6-35.9173.4-76.2168.1000111.3L345 E346 E347 L352 R353L345-I349 HydrophobicContact CD1-CD1 4.31Å; L345-I349 HydrophobicContact CG-CD1 3.94Å; L345-I349 VanDerWaalsContact O-CB 3.28Å; L345-I349 WeakPolarHBondContact O-CB 3.42Å; L345-I349 WeakPolarHBondContact O-CD1 3.46Å; L345-I349 WeakPolarHBondContact O-CG1 3.3Å; L345-I349 PolarHBondContact O-N 3.17Å; E346-I349 CarbonylContact O-C 3.58Å; E346-I349 PolarHBondContact O-N 3.29Å; E347-I349 VanDerWaalsContact C-N 3.3Å; E347-I349 PolarHBondContact O-N 3.46Å; I349-L352 PolarHBondContact O-N 2.85Å; I349-R353 VanDerWaalsContact CG2-NE 3.26Å; I349-R353 WeakPolarHBondContact O-CB 3.29Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.42Å; I349-R353 PolarHBondContact O-N 3.45Å
350H86.1Confident74.2Confident144 Ų144113.8 Ų113.867%0.66760%0.597SS**Hα-helixtrans-67.7-44.9177.2-140.3114.7000111.3E346 E347 R353 S354E346-H350 WeakPolarHBondContact O-CB 3.44Å; E346-H350 PolarHBondContact O-N 3.17Å; E347-H350 WeakPolarHBondContact O-CA 3.28Å; E347-H350 WeakPolarHBondContact O-CB 3.37Å; E347-H350 PolarHBondContact O-N 2.94Å; H350-R353 PolarHBondContact O-N 3.31Å; H350-S354 PolarHBondContact O-N 2.99Å; H350-S354 PolarHBondContact O-OG 2.9Å
351V90.2Very high72.8Confident72 Ų72112.4 Ų112.444%0.43660%0.603SS.*Hα-helixtrans-61.9-44.3173.1172.30000110.9E347 R353 S354 H355E347-V351 WeakPolarHBondContact O-CG2 3.36Å; E347-V351 PolarHBondContact O-N 2.89Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 2.9Å; V351-S354 PolarHBondContact O-N 3.42Å; V351-S354 PolarHBondContact O-OG 3.36Å; V351-H355 PolarHBondContact O-CD2 3.3Å; V351-H355 VanDerWaalsContact O-CD2 3.23Å; V351-H355 PolarHBondContact O-N 2.89Å
352L85.5Confident71.4Confident127 Ų127110.4 Ų110.467%0.66561%0.608SS**Hα-helixtrans-64.6-37.6178.5-157.675000111.8A348 I349 A356A348-L352 VanDerWaalsContact O-CB 3.31Å; A348-L352 WeakPolarHBondContact O-CB 3.47Å; A348-L352 PolarHBondContact O-N 3.27Å; I349-L352 PolarHBondContact O-N 2.85Å; L352-A356 WeakPolarHBondContact O-CB 3.45Å; L352-A356 PolarHBondContact O-N 3.47Å
353R77.1Confident69.5Low168 Ų168114.4 Ų114.463%0.63463%0.631SS**Hα-helixtrans-69-41.7173.7-72.4177.7-149.4-103.15.1112.6I349 H350 V351 H355 A356 V357I349-R353 VanDerWaalsContact CG2-NE 3.26Å; I349-R353 WeakPolarHBondContact O-CB 3.29Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.42Å; I349-R353 PolarHBondContact O-N 3.45Å; H350-R353 PolarHBondContact O-N 3.31Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 2.9Å; R353-H355 VanDerWaalsContact C-N 3.32Å; R353-H355 PolarHBondContact O-N 3.04Å; R353-A356 PolarHBondContact O-N 2.81Å; R353-V357 WeakPolarHBondContact O-CB 3.36Å; R353-V357 WeakPolarHBondContact O-CG2 3.37Å; R353-V357 PolarHBondContact O-N 2.88Å
354S72.4Confident67.3Low71 Ų71118.3 Ų118.350%0.49765%0.646SS.*Hα-helixtrans-66.2-34.9179.966.80000112.2H350 V351H350-S354 PolarHBondContact O-N 2.99Å; H350-S354 PolarHBondContact O-OG 2.9Å; V351-S354 PolarHBondContact O-N 3.42Å; V351-S354 PolarHBondContact O-OG 3.36Å
355H65.9Low65.1Low154 Ų154114 Ų11471%0.71365%0.652SS**Hα-helixtrans-76.2-33.8171.3-73.3-66.5000113.8V351 R353V351-H355 PolarHBondContact O-CD2 3.3Å; V351-H355 VanDerWaalsContact O-CD2 3.23Å; V351-H355 PolarHBondContact O-N 2.89Å; R353-H355 VanDerWaalsContact C-N 3.32Å; R353-H355 PolarHBondContact O-N 3.04Å
356A65.9Low62.4Low83 Ų83114.7 Ų114.769%0.68667%0.672SS**Hα-helixtrans-77.6-21.3178.200000114.3L352 R353L352-A356 WeakPolarHBondContact O-CB 3.45Å; L352-A356 PolarHBondContact O-N 3.47Å; R353-A356 PolarHBondContact O-N 2.81Å
357V61Low60.1Low126 Ų126116.9 Ų116.976%0.76468%0.682SS**THydrogen-bonded Turntrans-109.525.1179.7-168.50000110.7R353R353-V357 WeakPolarHBondContact O-CB 3.36Å; R353-V357 WeakPolarHBondContact O-CG2 3.37Å; R353-V357 PolarHBondContact O-N 2.88Å
358G49.2Very low57.6Low49 Ų49116.2 Ų116.251%0.50569%0.691SS.*  trans-82.9113.1177.400000113.6
359Q46.2Very low55.4Low197 Ų197119.6 Ų119.692%0.92170%0.702SS**  trans64.990.3157.2-58.9-178.8-2.200118.5
360S36.1Very low53.4Low118 Ų118124.8 Ų124.883%0.82573%0.727SS**  trans-126.5125.8135.8-177.20000105.9
361P43.1Very low51.1Low116 Ų116127 Ų12775%0.75374%0.737SS**  -144150.386.938.7-23.2000116.4
362A40.3Very low48.7Very low90 Ų90129 Ų12974%0.74475%0.754SS**  trans44.5140.3140.600000123.5
363L38.3Very low46.6Very low160 Ų160131.1 Ų131.184%0.83877%0.765SS**  trans95149.8155.8-129.677.7000119.2
364E34.4Very low44.6Very low176 Ų176130.9 Ų130.982%0.82278%0.776SS**  trans-63.8158.6-160.3-63.1152.493.900117.5
365G34.1Very low42.6Very low73 Ų73133.5 Ų133.575%0.75379%0.794SS**  12195.9121.100000119.5
366A32.7Very low41.2Very low108 Ų108131.6 Ų131.689%0.89380%0.798SS**  trans64.8148.7144.400000122.1
367H40.4Very low39.6Very low169 Ų169133.8 Ų133.878%0.78280%0.802SS**  trans-59.3147.6163.9-94.1-104.6000112.9D369H367-D369 IonicContact ND1-OD2 3.26Å
368S37.7Very low38.3Very low117 Ų117136.1 Ų136.182%0.81880%0.804SS**  -163.2122.912759.70000112
369D39.6Very low37.6Very low127 Ų127140.3 Ų140.368%0.67982%0.816SS**  trans-80.2172.7174-62.1-95000113.3H367H367-D369 IonicContact ND1-OD2 3.26Å
370M45Very low36.8Very low176 Ų176134.5 Ų134.587%0.86781%0.809SS**  trans47.198.4154.7-63.6-141.9-57.500119.4
371H37.8Very low36.4Very low190 Ų190132.4 Ų132.488%0.8881%0.806SS**  trans-142.7143.7147.7-97.7-81.6000112.9
372S39.1Very low35.9Very low113 Ų113135.7 Ų135.779%0.7982%0.816SS**  trans73.647.2160.2-55.20000119.9L374S372-L374 PolarHBondContact O-N 2.8Å
373L41.7Very low35.4Very low173 Ų173135.4 Ų135.491%0.90682%0.821SS**  trans-76.992.5135.6-77.7175.5000108.9
374L35.4Very low35Very low163 Ų163131.2 Ų131.285%0.85382%0.817SS**  trans172.1103.2146.2-117.668.3000112S372S372-L374 PolarHBondContact O-N 2.8Å
375S30.7Very low35Very low126 Ų126130.8 Ų130.888%0.88182%0.82SS**  trans162.5141.5154.1-80.40000109.6
376S35.9Very low34.8Very low113 Ų113131.5 Ų131.579%0.7981%0.813SS**  cis-157166-21.3-1680000109
377V32.2Very low35.5Very low130 Ų130132.2 Ų132.279%0.78881%0.808SS**  trans-57.1133.1172.2166.40000111.6
378H33.3Very low35Very low174 Ų174128.8 Ų128.881%0.80681%0.81SS**  -177.8164.3115-162-107.9000113
379N34.6Very low34.7Very low138 Ų138130.2 Ų130.274%0.73880%0.801SS**  trans-89.2139.4176.7-174.322.9000111.9
380G30.2Very low34.8Very low75 Ų75129.7 Ų129.777%0.77381%0.805SS**  trans43.4134.2159.100000122.5
381G28Very low34.1Very low74 Ų74127.2 Ų127.276%0.76380%0.795SS**  trans136.392.7148.800000119
382L32.6Very low33.9Very low184 Ų184122.3 Ų122.396%0.96379%0.788SS**  trans45.7116.2139.8-73.3160.8000122
383G30.8Very low33.3Very low84 Ų84122.7 Ų122.787%0.86679%0.79SS**  118.1111.9121.200000118
384G29.8Very low33.3Very low72 Ų72123 Ų12374%0.74279%0.792SS**  trans-179.843.5178.500000119.5
385L34.5Very low33Very low168 Ų168120.2 Ų120.288%0.8879%0.792SS**  trans48.6114158.4-47.4179.4000119.1
386S29.6Very low33.1Very low88 Ų88121.9 Ų121.962%0.61579%0.79SS**  57.915081.4-105.30000116.2
387P47.2Very low32.8Very low122 Ų122121.2 Ų121.279%0.79279%0.785SS**  cis-113.3169.114.543.1-32.2000113.3
388A30Very low32.5Very low98 Ų98121.2 Ų121.281%0.8178%0.781SS**  -145.3163.256.500000116.3
389F31.3Very low32.5Very low146 Ų146123.3 Ų123.364%0.6478%0.782SS**  trans-126.7177-169.8-90.6-79000109.7N391F389-N391 VanDerWaalsContact CD1-OD1 3.27Å; F389-N391 WeakPolarHBondContact CD1-OD1 3.43Å; F389-N391 VanDerWaalsContact CE1-OD1 3.32Å; F389-N391 WeakPolarHBondContact CE1-OD1 3.47Å
390P42Very low32.6Very low117 Ų117125.3 Ų125.376%0.7679%0.787SS**  cis-118.9142.919.110.815.8000115.9
391N29.5Very low33.3Very low124 Ų124128 Ų12866%0.66379%0.791SS**  65.6114.288.3-73.9-12.9000115F389F389-N391 VanDerWaalsContact CD1-OD1 3.27Å; F389-N391 WeakPolarHBondContact CD1-OD1 3.43Å; F389-N391 VanDerWaalsContact CE1-OD1 3.32Å; F389-N391 WeakPolarHBondContact CE1-OD1 3.47Å
392A32.9Very low33.5Very low87 Ų87128.8 Ų128.872%0.71979%0.789SS**  87143.568.700000112.3
393S27.6Very low33.8Very low121 Ų121128.4 Ų128.485%0.84679%0.788SS**  cis-156.9-179.143.2-54.40000114.2
394L41.6Very low33.8Very low179 Ų179128.2 Ų128.294%0.93779%0.786SS**  trans-87.4155.7178-62.8168.4000113.9
395A29.5Very low33.8Very low104 Ų104128.3 Ų128.386%0.8679%0.787SS**  trans-152.7170.3161.500000112.1
396L32.6Very low33.4Very low162 Ų162130.2 Ų130.285%0.84879%0.788SS**  trans-133.7167.3-167.6-161.574.6000111.6
397S28.8Very low33.4Very low98 Ų98133.3 Ų133.369%0.68579%0.792SS**  trans83.2116.1152.5-71.40000122.5
398N27Very low32.8Very low131 Ų131136.6 Ų136.670%0.70180%0.797SS**  63.2117.5117.1-117.24.4000122.9
399R32.2Very low32.8Very low217 Ų217138.7 Ų138.782%0.81979%0.79SS**  trans80.8132.1138.1-69171.1-174.1-100.8-1123.5
400H36.2Very low34Very low181 Ų181137.2 Ų137.284%0.83880%0.795SS**  trans-26.1160.3146.6-69-71.3000117.4
401P45.7Very low33.9Very low132 Ų132137.4 Ų137.486%0.85779%0.794SS**  cis-144.9-150.842.643.6-22.2000116.6
402A33.2Very low33.8Very low89 Ų89135 Ų13574%0.73680%0.799SS**  trans-127.7161.8-165.200000114.6
403L37.6Very low34.1Very low177 Ų177139 Ų13993%0.92781%0.807SS**  trans-173.2142.8143.3-117.968.5000105.6
404G31.2Very low35.4Very low80 Ų80138.8 Ų138.883%0.82580%0.803SS**  94.513261.800000109.7
405G29.3Very low35.9Very low74 Ų74135.2 Ų135.276%0.76379%0.791SS**  cis153.3146.7-2.400000110.7
406K27.6Very low36.2Very low208 Ų208135.5 Ų135.590%0.90479%0.786SS**  trans172.9167.1165.5-101.2-169.5179.1-174.20109.9
407H29.7Very low36.1Very low153 Ų153132.5 Ų132.571%0.70878%0.779SS**  cis171.6121.6-42.2161.8-77.6000109.1
408E32.5Very low36.2Very low191 Ų191132.9 Ų132.989%0.89378%0.777SS**  trans-164.7148.4139.245.6-158.2139.500112.7
409E30.9Very low36.6Very low141 Ų141133.6 Ų133.666%0.65978%0.78SS**  trans-154.2145.6-173.2-170.6-129.9132.900108.1T411E409-T411 VanDerWaalsContact OE1-CA 3.24Å; E409-T411 WeakPolarHBondContact OE1-CA 3.33Å; E409-T411 WeakPolarHBondContact OE1-CG2 3.45Å
410P56.3Low36.7Very low115 Ų115129.7 Ų129.775%0.74778%0.775SS**  -150.8170.8121.738.4-23.7000114.2
411T40.4Very low36.3Very low121 Ų121129.8 Ų129.874%0.74278%0.775SS**  cis-165.7137.4-37.539.60000106.1E409E409-T411 VanDerWaalsContact OE1-CA 3.24Å; E409-T411 WeakPolarHBondContact OE1-CA 3.33Å; E409-T411 WeakPolarHBondContact OE1-CG2 3.45Å
412G26.6Very low35.4Very low75 Ų75127.1 Ų127.177%0.77377%0.772SS**  trans-178.466.4-179.300000119.5
413L39.6Very low35.3Very low170 Ų170130.7 Ų130.789%0.8977%0.773SS**  trans-139.5174.6163.6-72.4-178.6000107.2
414P54.8Low34.9Very low116 Ų116131 Ų13175%0.75377%0.769SS**  cis-144.6-139.324.343.7-19.2000111.8
415P53.3Low34.9Very low104 Ų104130.9 Ų130.968%0.67576%0.761SS**  cis-138.2165.7-18.736.9-17.9000118.5
416S35.1Very low34.8Very low110 Ų110134.6 Ų134.677%0.76977%0.769SS**  trans65.3165.1144.2-68.10000119.8
417S30.4Very low34.8Very low99 Ų99128 Ų12869%0.69276%0.76SS**  cis-163.6168.85.1-125.40000110.7
418T31.4Very low35.7Very low106 Ų106126.9 Ų126.965%0.6577%0.766SS**  cis-171.7136.9-34.426.30000111.6
419L34.8Very low35.8Very low146 Ų146123.7 Ų123.776%0.76476%0.76SS**  trans71.4132.4137-65.8171.3000125.5
420L34.2Very low36.7Very low135 Ų135122.8 Ų122.871%0.70777%0.766SS**  trans80132.5134.4-66167.2000125.5
421H27.9Very low35.5Very low183 Ų183122.3 Ų122.385%0.84777%0.766SS**  trans19139141.4-68.886.1000123.4
422G27.5Very low35.3Very low76 Ų76122.7 Ų122.778%0.78477%0.767SS**  trans-171.5151.2159.800000114
423H31.4Very low35.5Very low165 Ų165122.5 Ų122.576%0.76477%0.765SS**  trans-117.9166.7179-84.4-115.9000111.7
424H29.2Very low35.4Very low183 Ų183121.6 Ų121.685%0.84776%0.757SS**  trans61.9157.1151.164.5-118.9000119.8
425A29.3Very low35Very low78 Ų78120.3 Ų120.365%0.64575%0.748SS**  cis-169.3171.6-27.600000109.9
426T29Very low34Very low151 Ų151122.4 Ų122.493%0.92675%0.749SS**  trans67154.7176.471.70000115.4
427G25.8Very low33.8Very low70 Ų70120.2 Ų120.272%0.72274%0.744SS**  cis134152.17.100000109.6
428P50.2Low33.9Very low129 Ų129124.1 Ų124.184%0.83875%0.749SS**  cis-128.5-169.310.943.7-27.7000115.1
429T33.6Very low34Very low124 Ų124125.1 Ų125.176%0.76176%0.755SS**  trans-103.8-178.1169.765.50000110.6
430P51.1Low33.7Very low123 Ų123122.7 Ų122.780%0.79975%0.75SS**  -129.1173.962.438.4-21.6000113
431S30.9Very low33.7Very low105 Ų105123.8 Ų123.873%0.73476%0.756SS**  cis-139.3-110.12760.90000117.3
432V35.2Very low34.6Very low128 Ų128120.6 Ų120.678%0.77675%0.751SS**  trans-150.3145.4-145.2170.10000108.7Q434V432-Q434 HydrophobicContact CG1-CG 4.08Å
433G32Very low34.6Very low71 Ų71121.2 Ų121.273%0.73276%0.758SS**  cis-169.1-141.35.200000108.5
434Q36Very low34.5Very low152 Ų152117.2 Ų117.271%0.7176%0.761SS**  cis177.7146.4-21-105.7-87.1-64.700105.1V432 E436V432-Q434 HydrophobicContact CG1-CG 4.08Å; Q434-E436 PolarHBondContact NE2-OE1 2.97Å
435P47.5Very low34.6Very low88 Ų88116.9 Ų116.957%0.57177%0.765SS**  cis-127.7167.9-20.926.8-5.7000115.1
436E31.8Very low34.6Very low149 Ų149117.1 Ų117.170%0.69677%0.767SS**  trans30.3143.4146.2-63.2125.5-119.900122.4Q434 F438Q434-E436 PolarHBondContact NE2-OE1 2.97Å; E436-F438 HydrophobicContact CB-CE2 4.28Å; E436-F438 HydrophobicContact CG-CE2 3.91Å; E436-F438 HydrophobicContact CG-CZ 3.94Å
437G31.6Very low34.7Very low64 Ų64121.7 Ų121.766%0.6677%0.767SS**  cis133.814910.100000110.1
438F32.1Very low34.9Very low181 Ų181122.8 Ų122.879%0.79476%0.764SS**  cis-145.8-153.91.1-67.3-81.1000107.9E436E436-F438 HydrophobicContact CB-CE2 4.28Å; E436-F438 HydrophobicContact CG-CE2 3.91Å; E436-F438 HydrophobicContact CG-CZ 3.94Å
439T32.6Very low33.8Very low127 Ų127121.4 Ų121.478%0.77976%0.763SS**  cis-162.2168.111.9-240000111.3
440S28.8Very low33.7Very low95 Ų95123.2 Ų123.266%0.66476%0.763SS**  trans16.2115.2157.5-58.70000121.9
441L34.8Very low32.8Very low158 Ų158122.6 Ų122.683%0.82776%0.761SS**  70.6152.169.5-65.4169.3000115.6
442P45.2Very low32.9Very low115 Ų115123.4 Ų123.475%0.74777%0.767SS**  cis-145.3143-47.338.4-20.3000116.3
443G28.1Very low32.6Very low90 Ų90123.2 Ų123.293%0.92877%0.771SS**  trans69.9158150.900000120
444G28.9Very low32.4Very low81 Ų81125.2 Ų125.284%0.83577%0.774SS**  trans14888.1171.600000117.1
445L32.3Very low32.4Very low175 Ų175123 Ų12392%0.91678%0.775SS**  trans-11.6142.7160.2-71.9146.6000121.5
446A29.1Very low31.8Very low83 Ų83126.6 Ų126.669%0.68679%0.79SS**  trans82.1111.2136.500000123
447R31.2Very low32.1Very low247 Ų247126.7 Ų126.793%0.93279%0.793SS**  55.3148.3125.4-55.7-178.985.7175.76.3121.8
448S29.7Very low32.6Very low94 Ų94131.8 Ų131.866%0.65780%0.798SS**  trans88.3126161.7-143.30000116.9H450S448-H450 PolarHBondContact OG-CE1 3.2Å; S448-H450 PolarHBondContact OG-NE2 2.73Å
449A28.4Very low33.1Very low100 Ų100134.1 Ų134.183%0.82680%0.801SS**  trans-141.5133.3170.200000108.3
450H30.4Very low33.3Very low162 Ų162136.3 Ų136.375%0.7580%0.802SS**  trans-142.1160.2177.6-23.5-114.2000109.2S448S448-H450 PolarHBondContact OG-CE1 3.2Å; S448-H450 PolarHBondContact OG-NE2 2.73Å
451S31.7Very low33.6Very low110 Ų110139.2 Ų139.277%0.76981%0.811SS**  trans-29.8129.9175.8-72.60000116.5
452S34.3Very low34.2Very low122 Ų122138.6 Ų138.685%0.85380%0.801SS**  77.6123.974.6-53.70000113.4
453S27.4Very low34.3Very low124 Ų124140.9 Ų140.987%0.86780%0.802SS**  trans-110.5141.5177.1-167.50000110.9
454S29.2Very low35.1Very low112 Ų112143.4 Ų143.478%0.78379%0.794SS**  trans-102.2174.6166.6-164.60000110.4
455S35.9Very low35.8Very low106 Ų106147 Ų14774%0.74179%0.794SS**  trans-133.2141.8-179.1-600000112
456D34.5Very low36.5Very low163 Ų163146.9 Ų146.987%0.87279%0.789SS**  trans-66.7139.8-175.5-49.1-110.2000114.4
457I37.4Very low36.6Very low151 Ų151149.9 Ų149.977%0.77479%0.794SS**  trans-135.5119.8156.1-61-176.3000109.6
458K41.6Very low36.8Very low172 Ų172143.9 Ų143.975%0.74879%0.789SS**  trans-78.5141.4174.4176.6-173.5173.9-167.30110.9
459R43Very low37.3Very low230 Ų230144.2 Ų144.287%0.86879%0.792SS**  trans-134.2158.2158.9-67.5-169.3-176.2178.93.6109.8
460E38.5Very low37.7Very low172 Ų172146.6 Ų146.680%0.80479%0.789SS**  trans-94.6152.9-175.1-70.5169134.900111.1
461D34.3Very low37.9Very low157 Ų157143.6 Ų143.684%0.8479%0.792SS**  trans-90.6145.2178.7-174.119.3000110.1
462K46.3Very low38Very low145 Ų145144.3 Ų144.363%0.6379%0.787SS**  trans-152112.1163171.3155.8161.443.50109.6D464K462-D464 WeakPolarHBondContact CE-OD2 3.34Å; K462-D464 IonicContact NZ-OD1 3.21Å; K462-D464 PolarHBondContact NZ-OD1 3.11Å; K462-D464 IonicContact NZ-OD2 3.13Å; K462-D464 PolarHBondContact NZ-OD2 3.13Å
463E48.8Very low38.1Very low163 Ų163146.9 Ų146.976%0.76278%0.783SS**  trans-54.5141.9163.166.2-144.3145.400113
464D43.8Very low38.6Very low142 Ų142145.6 Ų145.676%0.75977%0.774SS**  trans-151.3142.4148.3-78-50000105.6K462K462-D464 WeakPolarHBondContact CE-OD2 3.34Å; K462-D464 IonicContact NZ-OD1 3.21Å; K462-D464 PolarHBondContact NZ-OD1 3.11Å; K462-D464 IonicContact NZ-OD2 3.13Å; K462-D464 PolarHBondContact NZ-OD2 3.13Å
465D45.1Very low39.1Very low157 Ų157149 Ų14984%0.8478%0.778SS**  trans-128.8174-155.6-161.52.2000113
466E46.7Very low39.3Very low173 Ų173153.3 Ų153.381%0.80879%0.786SS**  trans77.6149.8164.3-56.3-162.3124.400121.1
467N31.3Very low39.9Very low146 Ų146152 Ų15278%0.78178%0.775SS**  trans82.491.3149.9-16335.9000121
468S33.8Very low40.4Very low121 Ų121152.7 Ų152.785%0.84677%0.772SS**  -151119.9120.547.50000112.4
469S40.8Very low40.6Very low101 Ų101153.8 Ų153.871%0.70678%0.777SS**  trans-153.5-174.5166.5720000109.8
470I36.1Very low40.5Very low149 Ų149147.8 Ų147.876%0.76476%0.762SS**  trans58.1102.3174.6-172.9166.2000119.3D472I470-D472 HydrophobicContact CG1-CB 4.44Å
471A35.5Very low40.9Very low99 Ų99146.1 Ų146.182%0.81877%0.77SS**  -16998.5129.300000107.6
472D34.1Very low41.5Very low125 Ų125146.6 Ų146.667%0.66876%0.764SS**  81.2103.256.1-174.834000115.3I470I470-D472 HydrophobicContact CG1-CB 4.44Å
473K36.5Very low41.6Very low177 Ų177142.5 Ų142.577%0.7776%0.757SS**  trans170.9108.6137.9-94.9153.9-168.6169.40111.8
474S38Very low41.5Very low96 Ų96138.1 Ų138.167%0.67175%0.749SS**  7398.694.974.60000113
475E39.3Very low41.7Very low185 Ų185142 Ų14286%0.86475%0.753SS**  75107.383.3-171.3-173.8-159.300113.5
476E40.1Very low41.7Very low195 Ų195140.1 Ų140.191%0.91174%0.743SS**  trans-142.9133.9147.4-173.6170.8-160.200108.6
477E46.3Very low42Very low136 Ų136140 Ų14064%0.63674%0.735SS**  trans-111.3152.6-175.1-152.5-152.2168.400111.7
478K48.3Very low42.9Very low166 Ų166137.6 Ų137.672%0.72273%0.726SS**  trans71.494.7168-48.7179-179.673.50117.7
479K47.1Very low43.8Very low194 Ų194141.4 Ų141.484%0.84372%0.722SS**  -163.1156.4119.7-120.8-179.7165.5-177.40118.1
480D39.8Very low44.4Very low104 Ų104144.1 Ų144.156%0.55672%0.721SS**  trans54.687155.2-79.5-71.8000119.6K482D480-K482 PolarHBondContact O-N 2.8Å
481S46.8Very low45.3Very low138 Ų138142 Ų14297%0.96571%0.708SS**THydrogen-bonded Turntrans-65.635.9165.3-430000114.6
482K48.1Very low46.1Very low167 Ų167140.2 Ų140.273%0.72669%0.693SS**THydrogen-bonded Turntrans-114.3-11-174.4-159.1166.4-177.8175.80113.9D480 A484D480-K482 PolarHBondContact O-N 2.8Å; K482-A484 PolarHBondContact O-N 3.05Å
483A46.7Very low47.3Very low59 Ų59139.1 Ų139.149%0.48869%0.686SS.*SBendtrans-63.6-35.9-178.200000114.2R485 N486A483-R485 PolarHBondContact O-N 3.41Å; A483-N486 PolarHBondContact O-N 3.45Å; A483-N486 VanDerWaalsContact O-N 3.17Å
484A47Very low48.3Very low71 Ų71134.5 Ų134.559%0.58767%0.673SS**Hα-helixtrans-56.8-47.7-171.700000114K482 N486 R487K482-A484 PolarHBondContact O-N 3.05Å; A484-N486 PolarHBondContact O-N 3.41Å; A484-R487 PolarHBondContact O-N 3.31Å; A484-R487 VanDerWaalsContact O-N 3.16Å
485R47.8Very low49.2Very low223 Ų223135.2 Ų135.284%0.84267%0.669SS**Hα-helixtrans-66.6-17.5-178.3-82.8-171.3173.1110.5-1.6114.5A483A483-R485 PolarHBondContact O-N 3.41Å
486N46.2Very low50.1Low118 Ų118133.5 Ų133.563%0.63166%0.661SS**Hα-helixtrans-88.5-19.5175.9-87.80.4000113.5A483 A484 K490A483-N486 PolarHBondContact O-N 3.45Å; A483-N486 VanDerWaalsContact O-N 3.17Å; A484-N486 PolarHBondContact O-N 3.41Å; N486-K490 PolarHBondContact O-N 3.39Å; N486-K490 VanDerWaalsContact O-N 3.16Å
487R52.3Low50.9Low170 Ų170131 Ų13164%0.64265%0.65SS**Hα-helixtrans-68.2-55.4174.8-67.4-174.1-177.1169.80.5110.8A484 R489 K490 E491A484-R487 PolarHBondContact O-N 3.31Å; A484-R487 VanDerWaalsContact O-N 3.16Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.98Å; R487-R489 VanDerWaalsContact O-N 3.16Å; R487-K490 WeakPolarHBondContact O-CA 3.38Å; R487-K490 WeakPolarHBondContact O-CB 3.28Å; R487-K490 PolarHBondContact O-N 3.34Å; R487-E491 WeakPolarHBondContact O-CG 3.46Å; R487-E491 PolarHBondContact O-N 3.4Å
488T50.9Low51.6Low96 Ų96130.3 Ų130.359%0.58965%0.651SS**Hα-helixtrans-58.2-34.2179.8-40.70000113.4E491 A492T488-E491 WeakPolarHBondContact CA-OE2 3.44Å; T488-A492 WeakPolarHBondContact O-CB 3.25Å; T488-A492 PolarHBondContact O-N 2.97Å; T488-A492 VanDerWaalsContact O-N 3.08Å
489R51.8Low51.9Low201 Ų201127.1 Ų127.176%0.75865%0.649SS**Hα-helixtrans-75.6-30.9175.2-163.9-174.4-69-139.90.7112.7R487 L493R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.98Å; R487-R489 VanDerWaalsContact O-N 3.16Å; R489-L493 WeakPolarHBondContact O-CB 3.38Å; R489-L493 PolarHBondContact O-N 3.32Å
490K53.7Low52Low157 Ų157120.7 Ų120.768%0.68364%0.638SS**Hα-helixtrans-67.6-50.6169.8-98.2-165.6168.2-165.50110.8N486 R487 A492 L493 T494N486-K490 PolarHBondContact O-N 3.39Å; N486-K490 VanDerWaalsContact O-N 3.16Å; R487-K490 WeakPolarHBondContact O-CA 3.38Å; R487-K490 WeakPolarHBondContact O-CB 3.28Å; R487-K490 PolarHBondContact O-N 3.34Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.01Å; K490-L493 WeakPolarHBondContact O-CA 3.49Å; K490-L493 WeakPolarHBondContact O-CB 3.42Å; K490-L493 PolarHBondContact O-N 3.4Å; K490-T494 PolarHBondContact O-N 3.27Å; K490-T494 PolarHBondContact O-OG1 3.06Å; K490-T494 VanDerWaalsContact O-OG1 3.14Å
491E54.4Low52.5Low106 Ų106122.4 Ų122.450%0.49565%0.647SS.*Hα-helixtrans-55.6-45.1179.6-71153.6-172.700111.8R487 T488 L493 T494 L495R487-E491 WeakPolarHBondContact O-CG 3.46Å; R487-E491 PolarHBondContact O-N 3.4Å; T488-E491 WeakPolarHBondContact CA-OE2 3.44Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 2.94Å; E491-T494 PolarHBondContact O-N 3.26Å; E491-L495 WeakPolarHBondContact O-CB 3.43Å; E491-L495 WeakPolarHBondContact O-CG 3.38Å; E491-L495 PolarHBondContact O-N 3.09Å
492A53.2Low52.7Low60 Ų60121.4 Ų121.450%0.49664%0.64SS.*Hα-helixtrans-62.4-36174.700000113.6T488 K490 Q496T488-A492 WeakPolarHBondContact O-CB 3.25Å; T488-A492 PolarHBondContact O-N 2.97Å; T488-A492 VanDerWaalsContact O-N 3.08Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.01Å; A492-Q496 WeakPolarHBondContact O-CB 3.45Å; A492-Q496 PolarHBondContact O-N 3.37Å; A492-Q496 VanDerWaalsContact O-N 3.12Å
493L58.1Low52.8Low103 Ų103120.4 Ų120.454%0.53964%0.643SS.*Hα-helixtrans-73.3-39.9176.8-170.869.4000111.7R489 K490 E491 Q496 M497R489-L493 WeakPolarHBondContact O-CB 3.38Å; R489-L493 PolarHBondContact O-N 3.32Å; K490-L493 WeakPolarHBondContact O-CA 3.49Å; K490-L493 WeakPolarHBondContact O-CB 3.42Å; K490-L493 PolarHBondContact O-N 3.4Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 2.94Å; L493-Q496 PolarHBondContact O-N 3.24Å; L493-M497 PolarHBondContact O-N 3.11Å
494T58Low52.9Low79 Ų79125.8 Ų125.849%0.48566%0.658SS.*Hα-helixtrans-62.1-46.2175.1-58.60000111.1K490 E491 Q496 M497 L498K490-T494 PolarHBondContact O-N 3.27Å; K490-T494 PolarHBondContact O-OG1 3.06Å; K490-T494 VanDerWaalsContact O-OG1 3.14Å; E491-T494 PolarHBondContact O-N 3.26Å; T494-Q496 VanDerWaalsContact C-N 3.3Å; T494-Q496 PolarHBondContact O-N 2.89Å; T494-M497 PolarHBondContact O-N 3.44Å; T494-L498 HydrophobicContact CG2-CD1 3.98Å; T494-L498 WeakPolarHBondContact O-CG 3.43Å; T494-L498 PolarHBondContact O-N 3.43Å
495L58.3Low53.2Low112 Ų112132 Ų13259%0.58667%0.671SS**Hα-helixtrans-63.2-34.3175.3-72.1167.8000112.8E491 S499E491-L495 WeakPolarHBondContact O-CB 3.43Å; E491-L495 WeakPolarHBondContact O-CG 3.38Å; E491-L495 PolarHBondContact O-N 3.09Å; L495-S499 PolarHBondContact O-N 2.85Å; L495-S499 PolarHBondContact O-OG 2.86Å
496Q56.8Low52.9Low148 Ų148125.9 Ų125.969%0.69266%0.655SS**Hα-helixtrans-72.2-32.9176.1-175.2161.763.500112.9A492 L493 T494A492-Q496 WeakPolarHBondContact O-CB 3.45Å; A492-Q496 PolarHBondContact O-N 3.37Å; A492-Q496 VanDerWaalsContact O-N 3.12Å; L493-Q496 PolarHBondContact O-N 3.24Å; T494-Q496 VanDerWaalsContact C-N 3.3Å; T494-Q496 PolarHBondContact O-N 2.89Å
497M57.8Low53.1Low142 Ų142128.3 Ų128.370%0.767%0.668SS**Hα-helixtrans-70.9-44170.5-82.3-176.4138.100112.3L493 T494 S499 G500L493-M497 PolarHBondContact O-N 3.11Å; T494-M497 PolarHBondContact O-N 3.44Å; M497-S499 PolarHBondContact O-N 3.32Å; M497-G500 PolarHBondContact O-N 3.28Å
498L59.6Low53.2Low122 Ų122124.8 Ų124.864%0.63967%0.67SS**Hα-helixtrans-61.2-31.8179.5-74165.6000112.9T494 G500T494-L498 HydrophobicContact CG2-CD1 3.98Å; T494-L498 WeakPolarHBondContact O-CG 3.43Å; T494-L498 PolarHBondContact O-N 3.43Å; L498-G500 PolarHBondContact O-N 2.75Å
499S56.2Low53.1Low99 Ų99126.6 Ų126.669%0.69267%0.672SS**THydrogen-bonded Turntrans-79.5-1176.7-51.80000113.9L495 M497L495-S499 PolarHBondContact O-N 2.85Å; L495-S499 PolarHBondContact O-OG 2.86Å; M497-S499 PolarHBondContact O-N 3.32Å
500G47.8Very low52.9Low60 Ų60124.1 Ų124.162%0.61967%0.673SS**THydrogen-bonded Turntrans-100.9-4.2-17400000116.1M497 L498M497-G500 PolarHBondContact O-N 3.28Å; L498-G500 PolarHBondContact O-N 2.75Å
501L50.3Low52.8Low140 Ų140122.6 Ų122.673%0.73367%0.673SS**  trans-119.18.7-166.8-63177.1000114.8D503L501-D503 PolarHBondContact O-N 3.13Å
502S51.7Low52.6Low117 Ų117124.5 Ų124.582%0.81868%0.682SS**THydrogen-bonded Turntrans-76.628.9-170.570.50000116.2
503D49.8Very low52.5Low146 Ų146129.2 Ų129.278%0.78170%0.699SS**THydrogen-bonded Turntrans-154.535.8175.7-162.930.2000114L501L501-D503 PolarHBondContact O-N 3.13Å
504Q50Low52.5Low172 Ų172127.2 Ų127.280%0.80469%0.688SS**SBendtrans-151.4112.3165.3-146.7114.8128.500113.3
505K51.7Low52.5Low201 Ų201132.5 Ų132.587%0.87471%0.708SS**  trans24.7110.6158.4-66.7-178.1173.7-174.80117.6
506D42.3Very low52.8Low94 Ų94134.9 Ų134.950%0.50372%0.721SS.*  trans-140.6131.8137.4-145.8-39.7000111.4S508 Q509D506-S508 WeakPolarHBondContact OD1-CA 3.49Å; D506-S508 PolarHBondContact OD1-N 2.89Å; D506-Q509 PolarHBondContact OD1-N 3.46Å; D506-Q509 WeakPolarHBondContact OD2-CB 3.37Å; D506-Q509 VanDerWaalsContact OD2-CG 3.25Å; D506-Q509 WeakPolarHBondContact OD2-CG 3.43Å; D506-Q509 PolarHBondContact OD2-OE1 3.19Å
507D51.3Low53.3Low169 Ų169129.8 Ų129.890%0.90470%0.7SS**SBendtrans-141.627.7176.6-107.8-45.6000107.5
508S52.6Low54.4Low97 Ų97126.6 Ų126.668%0.67869%0.69SS**SBendtrans-151.4-34.1-166.3-64.80000115.7D506 D510D506-S508 WeakPolarHBondContact OD1-CA 3.49Å; D506-S508 PolarHBondContact OD1-N 2.89Å; S508-D510 VanDerWaalsContact C-N 3.28Å; S508-D510 PolarHBondContact O-N 3.47Å
509Q48.7Very low55.3Low134 Ų134126 Ų12663%0.62669%0.693SS**  trans-80.564.6175.4-67.1-160.2-66.500113.4D506 E512D506-Q509 PolarHBondContact OD1-N 3.46Å; D506-Q509 WeakPolarHBondContact OD2-CB 3.37Å; D506-Q509 VanDerWaalsContact OD2-CG 3.25Å; D506-Q509 WeakPolarHBondContact OD2-CG 3.43Å; D506-Q509 PolarHBondContact OD2-OE1 3.19Å; Q509-E512 PolarHBondContact NE2-OE2 3.26Å
510D49.3Very low56.5Low148 Ų148128.6 Ų128.679%0.79169%0.694SS**SBendtrans-121.618.3165.4-155.830.6000111.5S508S508-D510 VanDerWaalsContact C-N 3.28Å; S508-D510 PolarHBondContact O-N 3.47Å
511N50.2Low58.3Low125 Ų125129 Ų12967%0.66869%0.685SS**SBendtrans-136.12.9-174.3-64.6-91.7000114.6
512E49.8Very low60.2Low147 Ų147127.1 Ų127.169%0.68767%0.67SS**SBendtrans-107.9-8.9-176.6-66-172.9140.600114.1Q509Q509-E512 PolarHBondContact NE2-OE2 3.26Å
513D52.3Low61.9Low159 Ų159127.8 Ų127.885%0.8566%0.662SS**SBendtrans-108.818.4176.9-149.832.9000111.5
514D57.5Low63.9Low60 Ų60126.7 Ų126.732%0.32165%0.652SS.*  trans-118.64.7-168.1-165.231.6000113.4K522D514-K522 WeakPolarHBondContact OD1-CE 3.31Å; D514-K522 IonicContact OD1-NZ 2.83Å; D514-K522 PolarHBondContact OD1-NZ 3.23Å; D514-K522 IonicContact OD2-NZ 2.84Å; D514-K522 PolarHBondContact OD2-NZ 2.88Å
515E58Low65.8Low191 Ų191126.5 Ų126.589%0.89364%0.644SS**SBendtrans-81.8-31.3175-76.8-153.6134.500114
516D64.2Low67.9Low161 Ų161119.7 Ų119.786%0.86162%0.615SS**SBendtrans-108.812.7-172.8-150.120.2000113.2P518D516-P518 WeakPolarHBondContact O-CD 3.39Å
517V68.8Low70.5Confident42 Ų42123.8 Ų123.826%0.25562%0.624SS.*SBendtrans-82.5120.1173.8-179.90000109.3V521V517-V521 HydrophobicContact CG1-CB 4.11Å; V517-V521 HydrophobicContact CG1-CG1 4.13Å
518P79.5Confident72.6Confident75 Ų75122 Ų12249%0.48761%0.61SS.*  trans-56.5138.2-179.7-26.735.1000112.1D516 E520 V521 K522D516-P518 WeakPolarHBondContact O-CD 3.39Å; P518-E520 PolarHBondContact O-N 3.25Å; P518-V521 HydrophobicContact CB-CG2 4.25Å; P518-V521 HydrophobicContact CG-CG2 4.43Å; P518-V521 WeakPolarHBondContact O-CB 3.42Å; P518-V521 PolarHBondContact O-N 3.05Å; P518-K522 PolarHBondContact O-N 3.41Å
519P78.5Confident74.7Confident108 Ų108124.3 Ų124.370%0.70160%0.604SS**Hα-helixtrans-60.2-26.8-174.522.6-33.5000112.9K522 M523P519-K522 PolarHBondContact O-N 3.36Å; P519-M523 WeakPolarHBondContact O-CG 3.43Å; P519-M523 PolarHBondContact O-N 2.86Å
520E82.1Confident77.1Confident155 Ų155125.4 Ų125.472%0.72460%0.602SS**Hα-helixtrans-62.6-44.9173-169.7162.6-147.100112.6P518 K522 M523 E524P518-E520 PolarHBondContact O-N 3.25Å; E520-K522 VanDerWaalsContact C-N 3.31Å; E520-K522 PolarHBondContact O-N 3.48Å; E520-M523 WeakPolarHBondContact O-CG 3.39Å; E520-M523 PolarHBondContact O-N 3.43Å; E520-E524 WeakPolarHBondContact O-CB 3.32Å; E520-E524 PolarHBondContact O-N 2.93Å
521V86.5Confident79.4Confident69 Ų69122.8 Ų122.842%0.41859%0.591SS.*Hα-helixtrans-66.6-36.2175.5179.70000110.8V517 P518 E524 R525V517-V521 HydrophobicContact CG1-CB 4.11Å; V517-V521 HydrophobicContact CG1-CG1 4.13Å; P518-V521 HydrophobicContact CB-CG2 4.25Å; P518-V521 HydrophobicContact CG-CG2 4.43Å; P518-V521 WeakPolarHBondContact O-CB 3.42Å; P518-V521 PolarHBondContact O-N 3.05Å; V521-E524 PolarHBondContact O-N 2.95Å; V521-R525 PolarHBondContact O-N 2.93Å
522K89.1Confident81.6Confident99 Ų99119.1 Ų119.143%0.4358%0.578SS.*Hα-helixtrans-67.4-42.8177.6-161.6163.3-171.61570111.9D514 P518 P519 E520 E526D514-K522 WeakPolarHBondContact OD1-CE 3.31Å; D514-K522 IonicContact OD1-NZ 2.83Å; D514-K522 PolarHBondContact OD1-NZ 3.23Å; D514-K522 IonicContact OD2-NZ 2.84Å; D514-K522 PolarHBondContact OD2-NZ 2.88Å; P518-K522 PolarHBondContact O-N 3.41Å; P519-K522 PolarHBondContact O-N 3.36Å; E520-K522 VanDerWaalsContact C-N 3.31Å; E520-K522 PolarHBondContact O-N 3.48Å; K522-E526 WeakPolarHBondContact O-CB 3.33Å; K522-E526 PolarHBondContact O-N 3.47Å
523M87.8Confident84Confident132 Ų132117.2 Ų117.265%0.6557%0.573SS**Hα-helixtrans-71.2-27.717466.6-179.6-79.500113.2P519 E520 R527P519-M523 WeakPolarHBondContact O-CG 3.43Å; P519-M523 PolarHBondContact O-N 2.86Å; E520-M523 WeakPolarHBondContact O-CG 3.39Å; E520-M523 PolarHBondContact O-N 3.43Å; M523-R527 VanDerWaalsContact O-CB 3.3Å; M523-R527 WeakPolarHBondContact O-CB 3.42Å; M523-R527 PolarHBondContact O-N 3.34Å
524E91.5Very high86.2Confident122 Ų122113.5 Ų113.557%0.5755%0.553SS**Hα-helixtrans-69.1-48.5172.4-174.1152.6-110.700111.7E520 V521 E526 R527 E528E520-E524 WeakPolarHBondContact O-CB 3.32Å; E520-E524 PolarHBondContact O-N 2.93Å; V521-E524 PolarHBondContact O-N 2.95Å; E524-E526 VanDerWaalsContact C-N 3.26Å; E524-E526 PolarHBondContact O-N 3.01Å; E524-R527 CarbonylContact O-C 3.55Å; E524-R527 WeakPolarHBondContact O-CA 3.39Å; E524-R527 WeakPolarHBondContact O-CB 3.44Å; E524-R527 PolarHBondContact O-N 2.98Å; E524-E528 PolarHBondContact O-N 2.96Å
525R91Very high88.1Confident169 Ų169113.1 Ų113.164%0.63856%0.558SS**Hα-helixtrans-56.2-40.5172.4-172.6-173.1-71.1-176.20.3112V521 E528 R529V521-R525 PolarHBondContact O-N 2.93Å; R525-E528 PolarHBondContact O-N 3.18Å; R525-R529 PolarHBondContact O-N 3.47Å
526E95.1Very high90.1Very high57 Ų57113 Ų11327%0.26655%0.549SS..Hα-helixtrans-65.4-38.1175.2179.866-163.300112.4K522 E524 R529 R530K522-E526 WeakPolarHBondContact O-CB 3.33Å; K522-E526 PolarHBondContact O-N 3.47Å; E524-E526 VanDerWaalsContact C-N 3.26Å; E524-E526 PolarHBondContact O-N 3.01Å; E526-R529 IonicContact OE1-CZ 2.9Å; E526-R529 IonicContact OE1-NH2 3.99Å; E526-R529 PolarHBondContact OE1-NH2 3.44Å; E526-R529 IonicContact OE2-CZ 2.76Å; E526-R529 IonicContact OE2-NH1 3.1Å; E526-R529 PolarHBondContact OE2-NH1 2.99Å; E526-R529 IonicContact OE2-NH2 3.83Å; E526-R529 PolarHBondContact OE2-NH2 3.05Å; E526-R530 VanDerWaalsContact CG-NH1 3.31Å; E526-R530 PolarHBondContact O-N 3.44Å; E526-R530 VanDerWaalsContact O-N 3.12Å; E526-R530 IonicContact OE1-CZ 2.65Å; E526-R530 IonicContact OE1-NH1 2.6Å; E526-R530 PolarHBondContact OE1-NH1 2.87Å; E526-R530 IonicContact OE1-NH2 2.7Å; E526-R530 PolarHBondContact OE1-NH2 3.25Å; E526-R530 VanDerWaalsContact OE1-NH2 3.13Å
527R95.8Very high91.7Very high181 Ų181108.9 Ų108.968%0.68353%0.525SS*.Hα-helixtrans-66.3-47.1174179.9-178-177.2141.90.1111.1M523 E524 R529 R530 V531M523-R527 VanDerWaalsContact O-CB 3.3Å; M523-R527 WeakPolarHBondContact O-CB 3.42Å; M523-R527 PolarHBondContact O-N 3.34Å; E524-R527 CarbonylContact O-C 3.55Å; E524-R527 WeakPolarHBondContact O-CA 3.39Å; E524-R527 WeakPolarHBondContact O-CB 3.44Å; E524-R527 PolarHBondContact O-N 2.98Å; R527-R529 PolarHBondContact O-N 3.02Å; R527-R530 PolarHBondContact O-N 2.97Å; R527-V531 WeakPolarHBondContact O-CG2 3.3Å; R527-V531 PolarHBondContact O-N 3.02Å
528E96.1Very high93.1Very high131 Ų131115.1 Ų115.161%0.61254%0.544SS*.Hα-helixtrans-58.4-46175.1-70.8-165.9137.500111.6E524 R525 R530 V531 A532E524-E528 PolarHBondContact O-N 2.96Å; R525-E528 PolarHBondContact O-N 3.18Å; E528-R530 VanDerWaalsContact C-N 3.29Å; E528-R530 PolarHBondContact O-N 2.86Å; E528-V531 PolarHBondContact O-N 3.42Å; E528-V531 VanDerWaalsContact O-N 3.15Å; E528-A532 WeakPolarHBondContact O-CB 3.47Å; E528-A532 PolarHBondContact O-N 3.13Å
529R97.4Very high94Very high146 Ų146115.5 Ų115.555%0.55154%0.542SS*.Hα-helixtrans-59.5-39.6176.5-160.8-173.172.7-115.6-16.8111.6R525 E526 R527 N533R525-R529 PolarHBondContact O-N 3.47Å; E526-R529 IonicContact OE1-CZ 2.9Å; E526-R529 IonicContact OE1-NH2 3.99Å; E526-R529 PolarHBondContact OE1-NH2 3.44Å; E526-R529 IonicContact OE2-CZ 2.76Å; E526-R529 IonicContact OE2-NH1 3.1Å; E526-R529 PolarHBondContact OE2-NH1 2.99Å; E526-R529 IonicContact OE2-NH2 3.83Å; E526-R529 PolarHBondContact OE2-NH2 3.05Å; R527-R529 PolarHBondContact O-N 3.02Å; R529-N533 VanDerWaalsContact O-CB 3.27Å; R529-N533 WeakPolarHBondContact O-CB 3.25Å; R529-N533 PolarHBondContact O-N 3.44Å
530R97.8Very high95Very high156 Ų156117.3 Ų117.359%0.58953%0.534SS*.Hα-helixtrans-66.1-43.1173.7-79.8-162.9174.274.715.8112.8E526 R527 E528 N533 N534E526-R530 VanDerWaalsContact CG-NH1 3.31Å; E526-R530 PolarHBondContact O-N 3.44Å; E526-R530 VanDerWaalsContact O-N 3.12Å; E526-R530 IonicContact OE1-CZ 2.65Å; E526-R530 IonicContact OE1-NH1 2.6Å; E526-R530 PolarHBondContact OE1-NH1 2.87Å; E526-R530 IonicContact OE1-NH2 2.7Å; E526-R530 PolarHBondContact OE1-NH2 3.25Å; E526-R530 VanDerWaalsContact OE1-NH2 3.13Å; R527-R530 PolarHBondContact O-N 2.97Å; E528-R530 VanDerWaalsContact C-N 3.29Å; E528-R530 PolarHBondContact O-N 2.86Å; R530-N533 PolarHBondContact O-N 3.38Å; R530-N534 WeakPolarHBondContact O-CB 3.12Å; R530-N534 PolarHBondContact O-N 3.46Å
531V97.8Very high95.8Very high93 Ų93112.7 Ų112.756%0.56452%0.517SS*.Hα-helixtrans-63.6-47.5177.8171.20000110.9R527 E528 N533 N534 A535R527-V531 WeakPolarHBondContact O-CG2 3.3Å; R527-V531 PolarHBondContact O-N 3.02Å; E528-V531 PolarHBondContact O-N 3.42Å; E528-V531 VanDerWaalsContact O-N 3.15Å; V531-N533 VanDerWaalsContact C-N 3.34Å; V531-N533 PolarHBondContact O-N 2.87Å; V531-N534 PolarHBondContact O-N 3.13Å; V531-A535 WeakPolarHBondContact O-CB 3.48Å; V531-A535 PolarHBondContact O-N 3.28Å
532A97.8Very high96.4Very high48 Ų48116 Ų11640%0.39752%0.522SS..Hα-helixtrans-63.2-37.7178.400000112.6E528 R536E528-A532 WeakPolarHBondContact O-CB 3.47Å; E528-A532 PolarHBondContact O-N 3.13Å; A532-R536 WeakPolarHBondContact O-CG 3.17Å; A532-R536 PolarHBondContact O-N 3.19Å
533N98.5Very high96.9Very high107 Ų107115.7 Ų115.757%0.57253%0.525SS*.Hα-helixtrans-68.5-46.8174-169.2-44.7000111.2R529 R530 V531 A535 R536 E537R529-N533 VanDerWaalsContact O-CB 3.27Å; R529-N533 WeakPolarHBondContact O-CB 3.25Å; R529-N533 PolarHBondContact O-N 3.44Å; R530-N533 PolarHBondContact O-N 3.38Å; V531-N533 VanDerWaalsContact C-N 3.34Å; V531-N533 PolarHBondContact O-N 2.87Å; N533-A535 VanDerWaalsContact C-N 3.28Å; N533-A535 PolarHBondContact O-N 3.37Å; N533-R536 PolarHBondContact O-N 2.97Å; N533-R536 VanDerWaalsContact O-N 3.09Å; N533-E537 PolarHBondContact O-N 3.1Å
534N98.7Very high97.4Very high82 Ų82112.8 Ų112.844%0.43951%0.511SS..Hα-helixtrans-59.5-38176.7-166.9-104.1000112.2R530 V531 E537 R538R530-N534 WeakPolarHBondContact O-CB 3.12Å; R530-N534 PolarHBondContact O-N 3.46Å; V531-N534 PolarHBondContact O-N 3.13Å; N534-E537 PolarHBondContact O-N 3.3Å; N534-R538 WeakPolarHBondContact O-CB 3.46Å; N534-R538 VanDerWaalsContact O-CG 3.29Å; N534-R538 WeakPolarHBondContact O-CG 3.31Å; N534-R538 PolarHBondContact O-N 2.96Å; N534-R538 PolarHBondContact OD1-NE 3.11Å; N534-R538 PolarHBondContact OD1-NH2 2.87Å; N534-R538 VanDerWaalsContact OD1-NH2 3.15Å
535A98.7Very high97.7Very high51 Ų51109.6 Ų109.642%0.42150%0.498SS..Hα-helixtrans-62-46.1173.600000112V531 N533 R538 L539V531-A535 WeakPolarHBondContact O-CB 3.48Å; V531-A535 PolarHBondContact O-N 3.28Å; N533-A535 VanDerWaalsContact C-N 3.28Å; N533-A535 PolarHBondContact O-N 3.37Å; A535-R538 PolarHBondContact O-N 3.49Å; A535-L539 WeakPolarHBondContact O-CG 3.36Å; A535-L539 PolarHBondContact O-N 3.23Å; A535-L539 VanDerWaalsContact O-N 3.11Å
536R98.7Very high98.1Very high188 Ų188107.3 Ų107.371%0.70950%0.495SS*.Hα-helixtrans-61.7-43.1176.5-69.7169.9-168.8-116.55.3112.2A532 N533 L539 R540A532-R536 WeakPolarHBondContact O-CG 3.17Å; A532-R536 PolarHBondContact O-N 3.19Å; N533-R536 PolarHBondContact O-N 2.97Å; N533-R536 VanDerWaalsContact O-N 3.09Å; R536-L539 WeakPolarHBondContact O-CB 3.27Å; R536-L539 PolarHBondContact O-N 3.17Å; R536-R540 PolarHBondContact O-N 3.31Å
537E98.7Very high98.2Very high75 Ų75107.7 Ų107.735%0.3551%0.507SS..Hα-helixtrans-68.7-35.5177.6-173.160.2-165.700112N533 N534 L539 R540 V541N533-E537 PolarHBondContact O-N 3.1Å; N534-E537 PolarHBondContact O-N 3.3Å; E537-L539 VanDerWaalsContact C-N 3.29Å; E537-L539 PolarHBondContact O-N 3.16Å; E537-R540 PolarHBondContact O-N 3.16Å; E537-R540 IonicContact OE1-CZ 3.96Å; E537-R540 IonicContact OE1-NH1 3.53Å; E537-R540 PolarHBondContact OE1-NH1 3.39Å; E537-R540 WeakPolarHBondContact OE2-CD 3.39Å; E537-R540 IonicContact OE2-CZ 3.08Å; E537-R540 IonicContact OE2-NE 3.75Å; E537-R540 IonicContact OE2-NH1 3.92Å; E537-R540 PolarHBondContact OE2-NH1 3.05Å; E537-V541 HydrophobicContact CG-CG2 4.23Å; E537-V541 WeakPolarHBondContact O-CB 3.42Å; E537-V541 VanDerWaalsContact O-CG2 3.3Å; E537-V541 WeakPolarHBondContact O-CG2 3.28Å; E537-V541 PolarHBondContact O-N 2.86Å
538R98.7Very high98.4Very high174 Ų174100.9 Ų100.966%0.65748%0.483SS*.Hα-helixtrans-60.8-35.6171.4-75.9178.7-165.8-1365.3112.8N534 A535 R542N534-R538 WeakPolarHBondContact O-CB 3.46Å; N534-R538 VanDerWaalsContact O-CG 3.29Å; N534-R538 WeakPolarHBondContact O-CG 3.31Å; N534-R538 PolarHBondContact O-N 2.96Å; N534-R538 PolarHBondContact OD1-NE 3.11Å; N534-R538 PolarHBondContact OD1-NH2 2.87Å; N534-R538 VanDerWaalsContact OD1-NH2 3.15Å; A535-R538 PolarHBondContact O-N 3.49Å; R538-R542 WeakPolarHBondContact O-CB 3.23Å; R538-R542 PolarHBondContact O-N 3.09Å; R538-R542 VanDerWaalsContact O-N 3.16Å
539L98.7Very high98.4Very high82 Ų82101.5 Ų101.543%0.42948%0.483SS..Hα-helixtrans-65.5-57.9172.1-64.1176.7000110.1A535 R536 E537 V541 R542 D543A535-L539 WeakPolarHBondContact O-CG 3.36Å; A535-L539 PolarHBondContact O-N 3.23Å; A535-L539 VanDerWaalsContact O-N 3.11Å; R536-L539 WeakPolarHBondContact O-CB 3.27Å; R536-L539 PolarHBondContact O-N 3.17Å; E537-L539 VanDerWaalsContact C-N 3.29Å; E537-L539 PolarHBondContact O-N 3.16Å; L539-V541 VanDerWaalsContact C-N 3.27Å; L539-V541 PolarHBondContact O-N 3.34Å; L539-V541 VanDerWaalsContact O-N 3.16Å; L539-R542 WeakPolarHBondContact O-CA 3.35Å; L539-R542 VanDerWaalsContact O-CB 3.23Å; L539-R542 WeakPolarHBondContact O-CB 3.45Å; L539-R542 PolarHBondContact O-N 3.18Å; L539-D543 PolarHBondContact O-N 3.3Å
540R98.8Very high98.5Very high146 Ų14698.7 Ų98.755%0.55148%0.476SS*.Hα-helixtrans-51.9-42.6179.3175172.3169.2-113.71.9113.2R536 E537 D543 I544R536-R540 PolarHBondContact O-N 3.31Å; E537-R540 PolarHBondContact O-N 3.16Å; E537-R540 IonicContact OE1-CZ 3.96Å; E537-R540 IonicContact OE1-NH1 3.53Å; E537-R540 PolarHBondContact OE1-NH1 3.39Å; E537-R540 WeakPolarHBondContact OE2-CD 3.39Å; E537-R540 IonicContact OE2-CZ 3.08Å; E537-R540 IonicContact OE2-NE 3.75Å; E537-R540 IonicContact OE2-NH1 3.92Å; E537-R540 PolarHBondContact OE2-NH1 3.05Å; R540-D543 PolarHBondContact O-N 2.95Å; R540-I544 HydrophobicContact CG-CD1 4.01Å; R540-I544 WeakPolarHBondContact O-CB 3.43Å; R540-I544 WeakPolarHBondContact O-CD1 3.43Å; R540-I544 VanDerWaalsContact O-CG1 3.25Å; R540-I544 WeakPolarHBondContact O-CG1 3.48Å; R540-I544 PolarHBondContact O-N 3.04Å
541V98.9Very high98.5Very high58 Ų5894 Ų9435%0.35246%0.463SS..Hα-helixtrans-68.7-34.7176.6170.30000112.1E537 L539 N545E537-V541 HydrophobicContact CG-CG2 4.23Å; E537-V541 WeakPolarHBondContact O-CB 3.42Å; E537-V541 VanDerWaalsContact O-CG2 3.3Å; E537-V541 WeakPolarHBondContact O-CG2 3.28Å; E537-V541 PolarHBondContact O-N 2.86Å; L539-V541 VanDerWaalsContact C-N 3.27Å; L539-V541 PolarHBondContact O-N 3.34Å; L539-V541 VanDerWaalsContact O-N 3.16Å; V541-N545 WeakPolarHBondContact O-CB 3.38Å; V541-N545 PolarHBondContact O-N 2.9Å; V541-N545 PolarHBondContact O-ND2 2.71Å
542R98.7Very high98.5Very high139 Ų13989.6 Ų89.653%0.52544%0.436SS..Hα-helixtrans-62.9-48.4172.4-172.3-163.7-58.7144.50.3110.7R538 L539 I544 N545 E546R538-R542 WeakPolarHBondContact O-CB 3.23Å; R538-R542 PolarHBondContact O-N 3.09Å; R538-R542 VanDerWaalsContact O-N 3.16Å; L539-R542 WeakPolarHBondContact O-CA 3.35Å; L539-R542 VanDerWaalsContact O-CB 3.23Å; L539-R542 WeakPolarHBondContact O-CB 3.45Å; L539-R542 PolarHBondContact O-N 3.18Å; R542-I544 VanDerWaalsContact C-N 3.35Å; R542-I544 PolarHBondContact O-N 3.24Å; R542-N545 CarbonylContact O-C 3.57Å; R542-N545 WeakPolarHBondContact O-CA 3.37Å; R542-N545 WeakPolarHBondContact O-CB 3.37Å; R542-N545 PolarHBondContact O-N 2.76Å; R542-E546 PolarHBondContact O-N 2.94Å
543D98.8Very high98.5Very high93 Ų9393.9 Ų93.950%0.49744%0.442SS..Hα-helixtrans-63.9-42.2-176.4-50.4-22.1000110.7L539 R540 N545 E546 A547L539-D543 PolarHBondContact O-N 3.3Å; R540-D543 PolarHBondContact O-N 2.95Å; D543-N545 PolarHBondContact O-N 3.28Å; D543-E546 PolarHBondContact O-N 3.48Å; D543-A547 PolarHBondContact O-N 2.83Å
544I98.8Very high98.4Very high70 Ų7093.8 Ų93.836%0.35944%0.439SS..Hα-helixtrans-59.9-43.5170.7-69.8165.6000111.2R540 R542 E546 F548R540-I544 HydrophobicContact CG-CD1 4.01Å; R540-I544 WeakPolarHBondContact O-CB 3.43Å; R540-I544 WeakPolarHBondContact O-CD1 3.43Å; R540-I544 VanDerWaalsContact O-CG1 3.25Å; R540-I544 WeakPolarHBondContact O-CG1 3.48Å; R540-I544 PolarHBondContact O-N 3.04Å; R542-I544 VanDerWaalsContact C-N 3.35Å; R542-I544 PolarHBondContact O-N 3.24Å; I544-E546 VanDerWaalsContact C-N 3.27Å; I544-E546 PolarHBondContact O-N 3.15Å; I544-F548 HydrophobicContact CG2-CD2 3.97Å; I544-F548 HydrophobicContact CG2-CE2 4.15Å; I544-F548 WeakPolarHBondContact O-CD2 3.36Å; I544-F548 PolarHBondContact O-N 3.48Å
545N98.6Very high98.4Very high56 Ų5690 Ų9030%0.29942%0.419SS..Hα-helixtrans-66.5-28.7177.3-70.4-26.6000112.6V541 R542 D543 K549 K567V541-N545 WeakPolarHBondContact O-CB 3.38Å; V541-N545 PolarHBondContact O-N 2.9Å; V541-N545 PolarHBondContact O-ND2 2.71Å; R542-N545 CarbonylContact O-C 3.57Å; R542-N545 WeakPolarHBondContact O-CA 3.37Å; R542-N545 WeakPolarHBondContact O-CB 3.37Å; R542-N545 PolarHBondContact O-N 2.76Å; D543-N545 PolarHBondContact O-N 3.28Å; N545-K549 WeakPolarHBondContact O-CG 3.47Å; N545-K549 PolarHBondContact O-N 3.15Å; N545-K567 WeakPolarHBondContact OD1-CE 3.38Å; N545-K567 PolarHBondContact OD1-NZ 2.88Å
546E98.6Very high98.3Very high121 Ų12190.5 Ų90.557%0.56541%0.413SS*.Hα-helixtrans-75.5-46.9176.9-166.2160.2146.800111.5R542 D543 I544 F548 K549 E550R542-E546 PolarHBondContact O-N 2.94Å; D543-E546 PolarHBondContact O-N 3.48Å; I544-E546 VanDerWaalsContact C-N 3.27Å; I544-E546 PolarHBondContact O-N 3.15Å; E546-F548 PolarHBondContact O-N 2.82Å; E546-K549 WeakPolarHBondContact O-CB 3.49Å; E546-K549 PolarHBondContact O-N 2.86Å; E546-E550 PolarHBondContact O-N 3.41Å
547A98.7Very high98.1Very high64 Ų6488.2 Ų88.253%0.52941%0.414SS..Hα-helixtrans-56.2-38170.800000112.2D543 E550 L551D543-A547 PolarHBondContact O-N 2.83Å; A547-E550 PolarHBondContact O-N 2.98Å; A547-L551 WeakPolarHBondContact O-CB 3.46Å; A547-L551 PolarHBondContact O-N 2.89Å
548F98.6Very high97.9Very high38 Ų3889.4 Ų89.417%0.16742%0.419CS..Hα-helixtrans-63.3-38.2172.8-99.6-69.4000113.3I544 E546 G552 K567 I570 L571I544-F548 HydrophobicContact CG2-CD2 3.97Å; I544-F548 HydrophobicContact CG2-CE2 4.15Å; I544-F548 WeakPolarHBondContact O-CD2 3.36Å; I544-F548 PolarHBondContact O-N 3.48Å; E546-F548 PolarHBondContact O-N 2.82Å; F548-G552 PolarHBondContact O-N 3.33Å; F548-K567 HydrophobicContact CD1-CB 4.13Å; F548-K567 HydrophobicContact CD1-CG 4.02Å; F548-K567 HydrophobicContact CD2-CD 4Å; F548-K567 HydrophobicContact CD2-CG 4.14Å; F548-K567 HydrophobicContact CE1-CB 3.76Å; F548-K567 HydrophobicContact CE1-CG 4.09Å; F548-K567 WeakPolarHBondContact CE1-O 3.47Å; F548-K567 HydrophobicContact CE2-CB 4.41Å; F548-K567 HydrophobicContact CE2-CD 3.92Å; F548-K567 HydrophobicContact CE2-CG 4.21Å; F548-K567 HydrophobicContact CG-CD 4.41Å; F548-K567 HydrophobicContact CG-CG 4.05Å; F548-K567 HydrophobicContact CZ-CB 3.92Å; F548-K567 HydrophobicContact CZ-CD 4.26Å; F548-K567 HydrophobicContact CZ-CG 4.18Å; F548-I570 HydrophobicContact CD1-CB 4.13Å; F548-I570 HydrophobicContact CD1-CD1 4.07Å; F548-I570 HydrophobicContact CD1-CG2 4.06Å; F548-I570 HydrophobicContact CE1-CB 4.3Å; F548-I570 HydrophobicContact CE1-CG2 4.39Å; F548-I570 WeakPolarHBondContact O-CD1 3.44Å; F548-L571 HydrophobicContact CE1-CD2 3.93Å; F548-L571 HydrophobicContact CE1-CG 3.96Å; F548-L571 HydrophobicContact CZ-CD1 4.3Å; F548-L571 HydrophobicContact CZ-CD2 3.99Å; F548-L571 HydrophobicContact CZ-CG 4.11Å
549K97.6Very high97.7Very high145 Ų14583.7 Ų83.763%0.6340%0.402SS*.Hα-helixtrans-66-41.7175.7-69165.8-171.9172.30111.4N545 E546 G552 R553N545-K549 WeakPolarHBondContact O-CG 3.47Å; N545-K549 PolarHBondContact O-N 3.15Å; E546-K549 WeakPolarHBondContact O-CB 3.49Å; E546-K549 PolarHBondContact O-N 2.86Å; K549-G552 PolarHBondContact O-N 3.04Å; K549-R553 PolarHBondContact O-N 3Å
550E98.1Very high97.2Very high86 Ų8685.3 Ų85.340%0.40242%0.42SS..Hα-helixtrans-63.9-50.5178.6-164.959.1-140.500111.2E546 A547 G552 R553 M554E546-E550 PolarHBondContact O-N 3.41Å; A547-E550 PolarHBondContact O-N 2.98Å; E550-G552 VanDerWaalsContact C-N 3.28Å; E550-G552 PolarHBondContact O-N 3.45Å; E550-R553 PolarHBondContact O-N 3.43Å; E550-R553 IonicContact OE1-CZ 2.92Å; E550-R553 IonicContact OE1-NH1 2.74Å; E550-R553 PolarHBondContact OE1-NH1 3.28Å; E550-R553 IonicContact OE1-NH2 2.78Å; E550-R553 PolarHBondContact OE1-NH2 3.25Å; E550-R553 IonicContact OE2-CZ 2.65Å; E550-R553 VanDerWaalsContact OE2-CZ 3.26Å; E550-R553 IonicContact OE2-NE 2.81Å; E550-R553 IonicContact OE2-NH1 3.74Å; E550-R553 IonicContact OE2-NH2 2.62Å; E550-R553 PolarHBondContact OE2-NH2 2.97Å; E550-M554 WeakPolarHBondContact O-CG 3.5Å; E550-M554 PolarHBondContact O-N 2.89Å
551L98.4Very high96.5Very high59 Ų5980.4 Ų80.431%0.30940%0.403SS..Hα-helixtrans-59.8-39.3176-175.661.8000111.6A547 M554 C555 I570 A574A547-L551 WeakPolarHBondContact O-CB 3.46Å; A547-L551 PolarHBondContact O-N 2.89Å; L551-M554 PolarHBondContact O-N 2.9Å; L551-C555 WeakPolarHBondContact O-CB 3.44Å; L551-C555 PolarHBondContact O-N 3.18Å; L551-C555 PolarHBondContact O-SG 3.12Å; L551-I570 HydrophobicContact CB-CG2 4.02Å; L551-I570 HydrophobicContact CD2-CG2 3.84Å; L551-I570 HydrophobicContact CG-CG2 3.67Å; L551-A574 HydrophobicContact CD1-CB 4Å; L551-A574 HydrophobicContact CD2-CB 4.18Å; L551-A574 HydrophobicContact CG-CB 4.28Å
552G97.7Very high96.1Very high0 Ų084.3 Ų84.30%042%0.422CS..Hα-helixtrans-57.1-48.9173.900000112.7F548 K549 E550 C555 Q556 Q565F548-G552 PolarHBondContact O-N 3.33Å; K549-G552 PolarHBondContact O-N 3.04Å; E550-G552 VanDerWaalsContact C-N 3.28Å; E550-G552 PolarHBondContact O-N 3.45Å; G552-C555 PolarHBondContact O-N 3.17Å; G552-Q556 WeakPolarHBondContact O-CB 3.25Å; G552-Q556 PolarHBondContact O-N 3.16Å; G552-Q565 PolarHBondContact O-NE2 3.4Å; G552-Q565 PolarHBondContact O-OE1 3.28Å
553R97Very high95.6Very high138 Ų13884.7 Ų84.752%0.52143%0.427SS..Hα-helixtrans-61.2-44.6174.2-73-153.6-75.185.2-13.3112.6K549 E550 C555 Q556 L557K549-R553 PolarHBondContact O-N 3Å; E550-R553 PolarHBondContact O-N 3.43Å; E550-R553 IonicContact OE1-CZ 2.92Å; E550-R553 IonicContact OE1-NH1 2.74Å; E550-R553 PolarHBondContact OE1-NH1 3.28Å; E550-R553 IonicContact OE1-NH2 2.78Å; E550-R553 PolarHBondContact OE1-NH2 3.25Å; E550-R553 IonicContact OE2-CZ 2.65Å; E550-R553 VanDerWaalsContact OE2-CZ 3.26Å; E550-R553 IonicContact OE2-NE 2.81Å; E550-R553 IonicContact OE2-NH1 3.74Å; E550-R553 IonicContact OE2-NH2 2.62Å; E550-R553 PolarHBondContact OE2-NH2 2.97Å; R553-C555 VanDerWaalsContact C-N 3.32Å; R553-C555 PolarHBondContact O-N 3.37Å; R553-Q556 PolarHBondContact O-N 2.88Å; R553-L557 PolarHBondContact O-N 3.38Å
554M97.4Very high95.3Very high104 Ų10486.4 Ų86.451%0.51244%0.444SS..Hα-helixtrans-61.1-42177.8-69.2-177.272.400111.4E550 L551 L557 H558E550-M554 WeakPolarHBondContact O-CG 3.5Å; E550-M554 PolarHBondContact O-N 2.89Å; L551-M554 PolarHBondContact O-N 2.9Å; M554-L557 PolarHBondContact O-N 2.99Å; M554-H558 PolarHBondContact O-CD2 3.14Å; M554-H558 PolarHBondContact O-N 3.42Å
555C97.8Very high95.1Very high3 Ų385.6 Ų85.62%0.0244%0.438CS..Hα-helixtrans-65.6-42.3175.6-66.40000112.3L551 G552 R553 L557 H558 L559 Q573 A574L551-C555 WeakPolarHBondContact O-CB 3.44Å; L551-C555 PolarHBondContact O-N 3.18Å; L551-C555 PolarHBondContact O-SG 3.12Å; G552-C555 PolarHBondContact O-N 3.17Å; R553-C555 VanDerWaalsContact C-N 3.32Å; R553-C555 PolarHBondContact O-N 3.37Å; C555-L557 VanDerWaalsContact C-N 3.32Å; C555-L557 PolarHBondContact O-N 3.29Å; C555-H558 PolarHBondContact O-N 3.34Å; C555-L559 WeakPolarHBondContact O-CB 3.35Å; C555-L559 WeakPolarHBondContact O-CG 3.36Å; C555-L559 PolarHBondContact O-N 2.85Å; C555-Q573 HydrophobicContact CB-CB 3.91Å; C555-A574 WeakPolarHBondContact SG-CA 3.34Å; C555-A574 PolarHBondContact SG-N 3.41Å; C555-A574 VanDerWaalsContact SG-N 3.44Å
556Q96.3Very high95Very high62 Ų6287.2 Ų87.229%0.2945%0.45SS..Hα-helixtrans-60.8-40.4177.2178.9174.210.100111.9G552 R553 H558 L559 S560 D562G552-Q556 WeakPolarHBondContact O-CB 3.25Å; G552-Q556 PolarHBondContact O-N 3.16Å; R553-Q556 PolarHBondContact O-N 2.88Å; Q556-H558 VanDerWaalsContact C-N 3.35Å; Q556-H558 PolarHBondContact O-N 3.08Å; Q556-L559 PolarHBondContact O-N 3.16Å; Q556-S560 WeakPolarHBondContact O-CA 3.09Å; Q556-S560 PolarHBondContact O-N 2.95Å; Q556-D562 PolarHBondContact NE2-OD1 2.92Å
557L95.1Very high95Very high140 Ų14086.1 Ų86.173%0.73344%0.443SS*.Hα-helixtrans-61.9-38.1177.3-179.163.7000112.8R553 M554 C555R553-L557 PolarHBondContact O-N 3.38Å; M554-L557 PolarHBondContact O-N 2.99Å; C555-L557 VanDerWaalsContact C-N 3.32Å; C555-L557 PolarHBondContact O-N 3.29Å
558H95.3Very high95Very high99 Ų9988.3 Ų88.346%0.45845%0.446SS..Hα-helixtrans-87.1-21-179.2-75.6-67.4000114.6M554 C555 Q556 V577M554-H558 PolarHBondContact O-CD2 3.14Å; M554-H558 PolarHBondContact O-N 3.42Å; C555-H558 PolarHBondContact O-N 3.34Å; Q556-H558 VanDerWaalsContact C-N 3.35Å; Q556-H558 PolarHBondContact O-N 3.08Å; H558-V577 HydrophobicContact CB-CB 4.38Å; H558-V577 HydrophobicContact CB-CG1 3.73Å; H558-V577 HydrophobicContact CB-CG2 3.67Å
559L93.9Very high95Very high55 Ų5589.3 Ų89.329%0.28845%0.453SS..Hα-helixtrans-110.8-0.8-177.4-60.7178.1000114.4C555 Q556 H561 Q573 V577C555-L559 WeakPolarHBondContact O-CB 3.35Å; C555-L559 WeakPolarHBondContact O-CG 3.36Å; C555-L559 PolarHBondContact O-N 2.85Å; Q556-L559 PolarHBondContact O-N 3.16Å; L559-H561 HydrophobicContact CB-CB 4.1Å; L559-H561 PolarHBondContact O-N 2.96Å; L559-Q573 HydrophobicContact CD1-CB 3.61Å; L559-Q573 HydrophobicContact CD1-CG 3.6Å; L559-V577 HydrophobicContact CD1-CG2 3.9Å; L559-V577 HydrophobicContact CD2-CG2 3.84Å; L559-V577 HydrophobicContact CG-CG2 3.58Å
560S87.6Confident95Very high115 Ų11582.9 Ų82.980%0.80443%0.425SS*.THydrogen-bonded Turntrans51.535.5-175.5-58.70000113.5Q556Q556-S560 WeakPolarHBondContact O-CA 3.09Å; Q556-S560 PolarHBondContact O-N 2.95Å
561H85.5Confident95Very high43 Ų4383 Ų8320%0.19943%0.428CS..  trans-104.386.5-165.1-179.1-81.7000112.7L559 K563 Q573L559-H561 HydrophobicContact CB-CB 4.1Å; L559-H561 PolarHBondContact O-N 2.96Å; H561-K563 VanDerWaalsContact C-N 3.27Å; H561-K563 PolarHBondContact O-N 3.35Å; H561-Q573 PolarHBondContact CD2-NE2 2.77Å; H561-Q573 PolarHBondContact CE1-NE2 2.95Å; H561-Q573 VanDerWaalsContact CE1-NE2 3.26Å; H561-Q573 VanDerWaalsContact CG-NE2 3.31Å; H561-Q573 PolarHBondContact ND1-NE2 3.27Å; H561-Q573 VanDerWaalsContact ND1-NE2 3.19Å; H561-Q573 PolarHBondContact NE2-NE2 2.94Å
562D88.8Confident95Very high140 Ų14085.9 Ų85.975%0.74944%0.439SS*.  trans-84.627.6-174.6-159.741.3000115.3Q556Q556-D562 PolarHBondContact NE2-OD1 2.92Å
563K88.7Confident95Very high148 Ų14886.5 Ų86.564%0.64344%0.442SS*.SBendtrans-98.8146174.7-51.9177.2-176.7173.50110.1H561 Q565H561-K563 VanDerWaalsContact C-N 3.27Å; H561-K563 PolarHBondContact O-N 3.35Å; K563-Q565 PolarHBondContact O-N 3.17Å
564P92.1Very high95Very high129 Ų12980.5 Ų80.584%0.83842%0.422SS*.PPolyproline II helixtrans-54.7126.3177.822.7-34.3000111.5
565Q94.9Very high95.1Very high52 Ų5279.6 Ų79.624%0.24342%0.423CS..PPolyproline II helixtrans-95.1134.2-175.2-58.3162.9-47.100111.3G552 K563 I570G552-Q565 PolarHBondContact O-NE2 3.4Å; G552-Q565 PolarHBondContact O-OE1 3.28Å; K563-Q565 PolarHBondContact O-N 3.17Å; Q565-I570 HydrophobicContact CB-CD1 3.96Å; Q565-I570 HydrophobicContact CB-CG1 3.56Å; Q565-I570 HydrophobicContact CG-CG1 4.25Å
566T97.9Very high95Very high90 Ų9083.1 Ų83.155%0.55244%0.441SS*.PPolyproline II helixtrans-85.5158.2163.766.20000109.8L568 L569 I570T566-L568 PolarHBondContact O-N 3.16Å; T566-L569 PolarHBondContact O-N 3.14Å; T566-L569 PolarHBondContact OG1-N 2.84Å; T566-I570 WeakPolarHBondContact O-CG1 3.41Å; T566-I570 PolarHBondContact O-N 3.28Å
567K98.5Very high95.1Very high98 Ų9880.9 Ų80.943%0.42643%0.432SS..Hα-helixtrans-50.1-44.5175.8-70.3-173.3175.5-174.60112.6N545 F548 I570 L571N545-K567 WeakPolarHBondContact OD1-CE 3.38Å; N545-K567 PolarHBondContact OD1-NZ 2.88Å; F548-K567 HydrophobicContact CD1-CB 4.13Å; F548-K567 HydrophobicContact CD1-CG 4.02Å; F548-K567 HydrophobicContact CD2-CD 4Å; F548-K567 HydrophobicContact CD2-CG 4.14Å; F548-K567 HydrophobicContact CE1-CB 3.76Å; F548-K567 HydrophobicContact CE1-CG 4.09Å; F548-K567 WeakPolarHBondContact CE1-O 3.47Å; F548-K567 HydrophobicContact CE2-CB 4.41Å; F548-K567 HydrophobicContact CE2-CD 3.92Å; F548-K567 HydrophobicContact CE2-CG 4.21Å; F548-K567 HydrophobicContact CG-CD 4.41Å; F548-K567 HydrophobicContact CG-CG 4.05Å; F548-K567 HydrophobicContact CZ-CB 3.92Å; F548-K567 HydrophobicContact CZ-CD 4.26Å; F548-K567 HydrophobicContact CZ-CG 4.18Å; K567-I570 PolarHBondContact O-N 3.49Å; K567-L571 WeakPolarHBondContact O-CG 3.32Å; K567-L571 PolarHBondContact O-N 2.96Å; K567-L571 VanDerWaalsContact O-N 3.13Å
568L98.1Very high95.3Very high111 Ų11178.6 Ų78.658%0.58142%0.419SS*.Hα-helixtrans-62.4-42.3177.3-178.260.6000112.2T566 I570 L571 H572T566-L568 PolarHBondContact O-N 3.16Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 3.12Å; L568-L571 PolarHBondContact O-N 3.18Å; L568-H572 WeakPolarHBondContact CD1-NE2 3.43Å; L568-H572 PolarHBondContact O-CD2 3.02Å; L568-H572 PolarHBondContact O-N 2.83Å; L568-H572 VanDerWaalsContact O-N 3.1Å
569L97.5Very high95.4Very high58 Ų5878.5 Ų78.530%0.30442%0.422SS..Hα-helixtrans-64.6-38.6176.2-175.259.2000111.8T566 L571 H572 Q573T566-L569 PolarHBondContact O-N 3.14Å; T566-L569 PolarHBondContact OG1-N 2.84Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 3.05Å; L569-H572 PolarHBondContact O-N 2.84Å; L569-Q573 HydrophobicContact CD1-CG 4.09Å; L569-Q573 HydrophobicContact CG-CG 4.24Å; L569-Q573 VanDerWaalsContact O-CB 3.3Å; L569-Q573 WeakPolarHBondContact O-CB 3.29Å; L569-Q573 VanDerWaalsContact O-CG 3.25Å; L569-Q573 WeakPolarHBondContact O-CG 3.3Å; L569-Q573 PolarHBondContact O-N 2.65Å
570I98.1Very high95.5Very high11 Ų1179.7 Ų79.76%0.05643%0.428CS..Hα-helixtrans-61-42.5175.8-61.9173000110.6F548 L551 Q565 T566 K567 L568 Q573 A574F548-I570 HydrophobicContact CD1-CB 4.13Å; F548-I570 HydrophobicContact CD1-CD1 4.07Å; F548-I570 HydrophobicContact CD1-CG2 4.06Å; F548-I570 HydrophobicContact CE1-CB 4.3Å; F548-I570 HydrophobicContact CE1-CG2 4.39Å; F548-I570 WeakPolarHBondContact O-CD1 3.44Å; L551-I570 HydrophobicContact CB-CG2 4.02Å; L551-I570 HydrophobicContact CD2-CG2 3.84Å; L551-I570 HydrophobicContact CG-CG2 3.67Å; Q565-I570 HydrophobicContact CB-CD1 3.96Å; Q565-I570 HydrophobicContact CB-CG1 3.56Å; Q565-I570 HydrophobicContact CG-CG1 4.25Å; T566-I570 WeakPolarHBondContact O-CG1 3.41Å; T566-I570 PolarHBondContact O-N 3.28Å; K567-I570 PolarHBondContact O-N 3.49Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 3.12Å; I570-Q573 PolarHBondContact O-N 2.91Å; I570-A574 WeakPolarHBondContact O-CB 3.47Å; I570-A574 PolarHBondContact O-N 3.36Å
571L98.5Very high96Very high87 Ų8777.4 Ų77.446%0.45541%0.407SS..Hα-helixtrans-63.7-46.9176.7-64.3178.1000112.3F548 K567 L568 L569 Q573 A574 V575F548-L571 HydrophobicContact CE1-CD2 3.93Å; F548-L571 HydrophobicContact CE1-CG 3.96Å; F548-L571 HydrophobicContact CZ-CD1 4.3Å; F548-L571 HydrophobicContact CZ-CD2 3.99Å; F548-L571 HydrophobicContact CZ-CG 4.11Å; K567-L571 WeakPolarHBondContact O-CG 3.32Å; K567-L571 PolarHBondContact O-N 2.96Å; K567-L571 VanDerWaalsContact O-N 3.13Å; L568-L571 PolarHBondContact O-N 3.18Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 3.05Å; L571-Q573 VanDerWaalsContact C-N 3.32Å; L571-Q573 PolarHBondContact O-N 2.81Å; L571-A574 PolarHBondContact O-N 3.18Å; L571-V575 WeakPolarHBondContact O-CG2 3.27Å; L571-V575 PolarHBondContact O-N 3.13Å; L571-V575 VanDerWaalsContact O-N 3.13Å
572H97.7Very high96.5Very high120 Ų12079.9 Ų79.956%0.55642%0.418SS*.Hα-helixtrans-62.6-38.9176-71.4-60.7000112.4L568 L569 N576L568-H572 WeakPolarHBondContact CD1-NE2 3.43Å; L568-H572 PolarHBondContact O-CD2 3.02Å; L568-H572 PolarHBondContact O-N 2.83Å; L568-H572 VanDerWaalsContact O-N 3.1Å; L569-H572 PolarHBondContact O-N 2.84Å; H572-N576 WeakPolarHBondContact O-CB 3.4Å; H572-N576 PolarHBondContact O-N 2.65Å; H572-N576 VanDerWaalsContact O-N 3.13Å
573Q97.4Very high96.8Very high13 Ų1376.8 Ų76.86%0.06140%0.399CS..Hα-helixtrans-67.7-40176.6-74.6-176.3-1000111.9C555 L559 H561 L569 I570 L571 N576 V577C555-Q573 HydrophobicContact CB-CB 3.91Å; L559-Q573 HydrophobicContact CD1-CB 3.61Å; L559-Q573 HydrophobicContact CD1-CG 3.6Å; H561-Q573 PolarHBondContact CD2-NE2 2.77Å; H561-Q573 PolarHBondContact CE1-NE2 2.95Å; H561-Q573 VanDerWaalsContact CE1-NE2 3.26Å; H561-Q573 VanDerWaalsContact CG-NE2 3.31Å; H561-Q573 PolarHBondContact ND1-NE2 3.27Å; H561-Q573 VanDerWaalsContact ND1-NE2 3.19Å; H561-Q573 PolarHBondContact NE2-NE2 2.94Å; L569-Q573 HydrophobicContact CD1-CG 4.09Å; L569-Q573 HydrophobicContact CG-CG 4.24Å; L569-Q573 VanDerWaalsContact O-CB 3.3Å; L569-Q573 WeakPolarHBondContact O-CB 3.29Å; L569-Q573 VanDerWaalsContact O-CG 3.25Å; L569-Q573 WeakPolarHBondContact O-CG 3.3Å; L569-Q573 PolarHBondContact O-N 2.65Å; I570-Q573 PolarHBondContact O-N 2.91Å; L571-Q573 VanDerWaalsContact C-N 3.32Å; L571-Q573 PolarHBondContact O-N 2.81Å; Q573-N576 PolarHBondContact O-N 2.92Å; Q573-V577 WeakPolarHBondContact O-CG2 3.34Å; Q573-V577 PolarHBondContact O-N 3.42Å
574A98.4Very high97Very high12 Ų1273 Ų7310%0.09938%0.384CS..Hα-helixtrans-61.1-47.3176.800000111.9L551 C555 I570 L571 N576 V577 I578L551-A574 HydrophobicContact CD1-CB 4Å; L551-A574 HydrophobicContact CD2-CB 4.18Å; L551-A574 HydrophobicContact CG-CB 4.28Å; C555-A574 WeakPolarHBondContact SG-CA 3.34Å; C555-A574 PolarHBondContact SG-N 3.41Å; C555-A574 VanDerWaalsContact SG-N 3.44Å; I570-A574 WeakPolarHBondContact O-CB 3.47Å; I570-A574 PolarHBondContact O-N 3.36Å; L571-A574 PolarHBondContact O-N 3.18Å; A574-N576 VanDerWaalsContact C-N 3.33Å; A574-N576 PolarHBondContact O-N 3.45Å; A574-V577 PolarHBondContact O-N 3.37Å; A574-I578 VanDerWaalsContact O-CG1 3.31Å; A574-I578 WeakPolarHBondContact O-CG1 3.49Å; A574-I578 PolarHBondContact O-N 2.73Å
575V98.4Very high97.1Very high86 Ų8671 Ų7152%0.52137%0.369SS..Hα-helixtrans-59.3-44.6175.5173.80000111L571 I578 L579L571-V575 WeakPolarHBondContact O-CG2 3.27Å; L571-V575 PolarHBondContact O-N 3.13Å; L571-V575 VanDerWaalsContact O-N 3.13Å; V575-I578 PolarHBondContact O-N 2.83Å; V575-L579 HydrophobicContact CG1-CD1 3.86Å; V575-L579 HydrophobicContact CG1-CG 4.41Å; V575-L579 WeakPolarHBondContact O-CG 3.38Å; V575-L579 PolarHBondContact O-N 2.98Å
576N97.3Very high97Very high76 Ų7674.8 Ų74.841%0.40638%0.381SS..Hα-helixtrans-63.3-42.1177.5-17138.5000112.2H572 Q573 A574 N580H572-N576 WeakPolarHBondContact O-CB 3.4Å; H572-N576 PolarHBondContact O-N 2.65Å; H572-N576 VanDerWaalsContact O-N 3.13Å; Q573-N576 PolarHBondContact O-N 2.92Å; A574-N576 VanDerWaalsContact C-N 3.33Å; A574-N576 PolarHBondContact O-N 3.45Å; N576-N580 WeakPolarHBondContact O-CB 3.41Å; N576-N580 PolarHBondContact O-N 2.7Å; N576-N580 VanDerWaalsContact O-N 3.09Å; N576-N580 PolarHBondContact O-ND2 2.95Å; N576-N580 PolarHBondContact OD1-ND2 2.6Å
577V98.1Very high96.6Very high15 Ų1576 Ų769%0.09138%0.38CS..Hα-helixtrans-62.4-46.5176.4168.20000111.1H558 L559 Q573 A574 N580 L581H558-V577 HydrophobicContact CB-CB 4.38Å; H558-V577 HydrophobicContact CB-CG1 3.73Å; H558-V577 HydrophobicContact CB-CG2 3.67Å; L559-V577 HydrophobicContact CD1-CG2 3.9Å; L559-V577 HydrophobicContact CD2-CG2 3.84Å; L559-V577 HydrophobicContact CG-CG2 3.58Å; Q573-V577 WeakPolarHBondContact O-CG2 3.34Å; Q573-V577 PolarHBondContact O-N 3.42Å; A574-V577 PolarHBondContact O-N 3.37Å; V577-N580 PolarHBondContact O-N 2.95Å; V577-L581 HydrophobicContact CG1-CD1 3.69Å; V577-L581 HydrophobicContact CG1-CG 4.36Å; V577-L581 WeakPolarHBondContact O-CB 3.43Å; V577-L581 VanDerWaalsContact O-CG 3.29Å; V577-L581 WeakPolarHBondContact O-CG 3.49Å; V577-L581 PolarHBondContact O-N 3.45Å
578I98.3Very high95.9Very high93 Ų9379.5 Ų79.548%0.47739%0.391SS..Hα-helixtrans-59-53.2178.2-68.9164.9000110.3A574 V575 N580 L581 E582A574-I578 VanDerWaalsContact O-CG1 3.31Å; A574-I578 WeakPolarHBondContact O-CG1 3.49Å; A574-I578 PolarHBondContact O-N 2.73Å; V575-I578 PolarHBondContact O-N 2.83Å; I578-N580 VanDerWaalsContact C-N 3.34Å; I578-N580 PolarHBondContact O-N 2.77Å; I578-L581 PolarHBondContact O-N 3.06Å; I578-L581 VanDerWaalsContact O-N 3.14Å; I578-E582 HydrophobicContact CG2-CG 4.14Å; I578-E582 WeakPolarHBondContact CG2-OE1 3.35Å; I578-E582 WeakPolarHBondContact O-CB 3.43Å; I578-E582 WeakPolarHBondContact O-CG 3.34Å; I578-E582 PolarHBondContact O-N 3.2Å
579L97.8Very high94.8Very high96 Ų9680 Ų8050%0.50339%0.394SS..Hα-helixtrans-59.9-40.2-178.3-69.1171.6000113V575 Q583V575-L579 HydrophobicContact CG1-CD1 3.86Å; V575-L579 HydrophobicContact CG1-CG 4.41Å; V575-L579 WeakPolarHBondContact O-CG 3.38Å; V575-L579 PolarHBondContact O-N 2.98Å; L579-Q583 WeakPolarHBondContact O-CB 3.46Å; L579-Q583 PolarHBondContact O-N 3.13Å
580N96.6Very high93.4Very high81 Ų8184.2 Ų84.243%0.43342%0.416SS..Hα-helixtrans-70.2-34.2177.2-76.3-64.1000113N576 V577 I578 Q584N576-N580 WeakPolarHBondContact O-CB 3.41Å; N576-N580 PolarHBondContact O-N 2.7Å; N576-N580 VanDerWaalsContact O-N 3.09Å; N576-N580 PolarHBondContact O-ND2 2.95Å; N576-N580 PolarHBondContact OD1-ND2 2.6Å; V577-N580 PolarHBondContact O-N 2.95Å; I578-N580 VanDerWaalsContact C-N 3.34Å; I578-N580 PolarHBondContact O-N 2.77Å; N580-Q584 WeakPolarHBondContact O-CB 3.45Å; N580-Q584 WeakPolarHBondContact O-CG 3.3Å; N580-Q584 PolarHBondContact O-N 3.42Å; N580-Q584 VanDerWaalsContact O-N 3.16Å; N580-Q584 PolarHBondContact O-NE2 3.48Å
581L96.4Very high91.5Very high66 Ų6687.5 Ų87.535%0.34643%0.434SS..Hα-helixtrans-75.1-42175.8-70.3175000111.4V577 I578 Q583 Q584 V585V577-L581 HydrophobicContact CG1-CD1 3.69Å; V577-L581 HydrophobicContact CG1-CG 4.36Å; V577-L581 WeakPolarHBondContact O-CB 3.43Å; V577-L581 VanDerWaalsContact O-CG 3.29Å; V577-L581 WeakPolarHBondContact O-CG 3.49Å; V577-L581 PolarHBondContact O-N 3.45Å; I578-L581 PolarHBondContact O-N 3.06Å; I578-L581 VanDerWaalsContact O-N 3.14Å; L581-Q583 PolarHBondContact O-N 3.3Å; L581-Q584 PolarHBondContact O-N 3.21Å; L581-V585 WeakPolarHBondContact O-CB 3.33Å; L581-V585 VanDerWaalsContact O-CG2 3.3Å; L581-V585 WeakPolarHBondContact O-CG2 3.45Å; L581-V585 PolarHBondContact O-N 3.39Å
582E96.1Very high89.8Confident95 Ų9588.2 Ų88.244%0.44444%0.444SS..Hα-helixtrans-58.9-44.5173.4-76.8-176-179.200112I578 V585 R586I578-E582 HydrophobicContact CG2-CG 4.14Å; I578-E582 WeakPolarHBondContact CG2-OE1 3.35Å; I578-E582 WeakPolarHBondContact O-CB 3.43Å; I578-E582 WeakPolarHBondContact O-CG 3.34Å; I578-E582 PolarHBondContact O-N 3.2Å; E582-V585 PolarHBondContact O-N 3.06Å; E582-R586 VanDerWaalsContact O-CB 3.28Å; E582-R586 WeakPolarHBondContact O-CB 3.36Å; E582-R586 PolarHBondContact O-N 3.28Å
583Q95.1Very high87.8Confident75 Ų7590.7 Ų90.735%0.3545%0.453SS..Hα-helixtrans-64.5-43.1176.8-178.759.416.700111.6L579 L581 V585 R586 E587L579-Q583 WeakPolarHBondContact O-CB 3.46Å; L579-Q583 PolarHBondContact O-N 3.13Å; L581-Q583 PolarHBondContact O-N 3.3Å; Q583-V585 VanDerWaalsContact C-N 3.33Å; Q583-V585 PolarHBondContact O-N 3.15Å; Q583-R586 WeakPolarHBondContact O-CB 3.49Å; Q583-R586 PolarHBondContact O-N 3.24Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.33Å; Q583-E587 PolarHBondContact NE2-OE1 3.4Å; Q583-E587 WeakPolarHBondContact O-CB 3.49Å; Q583-E587 WeakPolarHBondContact O-CG 3.33Å; Q583-E587 PolarHBondContact O-N 3.07Å
584Q93.3Very high86Confident69 Ų6992.3 Ų92.332%0.32247%0.469SS..Hα-helixtrans-61.4-38.2173.3-84.6-177.572.700113.4N580 L581 R588N580-Q584 WeakPolarHBondContact O-CB 3.45Å; N580-Q584 WeakPolarHBondContact O-CG 3.3Å; N580-Q584 PolarHBondContact O-N 3.42Å; N580-Q584 VanDerWaalsContact O-N 3.16Å; N580-Q584 PolarHBondContact O-NE2 3.48Å; L581-Q584 PolarHBondContact O-N 3.21Å; Q584-R588 WeakPolarHBondContact O-CB 3.11Å; Q584-R588 VanDerWaalsContact O-CG 3.29Å; Q584-R588 WeakPolarHBondContact O-CG 3.44Å; Q584-R588 PolarHBondContact O-N 2.89Å
585V94.6Very high84Confident86 Ų8694.2 Ų94.252%0.52148%0.484SS..Hα-helixtrans-67.6-43.4175.1167.30000110.1L581 E582 Q583 N589L581-V585 WeakPolarHBondContact O-CB 3.33Å; L581-V585 VanDerWaalsContact O-CG2 3.3Å; L581-V585 WeakPolarHBondContact O-CG2 3.45Å; L581-V585 PolarHBondContact O-N 3.39Å; E582-V585 PolarHBondContact O-N 3.06Å; Q583-V585 VanDerWaalsContact C-N 3.33Å; Q583-V585 PolarHBondContact O-N 3.15Å; V585-N589 WeakPolarHBondContact O-CB 3.25Å; V585-N589 PolarHBondContact O-N 3.23Å; V585-N589 VanDerWaalsContact O-N 3.08Å; V585-N589 PolarHBondContact O-ND2 3.23Å
586R92.3Very high82.2Confident133 Ų13393.8 Ų93.850%0.50248%0.484SS..Hα-helixtrans-58.7-49.7176-172.3179.5-65.1119.33.9111.2E582 Q583 L590E582-R586 VanDerWaalsContact O-CB 3.28Å; E582-R586 WeakPolarHBondContact O-CB 3.36Å; E582-R586 PolarHBondContact O-N 3.28Å; Q583-R586 WeakPolarHBondContact O-CB 3.49Å; Q583-R586 PolarHBondContact O-N 3.24Å; R586-L590 WeakPolarHBondContact O-CB 3.33Å; R586-L590 PolarHBondContact O-N 3.14Å; R586-L590 VanDerWaalsContact O-N 3.16Å
587E89.3Confident80.2Confident114 Ų11496.1 Ų96.153%0.53350%0.496SS..Hα-helixtrans-63.6-49178.5-73.7171.2-171.300112.8Q583 N589 L590Q583-E587 WeakPolarHBondContact CG-OE1 3.33Å; Q583-E587 PolarHBondContact NE2-OE1 3.4Å; Q583-E587 WeakPolarHBondContact O-CB 3.49Å; Q583-E587 WeakPolarHBondContact O-CG 3.33Å; Q583-E587 PolarHBondContact O-N 3.07Å; E587-N589 VanDerWaalsContact C-N 3.28Å; E587-N589 PolarHBondContact O-N 3.49Å; E587-L590 PolarHBondContact O-N 3.45Å
588R85.1Confident78.2Confident173 Ų173100.9 Ų100.965%0.65352%0.515SS*.Hα-helixtrans-64.5-31.1-179-73.4-178-177.2112.87.7113Q584Q584-R588 WeakPolarHBondContact O-CB 3.11Å; Q584-R588 VanDerWaalsContact O-CG 3.29Å; Q584-R588 WeakPolarHBondContact O-CG 3.44Å; Q584-R588 PolarHBondContact O-N 2.89Å
589N75.1Confident76.3Confident121 Ų121105 Ų10565%0.64753%0.525SS*.Hα-helixtrans-84.7-14.4177.1-74.3-73000113.9V585 E587 N591V585-N589 WeakPolarHBondContact O-CB 3.25Å; V585-N589 PolarHBondContact O-N 3.23Å; V585-N589 VanDerWaalsContact O-N 3.08Å; V585-N589 PolarHBondContact O-ND2 3.23Å; E587-N589 VanDerWaalsContact C-N 3.28Å; E587-N589 PolarHBondContact O-N 3.49Å; N589-N591 VanDerWaalsContact C-N 3.29Å; N589-N591 PolarHBondContact O-N 3.02Å
590L67.7Low74.3Confident146 Ų146108.2 Ų108.276%0.76453%0.53SS*.SBendtrans-71.7-17.7-171.5-149.966.8000114.3R586 E587R586-L590 WeakPolarHBondContact O-CB 3.33Å; R586-L590 PolarHBondContact O-N 3.14Å; R586-L590 VanDerWaalsContact O-N 3.16Å; E587-L590 PolarHBondContact O-N 3.45Å
591N58.8Low72.2Confident81 Ų81109.9 Ų109.943%0.43354%0.535SS..  trans-154.590.3175.7-164.3-21.6000114.5N589 K593 A594 A595N589-N591 VanDerWaalsContact C-N 3.29Å; N589-N591 PolarHBondContact O-N 3.02Å; N591-K593 PolarHBondContact O-N 3.05Å; N591-K593 WeakPolarHBondContact OD1-CA 3.4Å; N591-K593 WeakPolarHBondContact OD1-CB 3.46Å; N591-K593 PolarHBondContact OD1-N 3.05Å; N591-A594 HydrophobicContact CB-CB 3.9Å; N591-A594 PolarHBondContact O-N 3.11Å; N591-A594 PolarHBondContact OD1-N 3.02Å; N591-A595 PolarHBondContact O-N 3.18Å
592P61.8Low70.2Confident101 Ų101111 Ų11166%0.65654%0.539SS*.Hα-helixtrans-64.3-22.2175.825.3-34.3000113.7C596P592-C596 PolarHBondContact O-N 3.33Å
593K55.8Low68Low173 Ų173113.3 Ų113.375%0.75255%0.55SS*.Hα-helixtrans-75.3-40.7175.9-68-177.6177.7178.10111.6N591 C596 L597N591-K593 PolarHBondContact O-N 3.05Å; N591-K593 WeakPolarHBondContact OD1-CA 3.4Å; N591-K593 WeakPolarHBondContact OD1-CB 3.46Å; N591-K593 PolarHBondContact OD1-N 3.05Å; K593-C596 PolarHBondContact O-N 3.21Å; K593-L597 PolarHBondContact O-N 2.94Å
594A59.4Low65.9Low47 Ų47116 Ų11639%0.38856%0.56SS.*Hα-helixtrans-66.6-41.6175.600000112.2N591 C596 L597 K598N591-A594 HydrophobicContact CB-CB 3.9Å; N591-A594 PolarHBondContact O-N 3.11Å; N591-A594 PolarHBondContact OD1-N 3.02Å; A594-C596 PolarHBondContact O-N 3.15Å; A594-L597 PolarHBondContact O-N 3Å; A594-L597 VanDerWaalsContact O-N 3.08Å; A594-K598 PolarHBondContact O-N 3.01Å
595A57.7Low63.7Low51 Ų51118 Ų11842%0.42158%0.577SS.*Hα-helixtrans-63.2-23.3175.400000113.6N591N591-A595 PolarHBondContact O-N 3.18Å
596C58.9Low61.5Low77 Ų77119.1 Ų119.152%0.5259%0.588SS.*Hα-helixtrans-89.8-27172.6-158.40000113.1P592 K593 A594P592-C596 PolarHBondContact O-N 3.33Å; K593-C596 PolarHBondContact O-N 3.21Å; A594-C596 PolarHBondContact O-N 3.15Å
597L55.4Low59.4Low125 Ų125116 Ų11665%0.65460%0.597SS**Hα-helixtrans-69.8-47174.6-138.680000111K593 A594 R599 R600 E601K593-L597 PolarHBondContact O-N 2.94Å; A594-L597 PolarHBondContact O-N 3Å; A594-L597 VanDerWaalsContact O-N 3.08Å; L597-R599 PolarHBondContact O-N 3.07Å; L597-R600 CarbonylContact O-C 3.6Å; L597-R600 WeakPolarHBondContact O-CA 3.47Å; L597-R600 WeakPolarHBondContact O-CB 3.4Å; L597-R600 PolarHBondContact O-N 3.48Å; L597-E601 PolarHBondContact O-N 3.43Å
598K56.7Low57.4Low115 Ų115116.4 Ų116.450%0.561%0.608SS.*Hα-helixtrans-59.1-47.4-177.7-166.5-176175-178.40112.3A594 R600 E601 E602A594-K598 PolarHBondContact O-N 3.01Å; K598-R600 PolarHBondContact O-N 3.2Å; K598-E601 HydrophobicContact CG-CG 4.42Å; K598-E601 WeakPolarHBondContact O-CG 3.42Å; K598-E601 PolarHBondContact O-N 3.45Å; K598-E602 VanDerWaalsContact C-OE1 3.3Å; K598-E602 WeakPolarHBondContact CE-OE2 3.36Å; K598-E602 VanDerWaalsContact O-CG 3.32Å; K598-E602 WeakPolarHBondContact O-CG 3.39Å; K598-E602 PolarHBondContact O-N 3.41Å
599R58.2Low55.5Low179 Ų179115 Ų11568%0.67562%0.618SS**Hα-helixtrans-58.7-17.7174.2-81.2-168-66.4152-2.1114.6L597 E602L597-R599 PolarHBondContact O-N 3.07Å; R599-E602 VanDerWaalsContact CA-OE1 3.22Å; R599-E602 WeakPolarHBondContact CA-OE1 3.43Å; R599-E602 PolarHBondContact N-OE1 2.57Å
600R56Low53.8Low165 Ų165112.9 Ų112.962%0.62363%0.625SS**Hα-helixtrans-98.3-15.1175.7-156.1-179.2-169.1-161.33.3113.3L597 K598 K604L597-R600 CarbonylContact O-C 3.6Å; L597-R600 WeakPolarHBondContact O-CA 3.47Å; L597-R600 WeakPolarHBondContact O-CB 3.4Å; L597-R600 PolarHBondContact O-N 3.48Å; K598-R600 PolarHBondContact O-N 3.2Å; R600-K604 WeakPolarHBondContact O-CD 3.02Å; R600-K604 VanDerWaalsContact O-CG 3.27Å; R600-K604 WeakPolarHBondContact O-CG 3.44Å
601E52.4Low52.2Low115 Ų115115.5 Ų115.554%0.53763%0.633SS.*Hα-helixtrans-84.2-41.2172.196.9-165.1-147.500110.5L597 K598 E603 K604 V605L597-E601 PolarHBondContact O-N 3.43Å; K598-E601 HydrophobicContact CG-CG 4.42Å; K598-E601 WeakPolarHBondContact O-CG 3.42Å; K598-E601 PolarHBondContact O-N 3.45Å; E601-E603 VanDerWaalsContact C-N 3.33Å; E601-E603 PolarHBondContact O-N 2.85Å; E601-K604 PolarHBondContact O-N 3.26Å; E601-V605 PolarHBondContact O-N 3.23Å
602E54.1Low51.1Low90 Ų90115.9 Ų115.942%0.42165%0.648SS.*Hα-helixtrans-72.3-24.9-179.959.9-144.815800113K598 R599 K604K598-E602 VanDerWaalsContact C-OE1 3.3Å; K598-E602 WeakPolarHBondContact CE-OE2 3.36Å; K598-E602 VanDerWaalsContact O-CG 3.32Å; K598-E602 WeakPolarHBondContact O-CG 3.39Å; K598-E602 PolarHBondContact O-N 3.41Å; R599-E602 VanDerWaalsContact CA-OE1 3.22Å; R599-E602 WeakPolarHBondContact CA-OE1 3.43Å; R599-E602 PolarHBondContact N-OE1 2.57Å; E602-K604 VanDerWaalsContact C-N 3.33Å
603E50.8Low50.4Low144 Ų144116.7 Ų116.767%0.67365%0.653SS**Hα-helixtrans-66.8-30165-169.7-170.9-174.300112.7E601E601-E603 VanDerWaalsContact C-N 3.33Å; E601-E603 PolarHBondContact O-N 2.85Å
604K51Low49.6Very low131 Ų131117.2 Ų117.257%0.5766%0.66SS**Hα-helixtrans-91.9-32.4-172.7-74.2-178.8-179.4-56.80114.1R600 E601 E602R600-K604 WeakPolarHBondContact O-CD 3.02Å; R600-K604 VanDerWaalsContact O-CG 3.27Å; R600-K604 WeakPolarHBondContact O-CG 3.44Å; E601-K604 PolarHBondContact O-N 3.26Å; E602-K604 VanDerWaalsContact C-N 3.33Å
605V45.8Very low48.6Very low112 Ų112123.4 Ų123.468%0.67968%0.681SS**Hα-helixtrans-76.9-23.9-179.678.80000112.6E601 G607E601-V605 PolarHBondContact O-N 3.23Å; V605-G607 PolarHBondContact O-N 3.44Å
606S49.4Very low47.8Very low108 Ų108128.9 Ų128.976%0.75570%0.703SS**THydrogen-bonded Turntrans-73.3-8.2178.9-167.60000114.7
607G47.6Very low47.3Very low67 Ų67131.1 Ų131.169%0.69172%0.716SS**THydrogen-bonded Turntrans-103.20.5-174.600000116.3V605V605-G607 PolarHBondContact O-N 3.44Å
608V48.5Very low46.3Very low123 Ų123129 Ų12975%0.74572%0.724SS**SBendtrans-125.310.9-163.9-176.10000113.6
609V45.3Very low45.1Very low143 Ų143127 Ų12787%0.86774%0.736SS**SBendtrans-13388171.6-173.70000110
610G37.8Very low44.4Very low77 Ų77127.6 Ų127.679%0.79475%0.746SS**  trans168.344.6-178.700000116.2A612G610-A612 PolarHBondContact O-N 3.4Å
611E35.3Very low44.2Very low201 Ų201125 Ų12594%0.93975%0.751SS**  trans-73.2121.1171.7-77.1-149.9152.700112.2
612A34.3Very low43.8Very low90 Ų90125 Ų12574%0.74476%0.764SS**  trans-151.5107.2154.700000108.5G610G610-A612 PolarHBondContact O-N 3.4Å
613P47.2Very low43.5Very low117 Ų117129.3 Ų129.376%0.7679%0.786SS**  trans-83.8123.1-17331-33.2000112
614M39.4Very low43.2Very low185 Ų185125.8 Ų125.891%0.91179%0.788SS**  trans-129.4111.7165.9-82.9-65.7160.100111.9
615Q38.7Very low42.7Very low177 Ų177123.1 Ų123.183%0.82780%0.798SS**  trans-53.6143.3173.2-75.6153.7-900113.3
616L40.2Very low42.5Very low166 Ų166125.8 Ų125.887%0.86981%0.809SS**  177.7167.7106.2-87.3174.9000110.3
617P49.9Very low42Very low124 Ų124123.7 Ų123.781%0.80581%0.805SS**  trans-118.8168.1-146.942.8-36.1000117.5
618G33.5Very low42Very low80 Ų80129.4 Ų129.483%0.82581%0.813SS**  trans137.2133.2160.800000113.1
619G32.3Very low42Very low73 Ų73130.1 Ų130.175%0.75381%0.812SS**  cis173.6171.2-7.300000112.5
620H42.6Very low42.5Very low191 Ų191128.2 Ų128.288%0.88480%0.803SS**  trans72.7155.2174.5-96.5-106.9000117
621P51.3Low43Very low110 Ų110131.2 Ų131.271%0.71481%0.806SS**  -137.5-176.4-109.641-21.6000116.1
622S45.5Very low43.5Very low117 Ų117124.7 Ų124.782%0.81879%0.793SS**  trans-74.7128.1173.8-178.10000113.5
623M48.1Very low43.8Very low179 Ų179129 Ų12988%0.88280%0.797SS**  trans-142.3143.9145.3-85174.461.100105.8
624G44.2Very low43.6Very low70 Ų70135.1 Ų135.172%0.72282%0.818SS**  cis103.382.920.800000108.6
625G40.8Very low43.8Very low76 Ų76132.6 Ų132.678%0.78481%0.814SS**  trans-164.9103.7-174.200000111.6
626D39.8Very low44.1Very low167 Ų167130.3 Ų130.389%0.89381%0.813SS**  trans-71.5153.6178.5-73.4-86.5000113.6
627G40.3Very low44.3Very low65 Ų65128.3 Ų128.367%0.6781%0.81SS**  trans65.2116.3141.600000119.3
628H46.5Very low44Very low186 Ų186128.5 Ų128.586%0.86181%0.81SS**  -163.3129.1107.7-108.9-72.6000112.8
629N48.1Very low44.6Very low138 Ų138131.6 Ų131.674%0.73881%0.809SS**  trans-131129.7153.2174.54.4000106V631N629-V631 PolarHBondContact OD1-N 3.23Å
630P56.3Low45.4Very low104 Ų104135.5 Ų135.568%0.67581%0.813SS**  trans-135.9108.3142.532.8-17.7000112.9
631V48.8Very low45.6Very low139 Ų139131.5 Ų131.584%0.84281%0.808SS**  trans17.4117.3130.8-176.80000116.8N629N629-V631 PolarHBondContact OD1-N 3.23Å
632G45.1Very low45.2Very low65 Ų65133.2 Ų133.267%0.6782%0.815SS**  trans159.5128.3165.600000110.9
633H41.5Very low45.2Very low179 Ų179134.5 Ų134.583%0.82982%0.815SS**  cis-143.9171.7-3.1-130.7-90.3000110.7
634M42.7Very low44.9Very low246 Ų246130.5 Ų130.5100%1.21281%0.809SS**  trans-35.80170.6-66.3163.1152.400115.8

Retrieved 634 of 634 residues in 141.1 ms (Link to these results)