A0A087YDG6_POEFO Loading...

Transcription factor E2-alpha

AlphaFold DB , UniProt , Accession A0A087YDG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low50.5Low248 Ų248140.6 Ų140.6100%1.22276%0.761SS**  0151.70-74.5169.8168.500107.7
2A38.2Very low51.4Low98 Ų98139.2 Ų139.281%0.8175%0.753SS**PPolyproline II helixtrans-76.2158-171.700000112.8
3T45.6Very low52.2Low136 Ų136138.5 Ų138.583%0.83475%0.747SS**PPolyproline II helixtrans-69.6134.5165.8430000110
4V47.8Very low53Low145 Ų145137.9 Ų137.988%0.87974%0.743SS**PPolyproline II helixtrans-81.4125.8163176.80000107.3
5E47.9Very low53.5Low170 Ų170134.5 Ų134.579%0.79472%0.724SS**PPolyproline II helixtrans-79.5153.3178.5-158.1156.1-177.100109.8
6N50.4Low54.1Low151 Ų151133.7 Ų133.781%0.80771%0.712SS**  trans-96.8100.8-170.8-170.759.6000110.1K8N6-K8 PolarHBondContact O-N 3.32Å
7D53.2Low54.5Low114 Ų114130.9 Ų130.961%0.6171%0.706SS**  trans-58.989.7-171.8-70.4-31.2000113.3E9 L10D7-E9 PolarHBondContact O-N 3.45Å; D7-L10 HydrophobicContact CB-CD1 3.91Å; D7-L10 HydrophobicContact CB-CG 4.07Å; D7-L10 PolarHBondContact O-N 2.81Å
8K59.1Low54.8Low159 Ų159128.7 Ų128.769%0.69171%0.709SS**THydrogen-bonded Turntrans-69-20-175.7-159.1171.8-177.6-178.60113.4N6 L10 S11N6-K8 PolarHBondContact O-N 3.32Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.14Å; K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.44Å
9E58.2Low55.1Low161 Ų161128.8 Ų128.875%0.75271%0.705SS**Hα-helixtrans-68.1-26175.3-56-174.7167.600112D7 D12 L13D7-E9 PolarHBondContact O-N 3.45Å; E9-D12 PolarHBondContact O-N 3.34Å; E9-L13 PolarHBondContact O-N 3.33Å
10L58.1Low55.2Low103 Ų103130.3 Ų130.354%0.53970%0.704SS.*Hα-helixtrans-74-27175.6-63.8178.2000112.9D7 K8 L14D7-L10 HydrophobicContact CB-CD1 3.91Å; D7-L10 HydrophobicContact CB-CG 4.07Å; D7-L10 PolarHBondContact O-N 2.81Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.14Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å
11S59.2Low55.5Low62 Ų62132.8 Ų132.843%0.43471%0.712SS.*Hα-helixtrans-70.3-40.5172.124.20000112.1K8 L13 L14 D15K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.44Å; S11-L13 VanDerWaalsContact C-N 3.31Å; S11-L13 PolarHBondContact O-N 3.04Å; S11-L14 CarbonylContact O-C 3.56Å; S11-L14 PolarHBondContact O-N 3.43Å; S11-D15 PolarHBondContact O-N 3.1Å; S11-D15 VanDerWaalsContact O-N 3.12Å
12D61.7Low56.5Low123 Ų123126 Ų12666%0.65869%0.686SS**Hα-helixtrans-70.9-29.6-177.3-65.15.6000111.5E9 L14E9-D12 PolarHBondContact O-N 3.34Å; D12-L14 PolarHBondContact O-N 3.02Å
13L62Low56.9Low130 Ų130127.5 Ų127.568%0.68169%0.688SS**THydrogen-bonded Turntrans-68.1-12.9168.7-85.2163.6000114.5E9 S11E9-L13 PolarHBondContact O-N 3.33Å; S11-L13 VanDerWaalsContact C-N 3.31Å; S11-L13 PolarHBondContact O-N 3.04Å
14L63.4Low57.1Low131 Ų131127.4 Ų127.469%0.68669%0.687SS**THydrogen-bonded Turntrans-112.4-6-179.5-66.4174.1000113.2L10 S11 D12 F16L10-L14 WeakPolarHBondContact O-CG 3.46Å; S11-L14 CarbonylContact O-C 3.56Å; S11-L14 PolarHBondContact O-N 3.43Å; D12-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact O-CD2 3.28Å; L14-F16 WeakPolarHBondContact O-CD2 3.47Å; L14-F16 PolarHBondContact O-N 3.33Å
15D60.2Low56.9Low87 Ų87126.1 Ų126.147%0.46568%0.684SS.*  trans-87.680.9176.8-169.113.6000112.6S11 S17S11-D15 PolarHBondContact O-N 3.1Å; S11-D15 VanDerWaalsContact O-N 3.12Å; D15-S17 PolarHBondContact O-N 3.44Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 WeakPolarHBondContact OD1-CB 3.39Å; D15-S17 PolarHBondContact OD1-N 3.43Å; D15-S17 VanDerWaalsContact OD1-N 3.07Å; D15-S17 PolarHBondContact OD1-OG 3.31Å
16F63.2Low56.3Low121 Ų121125.6 Ų125.653%0.53169%0.687SS.*G310 helixtrans-64.7-7.9174.2-67.9-94.4000113.7L14 A18 M19L14-F16 VanDerWaalsContact O-CD2 3.28Å; L14-F16 WeakPolarHBondContact O-CD2 3.47Å; L14-F16 PolarHBondContact O-N 3.33Å; F16-A18 PolarHBondContact O-N 3.04Å; F16-M19 HydrophobicContact CD1-CE 3.41Å; F16-M19 VanDerWaalsContact CD1-CE 3.41Å; F16-M19 HydrophobicContact CE1-CE 3.77Å; F16-M19 HydrophobicContact CG-CE 4.26Å; F16-M19 PolarHBondContact O-N 3.26Å
17S60.3Low55.8Low87 Ų87121.2 Ų121.261%0.60868%0.677SS**G310 helixtrans-62.1-29.3-178.4-45.50000112.8D15 M19D15-S17 PolarHBondContact O-N 3.44Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 WeakPolarHBondContact OD1-CB 3.39Å; D15-S17 PolarHBondContact OD1-N 3.43Å; D15-S17 VanDerWaalsContact OD1-N 3.07Å; D15-S17 PolarHBondContact OD1-OG 3.31Å; S17-M19 VanDerWaalsContact C-N 3.3Å; S17-M19 PolarHBondContact O-N 3.02Å
18A59.7Low55.1Low91 Ų91125.4 Ų125.475%0.75269%0.689SS**G310 helixtrans-73.8-16.7176.800000114F16F16-A18 PolarHBondContact O-N 3.04Å
19M61.7Low54.4Low130 Ų130125.1 Ų125.164%0.6470%0.695SS**THydrogen-bonded Turntrans-97.6-12.3-179.9-69.4-167.9-73.700113.9F16 S17F16-M19 HydrophobicContact CD1-CE 3.41Å; F16-M19 VanDerWaalsContact CD1-CE 3.41Å; F16-M19 HydrophobicContact CE1-CE 3.77Å; F16-M19 HydrophobicContact CG-CE 4.26Å; F16-M19 PolarHBondContact O-N 3.26Å; S17-M19 VanDerWaalsContact C-N 3.3Å; S17-M19 PolarHBondContact O-N 3.02Å
20F56.6Low53.3Low158 Ų158120.8 Ų120.869%0.69369%0.694SS**  trans-134.681.9179.4-66.3-80.2000110.9P22F20-P22 WeakPolarHBondContact O-CD 3.2Å
21E61.2Low52.9Low184 Ų184122 Ų12286%0.8671%0.708SS**  trans-57.2120.3163-74.9-167.1129.100109
22P58.3Low51.7Low104 Ų104125.2 Ų125.268%0.67573%0.726SS**  trans-64.8139.4171.927.9-33.3000108.6F20 V24F20-P22 WeakPolarHBondContact O-CD 3.2Å; P22-V24 PolarHBondContact O-N 3.17Å
23P47.2Very low50.4Low131 Ų131125.7 Ų125.785%0.85173%0.733SS**  trans-64.6100.3-171.624.9-34.5000111.2S25P23-S25 PolarHBondContact O-N 3.43Å; P23-S25 VanDerWaalsContact O-N 3.15Å
24V50.3Low49.2Very low134 Ų134127.9 Ų127.981%0.81274%0.744SS**  trans-59.8117177.3-73.50000109.9P22 N26P22-V24 PolarHBondContact O-N 3.17Å; V24-N26 PolarHBondContact O-N 2.86Å; V24-N26 VanDerWaalsContact O-N 3.14Å
25S43.2Very low47.5Very low117 Ų117126 Ų12682%0.81875%0.748SS**  trans-65.9115.5176.449.40000108.8P23 G27P23-S25 PolarHBondContact O-N 3.43Å; P23-S25 VanDerWaalsContact O-N 3.15Å; S25-G27 PolarHBondContact O-N 3.04Å
26N35.1Very low46.1Very low160 Ų160127 Ų12786%0.85676%0.761SS**  trans-74.466.4-171.9-168.74.9000112.1V24V24-N26 PolarHBondContact O-N 2.86Å; V24-N26 VanDerWaalsContact O-N 3.14Å
27G39.1Very low44.6Very low58 Ų58126.1 Ų126.160%0.59877%0.771SS**  trans-76.1122.1174.800000111S25 N29S25-G27 PolarHBondContact O-N 3.04Å; G27-N29 PolarHBondContact O-N 3.21Å
28K39.9Very low43.4Very low202 Ų202129.9 Ų129.988%0.87878%0.778SS**  trans-103.979.7-165.2-170.2170.3-179.4170.30112.8
29N42.8Very low42.2Very low153 Ų153134.9 Ų134.982%0.81878%0.784SS**  trans-148.8155.117238.2-51.7000112G27G27-N29 PolarHBondContact O-N 3.21Å
30G36.2Very low40.6Very low70 Ų70132.2 Ų132.272%0.72279%0.789SS**  trans-85-179.2-160.600000117.3
31P50Low39.5Very low128 Ų128128.2 Ų128.283%0.83179%0.793SS**  trans-100.9146.2-160.837.1-34.4000115.5
32T34Very low38.9Very low131 Ų131125.8 Ų125.880%0.80479%0.793SS**  trans-156.9151.9157.8-1.90000114.6
33T34.3Very low37.8Very low133 Ų133124.4 Ų124.482%0.81680%0.798SS**  trans63.5114.7155.147.90000121.7
34L35.7Very low37.3Very low175 Ų175125.7 Ų125.792%0.91680%0.803SS**  trans-54.6153.6155.8-53.2155.6000113.2
35A29.5Very low36.7Very low93 Ų93126.1 Ų126.177%0.76980%0.8SS**  -179161.5127.300000113.8
36S29.5Very low36.4Very low106 Ų106126.8 Ų126.874%0.74179%0.791SS**  trans-11.4131.7162.251.80000118.1
37S31.9Very low36.6Very low104 Ų104127.1 Ų127.173%0.72778%0.78SS**  69.6121.553-164.90000115.7
38Q36.1Very low36.3Very low165 Ų165134.9 Ų134.977%0.77179%0.791SS**  trans88.4143149.1-121.3172.2-15.900122.1
39F32.8Very low35.7Very low196 Ų196128.5 Ų128.586%0.8678%0.783SS**  trans74.2122.8164-88.2-83.5000122
40G29.7Very low35.1Very low74 Ų74127.3 Ų127.376%0.76379%0.786SS**  trans12392.3135.800000118.9
41G32.2Very low35.2Very low74 Ų74129.3 Ų129.376%0.76379%0.789SS**  trans-83.2176.4138.300000109.9
42P48.4Very low35Very low134 Ų134128.6 Ų128.687%0.8779%0.785SS**  cis-108-175219.515.3000112.4
43G36.1Very low34.9Very low75 Ų75134.6 Ų134.677%0.77379%0.793SS**  cis114.690.611.200000111.5
44V36.7Very low34.9Very low157 Ų157131.8 Ų131.895%0.95279%0.79SS**  trans-158.5160.2173.357.90000108.6
45D38.3Very low35.1Very low143 Ų143130.2 Ų130.277%0.76579%0.791SS**  trans-122.9173.4-149-156.3-21.2000113.4
46E35.6Very low35.2Very low131 Ų131129.1 Ų129.161%0.61279%0.789SS**  trans72.1146.4161.8-57.4-157.8140.300118.1
47R40.9Very low35.4Very low167 Ų167133.2 Ų133.263%0.6380%0.796SS**  cis-161.9141.90.5-116.5168-153.2-118.1-4.6111.6
48R30.8Very low35.3Very low221 Ų221137.4 Ų137.483%0.83480%0.804SS**  trans45.1134.9142.5-58170-165.1-108.7-1.5122.7
49G29Very low35.1Very low68 Ų68136.2 Ų136.270%0.70181%0.808SS**  trans154.187.9152.100000114.2
50S30.5Very low35.1Very low128 Ų128132.4 Ų132.490%0.89581%0.806SS**  91.8131.386.9-68.80000114.9
51S37.3Very low35.2Very low112 Ų112135 Ų13578%0.78381%0.81SS**  trans-64.9169.4-177.3-22.70000114.2
52P46.3Very low35.1Very low113 Ų113137 Ų13773%0.73481%0.812SS**  -151.6157.552.837.2-14000121
53W32.3Very low34Very low257 Ų257138.6 Ų138.697%0.97381%0.805SS**  trans26129.2146.2-61.189.1000123.8
54G33.3Very low33.7Very low74 Ų74142.6 Ų142.676%0.76381%0.809SS**  trans-171.9140.5159.600000112.5
55P40.8Very low33.5Very low142 Ų142141.9 Ų141.992%0.92280%0.795SS**  trans-111.2161.8-164.540.5-35.2000117.3
56G30.3Very low33.1Very low71 Ų71138.4 Ų138.473%0.73279%0.794SS**  trans114.1143.3174.800000112.3
57E33.8Very low32.8Very low192 Ų192143.8 Ų143.890%0.89781%0.808SS**  cis-146.2153.3-4.4-59.5176.2117.400108.1
58Q31.1Very low32.2Very low191 Ų191142.1 Ų142.189%0.89382%0.816SS**  trans-142.8122.3165.8-73.7-162.12100112.8
59T31Very low32Very low140 Ų140141.2 Ų141.286%0.85982%0.819SS**  trans-129.2118.1163.154.70000108.7
60S31.7Very low32.1Very low117 Ų117146 Ų14682%0.81882%0.823SS**  trans-71.1155.1178.7-41.30000112.3
61P33.7Very low31.9Very low128 Ų128149.1 Ų149.183%0.83182%0.823SS**  trans-123.8137132.134.7-28.6000111.2
62S28.5Very low31.6Very low115 Ų115147.2 Ų147.280%0.80482%0.821SS**  trans-88.7138.1175.1-174.90000110.7
63F25.8Very low30.9Very low169 Ų169150 Ų15074%0.74183%0.829SS**  trans-107.3132.3173.4-174.1-94.6000108.8Q65F63-Q65 HydrophobicContact CE1-CB 3.74Å; F63-Q65 HydrophobicContact CZ-CB 4.18Å
64N30.1Very low30.7Very low158 Ų158149 Ų14985%0.84583%0.827SS**  trans-146.4122.2171.6-130.6-47.5000109.8
65Q32.9Very low30.5Very low142 Ų142148.9 Ų148.966%0.66481%0.814SS**  trans-114.4112.5-171.4177.9177.20.200109.5F63F63-Q65 HydrophobicContact CE1-CB 3.74Å; F63-Q65 HydrophobicContact CZ-CB 4.18Å
66G28.8Very low29.9Very low71 Ų71151 Ų15173%0.73281%0.812SS**PPolyproline II helixtrans-67.9139.9171.600000111.5
67R30.7Very low30.1Very low243 Ų243156.3 Ų156.392%0.91781%0.81SS**PPolyproline II helixtrans-96.5145.1156.1-69.3-166.8-168.8-104.75.9109.4
68V27.3Very low29.9Very low132 Ų132155.8 Ų155.880%0.881%0.807SS**PPolyproline II helixtrans-91.2151.6167.9173.50000107.8
69F27.6Very low30.1Very low203 Ų203151.7 Ų151.789%0.8980%0.8SS**  trans-124159.3156.6-147.2-93.9000109.7
70E29.3Very low30.3Very low169 Ų169153 Ų15379%0.7980%0.801SS**  trans-125.8135.4-161.3170.6-172.8168.500109.7
71E27.8Very low30.1Very low193 Ų193152.1 Ų152.190%0.90280%0.8SS**  trans-158.1142.2164.7-161.1159.2-15500114
72G29.5Very low29.9Very low71 Ų71151.7 Ų151.773%0.73280%0.8SS**  trans78.6100136.900000119.8
73L32.2Very low30.1Very low173 Ų173152.4 Ų152.491%0.90680%0.8SS**  trans-100133.4143.7-88.978000109.2
74Y28.5Very low30.6Very low235 Ų235150.8 Ų150.892%0.92281%0.806SS**  trans-144.4158.2142.4-130.7-93.9000109.9
75S29.3Very low30.7Very low72 Ų72149.2 Ų149.250%0.50380%0.802SS.*  trans-144.9127.7-177.1168.50000110.5R77S75-R77 PolarHBondContact O-NH1 3.2Å; S75-R77 PolarHBondContact OG-NH1 2.85Å
76E27.7Very low30.9Very low185 Ų185152.3 Ų152.386%0.86481%0.814SS**  trans-123.7162.2159.6-165.6139.4-132.700109.3
77R34.5Very low31Very low183 Ų183152.2 Ų152.269%0.69181%0.813SS**  trans-165100.1-151.948.3-169.7163.3-75.8-19.5110.8S75S75-R77 PolarHBondContact O-NH1 3.2Å; S75-R77 PolarHBondContact OG-NH1 2.85Å
78E29.9Very low31.6Very low181 Ų181147.1 Ų147.185%0.84681%0.811SS**  trans-127.1155.1171-146.382.1-110.100109.2
79S34.8Very low31.7Very low105 Ų105144.4 Ų144.473%0.73481%0.81SS**  trans-150160.7-179.7-74.50000111.2
80L35.1Very low32.3Very low169 Ų169143.3 Ų143.389%0.88581%0.811SS**  trans102.6137.3161.9-54177.1000118.8
81A28.8Very low32.4Very low97 Ų97140.2 Ų140.280%0.80282%0.815SS**  trans66.1102142.600000120.4
82S28.7Very low32.7Very low120 Ų120134.4 Ų134.484%0.83981%0.807SS**  trans-78.4132.9157.2-40.70000111.7
83T32Very low32.9Very low130 Ų130140.9 Ų140.980%0.79882%0.815SS**  trans-165.4120.4145.521.70000110.5
84P36.9Very low33.1Very low134 Ų134137.6 Ų137.687%0.8781%0.813SS**  trans-85.1154.7172.233.7-33.3000112.5
85V33.1Very low33.3Very low126 Ų126136 Ų13676%0.76481%0.814SS**  trans-115.6126.2-173.21700000109.9
86F35.4Very low33.7Very low206 Ų206144.4 Ų144.490%0.90484%0.835SS**  trans44124.9166.8-79.3-103.2000119.8
87G32.6Very low33.9Very low69 Ų69138.8 Ų138.871%0.71183%0.826SS**  trans-104.8174.8158.900000112.5
88P41.9Very low33.7Very low136 Ų136135.4 Ų135.488%0.88383%0.83SS**  trans-106.2144.4166.236.5-28.2000112
89G31.1Very low33.8Very low75 Ų75137.8 Ų137.877%0.77383%0.833SS**  trans-117162.1170.700000112.3
90I39.1Very low33.6Very low180 Ų180137.8 Ų137.892%0.92383%0.833SS**  trans-136.1155.7168.153.3171.7000110.8
91A30.9Very low33.4Very low105 Ų105134.5 Ų134.587%0.86882%0.824SS**  trans-90.2146.9-15900000115.7
92G34.4Very low33.8Very low71 Ų71140 Ų14073%0.73283%0.831SS**  trans-139.432-171.200000117.4
93K35.1Very low33.9Very low206 Ų206137.2 Ų137.290%0.89682%0.821SS**  trans24.9124.7154.750-168165.1-176.40120.3
94A35.6Very low33.9Very low104 Ų104137.7 Ų137.786%0.8682%0.824SS**  trans-91.4167.8-169.600000116.7
95E33.1Very low33.8Very low202 Ų202139.4 Ų139.494%0.94482%0.82SS**  trans-146177.9150-141.7168.1-155.600111.5
96R36.6Very low34.6Very low249 Ų249139.2 Ų139.294%0.9482%0.822SS**  trans-155.8134.3-155.7-175.2-170.4-170-144.65.3116.4
97G31.9Very low34.5Very low66 Ų66132 Ų13268%0.6881%0.806SS**  trans128164.2160.500000115.4
98S31.3Very low34.5Very low113 Ų113138.8 Ų138.879%0.7982%0.816SS**  cis-167.2121.4-11.7-81.70000113.2
99Y30.6Very low35Very low230 Ų230140.3 Ų140.390%0.90281%0.813SS**  trans41.3119.9145.6-79.6-76.2000125
100S31Very low36.3Very low106 Ų106141.7 Ų141.774%0.74181%0.808SS**  90.6131.8116-151.80000124.8
101S31.6Very low35.9Very low99 Ų99138.8 Ų138.869%0.69280%0.804SS**  120110.1120.4-140.20000122.4
102F36.5Very low35.9Very low213 Ų213141.3 Ų141.393%0.93480%0.798SS**  trans49.1133.4132.8-89.2-86.9000127.4
103G30.7Very low36Very low62 Ų62144.9 Ų144.964%0.63980%0.799SS**  trans164.6152.1149.800000112.3
104T33Very low36.3Very low140 Ų140139.8 Ų139.886%0.85979%0.787SS**  cis-158.2-168.1-16.6-17.80000110.7
105Q34.5Very low36.3Very low169 Ų169142.6 Ų142.679%0.7979%0.787SS**  trans-130.2178.4176.7-80.7-71.1-3500110.4
106P49.6Very low36.8Very low122 Ų122138.7 Ų138.779%0.79278%0.779SS**  cis-122.3-169.2744.2-29.1000114.1
107G33.5Very low36.4Very low55 Ų55132.5 Ų132.557%0.56777%0.773SS**  cis124.5119.4-8.100000115.6
108F32.2Very low37Very low211 Ų211135 Ų13593%0.92578%0.777SS**  trans-155.5171.1170.4-113.1-83.5000111.7
109M52.1Low36.9Very low168 Ų168137 Ų13783%0.82878%0.779SS**  trans-154.3-178-164.2-78.8-73.6-175.300111.1
110P59.7Low36.9Very low104 Ų104130.9 Ų130.968%0.67577%0.771SS**  cis-134-173-44.339.4-22.5000113.1
111S29.7Very low36.9Very low119 Ų119133.7 Ų133.783%0.83278%0.777SS**  trans172.4171.4148-96.80000113.1
112E31Very low36.8Very low158 Ų158134.3 Ų134.374%0.73878%0.781SS**  -159.8128.2-89.5-113.4-165.3175.100114.3
113I37.3Very low37.8Very low146 Ų146129.8 Ų129.875%0.74977%0.773SS**  trans53.1-177.3153.923.5174.6000120.5
114P40.6Very low38.5Very low99 Ų99132.2 Ų132.264%0.64378%0.777SS**  cis-138.6146.7-27.127.7-5.9000118.7
115L36.6Very low38.3Very low164 Ų164130.8 Ų130.886%0.85977%0.773SS**  trans59.3-176.5135.1-58.5174.1000120.7
116P42.5Very low38.2Very low119 Ų119127.7 Ų127.777%0.77378%0.776SS**  cis-129.4177.4-19.229.7-8.9000115.6
117S29.4Very low37.4Very low119 Ų119131.4 Ų131.483%0.83278%0.78SS**  trans-166135.6149.5-168.70000112.9
118P43.8Very low37.1Very low118 Ų118134.3 Ų134.377%0.76679%0.791SS**  trans-128.1168.5171.640.3-27.1000115.7
119D28.9Very low36.9Very low155 Ų155131.9 Ų131.983%0.82979%0.788SS**  trans-83.2166.9-170.6-53.6-92.2000117.4
120S31.1Very low35.9Very low103 Ų103129.2 Ų129.272%0.7279%0.786SS**  141.7160.1106.865.30000118.5
121L31.5Very low34.8Very low165 Ų165132.2 Ų132.286%0.86479%0.791SS**  trans87.1131.4160.2-51.7-175.7000122.2
122S29.5Very low35Very low111 Ų111136.7 Ų136.778%0.77680%0.796SS**  trans-121.1174.4155.7-720000106.5
123P56.8Low35.1Very low118 Ų118139.9 Ų139.977%0.76680%0.803SS**  cis-134.9-131.422.732.4-4000109.9
124P45.5Very low34.6Very low113 Ų113138.5 Ų138.573%0.73481%0.806SS**  cis-139.7159.6-16.638.7-18.5000119.2
125S28.7Very low34Very low110 Ų110139 Ų13977%0.76981%0.811SS**  trans51.8106.3138.5176.10000121.8
126A32.3Very low33.9Very low104 Ų104140.5 Ų140.586%0.8681%0.807SS**  trans-149.8138132.500000112
127K32.8Very low33.4Very low201 Ų201143 Ų14387%0.87481%0.809SS**  trans-77.6147.2-170.5-54.4152.5-176171.40112.4
128S27.2Very low33.5Very low115 Ų115148.2 Ų148.280%0.80481%0.81SS**  172.9128.2108.1-157.40000116.2
129N27.3Very low32.9Very low161 Ų161151.5 Ų151.586%0.86181%0.812SS**  trans74.3160.5145.3-140.83.9000123.2
130S31.8Very low33.3Very low111 Ų111155.3 Ų155.378%0.77682%0.815SS**  trans79.7150.4176.5-147.50000118.3
131Q36.5Very low33.5Very low168 Ų168156.3 Ų156.379%0.78582%0.819SS**  trans-115.3143.9-168-57.3168.1-6.800110.3
132F34.3Very low33.4Very low212 Ų212153.3 Ų153.393%0.9382%0.818SS**  trans-168.6147133.9-91.2-58.3000109.8
133Y32.2Very low33.6Very low226 Ų226157.6 Ų157.689%0.88683%0.826SS**  trans-77.3143.4174.8-100.2-103.8000110.8
134S27.9Very low32.2Very low116 Ų116158.9 Ų158.981%0.81183%0.826SS**  trans-114165.2161.9-164.70000110.7
135S27.6Very low31.5Very low109 Ų109160.2 Ų160.276%0.76283%0.827SS**  trans-70.8150.2-156.9-160.10000115.1
136Y34.8Very low31.5Very low197 Ų197160.9 Ų160.977%0.77383%0.826SS**  trans-97.4115.6176.440.2-92.2000111.6
137E31.3Very low31.5Very low172 Ų172160.4 Ų160.480%0.80482%0.822SS**  trans-72.4122.6158.9-93.5-68.3145.400109.5
138R31.1Very low31.5Very low228 Ų228158.7 Ų158.786%0.8682%0.823SS**  trans-146.195.1168.2-173.5174.4-74.1-132.81.9111.9
139K31.9Very low31.9Very low187 Ų187158.6 Ų158.681%0.81382%0.819SS**  trans-56.7146.1161-63.1178.3-179.2177.70110.1
140R38.2Very low32.1Very low234 Ų234159.8 Ų159.888%0.88382%0.819SS**  trans-116.5133.6175.6-168.6-174.5-62.5164.20.8108.5
141P34.2Very low32.4Very low124 Ų124160.1 Ų160.181%0.80582%0.819SS**  trans-72.1161.2175.931.6-35.6000111.2
142A29.1Very low32.5Very low102 Ų102161.7 Ų161.784%0.84382%0.823SS**  trans-110.2137.3172.400000110.2
143Q33.3Very low32.7Very low201 Ų201161.9 Ų161.994%0.93982%0.824SS**  trans-154.6142.4162.9-147.6166.79.400108.8
144D27.4Very low33.3Very low145 Ų145159.1 Ų159.178%0.77582%0.822SS**  trans-65.5165.4177.7-99.4-50.7000112.6
145L32Very low34.1Very low142 Ų142164.8 Ų164.874%0.74383%0.826SS**  cis-158.6-172.722.7-129.5155.5000110.9
146T29.2Very low35.2Very low124 Ų124168.9 Ų168.976%0.76183%0.83SS**  trans75.9104.7159.835.70000123.2
147A32Very low35.9Very low94 Ų94165.3 Ų165.378%0.77783%0.829SS**  82.3114.2120.900000124.7
148N31.4Very low36.6Very low165 Ų165162.6 Ų162.688%0.88283%0.826SS**  trans72156.1143.7-90.40.3000122.9
149P36.9Very low37Very low112 Ų112158.1 Ų158.173%0.72783%0.826SS**  trans-120.6167.2-152.139.6-25.1000116.3
150Q30.5Very low37.4Very low186 Ų186152.3 Ų152.387%0.86982%0.819SS**PPolyproline II helixtrans-90.8138.6175.4-72.5-163.4-6.600114.2
151P38.6Very low37.4Very low119 Ų119149.7 Ų149.777%0.77382%0.822SS**PPolyproline II helixtrans-78.6144171.332-34.2000112.7
152K39Very low37.8Very low201 Ų201149.7 Ų149.787%0.87482%0.822SS**PPolyproline II helixtrans-84.9143.3179.2-65173.6-177171.30111.4
153K38.6Very low38.1Very low216 Ų216150.4 Ų150.494%0.93982%0.821SS**PPolyproline II helixtrans-78.6119.8-177.7-63.6176.8-178.61760111.5
154I44.6Very low38.3Very low167 Ų167145.9 Ų145.986%0.85681%0.812SS**PPolyproline II helixtrans-94.3142.4172.1-65.4176.8000110.2
155R44.6Very low38.5Very low236 Ų236145 Ų14589%0.89181%0.811SS**PPolyproline II helixtrans-82.9132.9-177-171.3169.6178.7146.1-3.5110.9
156K51Low38.6Very low194 Ų194148.4 Ų148.484%0.84382%0.816SS**PPolyproline II helixtrans-70.6137.9-178.1-161.890.774.5171.80111.3
157V48.2Very low38.9Very low123 Ų123148.1 Ų148.175%0.74582%0.816SS**PPolyproline II helixtrans-90.2141167.5-177.60000109.2
158P46.1Very low39Very low115 Ų115150 Ų15075%0.74782%0.817SS**PPolyproline II helixtrans-71.2142.7177.4-16.531.5000112.7
159P39.5Very low38.8Very low133 Ų133146.4 Ų146.486%0.86481%0.811SS**PPolyproline II helixtrans-85.3134.3176.633-33.1000112.4
160G40.8Very low38.7Very low65 Ų65147.2 Ų147.267%0.6781%0.814SS**  trans170.9143169.700000113.8
161L38.5Very low38.8Very low180 Ų180142.4 Ų142.494%0.94281%0.814SS**  trans78.9152.4179.7-64.8137.6000116
162P43.5Very low38.7Very low123 Ų123145.4 Ų145.480%0.79982%0.818SS**  trans-113.8-178.9-133.142.3-36.9000117.3
163S34.6Very low38.6Very low117 Ų117143.2 Ų143.282%0.81882%0.816SS**  trans-83.4166.4-174.8-174.40000115.3
164S38.1Very low38.2Very low107 Ų107142 Ų14275%0.74881%0.811SS**  trans75.1144.8174-133.50000114.5
165V30.3Very low37.7Very low125 Ų125141.8 Ų141.876%0.75881%0.811SS**  cis-142.1144.333.3168.30000112.5
166Y34.1Very low37.4Very low215 Ų215140.2 Ų140.284%0.84381%0.806SS**  trans-94.8142.8160.2-94.4-87.1000110.9
167P36.3Very low36.4Very low118 Ų118137 Ų13777%0.76680%0.798SS**  trans-109.2117.7148.832.3-22.2000110.4
168T32.8Very low35.6Very low132 Ų132138.4 Ų138.481%0.8181%0.807SS**  trans-84.7130.4169.446.20000110.6
169A29Very low35.1Very low90 Ų90139.7 Ų139.774%0.74481%0.812SS**  trans-122.898170.300000110.5
170T33.1Very low34.7Very low130 Ų130139.3 Ų139.380%0.79881%0.811SS**  trans21.2105.8137.2530000118
171G32.9Very low34.4Very low84 Ų84145.4 Ų145.487%0.86682%0.82SS**  trans-114.2103.4150.200000108.7
172E37.6Very low35.1Very low182 Ų182142.3 Ų142.385%0.8581%0.81SS**  trans-89.8119.6168.6-63.9-179.8120.300107.9
173D36.1Very low34.4Very low156 Ų156140.8 Ų140.883%0.83481%0.808SS**  trans-155.1154.9160.4-123.9-38.9000113.5
174F30.9Very low34.4Very low190 Ų190141 Ų14183%0.83381%0.809SS**  trans-72.6139.3-156.8-75.4-107.4000115.6
175N34.1Very low34.2Very low163 Ų163145.7 Ų145.787%0.87282%0.817SS**  trans-135.1151.4142.9-151-83.5000110.8
176R37.1Very low34.2Very low203 Ų203144.7 Ų144.777%0.76682%0.821SS**  trans-112138.5-163-117.7-170.6162.8143.7-1.2112.2
177D30Very low34Very low127 Ų127138.3 Ų138.368%0.67982%0.821SS**  trans5188.7144.9-53.7-36.4000118.7
178T33.2Very low33.8Very low152 Ų152140.4 Ų140.493%0.93383%0.826SS**  -159152.7119.65.10000112.3
179T35.6Very low33.9Very low141 Ų141139.6 Ų139.687%0.86582%0.821SS**  trans-120142.4-166.947.30000113.1
180C30.6Very low34Very low125 Ų125146 Ų14685%0.84583%0.827SS**  158.5161.1123.8-155.20000112.8
181F34.8Very low33.8Very low194 Ų194147.2 Ų147.285%0.85182%0.824SS**  trans-106.9-172.8-170.8-73.4-86.7000111.7
182P51.7Low34.2Very low114 Ų114148 Ų14874%0.7481%0.814SS**  cis-135.8174.4-5037.4-21.4000115.3
183A29.8Very low34Very low91 Ų91143 Ų14375%0.75280%0.804SS**  trans-4.6148.9153.800000122.9
184S34Very low33.9Very low121 Ų121145.4 Ų145.485%0.84680%0.802SS**  -164.6118.9129.1-88.90000117.1
185K33.4Very low34.3Very low207 Ų207147.4 Ų147.490%0.981%0.806SS**  51.4134.1127.8-153.6170.7-175.4177.40122.6
186A31.6Very low34.4Very low103 Ų103146.5 Ų146.585%0.85180%0.798SS**  trans-70.4159.818000000117.1
187G29.8Very low34.2Very low82 Ų82143.5 Ų143.585%0.84579%0.793SS**  trans-159.6142.9165.100000110.8
188N32.4Very low34.2Very low162 Ų162144.1 Ų144.187%0.86680%0.796SS**  trans-115.3-178.4-176.5-1718.7000110.2
189V34.5Very low34.2Very low115 Ų115141.5 Ų141.570%0.69779%0.79SS**  trans119.8109.3156.2-178.80000116.1
190Y31.3Very low34.1Very low225 Ų225143.7 Ų143.788%0.88279%0.79SS**  trans89.1155153.7-87.3-129.8000122.2
191Q29.3Very low35Very low154 Ų154143.5 Ų143.572%0.7279%0.787SS**  trans-125.4154.4-169.2-85.3-89.4-2100108.9
192P40.8Very low35.7Very low101 Ų101139.9 Ų139.966%0.65678%0.783SS**  -143.1166.491.935.8-19000115.1Y194P192-Y194 HydrophobicContact CB-CE2 4.43Å; P192-Y194 HydrophobicContact CG-CE2 4.19Å
193A33.5Very low34.8Very low78 Ų78140.3 Ų140.365%0.64579%0.789SS**  trans-107.3139.6-170.800000114.4
194Y33.4Very low35Very low206 Ų206142.2 Ų142.281%0.80879%0.786SS**  trans-148148.3168.8-55.5-77.2000112.1P192P192-Y194 HydrophobicContact CB-CE2 4.43Å; P192-Y194 HydrophobicContact CG-CE2 4.19Å
195Y39Very low35Very low231 Ų231141.9 Ų141.991%0.90678%0.781SS**  trans73.4166.6171.2-119-101.1000119.4
196M37.4Very low35.3Very low145 Ų145143.6 Ų143.671%0.71478%0.782SS**  trans-115.5166.3-152.5-62.8-178.364.100115.3
197Q31.7Very low35.2Very low140 Ų140141.9 Ų141.965%0.65478%0.775SS**  trans109127.3136.5-153.962.24500118.2
198D31.3Very low35.4Very low139 Ų139143.8 Ų143.874%0.74378%0.776SS**  trans69.9161.5162.7-65.6-23.1000122.8
199A31.4Very low35.4Very low97 Ų97141.1 Ų141.180%0.80278%0.776SS**  trans85.9128.9175.200000120.1
200H33.7Very low35.4Very low187 Ų187139.3 Ų139.387%0.86678%0.78SS**  trans-116.5177.2159.8-51.5-67.7000107.7
201P50.4Low35.4Very low121 Ų121132.9 Ų132.979%0.78677%0.768SS**  cis-126.5-134.6-0.144.3-24000111.4
202P50Low35.6Very low119 Ų119133.7 Ų133.777%0.77377%0.774SS**  trans-122.8171.7-136.636.3-14.1000117.4
203S31.9Very low35.3Very low122 Ų122136.2 Ų136.285%0.85378%0.78SS**  trans-124.4151165-70.80000111.5
204D34.8Very low35.2Very low131 Ų131140.3 Ų140.370%0.70179%0.786SS**  trans-81.7133-166.1-17330000114.7W206D204-W206 VanDerWaalsContact OD2-CD1 3.28Å
205P34.1Very low35.9Very low114 Ų114136.1 Ų136.174%0.7478%0.784SS**  trans-116.285.2178.239.1-28.1000114.3G207P205-G207 PolarHBondContact O-N 3.33Å
206W39.7Very low35.5Very low243 Ų243128 Ų12892%0.9277%0.771SS**  trans-74.1102.8161.1-8277.2000110.3D204D204-W206 VanDerWaalsContact OD2-CD1 3.28Å
207G29.6Very low35.3Very low68 Ų68132.6 Ų132.670%0.70178%0.782SS**  trans-149.584.2-171.700000116.2P205P205-G207 PolarHBondContact O-N 3.33Å
208S32.2Very low35.3Very low122 Ų122132 Ų13285%0.85379%0.794SS**  trans38.6130.6146.7-62.20000123
209A34.1Very low35.5Very low105 Ų105129.8 Ų129.887%0.86879%0.794SS**  trans64.4143.9156.500000118
210G34.7Very low35.8Very low77 Ų77131.9 Ų131.979%0.79480%0.797SS**  cis106.681.9-2.300000114.4
211S30.3Very low36.1Very low91 Ų91131.3 Ų131.364%0.63680%0.8SS**  trans-166.9119.9159.6-167.40000113.9
212M34.1Very low35.1Very low170 Ų170129.1 Ų129.184%0.83780%0.799SS**  trans57.2175144-67.6-166.2-82.900122.6
213I34.2Very low34.2Very low154 Ų154131.8 Ų131.879%0.7981%0.806SS**  trans81.8102.9169.2-53.8113.7000117.7
214Q31.9Very low34.5Very low165 Ų165130.8 Ų130.877%0.77180%0.8SS**  trans-75.9152156-86.6-81.6-17.700110.1
215P46.4Very low35.4Very low117 Ų117129.6 Ų129.676%0.7680%0.799SS**  -147145.591.736.6-19.7000116.6
216G30.8Very low35.5Very low62 Ų62131.9 Ų131.964%0.63980%0.799SS**  trans-122.6148.3162.500000111.2
217Y33.9Very low35.3Very low241 Ų241128.1 Ų128.195%0.94580%0.796SS**  trans-83.1167.6-170.9-86.9-99.9000114.9
218S32.5Very low35.5Very low128 Ų128128.2 Ų128.290%0.89580%0.797SS**  trans-84.7174.4-168.1-160.10000115.3
219A34.7Very low35.4Very low91 Ų91131.4 Ų131.475%0.75280%0.799SS**  trans-104170-162.900000115.8
220V37Very low35.2Very low141 Ų141135.7 Ų135.786%0.85580%0.801SS**  trans-135.3103.5162.6-169.30000111.9
221L40Very low35.2Very low176 Ų176135.5 Ų135.592%0.92180%0.799SS**  trans15.3139.4149-58.4171.1000122.7
222G29.5Very low36Very low75 Ų75136.8 Ų136.877%0.77381%0.805SS**  trans172106.8156.100000113.2
223N32Very low35.7Very low174 Ų174138.6 Ų138.693%0.9381%0.808SS**  trans-102.2156.1-170-110.627.7000115.3
224S37.1Very low35.8Very low102 Ų102137 Ų13771%0.71381%0.806SS**  trans-86.5175.6-179.7-169.90000113H226S224-H226 PolarHBondContact OG-N 3.24Å
225P54Low35.9Very low105 Ų105134.1 Ų134.168%0.68281%0.811SS**  -146.414598.237.8-22.7000117.6
226H37.2Very low35.6Very low162 Ų162136.2 Ų136.275%0.7581%0.814SS**  trans61.5155.6144.595-29.5000120S224S224-H226 PolarHBondContact OG-N 3.24Å
227L35.1Very low35.7Very low164 Ų164139 Ų13986%0.85981%0.814SS**  cis-151.3141.3-0.1-165.571.7000109.7
228G33.3Very low36Very low70 Ų70133.4 Ų133.472%0.72281%0.807SS**  trans168.4110.6173.500000114.2
229Q30.2Very low36.4Very low189 Ų189135 Ų13588%0.88380%0.8SS**  trans-83.2146.4-174.4-70.5-95.9-1.900112.8
230H29.9Very low36.5Very low196 Ų196138.3 Ų138.391%0.90781%0.805SS**  trans-143.9136.9169.4-96.8-84.7000113.1
231G34.9Very low36.7Very low73 Ų73142.2 Ų142.275%0.75381%0.805SS**  trans104.1171.7165.400000115.2
232P47.3Very low36.3Very low118 Ų118141.5 Ų141.577%0.76680%0.799SS**  cis-118.1169.1-22.339-27.3000111.7
233F28.9Very low36.6Very low207 Ų207147.6 Ų147.691%0.90880%0.804SS**  trans-131.6138.1165.1-105.2-80.2000112.3
234T35.3Very low36.7Very low122 Ų122150.9 Ų150.975%0.74880%0.803SS**PPolyproline II helixtrans-100.7163.4-17743.20000111.9
235A33.8Very low36.6Very low104 Ų104153.7 Ų153.786%0.8681%0.805SS**PPolyproline II helixtrans-67.8148.317900000112.7
236I40.9Very low36Very low161 Ų161154.7 Ų154.783%0.82681%0.811SS**PPolyproline II helixtrans-100.4140.7-178.4-64.5174.6000110.6
237N33.1Very low35.9Very low120 Ų120154 Ų15464%0.64281%0.812SS**PPolyproline II helixtrans-84.1129.7-179.4178.723.7000111.9Q239N237-Q239 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.21Å
238P40.1Very low37Very low123 Ų123151.5 Ų151.580%0.79981%0.806SS**SBendtrans-81.857-178.835.2-38.7000113.9
239Q39.9Very low36.8Very low163 Ų163156.7 Ų156.776%0.76282%0.816SS**  trans-142.165173.2-74.1-159.8-18.100114N237N237-Q239 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.21Å
240D37.6Very low37.1Very low160 Ų160152.7 Ų152.786%0.85681%0.809SS**  trans-157.6112.3146.7-143.9-28.3000112.5
241R41Very low38.2Very low223 Ų223148.4 Ų148.484%0.84280%0.798SS**  trans-157.4139163.4-145.5-172.7-178.2-155.1-1.2111.5
242M31.9Very low38.2Very low161 Ų161152.7 Ų152.779%0.79380%0.799SS**  trans73.174.1169.1-51.5-161.8-64.800117.2
243K35.5Very low37.2Very low203 Ų203153.6 Ų153.688%0.88380%0.797SS**  trans-128.5148.3139.6-75-170.6177.4177.80110.7
244R34.2Very low37.5Very low243 Ų243154.5 Ų154.592%0.91780%0.796SS**  trans80.1108.6173.5-55.1-170.3-179.8-80.50.8118.4
245H33.7Very low38.1Very low161 Ų161153.6 Ų153.675%0.74579%0.792SS**  trans-70.1168.7145.9-85.7-92.1000111.3
246P41.9Very low38Very low126 Ų126156.3 Ų156.382%0.81879%0.792SS**  -119.3178.2107.3-4.724.9000115.3
247L35.6Very low38Very low146 Ų146157.5 Ų157.576%0.76479%0.793SS**  trans-144.7-179.8-176.6-79.1172.8000107.7
248P57.1Low37.8Very low113 Ų113154.6 Ų154.673%0.73479%0.792SS**  cis-128.4-172.4-33.635.1-17.9000111.8
249L31Very low37.5Very low179 Ų179153.8 Ų153.894%0.93779%0.789SS**  trans-159.3145.1147.9-105.8153.5000110.1
250S35.1Very low37.3Very low105 Ų105153.8 Ų153.873%0.73479%0.789SS**  trans-161.8155.7-179.3-174.50000108.5
251P54.4Low37.1Very low105 Ų105152 Ų15268%0.68278%0.783SS**  -152.9159.6106.636.9-18.8000117.5
252Q33.8Very low36.7Very low164 Ų164149.2 Ų149.277%0.76679%0.786SS**  trans64.2150151.8-93.162.5-20.800118.8
253N25.8Very low36.5Very low137 Ų137145.3 Ų145.373%0.73379%0.787SS**  cis-152.515125-151.5-8.3000114.2
254Y35.1Very low36.3Very low225 Ų225140.2 Ų140.288%0.88278%0.782SS**  trans-165.5129.8170.8-120.3-60.9000109.3
255P49Very low36.2Very low103 Ų103137 Ų13767%0.66978%0.777SS**  trans-152.4168.1133.136.1-18.2000113.4
256L31.6Very low36.7Very low161 Ų161134.5 Ų134.584%0.84378%0.775SS**  cis-154.5-179.4-14.5-144.270.1000110.2
257H41.3Very low36.1Very low186 Ų186134.6 Ų134.686%0.86177%0.774SS**  trans-88.3163.4170.3-70.4-113.6000114
258G28.1Very low35.7Very low59 Ų59131.6 Ų131.661%0.60877%0.765SS**  trans-143137.9142.800000108
259S33.8Very low34.4Very low106 Ų106135.2 Ų135.274%0.74177%0.77SS**  79.3134.254-64.80000112.2
260E36.3Very low34.4Very low164 Ų164136.3 Ų136.377%0.76677%0.769SS**  cis-170.2163.14.943.7-164.7101.800114.9
261V33.4Very low34.1Very low121 Ų121136.6 Ų136.673%0.73378%0.778SS**  trans55.5132.5155.9-64.90000126.1
262N31.6Very low33.1Very low166 Ų166135.2 Ų135.289%0.88878%0.783SS**  trans29.1132.4139.4-63.4-4.7000123.1
263G29.2Very low33Very low79 Ų79132.8 Ų132.881%0.81478%0.784SS**  trans-173.9134158.400000114.6
264A30Very low33.2Very low95 Ų95131.3 Ų131.379%0.78578%0.784SS**  trans-61.1152.5-172.800000116.9
265H33.1Very low33.2Very low175 Ų175124.7 Ų124.781%0.8177%0.771SS**  trans-61.9146.7156.532.1-117000111.1
266P44.1Very low32.5Very low109 Ų109129.5 Ų129.571%0.70878%0.782SS**  -145.6160.986.740.6-25.3000116.5
267T29.9Very low32.5Very low129 Ų129125.1 Ų125.179%0.79178%0.776SS**  trans32.9127.1147.361.50000119.1
268S26.1Very low32.3Very low82 Ų82122.8 Ų122.857%0.57377%0.774SS**  173.8173.960.5-162.90000112.2
269F30.2Very low32.9Very low190 Ų190125.7 Ų125.783%0.83378%0.782SS**  trans62.786.4161.2-50.7-56.8000119.1
270H30.3Very low32.8Very low201 Ų201125.6 Ų125.693%0.93178%0.782SS**  trans-80.8127.8139.6-78.5-87.6000109.3
271A29.6Very low32.6Very low111 Ų111127.1 Ų127.192%0.91779%0.788SS**  trans-99.594167.900000109.6
272G34Very low32.6Very low76 Ų76127.2 Ų127.278%0.78479%0.79SS**  trans-104.6142.6168.400000110.6
273S30.4Very low33Very low114 Ų114125 Ų12580%0.79778%0.784SS**  trans-94135.9175.7-167.30000110.7
274S31Very low33.8Very low105 Ų105127.3 Ų127.373%0.73479%0.785SS**  trans54.2113.8178.247.60000115.7
275S33.4Very low34.1Very low87 Ų87130.9 Ų130.961%0.60879%0.789SS**  cis60.912627.8-148.30000113
276F34.8Very low34.1Very low204 Ų204127.4 Ų127.490%0.89579%0.791SS**  cis-132.6172.916.6-65.8-101.2000110.1
277G32.1Very low33.4Very low69 Ų69125.5 Ų125.571%0.71179%0.79SS**  cis137.8120.70.800000110.9
278V36.6Very low33.6Very low137 Ų137126 Ų12683%0.8379%0.794SS**  trans-117.6136.6-171.9-175.60000111.8
279P40.8Very low34Very low120 Ų120130.3 Ų130.378%0.77980%0.804SS**  trans-109.6133.8167.636-26.3000113
280S32.5Very low34.4Very low104 Ų104128.3 Ų128.373%0.72781%0.808SS**  trans-112.8127.3171.5-60.10000110.3
281H31Very low35Very low195 Ų195126.1 Ų126.190%0.90380%0.802SS**  trans-149.5151.9166.3-95.4-71.1000113.1
282T34.6Very low35.3Very low124 Ų124129.7 Ų129.776%0.76180%0.801SS**PPolyproline II helixtrans-86.7145.8-173.748.80000113.6
283P40.2Very low35.3Very low120 Ų120130 Ų13078%0.77980%0.797SS**PPolyproline II helixtrans-80.2149.6165.833.9-33.8000112.3
284P44.3Very low35.4Very low126 Ų126132.4 Ų132.482%0.81880%0.801SS**PPolyproline II helixtrans-89.2172.6176.736.5-35.9000113.6
285I38Very low35.8Very low171 Ų171139 Ų13988%0.87781%0.81SS**PPolyproline II helixtrans-101.6156.4176-80.4174.4000111.4
286A32.4Very low35.9Very low102 Ų102138.4 Ų138.484%0.84382%0.817SS**  trans84.7134.9-178.300000115.5
287G30Very low35.8Very low68 Ų68133.7 Ų133.770%0.70182%0.816SS**  cis144130.6-11.600000113.2
288T33.8Very low36.4Very low141 Ų141137 Ų13787%0.86582%0.822SS**  trans-163.4138.5158.610.50000113.4
289E34.7Very low36.8Very low171 Ų171136.4 Ų136.480%0.79982%0.821SS**  trans-46.5145.9170.6-59.9146.3-114.400116.4
290T37.7Very low37.3Very low148 Ų148134.4 Ų134.491%0.90882%0.822SS**  trans-155.9129.4130.5-5.50000111.2
291I43.5Very low37.7Very low156 Ų156134.1 Ų134.180%0.882%0.82SS**  trans-102.2126.2178.5-64.4165.3000108.8
292M34.7Very low38.6Very low185 Ų185128.3 Ų128.391%0.91180%0.801SS**  trans-154.9135.5145.2-128.2173-7000111.6
293A34.3Very low39.7Very low84 Ų84124.8 Ų124.869%0.69479%0.79SS**  trans-87.3155.4177.300000111.2
294N32.5Very low40.6Very low164 Ų164123.6 Ų123.688%0.87778%0.777SS**  trans-153.7169.2132.8-118.9-58.3000113.3
295R40.3Very low41.5Very low244 Ų244123.7 Ų123.792%0.92177%0.766SS**  trans-95.3146.7-168.7-58.4173.5174.4-172.5-3112.9
296G35.1Very low42.6Very low74 Ų74120.9 Ų120.976%0.76375%0.752SS**  trans120.2157.113300000118.3
297A33.6Very low44.4Very low104 Ų104118.1 Ų118.186%0.8673%0.733SS**  trans70.3129.9173.700000118.1
298V43.9Very low46.2Very low139 Ų139121.7 Ų121.784%0.84273%0.729SS**  trans-112.3136.7169.4170.10000107.4
299P45.5Very low47.4Very low125 Ų125117.6 Ų117.681%0.81271%0.71SS**  -129.9158.7122.630.5-17.6000112
300G50Low48.9Very low78 Ų78114.4 Ų114.480%0.80470%0.698SS**PPolyproline II helixtrans-71.6155.9-16200000117.2
301S42.2Very low50Low97 Ų97110.5 Ų110.568%0.67868%0.681SS**PPolyproline II helixtrans-99165.2165.6-167.80000111E305S301-E305 WeakPolarHBondContact CB-OE2 3.36Å; S301-E305 PolarHBondContact OG-OE2 3.43Å
302S49.1Very low50.7Low74 Ų74107.9 Ų107.952%0.51768%0.676SS.*PPolyproline II helixtrans-77.8155.7-177.3-170.90000113.1D304S302-D304 WeakPolarHBondContact CB-OD2 3.39Å; S302-D304 PolarHBondContact O-N 3.02Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 2.99Å
303G57.3Low52.2Low50 Ų50104.9 Ų104.952%0.51566%0.663SS.*THydrogen-bonded Turntrans-64.9-11.6177.700000115.1E305 I306 G307G303-E305 PolarHBondContact O-N 2.94Å; G303-E305 VanDerWaalsContact O-N 3.16Å; G303-I306 PolarHBondContact O-N 2.84Å; G303-G307 PolarHBondContact O-N 3.22Å
304D60.4Low53.2Low95 Ų95109.9 Ų109.951%0.50867%0.665SS.*Hα-helixtrans-54.1-32.1179.4-64.6-76000114.2S302 I306 K308S302-D304 WeakPolarHBondContact CB-OD2 3.39Å; S302-D304 PolarHBondContact O-N 3.02Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 2.99Å; D304-I306 VanDerWaalsContact C-N 3.34Å; D304-K308 WeakPolarHBondContact O-CD 3.4Å; D304-K308 VanDerWaalsContact O-CG 3.31Å; D304-K308 WeakPolarHBondContact O-CG 3.46Å; D304-K308 PolarHBondContact O-N 3.4Å
305E62.8Low53.9Low127 Ų127108.3 Ų108.359%0.59366%0.664SS**Hα-helixtrans-70.9-33-178.8-60.5-175.8103.100111.3S301 G303 A309S301-E305 WeakPolarHBondContact CB-OE2 3.36Å; S301-E305 PolarHBondContact OG-OE2 3.43Å; G303-E305 PolarHBondContact O-N 2.94Å; G303-E305 VanDerWaalsContact O-N 3.16Å; E305-A309 WeakPolarHBondContact O-CB 3.18Å; E305-A309 PolarHBondContact O-N 3.03Å; E305-A309 VanDerWaalsContact O-N 3.1Å
306I61.3Low54.3Low113 Ų113102 Ų10258%0.57966%0.657SS**Hα-helixtrans-72.9-43.9177.7-45.7177.6000110.1G303 D304 K308 A309 L310G303-I306 PolarHBondContact O-N 2.84Å; D304-I306 VanDerWaalsContact C-N 3.34Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.38Å; I306-A309 PolarHBondContact O-N 2.93Å; I306-L310 HydrophobicContact CG2-CD1 4.23Å; I306-L310 WeakPolarHBondContact O-CG 3.24Å; I306-L310 PolarHBondContact O-N 3.29Å
307G69.1Low54.5Low44 Ų44105.6 Ų105.645%0.45466%0.659SS.*Hα-helixtrans-59.5-41.4176.500000112.7G303 L310 A311G303-G307 PolarHBondContact O-N 3.22Å; G307-L310 PolarHBondContact O-N 3.02Å; G307-A311 WeakPolarHBondContact O-CB 3.42Å; G307-A311 PolarHBondContact O-N 3.08Å
308K68.7Low55.5Low142 Ų142106.6 Ų106.662%0.61766%0.657SS**Hα-helixtrans-67.5-38.6176.2-71.1166.9-173166.70112.3D304 I306 S312D304-K308 WeakPolarHBondContact O-CD 3.4Å; D304-K308 VanDerWaalsContact O-CG 3.31Å; D304-K308 WeakPolarHBondContact O-CG 3.46Å; D304-K308 PolarHBondContact O-N 3.4Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-OG 3.48Å
309A59.3Low55.5Low56 Ų56106.9 Ų106.946%0.46365%0.654SS.*Hα-helixtrans-62.6-44.8175.100000111.6E305 I306 S312 I313E305-A309 WeakPolarHBondContact O-CB 3.18Å; E305-A309 PolarHBondContact O-N 3.03Å; E305-A309 VanDerWaalsContact O-N 3.1Å; I306-A309 PolarHBondContact O-N 2.93Å; A309-S312 WeakPolarHBondContact O-CB 3.26Å; A309-S312 PolarHBondContact O-N 3.2Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å
310L66.6Low54.9Low104 Ų104106.4 Ų106.455%0.54565%0.653SS.*Hα-helixtrans-68-39.2179-68171.6000112.9I306 G307 S312 I313I306-L310 HydrophobicContact CG2-CD1 4.23Å; I306-L310 WeakPolarHBondContact O-CG 3.24Å; I306-L310 PolarHBondContact O-N 3.29Å; G307-L310 PolarHBondContact O-N 3.02Å; L310-S312 PolarHBondContact O-N 3.36Å; L310-I313 HydrophobicContact CD2-CD1 4.12Å; L310-I313 PolarHBondContact O-N 3.13Å
311A59.1Low54.2Low66 Ų66110.6 Ų110.655%0.54566%0.657SS.*Hα-helixtrans-61.2-28.3174.200000112.9G307 I313G307-A311 WeakPolarHBondContact O-CB 3.42Å; G307-A311 PolarHBondContact O-N 3.08Å; A311-I313 VanDerWaalsContact C-N 3.25Å; A311-I313 PolarHBondContact O-N 3.18Å
312S59.4Low54.4Low101 Ų101110.3 Ų110.371%0.70666%0.66SS**THydrogen-bonded Turntrans-75.7-8.3-178-56.30000114.3K308 A309 L310K308-S312 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-OG 3.48Å; A309-S312 WeakPolarHBondContact O-CB 3.26Å; A309-S312 PolarHBondContact O-N 3.2Å; L310-S312 PolarHBondContact O-N 3.36Å
313I64.8Low54.1Low122 Ų122116 Ų11663%0.62668%0.676SS**THydrogen-bonded Turntrans-87.6-16.1-178.1-40.8179.1000111.6A309 L310 A311A309-I313 WeakPolarHBondContact O-CG1 3.37Å; L310-I313 HydrophobicContact CD2-CD1 4.12Å; L310-I313 PolarHBondContact O-N 3.13Å; A311-I313 VanDerWaalsContact C-N 3.25Å; A311-I313 PolarHBondContact O-N 3.18Å
314Y56.8Low53.4Low188 Ų188119.1 Ų119.174%0.73769%0.687SS**SBendtrans-102.3117.9176.4-72.5-86.4000111S316Y314-S316 PolarHBondContact O-N 2.77Å; Y314-S316 VanDerWaalsContact O-N 3.08Å
315P47.2Very low52.9Low132 Ų132120.4 Ų120.486%0.85770%0.701SS**  trans-61.4112.8173.8-22.834.2000111.1D317P315-D317 PolarHBondContact O-N 2.89Å
316S49Very low51.8Low111 Ų111119.5 Ų119.578%0.77671%0.708SS**  trans-82.3101.1176.4-65.30000110.1Y314Y314-S316 PolarHBondContact O-N 2.77Å; Y314-S316 VanDerWaalsContact O-N 3.08Å
317D39.2Very low50.9Low150 Ų150120.3 Ų120.380%0.80272%0.721SS**  trans-74.1118.6-177.7-161.22000111P315 N319P315-D317 PolarHBondContact O-N 2.89Å; D317-N319 VanDerWaalsContact C-N 3.3Å; D317-N319 PolarHBondContact O-N 3.32Å
318P54Low49.6Very low125 Ų125123.9 Ų123.981%0.81274%0.739SS**SBendtrans-85.850-160.735-38.8000114.6
319N43.9Very low48.2Very low145 Ų145123.2 Ų123.278%0.77575%0.747SS**  trans-154.381.7172.9-168.619.5000116.2D317D317-N319 VanDerWaalsContact C-N 3.3Å; D317-N319 PolarHBondContact O-N 3.32Å
320S32.8Very low47.2Very low114 Ų114127 Ų12780%0.79777%0.767SS**  trans-168.6109.3137.742.10000112.3
321N36.2Very low45.9Very low166 Ų166127.3 Ų127.389%0.88878%0.778SS**  trans-156.399161.7-130.3-27.7000109.2
322A44.4Very low44.6Very low91 Ų91128 Ų12875%0.75279%0.791SS**  trans-142.135.3-164.100000114.1
323F43.1Very low43.3Very low195 Ų195128.7 Ų128.786%0.85580%0.796SS**  trans-131.1138.1162.2-77.5-77000109.7
324P43.7Very low42.1Very low115 Ų115128.8 Ų128.875%0.74780%0.804SS**PPolyproline II helixtrans-81.2141.4-178.832.2-33.9000111.7
325P49.7Very low41Very low122 Ų122128.6 Ų128.679%0.79281%0.81SS**PPolyproline II helixtrans-70.4148167.330.5-34000111.1
326S39.1Very low40.5Very low107 Ų107127.1 Ų127.175%0.74881%0.809SS**PPolyproline II helixtrans-66.4150.8173.8-62.70000111.9S328S326-S328 PolarHBondContact O-N 3.24Å
327P42.1Very low39.7Very low130 Ų130128.1 Ų128.184%0.84481%0.81SS**  trans-74.8114.6-176.429.1-34.4000112.5
328S41.6Very low39.3Very low120 Ų120127.2 Ų127.284%0.83982%0.816SS**  trans-70.2146.2170.6-58.20000112.3S326S326-S328 PolarHBondContact O-N 3.24Å
329T40.4Very low38Very low127 Ų127124.8 Ų124.878%0.77981%0.814SS**  trans-74.2144178.246.90000113
330P39Very low37.3Very low135 Ų135124 Ų12488%0.87782%0.819SS**  trans-85.7114.8174.832.6-32.2000112.3
331S37.6Very low37.3Very low112 Ų112122.7 Ų122.778%0.78382%0.816SS**  trans-112113.9161.948.40000109.6
332G32.4Very low36.9Very low79 Ų79121.1 Ų121.181%0.81482%0.818SS**  trans-92.6113.4-175.600000112.9
333S33.2Very low36.4Very low116 Ų116124.8 Ų124.881%0.81182%0.819SS**PPolyproline II helixtrans-84.3122.8169.1-600000110.8
334P38.8Very low35.8Very low124 Ų124124.2 Ų124.281%0.80581%0.811SS**PPolyproline II helixtrans-73.1128.4171.829.5-32.5000110.4
335Q34Very low35.2Very low185 Ų185125.4 Ų125.486%0.86482%0.817SS**PPolyproline II helixtrans-70.9135.4172.3-72.8-174.3-38.200111
336A37.2Very low34.8Very low101 Ų101130 Ų13084%0.83582%0.818SS**PPolyproline II helixtrans-83.2140.4167.200000110.6
337V32.2Very low34.2Very low131 Ų131130.8 Ų130.879%0.79482%0.824SS**  trans-138.3133.3173.1-74.40000113.2
338S29Very low33.8Very low132 Ų132130.8 Ų130.892%0.92383%0.827SS**  trans71.7123.5163.6-1450000118.9
339G27.7Very low33.6Very low74 Ų74128.2 Ų128.276%0.76382%0.819SS**  trans-163.4-2.1179.900000117
340S28.1Very low33.1Very low127 Ų127132.1 Ų132.189%0.88883%0.829SS**  trans64.7143.3176.4-157.90000118.4
341A32.8Very low33.1Very low88 Ų88130.3 Ų130.373%0.72783%0.826SS**  trans-90.5160.6-173.300000113.6
342S29.1Very low33.1Very low133 Ų133131.3 Ų131.393%0.9383%0.827SS**  trans-157.8154.8141.8-83.60000110.8
343Q33.2Very low33.5Very low167 Ų167133.5 Ų133.578%0.7883%0.827SS**  trans-121.6142.6-165.3-123.4-1715.900111.8
344W31.6Very low33.5Very low183 Ų183133.4 Ų133.469%0.69383%0.826SS**  trans50.7124.5161.1-59.8108.9000120.2
345T30.5Very low33.8Very low140 Ų140133.3 Ų133.386%0.85983%0.826SS**  -152.4138.7125.8-3.90000109.6
346R41.3Very low33.6Very low218 Ų218131.5 Ų131.582%0.82382%0.822SS**  trans-98.9143167.9-70.6-179.2179.5-108.43.6108.2
347S27.1Very low33.9Very low125 Ų125135.7 Ų135.787%0.87482%0.822SS**  trans-138.2143.2169.2-68.60000110
348S33.9Very low34.5Very low129 Ų129137.6 Ų137.690%0.90282%0.822SS**  trans-118.6139.9177.6176.50000108.9
349G35.4Very low35.4Very low66 Ų66134.2 Ų134.268%0.6881%0.808SS**  trans157.1110.4169.200000116.2
350Q30.9Very low36.4Very low209 Ų209132.6 Ų132.698%0.97779%0.791SS**  trans68.4164.6161.9-60.2-169.3-12.500117.7
351A39.3Very low37.7Very low98 Ų98133.1 Ų133.181%0.8178%0.782SS**  trans-122.5159.1-155.900000113.2
352T37.4Very low38.7Very low133 Ų133136.2 Ų136.282%0.81678%0.782SS**  trans-121.2147.9167.848.10000109.7
353P40.3Very low39.9Very low125 Ų125133.4 Ų133.481%0.81276%0.762SS**PPolyproline II helixtrans-78.3150.2-17731.9-35.2000112.4
354S32.7Very low40.9Very low114 Ų114132.1 Ų132.180%0.79776%0.758SS**PPolyproline II helixtrans-62.4141.5178.3-46.50000112.8
355P45.1Very low42.3Very low122 Ų122128.8 Ų128.879%0.79275%0.75SS**PPolyproline II helixtrans-70.2138164.530.4-32.9000110.3
356N30.5Very low44.1Very low146 Ų146125 Ų12578%0.78173%0.729SS**PPolyproline II helixtrans-76.9138.4-177.8-166.446.6000111.5
357F43.6Very low45.6Very low190 Ų190121 Ų12183%0.83372%0.718SS**  trans-10974.2-173-148.3-77.4000111.8
358E45.5Very low47.8Very low171 Ų171120 Ų12080%0.79970%0.702SS**  trans-129.1118.6-177.4-164.772.4-105.900109.6
359G46.7Very low49.9Very low61 Ų61117.5 Ų117.563%0.62968%0.676SS**SBendtrans109.1-0.8176.300000118I361G359-I361 PolarHBondContact O-N 3.31Å
360G50.3Low52Low39 Ų39119.4 Ų119.440%0.40267%0.67SS.*THydrogen-bonded Turntrans-74.6-17.3-170.700000117.9
361I53.9Low54.4Low139 Ų139118 Ų11871%0.71366%0.656SS**THydrogen-bonded Turntrans-93.1-47.9-168.832.3175.1000114.2G359 S363 M364 Q365G359-I361 PolarHBondContact O-N 3.31Å; I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 2.86Å; I361-M364 PolarHBondContact O-N 3.49Å; I361-M364 VanDerWaalsContact O-N 3.12Å; I361-Q365 PolarHBondContact O-N 2.77Å; I361-Q365 VanDerWaalsContact O-N 3.14Å
362Q55.1Low56.8Low153 Ų153117.8 Ų117.872%0.71564%0.641SS**Hα-helixtrans-60.6-39.8-175.4-64.4175.815.700112.3M364 Q365 S366Q362-M364 VanDerWaalsContact C-N 3.27Å; Q362-M364 PolarHBondContact O-N 3.29Å; Q362-Q365 PolarHBondContact O-N 3.31Å; Q362-S366 PolarHBondContact O-N 3.32Å; Q362-S366 PolarHBondContact O-OG 3.29Å
363S54.5Low59.2Low74 Ų74115.8 Ų115.852%0.51763%0.625SS.*Hα-helixtrans-67.7-22.6179.7-167.80000114I361 K367I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 2.86Å; S363-K367 WeakPolarHBondContact O-CG 3.36Å
364M53.2Low61.5Low140 Ų140115.9 Ų115.969%0.6962%0.615SS**Hα-helixtrans-84.1-34.4172.1-64.4-149-56.500112I361 Q362 K367 L368I361-M364 PolarHBondContact O-N 3.49Å; I361-M364 VanDerWaalsContact O-N 3.12Å; Q362-M364 VanDerWaalsContact C-N 3.27Å; Q362-M364 PolarHBondContact O-N 3.29Å; M364-K367 PolarHBondContact O-N 2.92Å; M364-L368 PolarHBondContact O-N 2.85Å
365Q62Low64.1Low113 Ų113112.6 Ų112.653%0.52859%0.594SS.*Hα-helixtrans-61.8-52.2174.9-155.8-170.8-41.500110.5I361 Q362 K367 L368 E369I361-Q365 PolarHBondContact O-N 2.77Å; I361-Q365 VanDerWaalsContact O-N 3.14Å; Q362-Q365 PolarHBondContact O-N 3.31Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 3.45Å; Q365-L368 WeakPolarHBondContact O-CA 3.49Å; Q365-L368 WeakPolarHBondContact O-CB 3.18Å; Q365-L368 PolarHBondContact O-N 2.94Å; Q365-E369 WeakPolarHBondContact CG-OE2 3.42Å; Q365-E369 PolarHBondContact NE2-OE1 3.4Å; Q365-E369 PolarHBondContact O-N 2.63Å
366S66.5Low66.1Low59 Ų59111.1 Ų111.141%0.41358%0.579SS.*Hα-helixtrans-58.3-39.7178.2-51.40000112.7Q362 L368 E369 D370Q362-S366 PolarHBondContact O-N 3.32Å; Q362-S366 PolarHBondContact O-OG 3.29Å; S366-L368 PolarHBondContact O-N 3.12Å; S366-E369 PolarHBondContact N-OE2 2.81Å; S366-E369 PolarHBondContact O-N 3.3Å; S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.82Å; S366-D370 VanDerWaalsContact O-OD2 3.12Å
367K73.6Confident68.6Low136 Ų136107.9 Ų107.959%0.59156%0.562SS**Hα-helixtrans-69.3-16.6176.2-82.5178.4176.2170.40114.8S363 M364 Q365 R371S363-K367 WeakPolarHBondContact O-CG 3.36Å; M364-K367 PolarHBondContact O-N 2.92Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 3.45Å; K367-R371 VanDerWaalsContact O-CD 3.31Å; K367-R371 WeakPolarHBondContact O-CD 3.34Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.3Å
368L72.6Confident70.8Confident103 Ų103101.9 Ų101.954%0.53954%0.54SS..Hα-helixtrans-89.3-40.2171.9179.2147.7000109.9M364 Q365 S366 R371 L372M364-L368 PolarHBondContact O-N 2.85Å; Q365-L368 WeakPolarHBondContact O-CA 3.49Å; Q365-L368 WeakPolarHBondContact O-CB 3.18Å; Q365-L368 PolarHBondContact O-N 2.94Å; S366-L368 PolarHBondContact O-N 3.12Å; L368-R371 PolarHBondContact O-N 3.48Å; L368-L372 HydrophobicContact CD2-CD1 3.61Å; L368-L372 HydrophobicContact CD2-CG 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.03Å
369E78.1Confident72.8Confident77 Ų7799.6 Ų99.636%0.3653%0.533SS..Hα-helixtrans-63.7-49174.8-71.615615700111.1Q365 S366 R371 L372 D373Q365-E369 WeakPolarHBondContact CG-OE2 3.42Å; Q365-E369 PolarHBondContact NE2-OE1 3.4Å; Q365-E369 PolarHBondContact O-N 2.63Å; S366-E369 PolarHBondContact N-OE2 2.81Å; S366-E369 PolarHBondContact O-N 3.3Å; E369-R371 PolarHBondContact O-N 3.1Å; E369-R371 VanDerWaalsContact O-N 3.09Å; E369-L372 CarbonylContact O-C 3.57Å; E369-L372 PolarHBondContact O-N 3.46Å; E369-D373 WeakPolarHBondContact O-CB 3.42Å; E369-D373 PolarHBondContact O-N 2.92Å
370D79.8Confident74.1Confident106 Ų106102.7 Ų102.757%0.56753%0.531SS*.Hα-helixtrans-48.4-40.6171.4-71.3-36.2000112.3S366 E374S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.82Å; S366-D370 VanDerWaalsContact O-OD2 3.12Å; D370-E374 WeakPolarHBondContact O-CB 3.33Å; D370-E374 PolarHBondContact O-N 2.76Å
371R81.6Confident75.4Confident180 Ų180108.8 Ų108.868%0.67954%0.542SS*.Hα-helixtrans-78-34.4-179.6-74.3178.2174.6-77.31.5112.9K367 L368 E369 A375K367-R371 VanDerWaalsContact O-CD 3.31Å; K367-R371 WeakPolarHBondContact O-CD 3.34Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.3Å; L368-R371 PolarHBondContact O-N 3.48Å; E369-R371 PolarHBondContact O-N 3.1Å; E369-R371 VanDerWaalsContact O-N 3.09Å; R371-A375 VanDerWaalsContact O-CB 3.32Å; R371-A375 WeakPolarHBondContact O-CB 3.44Å; R371-A375 PolarHBondContact O-N 2.95Å
372L89.8Confident76.1Confident93 Ų93109.7 Ų109.749%0.48754%0.543SS..Hα-helixtrans-69.6-42.7172.5-71.9177.9000110.2L368 E369 A375 I376L368-L372 HydrophobicContact CD2-CD1 3.61Å; L368-L372 HydrophobicContact CD2-CG 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.03Å; E369-L372 CarbonylContact O-C 3.57Å; E369-L372 PolarHBondContact O-N 3.46Å; L372-A375 PolarHBondContact O-N 3.31Å; L372-I376 WeakPolarHBondContact O-CB 3.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.27Å
373D87.2Confident76.7Confident90 Ų90106.4 Ų106.448%0.48154%0.542SS..Hα-helixtrans-63.7-40.9175.3-74.9-34.5000111.5E369 N377E369-D373 WeakPolarHBondContact O-CB 3.42Å; E369-D373 PolarHBondContact O-N 2.92Å; D373-N377 VanDerWaalsContact O-CB 3.26Å; D373-N377 WeakPolarHBondContact O-CB 3.33Å; D373-N377 PolarHBondContact O-N 3.22Å; D373-N377 PolarHBondContact O-ND2 3.21Å
374E89.2Confident77Confident128 Ų128106.4 Ų106.460%0.59854%0.542SS*.Hα-helixtrans-61.2-47.1171.4-175.3172-15100111.4D370 I376 N377 V378D370-E374 WeakPolarHBondContact O-CB 3.33Å; D370-E374 PolarHBondContact O-N 2.76Å; E374-I376 PolarHBondContact O-N 3.29Å; E374-N377 PolarHBondContact O-N 3.01Å; E374-V378 WeakPolarHBondContact O-CG2 3.41Å; E374-V378 PolarHBondContact O-N 2.84Å
375A86.9Confident77.4Confident44 Ų44103.2 Ų103.236%0.36454%0.544SS..Hα-helixtrans-63.1-41.7178.500000112.6R371 L372 V378 L379R371-A375 VanDerWaalsContact O-CB 3.32Å; R371-A375 WeakPolarHBondContact O-CB 3.44Å; R371-A375 PolarHBondContact O-N 2.95Å; L372-A375 PolarHBondContact O-N 3.31Å; A375-V378 PolarHBondContact O-N 3.4Å; A375-L379 VanDerWaalsContact O-CD1 3.24Å; A375-L379 WeakPolarHBondContact O-CD1 3.17Å; A375-L379 PolarHBondContact O-N 3.09Å
376I87.2Confident76.7Confident91 Ų91106.2 Ų106.247%0.46756%0.559SS.*Hα-helixtrans-64-45.3175-70.4163.1000109.8L372 E374 V378 L379 Q380L372-I376 WeakPolarHBondContact O-CB 3.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.27Å; E374-I376 PolarHBondContact O-N 3.29Å; I376-V378 VanDerWaalsContact C-N 3.26Å; I376-V378 PolarHBondContact O-N 2.8Å; I376-L379 PolarHBondContact O-N 2.76Å; I376-Q380 WeakPolarHBondContact O-CB 3.39Å; I376-Q380 PolarHBondContact O-N 3.17Å
377N84.3Confident75.8Confident79 Ų79107.4 Ų107.442%0.42258%0.58SS.*Hα-helixtrans-64.6-26.9175.3-83.9-77.5000113.2D373 E374 R381D373-N377 VanDerWaalsContact O-CB 3.26Å; D373-N377 WeakPolarHBondContact O-CB 3.33Å; D373-N377 PolarHBondContact O-N 3.22Å; D373-N377 PolarHBondContact O-ND2 3.21Å; E374-N377 PolarHBondContact O-N 3.01Å; N377-R381 WeakPolarHBondContact O-CB 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.34Å; N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 PolarHBondContact O-NE 2.8Å
378V89.4Confident74.2Confident63 Ų63104.2 Ų104.238%0.38259%0.586SS.*Hα-helixtrans-74.5-53.8171168.80000110.4E374 A375 I376 Q380 R381 H382E374-V378 WeakPolarHBondContact O-CG2 3.41Å; E374-V378 PolarHBondContact O-N 2.84Å; A375-V378 PolarHBondContact O-N 3.4Å; I376-V378 VanDerWaalsContact C-N 3.26Å; I376-V378 PolarHBondContact O-N 2.8Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 2.99Å; V378-R381 PolarHBondContact O-N 3.08Å; V378-H382 PolarHBondContact O-CD2 3.21Å; V378-H382 VanDerWaalsContact O-CD2 3.24Å; V378-H382 PolarHBondContact O-N 3.2Å
379L86.1Confident73.1Confident124 Ų124104.8 Ų104.865%0.64960%0.596SS**Hα-helixtrans-57.4-41.1177.7-9397.5000112.1A375 I376 H382 A383A375-L379 VanDerWaalsContact O-CD1 3.24Å; A375-L379 WeakPolarHBondContact O-CD1 3.17Å; A375-L379 PolarHBondContact O-N 3.09Å; I376-L379 PolarHBondContact O-N 2.76Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 PolarHBondContact O-N 2.91Å; L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.41Å
380Q74.8Confident71.8Confident126 Ų126103.8 Ų103.859%0.58961%0.606SS**Hα-helixtrans-69.9-35.1-179.3-165.7163.710.500111.9I376 V378 H382 A383 S384I376-Q380 WeakPolarHBondContact O-CB 3.39Å; I376-Q380 PolarHBondContact O-N 3.17Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 2.99Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-A383 PolarHBondContact O-N 3.4Å; Q380-S384 WeakPolarHBondContact O-CB 3.22Å; Q380-S384 PolarHBondContact O-N 3.42Å; Q380-S384 PolarHBondContact O-OG 2.99Å
381R78.3Confident70.5Confident166 Ų166105.1 Ų105.163%0.62661%0.612SS**Hα-helixtrans-66.3-33.4169.8-84179.2-79.7-149.72.5113N377 V378N377-R381 WeakPolarHBondContact O-CB 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.34Å; N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 PolarHBondContact O-NE 2.8Å; V378-R381 PolarHBondContact O-N 3.08Å
382H68.7Low69Low159 Ų15999.8 Ų99.874%0.73661%0.606SS**Hα-helixtrans-75.4-31.4172.8-76.9-70.9000113.1V378 L379 Q380V378-H382 PolarHBondContact O-CD2 3.21Å; V378-H382 VanDerWaalsContact O-CD2 3.24Å; V378-H382 PolarHBondContact O-N 3.2Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 PolarHBondContact O-N 2.91Å; Q380-H382 VanDerWaalsContact C-N 3.35Å
383A67.6Low67.2Low83 Ų83101.9 Ų101.969%0.68661%0.614SS**Hα-helixtrans-83-28.3179.500000113.7L379 Q380 G385L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.41Å; Q380-A383 PolarHBondContact O-N 3.4Å; A383-G385 PolarHBondContact O-N 3.43Å
384S60.1Low65.6Low75 Ų75103.5 Ų103.552%0.52462%0.62SS.*SBendtrans-75.71.8-174.770.90000115.1Q380 Q386Q380-S384 WeakPolarHBondContact O-CB 3.22Å; Q380-S384 PolarHBondContact O-N 3.42Å; Q380-S384 PolarHBondContact O-OG 2.99Å; S384-Q386 PolarHBondContact O-N 3.26Å
385G61.6Low63.8Low72 Ų72104.2 Ų104.274%0.74262%0.623SS**  trans64.813.8162.400000117A383A383-G385 PolarHBondContact O-N 3.43Å
386Q46.6Very low62Low177 Ų177105.9 Ų105.983%0.82763%0.632SS**  trans-94.6112.3-177.8-156.9167.813.700110S384S384-Q386 PolarHBondContact O-N 3.26Å
387G49.2Very low60.5Low83 Ų83107.4 Ų107.486%0.85664%0.64SS**  trans-82.3135.9-156.400000117.4
388G39.9Very low58.9Low70 Ų70110.2 Ų110.272%0.72266%0.655SS**  trans118.6149.2157.700000114.9
389P48.9Very low57.2Low115 Ų115111.5 Ų111.575%0.74767%0.666SS**  cis-121.140.22.341.8-28000113.9L391 A392P389-L391 PolarHBondContact O-N 3.05Å; P389-A392 PolarHBondContact O-N 3.33Å
390G50.9Low55.4Low55 Ų55109 Ų10957%0.56766%0.664SS**THydrogen-bonded Turntrans-61.66.4-169.400000119.2
391L52.7Low54.1Low134 Ų134106.2 Ų106.270%0.70267%0.669SS**THydrogen-bonded Turntrans-88.7-24.4175.7-17160.9000113P389 M394P389-L391 PolarHBondContact O-N 3.05Å; L391-M394 HydrophobicContact CD1-CE 4.15Å
392A50.2Low53Low68 Ų68105.5 Ų105.556%0.56268%0.677SS**Hα-helixtrans-73.9-39.4-177.500000112.8P389 M394 H395 S396P389-A392 PolarHBondContact O-N 3.33Å; A392-M394 PolarHBondContact O-N 2.92Å; A392-H395 WeakPolarHBondContact O-CB 3.47Å; A392-H395 PolarHBondContact O-N 3.41Å; A392-H395 VanDerWaalsContact O-N 3.14Å; A392-S396 PolarHBondContact O-N 3.29Å
393E52.4Low52Low137 Ų137101.3 Ų101.364%0.6468%0.677SS**Hα-helixtrans-67.6-36.2-172.1-169.8165.3-159.500113H395 S396 L397E393-H395 PolarHBondContact O-N 3.19Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.45Å; E393-L397 PolarHBondContact O-N 3.27Å
394M53.3Low50.9Low124 Ų124105 Ų10561%0.61168%0.683SS**Hα-helixtrans-61.9-28.7174.4-68-168.5-73.100112.9L391 A392L391-M394 HydrophobicContact CD1-CE 4.15Å; A392-M394 PolarHBondContact O-N 2.92Å
395H50.3Low49.8Very low143 Ų143105.6 Ų105.666%0.66269%0.693SS**Hα-helixtrans-75.3-34.4172.5-102.5-95.6000112.6A392 E393 S399A392-H395 WeakPolarHBondContact O-CB 3.47Å; A392-H395 PolarHBondContact O-N 3.41Å; A392-H395 VanDerWaalsContact O-N 3.14Å; E393-H395 PolarHBondContact O-N 3.19Å; H395-S399 PolarHBondContact O-N 3.29Å
396S49.7Very low48.9Very low79 Ų79108.8 Ų108.855%0.55270%0.7SS**Hα-helixtrans-66.7-40.5175.1-65.70000112.5A392 E393 L398 S399 A400A392-S396 PolarHBondContact O-N 3.29Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.45Å; S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.27Å; S396-S399 PolarHBondContact O-N 3.1Å; S396-S399 VanDerWaalsContact O-N 3.1Å; S396-A400 PolarHBondContact O-N 2.87Å
397L54.5Low48.5Very low123 Ų123103.6 Ų103.664%0.64469%0.694SS**Hα-helixtrans-63.1-37.7177.8-66.9177.3000112.5E393 S399 A400E393-L397 PolarHBondContact O-N 3.27Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 2.91Å; L397-A400 PolarHBondContact O-N 3.12Å
398L51.8Low47.6Very low139 Ų139109.7 Ų109.773%0.72870%0.698SS**Hα-helixtrans-67.2-29.4174.7-169.463.3000112.4S396S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.27Å
399S52.8Low47.6Very low89 Ų89113.4 Ų113.462%0.62270%0.701SS**Hα-helixtrans-80.5-23.9176.3-167.20000113.6H395 S396 L397 G401H395-S399 PolarHBondContact O-N 3.29Å; S396-S399 PolarHBondContact O-N 3.1Å; S396-S399 VanDerWaalsContact O-N 3.1Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 2.91Å; S399-G401 VanDerWaalsContact C-N 3.29Å; S399-G401 PolarHBondContact O-N 2.97Å
400A50.1Low46.7Very low72 Ų72113.6 Ų113.660%0.59571%0.705SS**Hα-helixtrans-68.4-27.8179.900000112.9S396 L397 L402 G403S396-A400 PolarHBondContact O-N 2.87Å; L397-A400 PolarHBondContact O-N 3.12Å; A400-L402 PolarHBondContact O-N 2.86Å; A400-G403 PolarHBondContact O-N 3.49Å
401G45.7Very low45.8Very low68 Ų68116 Ų11670%0.70172%0.719SS**THydrogen-bonded Turntrans-66.1-2.7-179.400000116.3S399S399-G401 VanDerWaalsContact C-N 3.29Å; S399-G401 PolarHBondContact O-N 2.97Å
402L55.2Low44.8Very low151 Ų151113.8 Ų113.879%0.79172%0.72SS**THydrogen-bonded Turntrans-119.68.9179.7-71.1173.1000114.7A400 I404A400-L402 PolarHBondContact O-N 2.86Å; L402-I404 PolarHBondContact O-N 3.23Å
403G48.7Very low44Very low71 Ų71118.9 Ų118.973%0.73274%0.738SS**  trans66.239.7156.900000117.6A400A400-G403 PolarHBondContact O-N 3.49Å
404I43.6Very low42.8Very low159 Ų159115.3 Ų115.382%0.81574%0.737SS**  trans-113.1126.6174.2-52.7-179.4000110.2L402L402-I404 PolarHBondContact O-N 3.23Å
405A37.7Very low42Very low89 Ų89118.1 Ų118.174%0.73675%0.754SS**  trans-80.1147.5-179.200000112.7G407A405-G407 PolarHBondContact O-N 2.76Å
406P43.7Very low41.1Very low138 Ų138115.6 Ų115.690%0.89676%0.757SS**  trans-83115.9-17731.6-33.5000112.8
407G38Very low40.1Very low68 Ų68117 Ų11770%0.70177%0.767SS**  trans126.3100.6153.800000116.8A405A405-G407 PolarHBondContact O-N 2.76Å
408F30.2Very low39.2Very low212 Ų212121.9 Ų121.993%0.9378%0.777SS**  -163.4155.5115.5-123.6-95.4000109.6
409N38.6Very low38.2Very low148 Ų148122.6 Ų122.679%0.79178%0.781SS**  trans-107.2149.6-178.6-88.2-56.9000112.5
410S30.1Very low37.1Very low118 Ų118128.1 Ų128.183%0.82580%0.797SS**  trans55.3113.1159.7-67.20000120
411A32.6Very low36.1Very low105 Ų105127.9 Ų127.987%0.86880%0.801SS**  -166.5156.7110.500000112.9
412A31.6Very low35.7Very low88 Ų88132.3 Ų132.373%0.72781%0.808SS**  trans-62.4166.4174.600000113.3
413L33.8Very low34.5Very low176 Ų176130.9 Ų130.992%0.92181%0.805SS**  cis-144.4173.718.2-67159.6000108
414G27.8Very low33.4Very low61 Ų61132.5 Ų132.563%0.62981%0.806SS**  cis158.5157.6-0.900000110.4
415L35.4Very low32.8Very low183 Ų183129.7 Ų129.796%0.95880%0.8SS**  trans72.5138.7-178.4-51.4179.9000116.4
416A32Very low32.3Very low90 Ų90133.4 Ų133.474%0.74480%0.802SS**  cis-159145.8-13.800000114.4
417S28.1Very low31.9Very low109 Ų109133.1 Ų133.176%0.76279%0.792SS**  trans53.8102.6143.8-1600000121.5
418R36Very low31.4Very low226 Ų226138.1 Ų138.185%0.85380%0.797SS**  -159.4109.2103.8-104.7-177.1-168-84.60.1112.8
419L30.1Very low31.2Very low154 Ų154135 Ų13581%0.80679%0.79SS**  trans43.789.7149.2-55.4177.1000119.1
420Q30.5Very low30.9Very low204 Ų204132.4 Ų132.495%0.95378%0.784SS**  trans-96.6158.5135.3-80.3-177.3-44.300109.3
421G29.2Very low31.1Very low67 Ų67134 Ų13469%0.69179%0.788SS**  trans121.7167.616200000116.4
422L37.3Very low30.8Very low162 Ų162132.5 Ų132.585%0.84878%0.784SS**  cis-159159.7-17.2-82.5-172.6000107.1
423V29.5Very low31.1Very low120 Ų120135.9 Ų135.973%0.72779%0.788SS**  cis-171168.9-31.970.20000108.4
424S26.8Very low31.8Very low105 Ų105133 Ų13373%0.73478%0.78SS**  trans81.9157.4159.7-108.40000122
425S30.1Very low32Very low101 Ų101135.7 Ų135.771%0.70679%0.79SS**  trans-51.7162.516353.60000117.1
426H27.7Very low31.8Very low167 Ų167132.7 Ų132.777%0.77378%0.784SS**  trans83.6151.8154.7-157.4-83.7000117.1
427L34.5Very low31.8Very low132 Ų132132.4 Ų132.469%0.69179%0.79SS**  trans-60.9150.1-177.1-55.894.2000113
428E28Very low32Very low172 Ų172130.8 Ų130.880%0.80479%0.791SS**  -162.8144.7108.4-95.9-59.684.200113.4
429D26.8Very low31.8Very low146 Ų146126.4 Ų126.478%0.78179%0.789SS**  trans40.7165.3160.8-143.38.5000124.3
430S32.3Very low31.8Very low94 Ų94126.4 Ų126.466%0.65779%0.789SS**  trans-124.3162.1-172.5-51.60000112.5
431V32.6Very low31.8Very low151 Ų151124.3 Ų124.392%0.91578%0.778SS**  trans-145.7124135.2-178.80000109.5
432G26.9Very low31.8Very low75 Ų75129.6 Ų129.677%0.77379%0.785SS**  trans177.144.9-178.500000113.8
433L38.6Very low31.3Very low158 Ų158125 Ų12583%0.82778%0.776SS**  trans-73.3169.6-172.5-65.2173.9000113.6
434P48.5Very low32.4Very low116 Ų116125.4 Ų125.475%0.75378%0.781SS**  cis-132.1156.50.637.6-21.5000116.7
435S30.8Very low32.4Very low118 Ų118125.1 Ų125.183%0.82579%0.786SS**  trans-161.887.2143-157.90000114.5
436S31.6Very low32.5Very low119 Ų119125 Ų12583%0.83279%0.785SS**  trans30.397144.9-520000123.6
437G31.9Very low32.7Very low85 Ų85123.6 Ų123.688%0.87679%0.788SS**  92.3143112.400000122.8
438G32.8Very low32.6Very low75 Ų75125 Ų12577%0.77379%0.79SS**  trans104.992.2162.800000116
439V32Very low32.7Very low134 Ų134123.9 Ų123.981%0.81279%0.789SS**  9096.665.6175.40000115.5
440L30.4Very low32.8Very low154 Ų154120.3 Ų120.381%0.80679%0.787SS**  trans59.5142.4139.9-58.8177.4000125.1
441H28.8Very low32.7Very low160 Ų160121.2 Ų121.274%0.74179%0.793SS**  trans96.1135.7134.2-112.7150.9000123
442H30.4Very low32.6Very low178 Ų178122 Ų12282%0.82479%0.786SS**  trans55.116714886-20.4000119.8
443G26Very low32.7Very low65 Ų65125.7 Ų125.767%0.6778%0.784SS**  cis-170.5177.33.200000112.1
444P52.1Low32.2Very low128 Ų128126 Ų12683%0.83179%0.787SS**  trans-120.7175.8-155.342.5-33.5000117.7
445A28.2Very low31.2Very low100 Ų100124.1 Ų124.183%0.82679%0.788SS**  trans69.9169.3156.700000118.2
446S31.9Very low31.1Very low99 Ų99127.7 Ų127.769%0.69279%0.789SS**  cis-179.8180-36.3-170.10000108.1
447V31.8Very low31.2Very low137 Ų137127.7 Ų127.783%0.8378%0.784SS**  trans62.2155.4165.2-60.50000119.9
448H31.4Very low31Very low161 Ų161127.3 Ų127.375%0.74578%0.78SS**  cis-177154.4-28.6178.8-119.5000110.6
449L30.3Very low31.3Very low149 Ų149132 Ų13278%0.7879%0.787SS**  trans69.4152.7167.5-136.750.9000116.3
450G28.6Very low31.7Very low71 Ų71131.7 Ų131.773%0.73279%0.787SS**  cis173.6-177.2-2.300000108.2
451S32.2Very low31.6Very low112 Ų112127.7 Ų127.778%0.78378%0.784SS**  cis-170.1176.2-10.3-167.80000109.4
452Q29.2Very low31.7Very low167 Ų167126.3 Ų126.378%0.7879%0.792SS**  trans62.7171.8175.2-80.7-169.6-21.700117.9
453Q28.6Very low31.6Very low154 Ų154121.4 Ų121.472%0.7279%0.789SS**  -165144.3-57-113.6169.717.600109.4
454D29.1Very low32Very low165 Ų165125.7 Ų125.788%0.88280%0.797SS**  trans51.9145.8167.1-69.3-47000122.3
455G27.7Very low30.9Very low76 Ų76131.2 Ų131.278%0.78480%0.801SS**  trans128.174.5146.900000121.5
456F28.9Very low31.2Very low193 Ų193132 Ų13285%0.84680%0.8SS**  trans70.4101.4141.3-140.5-105.7000122.7
457T32.2Very low30.9Very low118 Ų118131.3 Ų131.372%0.72481%0.809SS**  trans55.5110.5144.767.80000122.4
458G29.5Very low30.8Very low78 Ų78128.4 Ų128.480%0.80481%0.807SS**  trans-168.5134.415400000110.8
459L37.2Very low30.8Very low174 Ų174127.9 Ų127.991%0.91182%0.815SS**  trans-77.8163.6175.9-71.5173.9000111
460P41.2Very low30.8Very low126 Ų126125.3 Ų125.382%0.81882%0.815SS**  cis-141.3177.417.842.8-25.1000117.7
461G29.1Very low30.9Very low71 Ų71129 Ų12973%0.73282%0.816SS**  trans121.887.3133.700000121.1
462S29.6Very low31.2Very low131 Ų131132.6 Ų132.692%0.91682%0.818SS**  trans53116.1143.4-1730000121.4
463G29.6Very low31.7Very low74 Ų74134.4 Ų134.476%0.76382%0.818SS**  trans168.458.4165.400000119.4
464N32.8Very low32.1Very low155 Ų155134.8 Ų134.883%0.82982%0.82SS**  trans27.5110.6161.5-62.913000121
465R29.2Very low32.4Very low245 Ų245134 Ų13493%0.92582%0.816SS**  -169161.1123.2-109.6164.8168.8-87-2.4115.3
466S34.4Very low33.2Very low116 Ų116137.4 Ų137.481%0.81181%0.809SS**  trans-62155.6-161.2-40.30000119.8
467G26.4Very low33.8Very low84 Ų84134.9 Ų134.987%0.86680%0.8SS**  trans109.6143.1154.400000115.9
468G29.1Very low34.4Very low77 Ų77135.9 Ų135.979%0.79480%0.8SS**  cis160.9105.1-10.400000114.7
469T31.4Very low35Very low149 Ų149139.8 Ų139.891%0.91480%0.803SS**  trans-153.2149.2169.447.50000109.5
470A30.1Very low35.8Very low95 Ų95141.1 Ų141.179%0.78581%0.805SS**  cis-140.3151-8.900000111.8
471I32.3Very low35.9Very low148 Ų148141.1 Ų141.176%0.75980%0.798SS**  trans-49.7131.9177.8-60.7156.6000113.7R473I471-R473 HydrophobicContact CG2-CG 3.7Å
472K37.5Very low36.2Very low189 Ų189144.2 Ų144.282%0.82281%0.807SS**  trans-122136.2130.2-169.9178.4176.4-165.10108
473R40.6Very low36.8Very low204 Ų204142 Ų14277%0.7779%0.791SS**  trans-102.5139.2-179.2-76.4174.3-73.9-179.4-2.9110.6I471I471-R473 HydrophobicContact CG2-CG 3.7Å
474E36.2Very low37.7Very low162 Ų162145.5 Ų145.576%0.75779%0.791SS**  trans-164.3111.8134-93.9129.1-164.500102.7
475D35.2Very low38.3Very low149 Ų149145 Ų14580%0.79779%0.794SS**  52.2116.799.9-84.5-7.9000111.7
476K45Very low39Very low147 Ų147140 Ų14064%0.63979%0.785SS**  56.412359.4-169.5162.7168.328.60109.7
477E40.2Very low39.5Very low141 Ų141141.7 Ų141.766%0.65978%0.778SS**  cis-140.217523.632.4-114.2150.800115.1
478D45.9Very low40.4Very low138 Ų138141 Ų14174%0.73876%0.76SS**  trans24.1123.4142.8-43.8-13.6000119.3
479D42.5Very low41.3Very low161 Ų161142.7 Ų142.786%0.86175%0.747SS**  -160.6122.6128.7-123.4-22000112.2N481D479-N481 PolarHBondContact O-N 3.25Å
480E53Low42.1Very low202 Ų202141 Ų14194%0.94473%0.733SS**  trans-8762.1179.4-68.3-165.2131.200112.2
481N44.5Very low43Very low125 Ų125141.9 Ų141.967%0.66872%0.724SS**  trans-146.289176.9-1657.8000115.9D479D479-N481 PolarHBondContact O-N 3.25Å
482C34.4Very low44Very low137 Ų137142.8 Ų142.893%0.92672%0.718SS**  trans-161.846.9157.9-126.10000112.9
483S43Very low44.9Very low85 Ų85139 Ų13959%0.59470%0.702SS**  trans-141.333.7-178.6-175.20000115.1
484I48.3Very low45.4Very low146 Ų146135.1 Ų135.175%0.74970%0.696SS**SBendtrans-147.978.9170.5-173.6164000113.3
485T44.6Very low46.2Very low146 Ų146132.6 Ų132.690%0.89669%0.687SS**SBendtrans-173.312.7144.342.50000115
486D44.4Very low46.8Very low138 Ų138128.3 Ų128.374%0.73866%0.662SS**  trans-14783.6169-162.819.1000114.4
487K44.5Very low47.2Very low152 Ų152123.4 Ų123.466%0.66165%0.648SS**  trans-136.1-2.2167.3-73.2-172.8175.2168.60113.6E489K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.28Å
488S45.9Very low47.7Very low71 Ų71125.9 Ų125.950%0.49765%0.652SS.*THydrogen-bonded Turntrans-83.33.1-170.760.10000115.1R492S488-R492 VanDerWaalsContact O-CD 3.26Å; S488-R492 WeakPolarHBondContact O-CD 2.78Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-NE 2.88Å; S488-R492 VanDerWaalsContact O-NE 3.15Å
489E47.5Very low47.9Very low112 Ų112124.2 Ų124.252%0.52364%0.642SS.*THydrogen-bonded Turntrans-97.7-29.1173.7-154.6-173.591.500113.7K487 R492 K493K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.28Å; E489-R492 PolarHBondContact O-N 2.99Å; E489-K493 PolarHBondContact O-N 2.92Å; E489-K493 WeakPolarHBondContact OE1-CE 3.49Å; E489-K493 IonicContact OE1-NZ 3.15Å; E489-K493 PolarHBondContact OE1-NZ 3.46Å
490D49Very low48.4Very low114 Ų114123.2 Ų123.261%0.6163%0.626SS**Hα-helixtrans-76.1-45.6-171.5-145.434.9000112R492 K493 D494D490-R492 PolarHBondContact O-N 2.77Å; D490-R492 VanDerWaalsContact O-N 3.11Å; D490-K493 WeakPolarHBondContact O-CA 3.35Å; D490-K493 WeakPolarHBondContact O-CB 3.22Å; D490-K493 PolarHBondContact O-N 2.92Å; D490-D494 PolarHBondContact O-N 3.25Å; D490-D494 VanDerWaalsContact O-N 3.15Å
491D48.4Very low48.1Very low113 Ų113119.5 Ų119.560%0.60462%0.618SS**Hα-helixtrans-54.6-33.9173.6-61.5-40000112.3K493 D494 L495D491-K493 VanDerWaalsContact C-N 3.34Å; D491-D494 PolarHBondContact O-N 3.46Å; D491-L495 WeakPolarHBondContact O-CB 3.33Å; D491-L495 WeakPolarHBondContact O-CG 3.49Å; D491-L495 PolarHBondContact O-N 2.82Å
492R54.2Low48.2Very low167 Ų167116.7 Ų116.763%0.6361%0.608SS**Hα-helixtrans-69.9-30.2177.3-64.1179.1-179.9155.63.2112.4S488 E489 D490 K496S488-R492 VanDerWaalsContact O-CD 3.26Å; S488-R492 WeakPolarHBondContact O-CD 2.78Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-NE 2.88Å; S488-R492 VanDerWaalsContact O-NE 3.15Å; E489-R492 PolarHBondContact O-N 2.99Å; D490-R492 PolarHBondContact O-N 2.77Å; D490-R492 VanDerWaalsContact O-N 3.11Å; R492-K496 WeakPolarHBondContact O-CB 3.45Å; R492-K496 PolarHBondContact O-N 2.65Å
493K55.2Low49Very low110 Ų110111.8 Ų111.848%0.47858%0.575SS.*Hα-helixtrans-73.8-40.8175.5-67.6166.8-171.5160.60110.5E489 D490 D491 K496 A497E489-K493 PolarHBondContact O-N 2.92Å; E489-K493 WeakPolarHBondContact OE1-CE 3.49Å; E489-K493 IonicContact OE1-NZ 3.15Å; E489-K493 PolarHBondContact OE1-NZ 3.46Å; D490-K493 WeakPolarHBondContact O-CA 3.35Å; D490-K493 WeakPolarHBondContact O-CB 3.22Å; D490-K493 PolarHBondContact O-N 2.92Å; D491-K493 VanDerWaalsContact C-N 3.34Å; K493-K496 CarbonylContact O-C 3.43Å; K493-K496 PolarHBondContact O-N 3Å; K493-A497 PolarHBondContact O-N 3.17Å
494D51.8Low49.3Very low121 Ų121115 Ų11565%0.64759%0.585SS**Hα-helixtrans-73.2-39.7-177.5-14640.8000112.1D490 D491 K496 A497 R498D490-D494 PolarHBondContact O-N 3.25Å; D490-D494 VanDerWaalsContact O-N 3.15Å; D491-D494 PolarHBondContact O-N 3.46Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 2.89Å; D494-A497 WeakPolarHBondContact O-CB 3.47Å; D494-A497 PolarHBondContact O-N 2.99Å; D494-R498 WeakPolarHBondContact O-CB 3.45Å; D494-R498 PolarHBondContact O-N 3.27Å
495L52.2Low49.3Very low109 Ų109115.1 Ų115.157%0.57159%0.587SS**Hα-helixtrans-57-43.8166.7-74.2166.4000112D491 A497 R498 L499D491-L495 WeakPolarHBondContact O-CB 3.33Å; D491-L495 WeakPolarHBondContact O-CG 3.49Å; D491-L495 PolarHBondContact O-N 2.82Å; L495-A497 PolarHBondContact O-N 3.37Å; L495-R498 PolarHBondContact O-N 2.96Å; L495-L499 WeakPolarHBondContact O-CB 3.4Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 2.93Å
496K48Very low49.6Very low60 Ų60112.3 Ų112.326%0.26157%0.566SS.*Hα-helixtrans-76.4-3.6177.1-162.4171.6178.7174.30113.2R492 K493 D494 R500 V528 T531R492-K496 WeakPolarHBondContact O-CB 3.45Å; R492-K496 PolarHBondContact O-N 2.65Å; K493-K496 CarbonylContact O-C 3.43Å; K493-K496 PolarHBondContact O-N 3Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 2.89Å; K496-R500 WeakPolarHBondContact O-CD 3.49Å; K496-R500 WeakPolarHBondContact O-CG 3.31Å; K496-R500 PolarHBondContact O-NH1 3.38Å; K496-V528 VanDerWaalsContact CE-CG2 3.49Å; K496-T531 PolarHBondContact NZ-OG1 2.85Å; K496-T531 VanDerWaalsContact NZ-OG1 3.16Å
497A53.5Low50.2Low44 Ų44112.5 Ų112.536%0.36456%0.563SS.*Hα-helixtrans-91.8-48.316600000110.3K493 D494 L495 L499 R500 T501K493-A497 PolarHBondContact O-N 3.17Å; D494-A497 WeakPolarHBondContact O-CB 3.47Å; D494-A497 PolarHBondContact O-N 2.99Å; L495-A497 PolarHBondContact O-N 3.37Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 2.94Å; A497-R500 WeakPolarHBondContact O-CB 3.48Å; A497-R500 PolarHBondContact O-N 3.37Å; A497-T501 PolarHBondContact O-N 2.96Å
498R51Low50.6Low192 Ų192113 Ų11373%0.72557%0.573SS**Hα-helixtrans-60.8-39.6-179.4-157.8169.5-179.8-177.1-2.1112.8D494 L495 R500 T501 S502D494-R498 WeakPolarHBondContact O-CB 3.45Å; D494-R498 PolarHBondContact O-N 3.27Å; L495-R498 PolarHBondContact O-N 2.96Å; R498-R500 VanDerWaalsContact C-N 3.29Å; R498-R500 PolarHBondContact O-N 3.25Å; R498-T501 PolarHBondContact O-N 2.99Å; R498-T501 PolarHBondContact O-OG1 2.96Å; R498-S502 PolarHBondContact O-OG 3.46Å
499L50.2Low51.3Low104 Ų104116 Ų11655%0.54558%0.583SS.*THydrogen-bonded Turntrans-66.8-22.8173.1-75.9166.7000114.2L495 A497L495-L499 WeakPolarHBondContact O-CB 3.4Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 2.93Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 2.94Å
500R53.4Low51.8Low139 Ų139111.6 Ų111.653%0.52556%0.563SS.*THydrogen-bonded Turntrans-82.6-17.7177-73179.1174.9126.8-18.7113.1K496 A497 R498K496-R500 WeakPolarHBondContact O-CD 3.49Å; K496-R500 WeakPolarHBondContact O-CG 3.31Å; K496-R500 PolarHBondContact O-NH1 3.38Å; A497-R500 WeakPolarHBondContact O-CB 3.48Å; A497-R500 PolarHBondContact O-N 3.37Å; R498-R500 VanDerWaalsContact C-N 3.29Å; R498-R500 PolarHBondContact O-N 3.25Å
501T46.4Very low52.4Low125 Ų125113.8 Ų113.877%0.76757%0.57SS**SBendtrans-90.2-4176.245.40000113.9A497 R498A497-T501 PolarHBondContact O-N 2.96Å; R498-T501 PolarHBondContact O-N 2.99Å; R498-T501 PolarHBondContact O-OG1 2.96Å
502S46.9Very low53.1Low65 Ų65116.4 Ų116.446%0.45558%0.584SS.*SBendtrans-134.941.2-174.268.20000112.6R498R498-S502 PolarHBondContact O-OG 3.46Å
503S51.2Low53.8Low34 Ų34112.1 Ų112.124%0.23857%0.573CS.*SBendtrans-15741.7-176.9-176.60000112.4R525S503-R525 PolarHBondContact OG-NH2 3.13Å
504L48.6Very low54.5Low152 Ų152110.6 Ų110.680%0.79657%0.574SS**SBendtrans-130.1-8.6174.6-71.9177.3000114.7
505D48.6Very low55.3Low149 Ų149110.6 Ų110.680%0.79758%0.578SS**SBendtrans-129.4-5-176.3-64.4-88.7000113.9
506D51Low56Low87 Ų87113.5 Ų113.547%0.46559%0.589SS.*  trans-114.983.9-178.7-51.3-70.8000111.4
507E55.7Low57Low142 Ų142115 Ų11566%0.66460%0.599SS**SBendtrans-113-11167.1-57.5-132.3122.400113R525E507-R525 IonicContact OE1-NH1 3.8Å; E507-R525 PolarHBondContact OE1-NH1 3.23Å; E507-R525 IonicContact OE1-NH2 2.73Å
508D54.3Low57.7Low163 Ų163116.3 Ų116.387%0.87260%0.597SS**SBendtrans-82.2-14.9177.7-69.5-68.8000114.4
509D59.4Low58.6Low133 Ų133109.5 Ų109.571%0.71158%0.581SS**SBendtrans-106.32.7-170.8-139.729.7000113.3E511D509-E511 VanDerWaalsContact C-N 3.31Å; D509-E511 PolarHBondContact O-N 3.1Å
510D58.7Low59.6Low20 Ų20111.2 Ų111.211%0.10759%0.586CS.*THydrogen-bonded Turntrans-79.3-1.7-174.4-101.6-37.6000114.2K518 R521D510-K518 WeakPolarHBondContact O-CE 3.47Å; D510-K518 PolarHBondContact O-NZ 3.25Å; D510-R521 IonicContact OD1-CZ 2.65Å; D510-R521 IonicContact OD1-NH1 3.3Å; D510-R521 PolarHBondContact OD1-NH1 3.01Å; D510-R521 IonicContact OD2-CZ 2.64Å; D510-R521 IonicContact OD2-NH1 3.43Å; D510-R521 PolarHBondContact OD2-NH1 3.4Å
511E61.2Low60.5Low160 Ų160107.8 Ų107.875%0.74857%0.573SS**THydrogen-bonded Turntrans-85.1-27.7-172.2-73.4-6199.500115.3D509 K518D509-E511 VanDerWaalsContact C-N 3.31Å; D509-E511 PolarHBondContact O-N 3.1Å; E511-K518 IonicContact OE1-NZ 2.76Å; E511-K518 PolarHBondContact OE1-NZ 2.88Å
512D62.6Low61.4Low169 Ų169108.4 Ų108.490%0.90457%0.568SS**SBendtrans-95.42.5-179.1-122.40.3000113
513L68.9Low62.6Low77 Ų77112.9 Ų112.940%0.40358%0.579SS.*SBendtrans-83.1139.6-178.7-66.4-179.1000112.6V515L513-V515 PolarHBondContact O-N 3.46Å
514P70.9Confident63.4Low77 Ų77113.1 Ų113.150%0.558%0.583SS.*  trans-64.5138.7-179.927.1-34.6000111.4E516 I517 K518P514-E516 PolarHBondContact O-N 3.31Å; P514-I517 HydrophobicContact CG-CB 4.37Å; P514-I517 HydrophobicContact CG-CD1 3.71Å; P514-I517 HydrophobicContact CG-CG1 3.98Å; P514-I517 PolarHBondContact O-N 3.41Å; P514-K518 PolarHBondContact O-N 2.92Å
515V68.1Low64.2Low121 Ų121110.7 Ų110.773%0.73356%0.563SS**Hα-helixtrans-50.1-33.9-172.1-178.50000113.5L513 K518 A519L513-V515 PolarHBondContact O-N 3.46Å; V515-K518 PolarHBondContact O-N 3.45Å; V515-A519 VanDerWaalsContact O-CB 3.23Å; V515-A519 WeakPolarHBondContact O-CB 3.3Å; V515-A519 PolarHBondContact O-N 3.19Å
516E68.3Low64.8Low171 Ų171106.4 Ų106.480%0.79955%0.545SS*.Hα-helixtrans-66.9-36.5179.6-164158.9-149.900112.8P514 E520P514-E516 PolarHBondContact O-N 3.31Å; E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å
517I67.1Low65.3Low91 Ų91107.2 Ų107.247%0.46755%0.549SS..Hα-helixtrans-74.1-40.4174.1-61.3-179.5000110.5P514 A519 E520 R521P514-I517 HydrophobicContact CG-CB 4.37Å; P514-I517 HydrophobicContact CG-CD1 3.71Å; P514-I517 HydrophobicContact CG-CG1 3.98Å; P514-I517 PolarHBondContact O-N 3.41Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.44Å; I517-E520 PolarHBondContact O-N 3.21Å; I517-R521 WeakPolarHBondContact O-CB 3.4Å; I517-R521 PolarHBondContact O-N 3.42Å
518K68.6Low65.5Low72 Ų72102.8 Ų102.831%0.31353%0.531SS..Hα-helixtrans-61.1-43.5175.6-157.6162.1-175.3166.30110.3D510 E511 P514 V515 R521 E522D510-K518 WeakPolarHBondContact O-CE 3.47Å; D510-K518 PolarHBondContact O-NZ 3.25Å; E511-K518 IonicContact OE1-NZ 2.76Å; E511-K518 PolarHBondContact OE1-NZ 2.88Å; P514-K518 PolarHBondContact O-N 2.92Å; V515-K518 PolarHBondContact O-N 3.45Å; K518-R521 PolarHBondContact O-N 2.83Å; K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 PolarHBondContact O-N 3.17Å
519A70.5Confident65.7Low48 Ų4898.4 Ų98.440%0.39751%0.514SS..Hα-helixtrans-67.1-34.517400000113.6V515 I517 K523V515-A519 VanDerWaalsContact O-CB 3.23Å; V515-A519 WeakPolarHBondContact O-CB 3.3Å; V515-A519 PolarHBondContact O-N 3.19Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.44Å; A519-K523 WeakPolarHBondContact O-CB 3.46Å; A519-K523 PolarHBondContact O-N 3.14Å
520E71.4Confident65.5Low140 Ų14097.1 Ų97.165%0.65451%0.506SS*.Hα-helixtrans-70.6-40.9173.3-173.5166.5-143.200112E516 I517 E522 K523 A524E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å; I517-E520 PolarHBondContact O-N 3.21Å; E520-E522 VanDerWaalsContact C-N 3.35Å; E520-E522 PolarHBondContact O-N 3.17Å; E520-K523 PolarHBondContact O-N 3.49Å; E520-A524 WeakPolarHBondContact O-CB 3.41Å; E520-A524 PolarHBondContact O-N 3.14Å
521R71.2Confident65.5Low67 Ų6798.6 Ų98.625%0.25352%0.516SS..Hα-helixtrans-60.3-44.2173.3-161.4179.4-165.8-158.41.5110.6D510 I517 K518 A524 R525D510-R521 IonicContact OD1-CZ 2.65Å; D510-R521 IonicContact OD1-NH1 3.3Å; D510-R521 PolarHBondContact OD1-NH1 3.01Å; D510-R521 IonicContact OD2-CZ 2.64Å; D510-R521 IonicContact OD2-NH1 3.43Å; D510-R521 PolarHBondContact OD2-NH1 3.4Å; I517-R521 WeakPolarHBondContact O-CB 3.4Å; I517-R521 PolarHBondContact O-N 3.42Å; K518-R521 PolarHBondContact O-N 2.83Å; R521-A524 PolarHBondContact O-N 3.3Å; R521-R525 WeakPolarHBondContact O-CG 3.34Å; R521-R525 PolarHBondContact O-N 2.75Å
522E67.1Low65.3Low139 Ų13993.3 Ų93.365%0.6549%0.493SS*.Hα-helixtrans-65.4-45.9174.7-171.2-177.3174.600112.2K518 E520 A524 R525 S526K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 PolarHBondContact O-N 3.17Å; E520-E522 VanDerWaalsContact C-N 3.35Å; E520-E522 PolarHBondContact O-N 3.17Å; E522-A524 VanDerWaalsContact C-N 3.29Å; E522-A524 PolarHBondContact O-N 3.29Å; E522-R525 PolarHBondContact O-N 2.86Å; E522-S526 VanDerWaalsContact O-CB 3.31Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 2.98Å
523K70.6Confident65.2Low158 Ų15892.6 Ų92.669%0.68748%0.484SS*.Hα-helixtrans-62.2-35.2176-174.7-178.9-179.8-176.10112A519 E520 L527A519-K523 WeakPolarHBondContact O-CB 3.46Å; A519-K523 PolarHBondContact O-N 3.14Å; E520-K523 PolarHBondContact O-N 3.49Å; K523-L527 WeakPolarHBondContact O-CB 3.34Å; K523-L527 PolarHBondContact O-N 3.4Å
524A68.1Low65.1Low40 Ų4095.9 Ų95.933%0.33150%0.502SS..Hα-helixtrans-68.3-45.5172.700000111.7E520 R521 E522 L527 V528E520-A524 WeakPolarHBondContact O-CB 3.41Å; E520-A524 PolarHBondContact O-N 3.14Å; R521-A524 PolarHBondContact O-N 3.3Å; E522-A524 VanDerWaalsContact C-N 3.29Å; E522-A524 PolarHBondContact O-N 3.29Å; A524-L527 PolarHBondContact O-N 3.2Å; A524-V528 WeakPolarHBondContact O-CG2 3.41Å; A524-V528 PolarHBondContact O-N 3.12Å
525R66.4Low65.2Low100 Ų10094.3 Ų94.338%0.37749%0.489SS..Hα-helixtrans-57.7-47172.6-72.8173.9176.8-168-0.9110.8S503 E507 R521 E522 V528 S529S503-R525 PolarHBondContact OG-NH2 3.13Å; E507-R525 IonicContact OE1-NH1 3.8Å; E507-R525 PolarHBondContact OE1-NH1 3.23Å; E507-R525 IonicContact OE1-NH2 2.73Å; R521-R525 WeakPolarHBondContact O-CG 3.34Å; R521-R525 PolarHBondContact O-N 2.75Å; E522-R525 PolarHBondContact O-N 2.86Å; R525-V528 WeakPolarHBondContact O-CB 3.33Å; R525-V528 PolarHBondContact O-N 3.02Å; R525-S529 PolarHBondContact O-N 3.49Å; R525-S529 VanDerWaalsContact O-N 3.09Å
526S61.2Low66Low59 Ų5992.3 Ų92.341%0.41348%0.477SS..Hα-helixtrans-61.5-46.4176.5-179.30000112.6E522 V528 S529 L530E522-S526 VanDerWaalsContact O-CB 3.31Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 2.98Å; S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.45Å; S526-S529 WeakPolarHBondContact O-CB 3.49Å; S526-S529 PolarHBondContact O-N 3.09Å; S526-L530 WeakPolarHBondContact O-CG 3.48Å; S526-L530 PolarHBondContact O-N 3.47Å
527L60.3Low66.9Low104 Ų10488.4 Ų88.455%0.54547%0.474SS..Hα-helixtrans-64.3-29.9175.3-17466.7000112.5K523 A524 T531K523-L527 WeakPolarHBondContact O-CB 3.34Å; K523-L527 PolarHBondContact O-N 3.4Å; A524-L527 PolarHBondContact O-N 3.2Å; L527-T531 VanDerWaalsContact O-CG2 3.31Å; L527-T531 WeakPolarHBondContact O-CG2 3.46Å; L527-T531 PolarHBondContact O-N 3.09Å; L527-T531 PolarHBondContact O-OG1 2.96Å
528V61.5Low68Low49 Ų4991.2 Ų91.230%0.29749%0.485SS..Hα-helixtrans-64.4-48.6170-179.40000109.8K496 A524 R525 S526 T531K496-V528 VanDerWaalsContact CE-CG2 3.49Å; A524-V528 WeakPolarHBondContact O-CG2 3.41Å; A524-V528 PolarHBondContact O-N 3.12Å; R525-V528 WeakPolarHBondContact O-CB 3.33Å; R525-V528 PolarHBondContact O-N 3.02Å; S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.45Å; V528-T531 CarbonylContact O-C 3.53Å; V528-T531 PolarHBondContact O-N 2.9Å; V528-T531 PolarHBondContact O-OG1 3.34Å
529S57.6Low69.1Low71 Ų7192.2 Ų92.250%0.49749%0.491SS..Hα-helixtrans-63.1-46.8-178.3-153.10000113R525 S526 T531 D532 E533R525-S529 PolarHBondContact O-N 3.49Å; R525-S529 VanDerWaalsContact O-N 3.09Å; S526-S529 WeakPolarHBondContact O-CB 3.49Å; S526-S529 PolarHBondContact O-N 3.09Å; S529-T531 PolarHBondContact O-N 3.46Å; S529-D532 WeakPolarHBondContact O-CA 3.35Å; S529-D532 PolarHBondContact O-N 3.05Å; S529-E533 PolarHBondContact O-N 3.49Å; S529-E533 VanDerWaalsContact O-N 3.07Å
530L56.3Low70.1Confident106 Ų10694.5 Ų94.556%0.55549%0.492SS*.Hα-helixtrans-60.6-27.7175.9-68165.9000112.3S526 D532 N534S526-L530 WeakPolarHBondContact O-CG 3.48Å; S526-L530 PolarHBondContact O-N 3.47Å; L530-D532 VanDerWaalsContact C-N 3.26Å; L530-D532 PolarHBondContact O-N 2.71Å; L530-N534 PolarHBondContact O-N 3.34Å
531T57.6Low71.2Confident52 Ų5293 Ų9332%0.31949%0.485SS..Hα-helixtrans-85.417.9171.162.70000114.8K496 L527 V528 S529 L535 R543K496-T531 PolarHBondContact NZ-OG1 2.85Å; K496-T531 VanDerWaalsContact NZ-OG1 3.16Å; L527-T531 VanDerWaalsContact O-CG2 3.31Å; L527-T531 WeakPolarHBondContact O-CG2 3.46Å; L527-T531 PolarHBondContact O-N 3.09Å; L527-T531 PolarHBondContact O-OG1 2.96Å; V528-T531 CarbonylContact O-C 3.53Å; V528-T531 PolarHBondContact O-N 2.9Å; V528-T531 PolarHBondContact O-OG1 3.34Å; S529-T531 PolarHBondContact O-N 3.46Å; T531-L535 WeakPolarHBondContact O-CD1 3.32Å; T531-R543 PolarHBondContact O-NH1 3.2Å; T531-R543 PolarHBondContact O-NH2 3.15Å
532D57.7Low72.3Confident49 Ų4993.7 Ų93.726%0.26249%0.491SS..Hα-helixtrans-126.2-27.7167.3-151.674.3000111.8S529 L530 K540 R543S529-D532 WeakPolarHBondContact O-CA 3.35Å; S529-D532 PolarHBondContact O-N 3.05Å; L530-D532 VanDerWaalsContact C-N 3.26Å; L530-D532 PolarHBondContact O-N 2.71Å; D532-K540 VanDerWaalsContact OD2-CE 3.24Å; D532-K540 WeakPolarHBondContact OD2-CE 3.41Å; D532-K540 IonicContact OD2-NZ 3.72Å; D532-K540 PolarHBondContact OD2-NZ 2.87Å; D532-R543 IonicContact OD1-CZ 3.55Å; D532-R543 IonicContact OD1-NH1 3.53Å; D532-R543 PolarHBondContact OD1-NH1 3.13Å
533E59.7Low73.5Confident153 Ų15392.2 Ų92.272%0.71548%0.48SS*.Hα-helixtrans-67.7-38.7171-67.1-75110.700113S529 L535S529-E533 PolarHBondContact O-N 3.49Å; S529-E533 VanDerWaalsContact O-N 3.07Å; E533-L535 VanDerWaalsContact C-N 3.33Å; E533-L535 PolarHBondContact O-N 3.31Å
534N66.9Low74.7Confident147 Ų14786.6 Ų86.679%0.78646%0.456SS*.THydrogen-bonded Turntrans-94.632.4-178.6-158.7101.9000112.7L530L530-N534 PolarHBondContact O-N 3.34Å
535L73.8Confident76.1Confident44 Ų4488.7 Ų88.723%0.2346%0.455CS..SBendtrans-107.2142.1173.5-67.2-179.9000111T531 E533 E539 R543T531-L535 WeakPolarHBondContact O-CD1 3.32Å; E533-L535 VanDerWaalsContact C-N 3.33Å; E533-L535 PolarHBondContact O-N 3.31Å; L535-E539 HydrophobicContact CB-CB 4.19Å; L535-E539 HydrophobicContact CD2-CB 4.2Å; L535-R543 VanDerWaalsContact CD1-NH1 3.35Å
536T84.6Confident77.5Confident78 Ų7887.5 Ų87.548%0.47946%0.457SS..  trans-63.1156.2167.562.40000110.5E538 E539 K540T536-E538 PolarHBondContact O-N 3.42Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.37Å; T536-E539 PolarHBondContact N-OE2 3.14Å; T536-E539 PolarHBondContact O-N 3.07Å; T536-E539 VanDerWaalsContact OG1-CG 3.27Å; T536-E539 WeakPolarHBondContact OG1-CG 3.26Å; T536-E539 PolarHBondContact OG1-N 3.36Å; T536-E539 PolarHBondContact OG1-OE2 3.42Å; T536-K540 PolarHBondContact O-N 3.17Å
537A86.9Confident79.3Confident89 Ų8992.6 Ų92.674%0.73647%0.467SS*.Hα-helixtrans-57.1-34.4176.500000112.2K540 E541A537-K540 PolarHBondContact O-N 3.32Å; A537-E541 PolarHBondContact O-N 3.02Å
538E89.6Confident81.1Confident150 Ų15095 Ų9570%0.70147%0.469SS*.Hα-helixtrans-67-45.4176.5-174.5174.6-173.800112.4T536 K540 E541 Q542T536-E538 PolarHBondContact O-N 3.42Å; E538-K540 VanDerWaalsContact C-N 3.29Å; E538-K540 PolarHBondContact O-N 3.29Å; E538-E541 PolarHBondContact O-N 3.31Å; E538-Q542 WeakPolarHBondContact O-CB 3.39Å; E538-Q542 PolarHBondContact O-N 3.32Å
539E92.3Very high82.8Confident94 Ų9498.2 Ų98.244%0.43948%0.484SS..Hα-helixtrans-63.5-35.7174.6-72.1165.911100112.2L535 T536 Q542 R543L535-E539 HydrophobicContact CB-CB 4.19Å; L535-E539 HydrophobicContact CD2-CB 4.2Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.37Å; T536-E539 PolarHBondContact N-OE2 3.14Å; T536-E539 PolarHBondContact O-N 3.07Å; T536-E539 VanDerWaalsContact OG1-CG 3.27Å; T536-E539 WeakPolarHBondContact OG1-CG 3.26Å; T536-E539 PolarHBondContact OG1-N 3.36Å; T536-E539 PolarHBondContact OG1-OE2 3.42Å; E539-Q542 PolarHBondContact O-N 2.96Å; E539-R543 WeakPolarHBondContact O-CB 3.22Å; E539-R543 PolarHBondContact O-N 3.36Å
540K91.2Very high84.8Confident95 Ų9597 Ų9741%0.41348%0.478SS..Hα-helixtrans-67.9-39.5175.6-163.6163.9-165.4139.80111.5D532 T536 A537 E538 E544D532-K540 VanDerWaalsContact OD2-CE 3.24Å; D532-K540 WeakPolarHBondContact OD2-CE 3.41Å; D532-K540 IonicContact OD2-NZ 3.72Å; D532-K540 PolarHBondContact OD2-NZ 2.87Å; T536-K540 PolarHBondContact O-N 3.17Å; A537-K540 PolarHBondContact O-N 3.32Å; E538-K540 VanDerWaalsContact C-N 3.29Å; E538-K540 PolarHBondContact O-N 3.29Å; K540-E544 WeakPolarHBondContact O-CB 3.24Å; K540-E544 PolarHBondContact O-N 2.88Å
541E93.9Very high86.8Confident109 Ų10996.5 Ų96.551%0.50948%0.476SS..Hα-helixtrans-69-39.1173.3-157.2-147.6119.300112.1A537 E538 E544 R545A537-E541 PolarHBondContact O-N 3.02Å; E538-E541 PolarHBondContact O-N 3.31Å; E541-E544 PolarHBondContact O-N 3.41Å; E541-R545 WeakPolarHBondContact O-CG 3.45Å; E541-R545 PolarHBondContact O-N 3.26Å; E541-R545 WeakPolarHBondContact OE1-CD 3.37Å; E541-R545 IonicContact OE1-CZ 3.94Å; E541-R545 IonicContact OE1-NE 2.84Å; E541-R545 PolarHBondContact OE1-NE 3.23Å; E541-R545 IonicContact OE1-NH2 3.97Å
542Q94.3Very high88.7Confident81 Ų8198 Ų9838%0.37948%0.482SS..Hα-helixtrans-58.8-51.8173.4179.161.549.500110.8E538 E539 E544 R545 D546E538-Q542 WeakPolarHBondContact O-CB 3.39Å; E538-Q542 PolarHBondContact O-N 3.32Å; E539-Q542 PolarHBondContact O-N 2.96Å; Q542-E544 PolarHBondContact O-N 3.4Å; Q542-R545 PolarHBondContact O-N 3.06Å; Q542-R545 VanDerWaalsContact O-N 3.13Å; Q542-D546 PolarHBondContact NE2-OD1 3.06Å; Q542-D546 VanDerWaalsContact NE2-OD1 3.11Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.02Å
543R92.8Very high90.7Very high108 Ų10898.3 Ų98.341%0.40849%0.491SS..Hα-helixtrans-54.9-38.8174.1177.8176.5-72.2-177.80.3111.9T531 D532 L535 E539 R547T531-R543 PolarHBondContact O-NH1 3.2Å; T531-R543 PolarHBondContact O-NH2 3.15Å; D532-R543 IonicContact OD1-CZ 3.55Å; D532-R543 IonicContact OD1-NH1 3.53Å; D532-R543 PolarHBondContact OD1-NH1 3.13Å; L535-R543 VanDerWaalsContact CD1-NH1 3.35Å; E539-R543 WeakPolarHBondContact O-CB 3.22Å; E539-R543 PolarHBondContact O-N 3.36Å; R543-R547 WeakPolarHBondContact O-CB 3.31Å; R543-R547 PolarHBondContact O-N 2.88Å
544E95.6Very high92.5Very high41 Ų4198.5 Ų98.519%0.19249%0.485CS..Hα-helixtrans-71.5-40.9177173.158.7177.100113.1K540 E541 Q542 R547 R548K540-E544 WeakPolarHBondContact O-CB 3.24Å; K540-E544 PolarHBondContact O-N 2.88Å; E541-E544 PolarHBondContact O-N 3.41Å; Q542-E544 PolarHBondContact O-N 3.4Å; E544-R547 PolarHBondContact O-N 3.39Å; E544-R547 IonicContact OE1-CZ 3.41Å; E544-R547 IonicContact OE1-NH2 2.64Å; E544-R547 PolarHBondContact OE1-NH2 3.11Å; E544-R547 IonicContact OE2-CZ 2.99Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.04Å; E544-R547 IonicContact OE2-NH2 3.63Å; E544-R547 PolarHBondContact OE2-NH2 3.4Å; E544-R548 VanDerWaalsContact O-CG 3.28Å; E544-R548 WeakPolarHBondContact O-CG 3.42Å; E544-R548 PolarHBondContact O-N 3.37Å; E544-R548 IonicContact OE1-CZ 3.58Å; E544-R548 IonicContact OE1-NE 2.77Å; E544-R548 PolarHBondContact OE1-NE 3.47Å; E544-R548 IonicContact OE1-NH2 2.69Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å
545R97.3Very high94.1Very high83 Ų8395.3 Ų95.331%0.31347%0.465SS..Hα-helixtrans-62.3-43.1173.6-77-172.7-84.796.5-3.3111E541 Q542 R548 L549E541-R545 WeakPolarHBondContact O-CG 3.45Å; E541-R545 PolarHBondContact O-N 3.26Å; E541-R545 WeakPolarHBondContact OE1-CD 3.37Å; E541-R545 IonicContact OE1-CZ 3.94Å; E541-R545 IonicContact OE1-NE 2.84Å; E541-R545 PolarHBondContact OE1-NE 3.23Å; E541-R545 IonicContact OE1-NH2 3.97Å; Q542-R545 PolarHBondContact O-N 3.06Å; Q542-R545 VanDerWaalsContact O-N 3.13Å; R545-R548 WeakPolarHBondContact O-CB 3.47Å; R545-R548 PolarHBondContact O-N 2.98Å; R545-L549 WeakPolarHBondContact O-CB 3.48Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.48Å; R545-L549 PolarHBondContact O-N 3.34Å
546D97.2Very high95.2Very high75 Ų75101.1 Ų101.140%0.40148%0.484SS..Hα-helixtrans-66.8-39.9176.8-65.4-31.2000112.1Q542 R548 L549 A550Q542-D546 PolarHBondContact NE2-OD1 3.06Å; Q542-D546 VanDerWaalsContact NE2-OD1 3.11Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.02Å; D546-R548 VanDerWaalsContact C-N 3.32Å; D546-R548 PolarHBondContact O-N 3.41Å; D546-L549 PolarHBondContact O-N 2.9Å; D546-A550 WeakPolarHBondContact O-CB 3.1Å; D546-A550 PolarHBondContact O-N 3.38Å
547R97.6Very high95.9Very high166 Ų166100.3 Ų100.363%0.62648%0.479SS*.Hα-helixtrans-57.2-45171.3-172.8178.472.81472.6111.5R543 E544 N551R543-R547 WeakPolarHBondContact O-CB 3.31Å; R543-R547 PolarHBondContact O-N 2.88Å; E544-R547 PolarHBondContact O-N 3.39Å; E544-R547 IonicContact OE1-CZ 3.41Å; E544-R547 IonicContact OE1-NH2 2.64Å; E544-R547 PolarHBondContact OE1-NH2 3.11Å; E544-R547 IonicContact OE2-CZ 2.99Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.04Å; E544-R547 IonicContact OE2-NH2 3.63Å; E544-R547 PolarHBondContact OE2-NH2 3.4Å; R547-N551 WeakPolarHBondContact O-CB 3.34Å; R547-N551 PolarHBondContact O-N 3.47Å; R547-N551 VanDerWaalsContact O-N 3.1Å
548R98.3Very high96.5Very high155 Ų155102.6 Ų102.659%0.58547%0.469SS*.Hα-helixtrans-64.9-45.3176.7-70.7169.9-172.1178.57.4111.7E544 R545 D546 N551 N552E544-R548 VanDerWaalsContact O-CG 3.28Å; E544-R548 WeakPolarHBondContact O-CG 3.42Å; E544-R548 PolarHBondContact O-N 3.37Å; E544-R548 IonicContact OE1-CZ 3.58Å; E544-R548 IonicContact OE1-NE 2.77Å; E544-R548 PolarHBondContact OE1-NE 3.47Å; E544-R548 IonicContact OE1-NH2 2.69Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å; R545-R548 WeakPolarHBondContact O-CB 3.47Å; R545-R548 PolarHBondContact O-N 2.98Å; D546-R548 VanDerWaalsContact C-N 3.32Å; D546-R548 PolarHBondContact O-N 3.41Å; R548-N551 PolarHBondContact O-N 2.87Å; R548-N552 WeakPolarHBondContact O-CB 3.33Å; R548-N552 PolarHBondContact O-N 3.1Å
549L98.1Very high96.9Very high117 Ų11798.1 Ų98.161%0.61345%0.452SS*.Hα-helixtrans-62.8-47.9179-73.7170.5000112R545 D546 N551 N552 A553R545-L549 WeakPolarHBondContact O-CB 3.48Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.48Å; R545-L549 PolarHBondContact O-N 3.34Å; D546-L549 PolarHBondContact O-N 2.9Å; L549-N551 VanDerWaalsContact C-N 3.31Å; L549-N551 PolarHBondContact O-N 3.41Å; L549-N552 WeakPolarHBondContact O-CB 3.37Å; L549-N552 PolarHBondContact O-N 2.8Å; L549-A553 PolarHBondContact O-N 3.31Å
550A98.1Very high97.2Very high46 Ų46100.5 Ų100.538%0.3846%0.457SS..Hα-helixtrans-60.5-40176.600000111.9D546 A553 R554D546-A550 WeakPolarHBondContact O-CB 3.1Å; D546-A550 PolarHBondContact O-N 3.38Å; A550-A553 PolarHBondContact O-N 2.64Å; A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 3.3Å; A550-R554 VanDerWaalsContact O-N 3.07Å
551N98.6Very high97.6Very high95 Ų95100.1 Ų100.151%0.50846%0.459SS..Hα-helixtrans-67.7-41.1175.7-153.420.1000112R547 R548 L549 A553 R554 E555R547-N551 WeakPolarHBondContact O-CB 3.34Å; R547-N551 PolarHBondContact O-N 3.47Å; R547-N551 VanDerWaalsContact O-N 3.1Å; R548-N551 PolarHBondContact O-N 2.87Å; L549-N551 VanDerWaalsContact C-N 3.31Å; L549-N551 PolarHBondContact O-N 3.41Å; N551-A553 VanDerWaalsContact C-N 3.3Å; N551-A553 PolarHBondContact O-N 3.01Å; N551-R554 PolarHBondContact O-N 2.73Å; N551-R554 PolarHBondContact OD1-NH2 2.91Å; N551-E555 PolarHBondContact O-N 3.37Å
552N98.8Very high97.8Very high84 Ų8497.8 Ų97.845%0.44945%0.449SS..Hα-helixtrans-61.1-38.5174.2-130.8-100.5000112R548 L549 R556R548-N552 WeakPolarHBondContact O-CB 3.33Å; R548-N552 PolarHBondContact O-N 3.1Å; L549-N552 WeakPolarHBondContact O-CB 3.37Å; L549-N552 PolarHBondContact O-N 2.8Å; N552-R556 WeakPolarHBondContact O-CB 3.43Å; N552-R556 WeakPolarHBondContact O-CD 3.46Å; N552-R556 WeakPolarHBondContact O-CG 3.17Å; N552-R556 PolarHBondContact O-N 3.15Å; N552-R556 PolarHBondContact OD1-NE 3.4Å; N552-R556 VanDerWaalsContact OD1-NE 3.13Å; N552-R556 PolarHBondContact OD1-NH2 2.87Å
553A98.8Very high98Very high54 Ų5496.6 Ų96.645%0.44645%0.446SS..Hα-helixtrans-64.9-46.6176.200000111.8L549 A550 N551 R556 V557L549-A553 PolarHBondContact O-N 3.31Å; A550-A553 PolarHBondContact O-N 2.64Å; N551-A553 VanDerWaalsContact C-N 3.3Å; N551-A553 PolarHBondContact O-N 3.01Å; A553-R556 PolarHBondContact O-N 3.4Å; A553-V557 PolarHBondContact O-N 3.38Å
554R98.8Very high98.3Very high157 Ų15796.6 Ų96.659%0.59245%0.45SS*.Hα-helixtrans-60.2-45.9176-71.3-173.8-62.9-126.82.6112.3A550 N551 R556 V557 R558A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 3.3Å; A550-R554 VanDerWaalsContact O-N 3.07Å; N551-R554 PolarHBondContact O-N 2.73Å; N551-R554 PolarHBondContact OD1-NH2 2.91Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 2.87Å; R554-V557 PolarHBondContact O-N 3.19Å; R554-V557 VanDerWaalsContact O-N 3.14Å; R554-R558 PolarHBondContact O-N 3.26Å
555E98.7Very high98.5Very high80 Ų8097.7 Ų97.737%0.37447%0.466SS..Hα-helixtrans-66.3-34.6179.2-177.159.4-170.600112.3N551 V557 R558 V559N551-E555 PolarHBondContact O-N 3.37Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 2.78Å; E555-R558 PolarHBondContact O-N 3.13Å; E555-R558 IonicContact OE1-CZ 3.46Å; E555-R558 IonicContact OE1-NE 3.14Å; E555-R558 IonicContact OE1-NH2 2.82Å; E555-R558 PolarHBondContact OE1-NH2 3.42Å; E555-R558 IonicContact OE2-CZ 2.75Å; E555-R558 IonicContact OE2-NE 3.95Å; E555-R558 PolarHBondContact OE2-NE 2.72Å; E555-R558 IonicContact OE2-NH2 2.76Å; E555-R558 PolarHBondContact OE2-NH2 2.88Å; E555-V559 HydrophobicContact CG-CG2 4.24Å; E555-V559 WeakPolarHBondContact O-CB 3.35Å; E555-V559 VanDerWaalsContact O-CG2 3.29Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 2.96Å; E555-V559 WeakPolarHBondContact OE1-CG2 3.44Å
556R98.8Very high98.5Very high167 Ų16795.7 Ų95.763%0.6346%0.46SS*.Hα-helixtrans-64-31.4172.9-73.2168.3-165.2-156.15113N552 A553 R554 R560N552-R556 WeakPolarHBondContact O-CB 3.43Å; N552-R556 WeakPolarHBondContact O-CD 3.46Å; N552-R556 WeakPolarHBondContact O-CG 3.17Å; N552-R556 PolarHBondContact O-N 3.15Å; N552-R556 PolarHBondContact OD1-NE 3.4Å; N552-R556 VanDerWaalsContact OD1-NE 3.13Å; N552-R556 PolarHBondContact OD1-NH2 2.87Å; A553-R556 PolarHBondContact O-N 3.4Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 2.87Å; R556-R560 WeakPolarHBondContact O-CB 3.34Å; R556-R560 PolarHBondContact O-N 2.95Å
557V98.8Very high98.6Very high61 Ų6198.5 Ų98.537%0.3747%0.465SS..Hα-helixtrans-71.2-55.1171.4175.20000109.5A553 R554 E555 V559 R560 D561A553-V557 PolarHBondContact O-N 3.38Å; R554-V557 PolarHBondContact O-N 3.19Å; R554-V557 VanDerWaalsContact O-N 3.14Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 2.78Å; V557-V559 VanDerWaalsContact C-N 3.26Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V559 VanDerWaalsContact O-N 3.13Å; V557-R560 WeakPolarHBondContact O-CA 3.38Å; V557-R560 VanDerWaalsContact O-CB 3.24Å; V557-R560 WeakPolarHBondContact O-CB 3.43Å; V557-R560 PolarHBondContact O-N 3.29Å; V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.88Å
558R98.8Very high98.6Very high137 Ų13794.6 Ų94.652%0.51745%0.454SS..Hα-helixtrans-52.3-42.5179-163.8-175.172.9104.62.6113.1R554 E555 D561 I562R554-R558 PolarHBondContact O-N 3.26Å; E555-R558 PolarHBondContact O-N 3.13Å; E555-R558 IonicContact OE1-CZ 3.46Å; E555-R558 IonicContact OE1-NE 3.14Å; E555-R558 IonicContact OE1-NH2 2.82Å; E555-R558 PolarHBondContact OE1-NH2 3.42Å; E555-R558 IonicContact OE2-CZ 2.75Å; E555-R558 IonicContact OE2-NE 3.95Å; E555-R558 PolarHBondContact OE2-NE 2.72Å; E555-R558 IonicContact OE2-NH2 2.76Å; E555-R558 PolarHBondContact OE2-NH2 2.88Å; R558-D561 PolarHBondContact O-N 2.86Å; R558-I562 HydrophobicContact CG-CD1 4.14Å; R558-I562 WeakPolarHBondContact O-CB 3.39Å; R558-I562 WeakPolarHBondContact O-CD1 3.42Å; R558-I562 VanDerWaalsContact O-CG1 3.24Å; R558-I562 WeakPolarHBondContact O-CG1 3.48Å; R558-I562 PolarHBondContact O-N 2.98Å
559V98.9Very high98.6Very high56 Ų5690.1 Ų90.134%0.33944%0.441SS..Hα-helixtrans-69.3-34.8176.6170.40000112.4E555 V557 N563E555-V559 HydrophobicContact CG-CG2 4.24Å; E555-V559 WeakPolarHBondContact O-CB 3.35Å; E555-V559 VanDerWaalsContact O-CG2 3.29Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 2.96Å; E555-V559 WeakPolarHBondContact OE1-CG2 3.44Å; V557-V559 VanDerWaalsContact C-N 3.26Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V559 VanDerWaalsContact O-N 3.13Å; V559-N563 VanDerWaalsContact O-CB 3.31Å; V559-N563 WeakPolarHBondContact O-CB 3.29Å; V559-N563 PolarHBondContact O-N 2.98Å; V559-N563 PolarHBondContact O-ND2 3.24Å; V559-N563 VanDerWaalsContact O-ND2 3.09Å; V559-N563 PolarHBondContact O-OD1 3.39Å
560R98.7Very high98.6Very high144 Ų14484.5 Ų84.554%0.54341%0.412SS..Hα-helixtrans-62.5-46.2173.2-175.3-162.1-57.4152.91.6110.7R556 V557 N563 E564R556-R560 WeakPolarHBondContact O-CB 3.34Å; R556-R560 PolarHBondContact O-N 2.95Å; V557-R560 WeakPolarHBondContact O-CA 3.38Å; V557-R560 VanDerWaalsContact O-CB 3.24Å; V557-R560 WeakPolarHBondContact O-CB 3.43Å; V557-R560 PolarHBondContact O-N 3.29Å; R560-N563 CarbonylContact O-C 3.36Å; R560-N563 WeakPolarHBondContact O-CA 3.49Å; R560-N563 WeakPolarHBondContact O-CB 3.26Å; R560-N563 PolarHBondContact O-N 3.49Å; R560-N563 VanDerWaalsContact O-N 3.09Å; R560-E564 PolarHBondContact O-N 3.35Å
561D98.8Very high98.6Very high86 Ų8689.8 Ų89.846%0.4642%0.422SS..Hα-helixtrans-69.5-41.8-175.3-50-22.6000110.5V557 R558 N563 E564 A565V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.88Å; R558-D561 PolarHBondContact O-N 2.86Å; D561-N563 VanDerWaalsContact C-N 3.3Å; D561-N563 PolarHBondContact O-N 3.26Å; D561-E564 WeakPolarHBondContact O-CA 3.07Å; D561-E564 WeakPolarHBondContact O-CB 3.34Å; D561-E564 PolarHBondContact O-N 3.33Å; D561-A565 PolarHBondContact O-N 2.86Å
562I98.8Very high98.6Very high61 Ų6190.2 Ų90.231%0.31342%0.422SS..Hα-helixtrans-57.7-42.8168.5-70.6165.8000110.9R558 E564 F566R558-I562 HydrophobicContact CG-CD1 4.14Å; R558-I562 WeakPolarHBondContact O-CB 3.39Å; R558-I562 WeakPolarHBondContact O-CD1 3.42Å; R558-I562 VanDerWaalsContact O-CG1 3.24Å; R558-I562 WeakPolarHBondContact O-CG1 3.48Å; R558-I562 PolarHBondContact O-N 2.98Å; I562-E564 PolarHBondContact O-N 2.82Å; I562-F566 HydrophobicContact CG2-CD2 3.88Å; I562-F566 HydrophobicContact CG2-CE2 4.06Å; I562-F566 WeakPolarHBondContact O-CB 3.47Å; I562-F566 WeakPolarHBondContact O-CD2 3.43Å; I562-F566 PolarHBondContact O-N 2.84Å
563N98.7Very high98.6Very high56 Ų5686.4 Ų86.430%0.29940%0.402SS..Hα-helixtrans-69.2-19.1175.9-68.6-22.7000113.1V559 R560 D561 R567 K585V559-N563 VanDerWaalsContact O-CB 3.31Å; V559-N563 WeakPolarHBondContact O-CB 3.29Å; V559-N563 PolarHBondContact O-N 2.98Å; V559-N563 PolarHBondContact O-ND2 3.24Å; V559-N563 VanDerWaalsContact O-ND2 3.09Å; V559-N563 PolarHBondContact O-OD1 3.39Å; R560-N563 CarbonylContact O-C 3.36Å; R560-N563 WeakPolarHBondContact O-CA 3.49Å; R560-N563 WeakPolarHBondContact O-CB 3.26Å; R560-N563 PolarHBondContact O-N 3.49Å; R560-N563 VanDerWaalsContact O-N 3.09Å; D561-N563 VanDerWaalsContact C-N 3.3Å; D561-N563 PolarHBondContact O-N 3.26Å; N563-R567 WeakPolarHBondContact O-CG 3.18Å; N563-R567 PolarHBondContact O-N 3.39Å; N563-R567 PolarHBondContact O-NE 2.9Å; N563-K585 WeakPolarHBondContact OD1-CE 3.43Å; N563-K585 PolarHBondContact OD1-NZ 2.93Å
564E98.8Very high98.5Very high108 Ų10887 Ų8751%0.50540%0.395SS..Hα-helixtrans-79.2-50.6172.4-163.3124.913500111R560 D561 I562 F566 R567 E568R560-E564 PolarHBondContact O-N 3.35Å; D561-E564 WeakPolarHBondContact O-CA 3.07Å; D561-E564 WeakPolarHBondContact O-CB 3.34Å; D561-E564 PolarHBondContact O-N 3.33Å; I562-E564 PolarHBondContact O-N 2.82Å; E564-F566 PolarHBondContact O-N 2.76Å; E564-R567 VanDerWaalsContact CB-NH2 3.35Å; E564-R567 WeakPolarHBondContact O-CA 3.49Å; E564-R567 WeakPolarHBondContact O-CB 3.29Å; E564-R567 PolarHBondContact O-N 3.39Å; E564-R567 IonicContact OE2-CZ 2.67Å; E564-R567 IonicContact OE2-NH1 3.03Å; E564-R567 PolarHBondContact OE2-NH1 3.49Å; E564-R567 IonicContact OE2-NH2 2.73Å; E564-R567 PolarHBondContact OE2-NH2 3.21Å; E564-E568 PolarHBondContact O-N 3.37Å
565A98.8Very high98.5Very high64 Ų6484.7 Ų84.753%0.52940%0.399SS..Hα-helixtrans-55.9-38.6173.300000112.3D561 E568 L569D561-A565 PolarHBondContact O-N 2.86Å; A565-E568 PolarHBondContact O-N 3.44Å; A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.41Å
566F98.8Very high98.4Very high40 Ų4085.8 Ų85.818%0.17540%0.404CS..Hα-helixtrans-63.9-40.3172.6-97.7-69.8000113.5I562 E564 E568 G570 K585 I588 L589I562-F566 HydrophobicContact CG2-CD2 3.88Å; I562-F566 HydrophobicContact CG2-CE2 4.06Å; I562-F566 WeakPolarHBondContact O-CB 3.47Å; I562-F566 WeakPolarHBondContact O-CD2 3.43Å; I562-F566 PolarHBondContact O-N 2.84Å; E564-F566 PolarHBondContact O-N 2.76Å; F566-E568 VanDerWaalsContact C-N 3.33Å; F566-G570 PolarHBondContact O-N 3.34Å; F566-K585 HydrophobicContact CD1-CB 4.07Å; F566-K585 HydrophobicContact CD1-CG 3.94Å; F566-K585 HydrophobicContact CD2-CD 3.96Å; F566-K585 HydrophobicContact CD2-CG 4.16Å; F566-K585 HydrophobicContact CE1-CB 3.72Å; F566-K585 HydrophobicContact CE1-CG 4.03Å; F566-K585 WeakPolarHBondContact CE1-O 3.46Å; F566-K585 HydrophobicContact CE2-CB 4.48Å; F566-K585 HydrophobicContact CE2-CD 3.9Å; F566-K585 HydrophobicContact CE2-CG 4.25Å; F566-K585 HydrophobicContact CG-CD 4.32Å; F566-K585 HydrophobicContact CG-CG 4.01Å; F566-K585 HydrophobicContact CZ-CB 3.95Å; F566-K585 HydrophobicContact CZ-CD 4.2Å; F566-K585 HydrophobicContact CZ-CG 4.19Å; F566-I588 HydrophobicContact CD1-CB 4.15Å; F566-I588 HydrophobicContact CD1-CD1 4.06Å; F566-I588 HydrophobicContact CD1-CG2 4.03Å; F566-I588 HydrophobicContact CE1-CB 4.37Å; F566-I588 HydrophobicContact CE1-CG2 4.39Å; F566-L589 HydrophobicContact CE1-CD2 3.96Å; F566-L589 HydrophobicContact CE1-CG 3.93Å; F566-L589 HydrophobicContact CZ-CD1 4.26Å; F566-L589 HydrophobicContact CZ-CD2 4.03Å; F566-L589 HydrophobicContact CZ-CG 4.11Å
567R98.2Very high98.3Very high134 Ų13480.8 Ų80.851%0.50639%0.389SS..Hα-helixtrans-63.9-41175.4-81.2173.3-78140.4-5110.8N563 E564 G570 R571N563-R567 WeakPolarHBondContact O-CG 3.18Å; N563-R567 PolarHBondContact O-N 3.39Å; N563-R567 PolarHBondContact O-NE 2.9Å; E564-R567 VanDerWaalsContact CB-NH2 3.35Å; E564-R567 WeakPolarHBondContact O-CA 3.49Å; E564-R567 WeakPolarHBondContact O-CB 3.29Å; E564-R567 PolarHBondContact O-N 3.39Å; E564-R567 IonicContact OE2-CZ 2.67Å; E564-R567 IonicContact OE2-NH1 3.03Å; E564-R567 PolarHBondContact OE2-NH1 3.49Å; E564-R567 IonicContact OE2-NH2 2.73Å; E564-R567 PolarHBondContact OE2-NH2 3.21Å; R567-G570 PolarHBondContact O-N 3.2Å; R567-R571 WeakPolarHBondContact O-CG 3.38Å; R567-R571 PolarHBondContact O-N 2.95Å; R567-R571 VanDerWaalsContact O-N 3.1Å
568E98.5Very high98.1Very high85 Ų8586.4 Ų86.440%0.39741%0.411SS..Hα-helixtrans-67-51.2179-164.356.6-148.300112.6E564 A565 F566 G570 R571 M572E564-E568 PolarHBondContact O-N 3.37Å; A565-E568 PolarHBondContact O-N 3.44Å; F566-E568 VanDerWaalsContact C-N 3.33Å; E568-G570 PolarHBondContact O-N 2.97Å; E568-R571 WeakPolarHBondContact O-CB 3.49Å; E568-R571 PolarHBondContact O-N 3.19Å; E568-R571 IonicContact OE1-CZ 3.85Å; E568-R571 IonicContact OE1-NE 3.21Å; E568-R571 IonicContact OE1-NH2 3.46Å; E568-R571 PolarHBondContact OE1-NH2 2.68Å; E568-R571 IonicContact OE2-CZ 3.29Å; E568-R571 VanDerWaalsContact OE2-CZ 3.29Å; E568-R571 IonicContact OE2-NE 3.7Å; E568-R571 PolarHBondContact OE2-NE 2.78Å; E568-R571 IonicContact OE2-NH2 2.63Å; E568-R571 PolarHBondContact OE2-NH2 2.91Å; E568-M572 PolarHBondContact O-N 3.45Å
569L98.6Very high97.7Very high60 Ų6081 Ų8131%0.31439%0.394SS..Hα-helixtrans-58.2-37.5176.6-175.960.2000111.4A565 M572 C573 I588 A592A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.41Å; L569-M572 PolarHBondContact O-N 3.41Å; L569-C573 WeakPolarHBondContact O-CB 3.39Å; L569-C573 PolarHBondContact O-N 3.03Å; L569-C573 PolarHBondContact O-SG 2.98Å; L569-I588 HydrophobicContact CB-CG2 3.97Å; L569-I588 HydrophobicContact CD2-CG2 3.87Å; L569-I588 HydrophobicContact CG-CG2 3.69Å; L569-A592 HydrophobicContact CD1-CB 3.96Å; L569-A592 HydrophobicContact CD2-CB 4.1Å; L569-A592 HydrophobicContact CG-CB 4.21Å
570G98.3Very high97.4Very high0 Ų085.1 Ų85.10%041%0.414CS..Hα-helixtrans-57.5-49.6172.100000113.1F566 R567 E568 C573 Q574 Q583F566-G570 PolarHBondContact O-N 3.34Å; R567-G570 PolarHBondContact O-N 3.2Å; E568-G570 PolarHBondContact O-N 2.97Å; G570-C573 PolarHBondContact O-N 3.2Å; G570-Q574 WeakPolarHBondContact O-CB 3.49Å; G570-Q574 PolarHBondContact O-N 3.32Å; G570-Q583 VanDerWaalsContact C-OE1 3.29Å; G570-Q583 PolarHBondContact O-NE2 2.91Å; G570-Q583 PolarHBondContact O-OE1 3Å
571R98.1Very high97.1Very high156 Ų15685.5 Ų85.559%0.58942%0.42SS*.Hα-helixtrans-59.7-47.4175.6-67-163.2-66164.6-9.5112R567 E568 C573 Q574 V575R567-R571 WeakPolarHBondContact O-CG 3.38Å; R567-R571 PolarHBondContact O-N 2.95Å; R567-R571 VanDerWaalsContact O-N 3.1Å; E568-R571 WeakPolarHBondContact O-CB 3.49Å; E568-R571 PolarHBondContact O-N 3.19Å; E568-R571 IonicContact OE1-CZ 3.85Å; E568-R571 IonicContact OE1-NE 3.21Å; E568-R571 IonicContact OE1-NH2 3.46Å; E568-R571 PolarHBondContact OE1-NH2 2.68Å; E568-R571 IonicContact OE2-CZ 3.29Å; E568-R571 VanDerWaalsContact OE2-CZ 3.29Å; E568-R571 IonicContact OE2-NE 3.7Å; E568-R571 PolarHBondContact OE2-NE 2.78Å; E568-R571 IonicContact OE2-NH2 2.63Å; E568-R571 PolarHBondContact OE2-NH2 2.91Å; R571-C573 VanDerWaalsContact C-N 3.32Å; R571-C573 PolarHBondContact O-N 2.67Å; R571-Q574 PolarHBondContact O-N 3.16Å; R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 2.75Å; R571-V575 VanDerWaalsContact O-N 3.1Å
572M98.1Very high96.9Very high105 Ų10586.2 Ų86.252%0.51744%0.438SS..Hα-helixtrans-58.5-44.3177.2-66.2-178.47300111.7E568 L569 V575 H576E568-M572 PolarHBondContact O-N 3.45Å; L569-M572 PolarHBondContact O-N 3.41Å; M572-V575 PolarHBondContact O-N 3.25Å; M572-H576 PolarHBondContact O-CD2 2.81Å; M572-H576 PolarHBondContact O-N 2.82Å
573C98.3Very high96.7Very high3 Ų386 Ų862%0.0244%0.436CS..Hα-helixtrans-64.8-41.6177.9-70.10000112.7L569 G570 R571 V575 H576 L577 Q591 A592L569-C573 WeakPolarHBondContact O-CB 3.39Å; L569-C573 PolarHBondContact O-N 3.03Å; L569-C573 PolarHBondContact O-SG 2.98Å; G570-C573 PolarHBondContact O-N 3.2Å; R571-C573 VanDerWaalsContact C-N 3.32Å; R571-C573 PolarHBondContact O-N 2.67Å; C573-V575 VanDerWaalsContact C-N 3.35Å; C573-V575 PolarHBondContact O-N 2.99Å; C573-H576 PolarHBondContact O-N 2.69Å; C573-L577 WeakPolarHBondContact O-CB 3.42Å; C573-L577 WeakPolarHBondContact O-CG 3.34Å; C573-L577 PolarHBondContact O-N 2.73Å; C573-Q591 HydrophobicContact CB-CB 3.92Å; C573-A592 WeakPolarHBondContact SG-CA 3.39Å; C573-A592 PolarHBondContact SG-N 2.87Å
574Q97.6Very high96.7Very high66 Ų6687.3 Ų87.331%0.30845%0.445SS..Hα-helixtrans-61.6-42.1178.2178.8171.75.500111.6G570 R571 Q578 S579 D580G570-Q574 WeakPolarHBondContact O-CB 3.49Å; G570-Q574 PolarHBondContact O-N 3.32Å; R571-Q574 PolarHBondContact O-N 3.16Å; Q574-Q578 WeakPolarHBondContact O-CA 3.46Å; Q574-Q578 PolarHBondContact O-N 2.84Å; Q574-S579 PolarHBondContact O-N 2.76Å; Q574-D580 PolarHBondContact NE2-OD1 2.74Å
575V96.9Very high96.7Very high110 Ų11086.8 Ų86.867%0.66744%0.442SS*.Hα-helixtrans-63.1-47.4177171.70000111.5R571 M572 C573R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 2.75Å; R571-V575 VanDerWaalsContact O-N 3.1Å; M572-V575 PolarHBondContact O-N 3.25Å; C573-V575 VanDerWaalsContact C-N 3.35Å; C573-V575 PolarHBondContact O-N 2.99Å
576H96.8Very high96.7Very high103 Ų10389 Ų8948%0.47744%0.444SS..Hα-helixtrans-73.2-26.4-178.5-78.9-69.3000114.5M572 C573 V595M572-H576 PolarHBondContact O-CD2 2.81Å; M572-H576 PolarHBondContact O-N 2.82Å; C573-H576 PolarHBondContact O-N 2.69Å; H576-V595 HydrophobicContact CB-CB 4.36Å; H576-V595 HydrophobicContact CB-CG1 3.68Å; H576-V595 HydrophobicContact CB-CG2 3.67Å
577L96.3Very high96.6Very high62 Ų6289.1 Ų89.133%0.32545%0.448SS..Hα-helixtrans-100.1-4.3179.7-66.1169.7000114.2C573 S579 Q591 Q594 V595C573-L577 WeakPolarHBondContact O-CB 3.42Å; C573-L577 WeakPolarHBondContact O-CG 3.34Å; C573-L577 PolarHBondContact O-N 2.73Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.47Å; L577-Q591 HydrophobicContact CD1-CB 3.5Å; L577-Q591 VanDerWaalsContact CD1-CB 3.5Å; L577-Q591 HydrophobicContact CD1-CG 3.48Å; L577-Q591 VanDerWaalsContact CD1-CG 3.48Å; L577-Q594 HydrophobicContact CD2-CG 4.15Å; L577-V595 HydrophobicContact CD1-CG2 3.93Å; L577-V595 HydrophobicContact CD2-CG2 3.99Å; L577-V595 HydrophobicContact CG-CG2 3.61Å
578Q94.9Very high96.7Very high179 Ų17983.3 Ų83.384%0.83643%0.427SS*.THydrogen-bonded Turntrans49.447.1-175.7-59.3179.5-14.600111.8Q574Q574-Q578 WeakPolarHBondContact O-CA 3.46Å; Q574-Q578 PolarHBondContact O-N 2.84Å
579S91.9Very high96.7Very high22 Ų2283.4 Ų83.415%0.15443%0.429CS..  trans-12792.1-163.3-147.10000113.9Q574 L577 K581Q574-S579 PolarHBondContact O-N 2.76Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.47Å; S579-K581 PolarHBondContact O-N 2.77Å
580D92.5Very high96.6Very high143 Ų14386 Ų8677%0.76544%0.44SS*.  trans-75.835.5179.1-55.1-41.5000113.7Q574Q574-D580 PolarHBondContact NE2-OD1 2.74Å
581K91.4Very high96.6Very high152 Ų15287 Ų8766%0.66145%0.445SS*.PPolyproline II helixtrans-87.2137.7177.2-66.6178.8-178.8175.20109.6S579 Q583S579-K581 PolarHBondContact O-N 2.77Å; K581-Q583 PolarHBondContact O-N 2.83Å; K581-Q583 VanDerWaalsContact O-N 3.12Å
582A93.9Very high96.7Very high101 Ų10180.1 Ų80.184%0.83542%0.421SS*.PPolyproline II helixtrans-56118.6174.100000110.9
583Q95.9Very high96.7Very high58 Ų5879.2 Ų79.227%0.27142%0.421SS..PPolyproline II helixtrans-90.4130-173.8-82174.4-21.400111.9G570 K581 I588G570-Q583 VanDerWaalsContact C-OE1 3.29Å; G570-Q583 PolarHBondContact O-NE2 2.91Å; G570-Q583 PolarHBondContact O-OE1 3Å; K581-Q583 PolarHBondContact O-N 2.83Å; K581-Q583 VanDerWaalsContact O-N 3.12Å; Q583-I588 HydrophobicContact CB-CD1 3.99Å; Q583-I588 HydrophobicContact CB-CG1 3.75Å; Q583-I588 HydrophobicContact CG-CG1 4.01Å
584T98.3Very high96.7Very high82 Ų8284.3 Ų84.350%0.50345%0.445SS..PPolyproline II helixtrans-101.1162.4162.671.60000109.6L586 V587 I588T584-L586 PolarHBondContact O-N 2.87Å; T584-V587 PolarHBondContact O-N 2.85Å; T584-V587 WeakPolarHBondContact OG1-CG2 3.41Å; T584-V587 PolarHBondContact OG1-N 2.77Å; T584-I588 WeakPolarHBondContact O-CG1 3.22Å; T584-I588 PolarHBondContact O-N 3.07Å
585K98.6Very high96.7Very high98 Ų9881.9 Ų81.943%0.42643%0.434SS..Hα-helixtrans-50.8-43.9177.1-69.4-170.1174.9-171.80112.9N563 F566 I588 L589N563-K585 WeakPolarHBondContact OD1-CE 3.43Å; N563-K585 PolarHBondContact OD1-NZ 2.93Å; F566-K585 HydrophobicContact CD1-CB 4.07Å; F566-K585 HydrophobicContact CD1-CG 3.94Å; F566-K585 HydrophobicContact CD2-CD 3.96Å; F566-K585 HydrophobicContact CD2-CG 4.16Å; F566-K585 HydrophobicContact CE1-CB 3.72Å; F566-K585 HydrophobicContact CE1-CG 4.03Å; F566-K585 WeakPolarHBondContact CE1-O 3.46Å; F566-K585 HydrophobicContact CE2-CB 4.48Å; F566-K585 HydrophobicContact CE2-CD 3.9Å; F566-K585 HydrophobicContact CE2-CG 4.25Å; F566-K585 HydrophobicContact CG-CD 4.32Å; F566-K585 HydrophobicContact CG-CG 4.01Å; F566-K585 HydrophobicContact CZ-CB 3.95Å; F566-K585 HydrophobicContact CZ-CD 4.2Å; F566-K585 HydrophobicContact CZ-CG 4.19Å; K585-I588 PolarHBondContact O-N 3.09Å; K585-L589 WeakPolarHBondContact O-CG 3.35Å; K585-L589 PolarHBondContact O-N 3.41Å; K585-L589 VanDerWaalsContact O-N 3.15Å
586L98.4Very high96.8Very high110 Ų11081 Ų8158%0.57643%0.425SS*.Hα-helixtrans-63.8-44178178.960.2000111.9T584 I588 L589 Q590T584-L586 PolarHBondContact O-N 2.87Å; L586-I588 VanDerWaalsContact C-N 3.32Å; L586-I588 PolarHBondContact O-N 2.93Å; L586-L589 PolarHBondContact O-N 3.44Å; L586-Q590 HydrophobicContact CD1-CG 4.46Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.19Å
587V98.1Very high96.8Very high43 Ų4380.7 Ų80.726%0.26143%0.426SS..Hα-helixtrans-63.2-39.1176.91710000111T584 L589 Q590 Q591T584-V587 PolarHBondContact O-N 2.85Å; T584-V587 WeakPolarHBondContact OG1-CG2 3.41Å; T584-V587 PolarHBondContact OG1-N 2.77Å; V587-L589 PolarHBondContact O-N 2.98Å; V587-Q590 PolarHBondContact O-N 3.39Å; V587-Q591 HydrophobicContact CG1-CG 4.09Å; V587-Q591 VanDerWaalsContact O-CB 3.26Å; V587-Q591 WeakPolarHBondContact O-CB 3.41Å; V587-Q591 WeakPolarHBondContact O-CG 3.27Å; V587-Q591 PolarHBondContact O-N 3.42Å
588I98.4Very high96.9Very high12 Ų1280.9 Ų80.96%0.06243%0.433CS..Hα-helixtrans-62.2-43.5177.1-65162000110.9F566 L569 Q583 T584 K585 L586 Q591 A592F566-I588 HydrophobicContact CD1-CB 4.15Å; F566-I588 HydrophobicContact CD1-CD1 4.06Å; F566-I588 HydrophobicContact CD1-CG2 4.03Å; F566-I588 HydrophobicContact CE1-CB 4.37Å; F566-I588 HydrophobicContact CE1-CG2 4.39Å; L569-I588 HydrophobicContact CB-CG2 3.97Å; L569-I588 HydrophobicContact CD2-CG2 3.87Å; L569-I588 HydrophobicContact CG-CG2 3.69Å; Q583-I588 HydrophobicContact CB-CD1 3.99Å; Q583-I588 HydrophobicContact CB-CG1 3.75Å; Q583-I588 HydrophobicContact CG-CG1 4.01Å; T584-I588 WeakPolarHBondContact O-CG1 3.22Å; T584-I588 PolarHBondContact O-N 3.07Å; K585-I588 PolarHBondContact O-N 3.09Å; L586-I588 VanDerWaalsContact C-N 3.32Å; L586-I588 PolarHBondContact O-N 2.93Å; I588-Q591 PolarHBondContact O-N 3.07Å; I588-A592 WeakPolarHBondContact O-CB 3.33Å; I588-A592 PolarHBondContact O-N 2.65Å
589L98.6Very high97Very high86 Ų8675.4 Ų75.445%0.4541%0.409SS..Hα-helixtrans-63.8-45.1176-64.3176.8000112.1F566 K585 L586 V587 Q591 A592 V593F566-L589 HydrophobicContact CE1-CD2 3.96Å; F566-L589 HydrophobicContact CE1-CG 3.93Å; F566-L589 HydrophobicContact CZ-CD1 4.26Å; F566-L589 HydrophobicContact CZ-CD2 4.03Å; F566-L589 HydrophobicContact CZ-CG 4.11Å; K585-L589 WeakPolarHBondContact O-CG 3.35Å; K585-L589 PolarHBondContact O-N 3.41Å; K585-L589 VanDerWaalsContact O-N 3.15Å; L586-L589 PolarHBondContact O-N 3.44Å; V587-L589 PolarHBondContact O-N 2.98Å; L589-Q591 VanDerWaalsContact C-N 3.34Å; L589-Q591 PolarHBondContact O-N 3.18Å; L589-A592 PolarHBondContact O-N 2.84Å; L589-V593 WeakPolarHBondContact O-CG2 3.13Å; L589-V593 PolarHBondContact O-N 3.41Å; L589-V593 VanDerWaalsContact O-N 3.14Å
590Q98.2Very high97.2Very high114 Ų11478.6 Ų78.653%0.53342%0.421SS..Hα-helixtrans-61.7-41.9177.1-70.5169.9-18.400111.7L586 V587 Q594L586-Q590 HydrophobicContact CD1-CG 4.46Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.19Å; V587-Q590 PolarHBondContact O-N 3.39Å; Q590-Q594 PolarHBondContact O-N 3.26Å
591Q98.1Very high97.3Very high23 Ų2377.3 Ų77.311%0.10741%0.409CS..Hα-helixtrans-67.1-40.4176.1-75.7-176.9-19.500112.2C573 L577 V587 I588 L589 V593 Q594 V595C573-Q591 HydrophobicContact CB-CB 3.92Å; L577-Q591 HydrophobicContact CD1-CB 3.5Å; L577-Q591 VanDerWaalsContact CD1-CB 3.5Å; L577-Q591 HydrophobicContact CD1-CG 3.48Å; L577-Q591 VanDerWaalsContact CD1-CG 3.48Å; V587-Q591 HydrophobicContact CG1-CG 4.09Å; V587-Q591 VanDerWaalsContact O-CB 3.26Å; V587-Q591 WeakPolarHBondContact O-CB 3.41Å; V587-Q591 WeakPolarHBondContact O-CG 3.27Å; V587-Q591 PolarHBondContact O-N 3.42Å; I588-Q591 PolarHBondContact O-N 3.07Å; L589-Q591 VanDerWaalsContact C-N 3.34Å; L589-Q591 PolarHBondContact O-N 3.18Å; Q591-V593 PolarHBondContact O-N 2.64Å; Q591-Q594 PolarHBondContact O-N 3.43Å; Q591-V595 WeakPolarHBondContact O-CG2 3.43Å; Q591-V595 PolarHBondContact O-N 3.22Å
592A98.6Very high97.4Very high11 Ų1174 Ų749%0.09140%0.396CS..Hα-helixtrans-60.7-46.3177.800000111.8L569 C573 I588 L589 Q594 V595 I596L569-A592 HydrophobicContact CD1-CB 3.96Å; L569-A592 HydrophobicContact CD2-CB 4.1Å; L569-A592 HydrophobicContact CG-CB 4.21Å; C573-A592 WeakPolarHBondContact SG-CA 3.39Å; C573-A592 PolarHBondContact SG-N 2.87Å; I588-A592 WeakPolarHBondContact O-CB 3.33Å; I588-A592 PolarHBondContact O-N 2.65Å; L589-A592 PolarHBondContact O-N 2.84Å; A592-Q594 VanDerWaalsContact C-N 3.33Å; A592-Q594 PolarHBondContact O-N 3.02Å; A592-V595 PolarHBondContact O-N 2.95Å; A592-I596 VanDerWaalsContact O-CG1 3.3Å; A592-I596 WeakPolarHBondContact O-CG1 3.4Å; A592-I596 PolarHBondContact O-N 3.2Å
593V98.6Very high97.5Very high85 Ų8573.2 Ų73.252%0.51538%0.38SS..Hα-helixtrans-59.8-44174.7174.20000111.1L589 Q591 V595 I596 L597L589-V593 WeakPolarHBondContact O-CG2 3.13Å; L589-V593 PolarHBondContact O-N 3.41Å; L589-V593 VanDerWaalsContact O-N 3.14Å; Q591-V593 PolarHBondContact O-N 2.64Å; V593-V595 PolarHBondContact O-N 2.74Å; V593-I596 PolarHBondContact O-N 3.3Å; V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.33Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.32Å; V593-L597 WeakPolarHBondContact O-CG 3.28Å; V593-L597 PolarHBondContact O-N 3.18Å
594Q98.1Very high97.3Very high110 Ų11077.4 Ų77.451%0.51439%0.394SS..Hα-helixtrans-64-37177.8-178.257.873.300113L577 Q590 Q591 A592 S598L577-Q594 HydrophobicContact CD2-CG 4.15Å; Q590-Q594 PolarHBondContact O-N 3.26Å; Q591-Q594 PolarHBondContact O-N 3.43Å; A592-Q594 VanDerWaalsContact C-N 3.33Å; A592-Q594 PolarHBondContact O-N 3.02Å; Q594-S598 VanDerWaalsContact O-CB 3.22Å; Q594-S598 WeakPolarHBondContact O-CB 3.11Å; Q594-S598 PolarHBondContact O-N 3.19Å
595V98.4Very high96.8Very high15 Ų1579 Ų799%0.09140%0.396CS..Hα-helixtrans-67.9-49.4175.5168.60000110.7H576 L577 Q591 A592 V593 S598 L599H576-V595 HydrophobicContact CB-CB 4.36Å; H576-V595 HydrophobicContact CB-CG1 3.68Å; H576-V595 HydrophobicContact CB-CG2 3.67Å; L577-V595 HydrophobicContact CD1-CG2 3.93Å; L577-V595 HydrophobicContact CD2-CG2 3.99Å; L577-V595 HydrophobicContact CG-CG2 3.61Å; Q591-V595 WeakPolarHBondContact O-CG2 3.43Å; Q591-V595 PolarHBondContact O-N 3.22Å; A592-V595 PolarHBondContact O-N 2.95Å; V593-V595 PolarHBondContact O-N 2.74Å; V595-S598 PolarHBondContact O-N 3.06Å; V595-L599 HydrophobicContact CG1-CD1 3.68Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.37Å; V595-L599 WeakPolarHBondContact O-CG 3.31Å; V595-L599 PolarHBondContact O-N 3.4Å
596I98.4Very high96.2Very high92 Ų9282.9 Ų82.947%0.47241%0.408SS..Hα-helixtrans-58.4-53179.9-68.8164.6000110.4A592 V593 S598 L599 E600A592-I596 VanDerWaalsContact O-CG1 3.3Å; A592-I596 WeakPolarHBondContact O-CG1 3.4Å; A592-I596 PolarHBondContact O-N 3.2Å; V593-I596 PolarHBondContact O-N 3.3Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 2.57Å; I596-L599 PolarHBondContact O-N 3.34Å; I596-E600 HydrophobicContact CG2-CG 4.22Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.45Å; I596-E600 WeakPolarHBondContact O-CB 3.48Å; I596-E600 WeakPolarHBondContact O-CG 3.23Å; I596-E600 PolarHBondContact O-N 3.16Å
597L98Very high95.1Very high97 Ų9783.8 Ų83.851%0.50841%0.413SS..Hα-helixtrans-61.6-34.4-179.4-67.6173.4000113V593 K601V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.33Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.32Å; V593-L597 WeakPolarHBondContact O-CG 3.28Å; V593-L597 PolarHBondContact O-N 3.18Å; L597-K601 VanDerWaalsContact O-CB 3.3Å; L597-K601 WeakPolarHBondContact O-CB 3.4Å; L597-K601 PolarHBondContact O-N 3.06Å; L597-K601 VanDerWaalsContact O-N 3.08Å
598S97.3Very high93.5Very high66 Ų6687.7 Ų87.746%0.46243%0.432SS..Hα-helixtrans-68.8-46.2175.7-172.50000112Q594 V595 I596 K601 Q602Q594-S598 VanDerWaalsContact O-CB 3.22Å; Q594-S598 WeakPolarHBondContact O-CB 3.11Å; Q594-S598 PolarHBondContact O-N 3.19Å; V595-S598 PolarHBondContact O-N 3.06Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 2.57Å; S598-K601 PolarHBondContact O-N 3.44Å; S598-Q602 PolarHBondContact O-N 3.25Å
599L96.8Very high91.8Very high64 Ų6491.5 Ų91.534%0.33545%0.452SS..Hα-helixtrans-68.1-44.2178.3-68.9175.2000111.6V595 I596 K601 Q602 V603V595-L599 HydrophobicContact CG1-CD1 3.68Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.37Å; V595-L599 WeakPolarHBondContact O-CG 3.31Å; V595-L599 PolarHBondContact O-N 3.4Å; I596-L599 PolarHBondContact O-N 3.34Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3Å; L599-Q602 PolarHBondContact O-N 3.26Å; L599-V603 WeakPolarHBondContact O-CB 3.49Å; L599-V603 VanDerWaalsContact O-CG2 3.27Å; L599-V603 WeakPolarHBondContact O-CG2 3.49Å; L599-V603 PolarHBondContact O-N 3.26Å
600E96.3Very high89.9Confident88 Ų8891.9 Ų91.941%0.41146%0.46SS..Hα-helixtrans-57-44173.3-79.1-173.8-16700112.1I596 V603 R604I596-E600 HydrophobicContact CG2-CG 4.22Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.45Å; I596-E600 WeakPolarHBondContact O-CB 3.48Å; I596-E600 WeakPolarHBondContact O-CG 3.23Å; I596-E600 PolarHBondContact O-N 3.16Å; E600-V603 PolarHBondContact O-N 2.76Å; E600-R604 VanDerWaalsContact O-CB 3.22Å; E600-R604 WeakPolarHBondContact O-CB 3.4Å; E600-R604 PolarHBondContact O-N 3.08Å; E600-R604 IonicContact OE2-NH2 3.86Å; E600-R604 PolarHBondContact OE2-NH2 3.14Å
601K95.1Very high87.8Confident117 Ų11794.1 Ų94.151%0.50947%0.468SS..Hα-helixtrans-60.1-49175179.1179171.1-179.30110.7L597 S598 L599 V603 R604 E605L597-K601 VanDerWaalsContact O-CB 3.3Å; L597-K601 WeakPolarHBondContact O-CB 3.4Å; L597-K601 PolarHBondContact O-N 3.06Å; L597-K601 VanDerWaalsContact O-N 3.08Å; S598-K601 PolarHBondContact O-N 3.44Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3Å; K601-V603 VanDerWaalsContact C-N 3.32Å; K601-V603 PolarHBondContact O-N 3.33Å; K601-R604 PolarHBondContact O-N 3.15Å; K601-E605 WeakPolarHBondContact CE-OE1 3.19Å; K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 IonicContact NZ-OE1 2.68Å; K601-E605 WeakPolarHBondContact O-CB 3.34Å; K601-E605 WeakPolarHBondContact O-CG 3.24Å; K601-E605 PolarHBondContact O-N 3.12Å
602Q94.1Very high85.9Confident81 Ų8195.8 Ų95.838%0.37949%0.485SS..Hα-helixtrans-62.9-37.5179-173.6177.199.700112.6S598 L599 R606S598-Q602 PolarHBondContact O-N 3.25Å; L599-Q602 PolarHBondContact O-N 3.26Å; Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 3.31Å; Q602-R606 PolarHBondContact O-N 2.6Å
603V94.9Very high84Confident85 Ų8597.8 Ų97.852%0.51550%0.502SS..Hα-helixtrans-66.4-43.5174.4167.40000110.7L599 E600 K601 R606 N607L599-V603 WeakPolarHBondContact O-CB 3.49Å; L599-V603 VanDerWaalsContact O-CG2 3.27Å; L599-V603 WeakPolarHBondContact O-CG2 3.49Å; L599-V603 PolarHBondContact O-N 3.26Å; E600-V603 PolarHBondContact O-N 2.76Å; K601-V603 VanDerWaalsContact C-N 3.32Å; K601-V603 PolarHBondContact O-N 3.33Å; V603-R606 PolarHBondContact O-N 3.1Å; V603-N607 WeakPolarHBondContact CG1-ND2 3.35Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 3Å; V603-N607 PolarHBondContact O-ND2 3.28Å
604R91.6Very high82Confident146 Ų14696.8 Ų96.855%0.55150%0.498SS*.Hα-helixtrans-64.1-39.7176.5-168.3-179.6-63.4106.80.8112E600 K601 L608E600-R604 VanDerWaalsContact O-CB 3.22Å; E600-R604 WeakPolarHBondContact O-CB 3.4Å; E600-R604 PolarHBondContact O-N 3.08Å; E600-R604 IonicContact OE2-NH2 3.86Å; E600-R604 PolarHBondContact OE2-NH2 3.14Å; K601-R604 PolarHBondContact O-N 3.15Å; R604-L608 PolarHBondContact O-N 2.83Å
605E89.3Confident80Confident117 Ų11797.5 Ų97.555%0.54751%0.505SS..Hα-helixtrans-71.7-38177-73.1173.516400112.7K601 L608K601-E605 WeakPolarHBondContact CE-OE1 3.19Å; K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 IonicContact NZ-OE1 2.68Å; K601-E605 WeakPolarHBondContact O-CB 3.34Å; K601-E605 WeakPolarHBondContact O-CG 3.24Å; K601-E605 PolarHBondContact O-N 3.12Å; E605-L608 WeakPolarHBondContact O-CB 3.48Å
606R84.4Confident77.9Confident179 Ų179103.9 Ų103.968%0.67553%0.531SS*.Hα-helixtrans-79.2-27.2177.2-73.4-166.5-176.4123.27.1114.6Q602 V603 L608Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 3.31Å; Q602-R606 PolarHBondContact O-N 2.6Å; V603-R606 PolarHBondContact O-N 3.1Å; R606-L608 VanDerWaalsContact C-N 3.28Å
607N75.4Confident75.9Confident129 Ų129108 Ų10869%0.6954%0.541SS*.SBendtrans-83.9-3.2172.7-72.7-75.7000113V603 N609V603-N607 WeakPolarHBondContact CG1-ND2 3.35Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 3Å; V603-N607 PolarHBondContact O-ND2 3.28Å; N607-N609 PolarHBondContact O-N 3.22Å; N607-N609 VanDerWaalsContact O-N 3.12Å
608L64.4Low73.8Confident124 Ų124112.3 Ų112.365%0.64955%0.55SS**SBendtrans-66.1110.7163.9-131.174.9000108.5R604 E605 R606R604-L608 PolarHBondContact O-N 2.83Å; E605-L608 WeakPolarHBondContact O-CB 3.48Å; R606-L608 VanDerWaalsContact C-N 3.28Å
609N62.2Low71.6Confident93 Ų93116.2 Ų116.250%0.49756%0.561SS.*  trans-47.7121.2-170.6-179.6-14.7000111.9N607 K611 A612 A613N607-N609 PolarHBondContact O-N 3.22Å; N607-N609 VanDerWaalsContact O-N 3.12Å; N609-K611 PolarHBondContact O-N 3.46Å; N609-K611 WeakPolarHBondContact OD1-CB 3.44Å; N609-K611 PolarHBondContact OD1-N 3.48Å; N609-A612 WeakPolarHBondContact O-CA 3.42Å; N609-A612 WeakPolarHBondContact O-CB 3.42Å; N609-A612 PolarHBondContact O-N 2.57Å; N609-A613 PolarHBondContact O-N 2.74Å
610P60.8Low69.5Low94 Ų94120.8 Ų120.861%0.6158%0.581SS**Hα-helixtrans-62.1-20.3-175.623.3-33.7000113.3A613 C614P610-A613 PolarHBondContact O-N 3.18Å; P610-C614 WeakPolarHBondContact O-CB 3.33Å; P610-C614 PolarHBondContact O-N 3.05Å
611K53.8Low67.2Low161 Ų161124.4 Ų124.470%0.760%0.598SS**Hα-helixtrans-65.9-35.7170.7-63.2-176.4177.7-179.80112.3N609 L615N609-K611 PolarHBondContact O-N 3.46Å; N609-K611 WeakPolarHBondContact OD1-CB 3.44Å; N609-K611 PolarHBondContact OD1-N 3.48Å; K611-L615 WeakPolarHBondContact O-CB 3.28Å; K611-L615 PolarHBondContact O-N 3.25Å
612A58.5Low64.9Low57 Ų57127.1 Ų127.147%0.47161%0.61SS.*Hα-helixtrans-71.5-40.2174.200000111.6N609 L615 K616N609-A612 WeakPolarHBondContact O-CA 3.42Å; N609-A612 WeakPolarHBondContact O-CB 3.42Å; N609-A612 PolarHBondContact O-N 2.57Å; A612-L615 PolarHBondContact O-N 3.28Å; A612-K616 PolarHBondContact O-N 3.07Å
613A56.8Low62.1Low53 Ų53129.3 Ų129.344%0.43863%0.628SS.*Hα-helixtrans-64.1-39.5175.300000112.7N609 P610 R617N609-A613 PolarHBondContact O-N 2.74Å; P610-A613 PolarHBondContact O-N 3.18Å; A613-R617 PolarHBondContact O-N 3.09Å
614C57Low59.8Low64 Ų64130.6 Ų130.643%0.43264%0.639SS.*Hα-helixtrans-75.4-28.3173.9-76.10000113.6P610 R617 R618P610-C614 WeakPolarHBondContact O-CB 3.33Å; P610-C614 PolarHBondContact O-N 3.05Å; C614-R617 PolarHBondContact O-N 3.12Å; C614-R618 WeakPolarHBondContact O-CB 3.03Å; C614-R618 PolarHBondContact O-N 3Å; C614-R618 VanDerWaalsContact O-N 3.08Å
615L55.6Low57.4Low125 Ų125127.2 Ų127.265%0.65465%0.649SS**Hα-helixtrans-61.4-47.9168.8-93.2160.9000111K611 A612 R617 R618 E619K611-L615 WeakPolarHBondContact O-CB 3.28Å; K611-L615 PolarHBondContact O-N 3.25Å; A612-L615 PolarHBondContact O-N 3.28Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.33Å; L615-R618 PolarHBondContact O-N 3.43Å; L615-E619 PolarHBondContact O-N 3.44Å
616K54.3Low54.8Low150 Ų150128.9 Ų128.965%0.65266%0.661SS**Hα-helixtrans-60.5-40177.4-170.6171.9-178.21790112.8A612 R618 E619A612-K616 PolarHBondContact O-N 3.07Å; K616-R618 VanDerWaalsContact C-N 3.28Å; K616-R618 PolarHBondContact O-N 3.5Å; K616-E619 PolarHBondContact O-N 2.68Å
617R57.7Low52.2Low177 Ų177127.9 Ų127.967%0.66866%0.664SS**Hα-helixtrans-71.7-16.8174.8-69.8-165-61154.12.9114.6A613 C614 L615A613-R617 PolarHBondContact O-N 3.09Å; C614-R617 PolarHBondContact O-N 3.12Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.33Å
618R52.8Low50.3Low189 Ų189130.7 Ų130.771%0.71367%0.672SS**Hα-helixtrans-91.5-10175.5-163.1172.3-173.6-171.21.9113.1C614 L615 K616C614-R618 WeakPolarHBondContact O-CB 3.03Å; C614-R618 PolarHBondContact O-N 3Å; C614-R618 VanDerWaalsContact O-N 3.08Å; L615-R618 PolarHBondContact O-N 3.43Å; K616-R618 VanDerWaalsContact C-N 3.28Å; K616-R618 PolarHBondContact O-N 3.5Å
619E52.1Low48.9Very low148 Ų148132.6 Ų132.669%0.69268%0.678SS**Hα-helixtrans-77.4-43172.8-167.9171.4-172.300111.2L615 K616 E621 K622L615-E619 PolarHBondContact O-N 3.44Å; K616-E619 PolarHBondContact O-N 2.68Å; E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 3.3Å; E619-K622 PolarHBondContact O-N 3.27Å
620E51.8Low47.7Very low159 Ų159135 Ų13574%0.74369%0.69SS**Hα-helixtrans-66.5-27.2174.9-67-179.1146.100112.8K622E620-K622 PolarHBondContact O-N 3.18Å; E620-K622 VanDerWaalsContact O-N 3.13Å
621E48.9Very low46.4Very low164 Ų164137.8 Ų137.877%0.76670%0.695SS**THydrogen-bonded Turntrans-78.920.1173.5-150.6-162.9148.800113.4E619E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 3.3Å
622K46.9Very low45.5Very low174 Ų174138 Ų13876%0.75770%0.703SS**THydrogen-bonded Turntrans-13226-179.8-143.1-176.1178.8-173.50115.7E619 E620 P624E619-K622 PolarHBondContact O-N 3.27Å; E620-K622 PolarHBondContact O-N 3.18Å; E620-K622 VanDerWaalsContact O-N 3.13Å; K622-P624 WeakPolarHBondContact O-CD 3.39Å
623V35.9Very low44.2Very low127 Ų127139.3 Ų139.377%0.7772%0.721SS**  trans-96.693.7159.8-176.20000108.5G625V623-G625 PolarHBondContact O-N 2.82Å
624P45.3Very low43.1Very low113 Ų113140.7 Ų140.773%0.73474%0.741SS**  trans-65.8130.7172.628.8-34000109.3K622K622-P624 WeakPolarHBondContact O-CD 3.39Å
625G42.4Very low41.8Very low74 Ų74141.4 Ų141.476%0.76376%0.759SS**  trans-71.8146.7-172.900000113.7V623V623-G625 PolarHBondContact O-N 2.82Å
626L34.8Very low41.1Very low152 Ų152144.3 Ų144.380%0.79677%0.769SS**  trans-126.3117162.1-78.8179.9000109.5
627E29Very low40.9Very low158 Ų158143.4 Ų143.474%0.73878%0.778SS**  trans49.3108.9149.925.3-169.7148.200119.6
628H34.7Very low40Very low188 Ų188139.1 Ų139.187%0.8778%0.781SS**  -146.9132.398.1-107.469.4000113.2
629Q35.2Very low39.7Very low165 Ų165138.7 Ų138.777%0.77179%0.792SS**  trans-79.4143.4168.4-150.717031.800107.4
630L38.7Very low39Very low142 Ų142135.4 Ų135.474%0.74380%0.798SS**  -178.514482.4-82.2156.8000109.6
631Q32.1Very low38.4Very low153 Ų153131.5 Ų131.572%0.71580%0.8SS**  154.6135.6120.7-162.761.428.600111.6
632L35Very low37.9Very low166 Ų166132.1 Ų132.187%0.86981%0.809SS**  trans63.9135.2-177.2-53.4113.8000115.6
633G32.3Very low37.4Very low84 Ų84127 Ų12787%0.86681%0.806SS**  cis147.1106.9-15.200000114.4
634G32.6Very low37.7Very low83 Ų83129.5 Ų129.586%0.85681%0.809SS**  trans136.5120.7158.900000117.4
635G31Very low37.6Very low78 Ų78131.1 Ų131.180%0.80481%0.811SS**  trans82.986142.400000119.8
636H40.2Very low38.2Very low186 Ų186132.1 Ų132.186%0.86180%0.804SS**  trans-75156.1143.7-81.7-88.7000110
637P49.3Very low38.6Very low131 Ų131130.7 Ų130.785%0.85180%0.801SS**  -123156.3114.435.5-33.5000112.1
638A40.3Very low39Very low87 Ų87127.8 Ų127.872%0.71980%0.799SS**  trans-127.3117.6177.700000111
639L44.7Very low39.3Very low180 Ų180126.5 Ų126.594%0.94279%0.793SS**  trans-147.4145.4158.1-65.5178000104.8
640G38.1Very low39.6Very low79 Ų79130.4 Ų130.481%0.81481%0.814SS**  cis114.191.117.500000108.5
641G39.3Very low39.6Very low78 Ų78129.9 Ų129.980%0.80482%0.818SS**  trans179.7117.1-178.200000113.4
642D38.1Very low40Very low176 Ų176128.6 Ų128.694%0.94182%0.823SS**  trans-69.4161.1168.3-64.3-86.5000112.4
643G36.1Very low40.3Very low67 Ų67126.6 Ų126.669%0.69182%0.82SS**  trans158.7110.9158.900000117.6
644H41.9Very low40.8Very low180 Ų180129.1 Ų129.183%0.83382%0.818SS**  trans51.899.8147.8-72.2-70.2000121.8
645N43.7Very low41.3Very low146 Ų146131.9 Ų131.978%0.78182%0.815SS**  -78.5156118.1-159.22.1000107.4
646P55.1Low41.9Very low95 Ų95135.5 Ų135.562%0.61782%0.816SS**  -159.1160.184.444.1-23.8000118.5
647V42.5Very low42.1Very low122 Ų122131.9 Ų131.974%0.73981%0.813SS**  trans68.4146.6156.4-140.70000120.7
648S37.6Very low41.5Very low98 Ų98132 Ų13269%0.68581%0.81SS**  trans103.1130.4150.8-50.30000116.1
649H41.2Very low41.6Very low161 Ų161135.8 Ų135.875%0.74582%0.818SS**  cis-149.6141.3-1.1-136.6-76.6000110.7
650M41.3Very low41.3Very low247 Ų247131.7 Ų131.7100%1.21781%0.806SS**  trans240163.6-64.6176.378.100119.1

Retrieved 650 of 650 residues in 259 ms (Link to these results)