A0A087YMU6_POEFO Loading...

Carnitine deficiency-associated gene expressed in ventricle 3

AlphaFold DB , UniProt , Accession A0A087YMU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low56.6Low251 Ų251133.1 Ų133.1100%1.23672%0.72SS**  0104.10-78-177168.800108
2A48.2Very low58.7Low96 Ų96129.3 Ų129.379%0.79370%0.699SS**  trans-141.2100.3160.300000104.5V4A2-V4 PolarHBondContact O-N 3.49Å
3D48.6Very low60.4Low154 Ų154130.2 Ų130.282%0.82469%0.693SS**  trans-64.7128.3-174.2-1612.6000109.3Q5D3-Q5 PolarHBondContact O-N 2.95Å
4V54.6Low61.6Low103 Ų103129.9 Ų129.962%0.62468%0.683SS**  trans-72.391.4-176.3170.70000107.1A2 S6A2-V4 PolarHBondContact O-N 3.49Å; V4-S6 WeakPolarHBondContact CG1-OG 3.43Å; V4-S6 PolarHBondContact O-N 2.95Å
5Q53.5Low62.8Low144 Ų144124.3 Ų124.367%0.67366%0.663SS**  trans-73.331.2175-68.8-166.5-17.400113D3 E7D3-Q5 PolarHBondContact O-N 2.95Å; Q5-E7 PolarHBondContact O-N 3.23Å
6S58Low63.2Low88 Ų88126.1 Ų126.162%0.61566%0.663SS**THydrogen-bonded Turntrans-75.31.6172.763.10000113.2V4V4-S6 WeakPolarHBondContact CG1-OG 3.43Å; V4-S6 PolarHBondContact O-N 2.95Å
7E52.8Low63.7Low152 Ų152130.4 Ų130.471%0.7167%0.668SS**THydrogen-bonded Turntrans-121.126.1-167.5-52.2-151.2-168.600113.7Q5 S9Q5-E7 PolarHBondContact O-N 3.23Å; E7-S9 PolarHBondContact O-N 2.95Å
8K58.7Low63.8Low170 Ų170127.8 Ų127.874%0.73966%0.656SS**SBendtrans-69.969.1143.4-66161.5-171.5161.90106
9S64.4Low63.8Low52 Ų52129.8 Ų129.836%0.36466%0.66SS.*  trans-62137.2-151.8-179.80000110.5E7 D11 D12E7-S9 PolarHBondContact O-N 2.95Å; S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 PolarHBondContact OG-N 2.92Å; S9-D12 WeakPolarHBondContact O-CB 3.32Å; S9-D12 PolarHBondContact O-N 2.92Å
10L68.8Low63.8Low131 Ų131133.3 Ų133.369%0.68667%0.67SS**Hα-helixtrans-48.5-26.7172.5-84.9159.7000112.7D12 F13 F14L10-D12 PolarHBondContact O-N 2.78Å; L10-F13 VanDerWaalsContact O-CB 3.25Å; L10-F13 WeakPolarHBondContact O-CB 3.25Å; L10-F13 PolarHBondContact O-N 2.65Å; L10-F14 VanDerWaalsContact O-CD2 3.3Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 2.94Å
11D68.3Low63.7Low123 Ų123135.9 Ų135.966%0.65868%0.677SS**Hα-helixtrans-60-30.9172.9-101.7-1.5000113S9 F13 F14 A15S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 PolarHBondContact OG-N 2.92Å; D11-F13 VanDerWaalsContact C-N 3.3Å; D11-F13 PolarHBondContact O-N 2.86Å; D11-F14 PolarHBondContact O-N 3.25Å; D11-A15 WeakPolarHBondContact O-CB 3.11Å; D11-A15 PolarHBondContact O-N 3.12Å
12D82.4Confident64.4Low88 Ų88130.6 Ų130.647%0.47165%0.647SS.*Hα-helixtrans-74.6-23.3176.5-145.144.5000111.7S9 L10 K16S9-D12 WeakPolarHBondContact O-CB 3.32Å; S9-D12 PolarHBondContact O-N 2.92Å; L10-D12 PolarHBondContact O-N 2.78Å; D12-K16 VanDerWaalsContact O-CB 3.27Å; D12-K16 WeakPolarHBondContact O-CB 3.13Å; D12-K16 WeakPolarHBondContact O-CG 3.19Å; D12-K16 PolarHBondContact O-N 2.81Å; D12-K16 IonicContact OD2-NZ 2.71Å; D12-K16 PolarHBondContact OD2-NZ 3.27Å
13F80.8Confident64.8Low141 Ų141135.7 Ų135.762%0.61865%0.651SS**Hα-helixtrans-73.6-43.1173.1-164.4-95.8000111.3L10 D11 R17L10-F13 VanDerWaalsContact O-CB 3.25Å; L10-F13 WeakPolarHBondContact O-CB 3.25Å; L10-F13 PolarHBondContact O-N 2.65Å; D11-F13 VanDerWaalsContact C-N 3.3Å; D11-F13 PolarHBondContact O-N 2.86Å; F13-R17 PolarHBondContact O-N 3.39Å
14F76.5Confident64.9Low126 Ų126136.8 Ų136.855%0.55365%0.651SS**Hα-helixtrans-74.6-37.2174.7-71.8-76.8000112.2L10 D11 K16 R17 D18L10-F14 VanDerWaalsContact O-CD2 3.3Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 2.94Å; D11-F14 PolarHBondContact O-N 3.25Å; F14-K16 PolarHBondContact O-N 2.99Å; F14-R17 CarbonylContact O-C 3.54Å; F14-R17 PolarHBondContact O-N 2.96Å; F14-R17 VanDerWaalsContact O-N 3.11Å; F14-D18 WeakPolarHBondContact O-CB 3.39Å; F14-D18 PolarHBondContact O-N 2.9Å
15A79.6Confident64.4Low46 Ų46140.8 Ų140.838%0.3866%0.66SS.*Hα-helixtrans-64.5-40.7175.300000111.7D11 R17 D18 K19D11-A15 WeakPolarHBondContact O-CB 3.11Å; D11-A15 PolarHBondContact O-N 3.12Å; A15-R17 PolarHBondContact O-N 2.93Å; A15-D18 PolarHBondContact O-N 3.06Å; A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 3.47Å
16K69.6Low64Low153 Ų153137.6 Ų137.667%0.66567%0.666SS**Hα-helixtrans-61.7-29.9173.2-80.3179.2175.195.30112.6D12 F14D12-K16 VanDerWaalsContact O-CB 3.27Å; D12-K16 WeakPolarHBondContact O-CB 3.13Å; D12-K16 WeakPolarHBondContact O-CG 3.19Å; D12-K16 PolarHBondContact O-N 2.81Å; D12-K16 IonicContact OD2-NZ 2.71Å; D12-K16 PolarHBondContact OD2-NZ 3.27Å; F14-K16 PolarHBondContact O-N 2.99Å
17R71.9Confident63.4Low199 Ų199144 Ų14475%0.75168%0.683SS**Hα-helixtrans-82.9-36.7177.2-161.5172.3-174.4144.8-0.1113.2F13 F14 A15F13-R17 PolarHBondContact O-N 3.39Å; F14-R17 CarbonylContact O-C 3.54Å; F14-R17 PolarHBondContact O-N 2.96Å; F14-R17 VanDerWaalsContact O-N 3.11Å; A15-R17 PolarHBondContact O-N 2.93Å
18D65.1Low62.7Low84 Ų84140.1 Ų140.145%0.44968%0.684SS.*Hα-helixtrans-87.7-21-175.9-167.737.8000113.7F14 A15 K20 K21 K22F14-D18 WeakPolarHBondContact O-CB 3.39Å; F14-D18 PolarHBondContact O-N 2.9Å; A15-D18 PolarHBondContact O-N 3.06Å; D18-K20 PolarHBondContact O-N 3.22Å; D18-K20 VanDerWaalsContact O-N 3.12Å; D18-K21 PolarHBondContact O-N 3.18Å; D18-K22 PolarHBondContact O-N 2.9Å; D18-K22 VanDerWaalsContact O-N 3.1Å
19K63.8Low61.8Low166 Ų166142 Ų14272%0.72269%0.692SS**THydrogen-bonded Turntrans-66-16.6178.2-157.3170.4-173.6172.90113.7A15 K21A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 3.47Å; K19-K21 VanDerWaalsContact C-N 3.29Å
20K64.1Low60.4Low199 Ų199147.7 Ų147.787%0.86571%0.713SS**THydrogen-bonded Turntrans-74.6-18.1171.5-166.7174.1177.8178.70112.7D18D18-K20 PolarHBondContact O-N 3.22Å; D18-K20 VanDerWaalsContact O-N 3.12Å
21K63Low58.8Low187 Ų187147.1 Ų147.181%0.81372%0.715SS**THydrogen-bonded Turntrans-111-17.3-179.2-83.8-83.5-175.2172.40114.1D18 K19D18-K21 PolarHBondContact O-N 3.18Å; K19-K21 VanDerWaalsContact C-N 3.29Å
22K60.4Low57Low140 Ų140147.4 Ų147.461%0.60972%0.721SS**  trans-122.148.1-171.4-158.4177.1178.9176.20114.7D18D18-K22 PolarHBondContact O-N 2.9Å; D18-K22 VanDerWaalsContact O-N 3.1Å
23K56.1Low54.6Low204 Ų204149.9 Ų149.989%0.88774%0.74SS**SBendtrans-96.613163.4-148.8-156177.9-175.10113.4
24E50.9Low52.2Low176 Ų176146.7 Ų146.782%0.82275%0.747SS**SBendtrans-127.51.8-170.2-144.1-156138.500117.5
25K44.2Very low50.8Low187 Ų187146.7 Ų146.781%0.81376%0.759SS**  trans-159.8120.1174.1-121.2169.5-174.5177.30115.9
26G45.2Very low48.5Very low77 Ų77150.7 Ų150.779%0.79478%0.779SS**  9392.1124.400000117
27K44.2Very low46.8Very low222 Ų222149.5 Ų149.597%0.96579%0.785SS**  trans-77.8124.6157-174.7176.8-176.3176.50108.4
28G39.1Very low45.2Very low71 Ų71144.8 Ų144.873%0.73279%0.789SS**  trans172.493.3171.100000111.5
29K40Very low43.7Very low209 Ų209145.2 Ų145.291%0.90980%0.803SS**  84.493.285.5-159.7179.5-170.5-174.10112.1
30E34.9Very low42.7Very low172 Ų172143.6 Ų143.680%0.80481%0.807SS**  trans-71.9145.6154.9-74.1-168.8132.800110.1
31T35.2Very low41.7Very low119 Ų119143.7 Ų143.773%0.7381%0.808SS**  163.1109.4103.551.30000111.1
32T30.8Very low40.9Very low129 Ų129144.5 Ų144.579%0.79181%0.811SS**  trans-0.9131.2138.4155.20000119.7
33T31.3Very low39.7Very low141 Ų141144.3 Ų144.387%0.86582%0.822SS**  trans-151.8111.7140.453.30000112.9
34G31.5Very low38.8Very low74 Ų74143.4 Ų143.476%0.76382%0.818SS**  trans79.3154134.200000122.4
35P46.8Very low38.7Very low125 Ų125144.3 Ų144.381%0.81282%0.819SS**  trans-118.4153.7-151.538.4-23.4000115.8
36T31.4Very low38.3Very low131 Ų131143 Ų14380%0.80482%0.816SS**  trans-152.9123.4163550000114.4
37T34.1Very low38.6Very low128 Ų128148.1 Ų148.179%0.78582%0.816SS**  trans49.7121.5137.464.10000123.6
38A36.7Very low38.4Very low100 Ų100145.3 Ų145.383%0.82681%0.807SS**  60.7142.7127.200000123.4
39A35Very low38.9Very low92 Ų92151 Ų15176%0.7681%0.811SS**  trans97.8101.8154.200000119.9
40V42.3Very low38.8Very low132 Ų132146.5 Ų146.580%0.881%0.806SS**  25.1121.3128.9-167.70000117.9
41K42.9Very low39.6Very low202 Ų202142.9 Ų142.988%0.87881%0.805SS**  -178.6143.9120.9-96.9163.5-170.8-179.10113.2
42K45.8Very low40.2Very low203 Ų203146.4 Ų146.488%0.88381%0.811SS**  trans-64.1143.9173.6-57.7178.7174.5-179.90111.6
43T36Very low41Very low136 Ų136144.6 Ų144.683%0.83480%0.796SS**  trans-170116140.227.40000107.8
44K37.5Very low41.9Very low185 Ų185146.1 Ų146.180%0.80479%0.794SS**  87.5107.997.7-168178.4177.6-171.20111.7E46K44-E46 PolarHBondContact O-N 2.85Å
45K47Very low42.9Very low195 Ų195149.2 Ų149.285%0.84879%0.793SS**  trans-35.6116.3155.4-179.3-178.9-175.3177.80110.7
46E37.7Very low43.2Very low159 Ų159149.2 Ų149.274%0.74378%0.782SS**  trans-131.4106.3154.8-166.9154.9-149.700108K44 E48K44-E46 PolarHBondContact O-N 2.85Å; E46-E48 HydrophobicContact CG-CB 4.49Å; E46-E48 PolarHBondContact O-N 3.07Å
47K50.7Low43.9Very low185 Ų185148 Ų14880%0.80477%0.77SS**  trans-70.2109.1159.3165.9173.7177.5168.20104.9
48E38.9Very low44.9Very low164 Ų164144 Ų14477%0.76675%0.75SS**  trans-135122.3161-146.5178.1-17400110.3E46 S50E46-E48 HydrophobicContact CG-CB 4.49Å; E46-E48 PolarHBondContact O-N 3.07Å; E48-S50 PolarHBondContact O-N 3.17Å
49K50.7Low45.7Very low190 Ų190144.7 Ų144.783%0.82674%0.736SS**  trans-61.9115.4177.1-73.6174166-1740108.6A51K49-A51 PolarHBondContact O-N 3.36Å
50S37.3Very low46.7Very low114 Ų114144 Ų14480%0.79772%0.722SS**  trans-82.194.5155.255.50000108.1E48 K52E48-S50 PolarHBondContact O-N 3.17Å; S50-K52 VanDerWaalsContact C-N 3.29Å; S50-K52 PolarHBondContact O-N 3.22Å
51A52.5Low47.4Very low96 Ų96142.8 Ų142.879%0.79371%0.708SS**  trans-58.489.6164.800000109.5K49K49-A51 PolarHBondContact O-N 3.36Å
52K48.1Very low48.2Very low193 Ų193140.5 Ų140.584%0.83970%0.698SS**  trans-161.451.3167.4-158163.2-178171.40111.9S50S50-K52 VanDerWaalsContact C-N 3.29Å; S50-K52 PolarHBondContact O-N 3.22Å
53N46.8Very low48.6Very low92 Ų92135.4 Ų135.449%0.49268%0.677SS.*  trans-15840.6153.5-148.60.9000113.4N55 Q56N53-N55 PolarHBondContact O-N 3.26Å; N53-Q56 PolarHBondContact ND2-OE1 3.49Å; N53-Q56 VanDerWaalsContact ND2-OE1 3.08Å; N53-Q56 WeakPolarHBondContact OD1-CB 2.86Å; N53-Q56 WeakPolarHBondContact OD1-CG 3.42Å; N53-Q56 PolarHBondContact OD1-OE1 3.42Å
54E50.7Low49.6Very low173 Ų173133 Ų13381%0.80866%0.66SS**Hα-helixtrans-73.5-10.8-178.1-167.9165.1177.700113.2A58E54-A58 WeakPolarHBondContact O-CB 3.43Å
55N51.3Low50.7Low138 Ų138128 Ų12874%0.73864%0.639SS**Hα-helixtrans-92.5-28.8-177-151-91.3000113.6N53N53-N55 PolarHBondContact O-N 3.26Å
56Q52.9Low51.4Low126 Ų126125.9 Ų125.959%0.58963%0.632SS**Hα-helixtrans-85.5-32.1175.3-65.9-175.5-20.200111.9N53 Q59 V60N53-Q56 PolarHBondContact ND2-OE1 3.49Å; N53-Q56 VanDerWaalsContact ND2-OE1 3.08Å; N53-Q56 WeakPolarHBondContact OD1-CB 2.86Å; N53-Q56 WeakPolarHBondContact OD1-CG 3.42Å; N53-Q56 PolarHBondContact OD1-OE1 3.42Å; Q56-Q59 PolarHBondContact O-N 2.78Å; Q56-V60 WeakPolarHBondContact O-CG2 3.46Å; Q56-V60 PolarHBondContact O-N 2.98Å; Q56-V60 VanDerWaalsContact O-N 3.12Å
57D47Very low52.4Low105 Ų105128.7 Ų128.756%0.56164%0.636SS**Hα-helixtrans-67.6-40.9178.9-146.150.9000111.1Q59 V60 E61D57-Q59 VanDerWaalsContact C-N 3.3Å; D57-Q59 PolarHBondContact O-N 3.17Å; D57-V60 PolarHBondContact O-N 3.49Å; D57-E61 VanDerWaalsContact O-CB 3.31Å; D57-E61 WeakPolarHBondContact O-CB 3.48Å; D57-E61 PolarHBondContact O-N 3.11Å
58A54.4Low52.9Low43 Ų43127.1 Ų127.136%0.35563%0.629SS.*Hα-helixtrans-72.5-18.2178.300000114.4E54 K62E54-A58 WeakPolarHBondContact O-CB 3.43Å; A58-K62 WeakPolarHBondContact O-CD 3.33Å; A58-K62 WeakPolarHBondContact O-CG 3.25Å; A58-K62 PolarHBondContact O-N 3.27Å
59Q54Low53.7Low115 Ų115126.8 Ų126.854%0.53763%0.627SS.*Hα-helixtrans-86-39.7174.7-166.8-177.9-23.500110.6Q56 D57 K62 E63Q56-Q59 PolarHBondContact O-N 2.78Å; D57-Q59 VanDerWaalsContact C-N 3.3Å; D57-Q59 PolarHBondContact O-N 3.17Å; Q59-K62 PolarHBondContact O-N 3.02Å; Q59-E63 PolarHBondContact NE2-OE1 3.2Å; Q59-E63 WeakPolarHBondContact O-CG 3.25Å; Q59-E63 PolarHBondContact O-N 3.12Å; Q59-E63 VanDerWaalsContact O-N 3.08Å
60V56.8Low53.6Low77 Ų77125.9 Ų125.947%0.46762%0.624SS.*Hα-helixtrans-71.7-37.6174.4177.30000111.3Q56 D57 E63 D64Q56-V60 WeakPolarHBondContact O-CG2 3.46Å; Q56-V60 PolarHBondContact O-N 2.98Å; Q56-V60 VanDerWaalsContact O-N 3.12Å; D57-V60 PolarHBondContact O-N 3.49Å; V60-E63 PolarHBondContact O-N 3.35Å; V60-D64 VanDerWaalsContact O-CB 3.26Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 PolarHBondContact O-N 2.69Å
61E57.3Low54.6Low107 Ų107126.5 Ų126.550%0.561%0.614SS.*Hα-helixtrans-62.4-42.7170.9-95-174.2158.600111.2D57 E63 D64 E65D57-E61 VanDerWaalsContact O-CB 3.31Å; D57-E61 WeakPolarHBondContact O-CB 3.48Å; D57-E61 PolarHBondContact O-N 3.11Å; E61-E63 PolarHBondContact O-N 3.24Å; E61-D64 CarbonylContact O-C 3.59Å; E61-D64 PolarHBondContact O-N 3.03Å; E61-E65 WeakPolarHBondContact CB-OE2 3.33Å; E61-E65 WeakPolarHBondContact O-CA 3.32Å; E61-E65 WeakPolarHBondContact O-CB 3.46Å; E61-E65 PolarHBondContact O-N 2.84Å
62K59Low54.7Low154 Ų154129.6 Ų129.667%0.6761%0.612SS**Hα-helixtrans-63.2-42176.6-79.2174.2-174.3-179.90113.3A58 Q59 E66A58-K62 WeakPolarHBondContact O-CD 3.33Å; A58-K62 WeakPolarHBondContact O-CG 3.25Å; A58-K62 PolarHBondContact O-N 3.27Å; Q59-K62 PolarHBondContact O-N 3.02Å; K62-E66 WeakPolarHBondContact O-CB 3.42Å; K62-E66 PolarHBondContact O-N 3.28Å
63E54.4Low55.4Low97 Ų97127.2 Ų127.245%0.45360%0.602SS.*Hα-helixtrans-66.6-46.9176.3-70.9170.6-16100109.6Q59 V60 E61 E65 E66 W67Q59-E63 PolarHBondContact NE2-OE1 3.2Å; Q59-E63 WeakPolarHBondContact O-CG 3.25Å; Q59-E63 PolarHBondContact O-N 3.12Å; Q59-E63 VanDerWaalsContact O-N 3.08Å; V60-E63 PolarHBondContact O-N 3.35Å; E61-E63 PolarHBondContact O-N 3.24Å; E63-E65 PolarHBondContact O-N 3.32Å; E63-E66 PolarHBondContact O-N 2.88Å; E63-W67 PolarHBondContact O-N 3.46Å; E63-W67 VanDerWaalsContact O-N 3.12Å
64D57.1Low56.4Low86 Ų86130.6 Ų130.646%0.4662%0.615SS.*Hα-helixtrans-67.7-30.6176.9-78.9-23000113.8V60 E61 W67 K68V60-D64 VanDerWaalsContact O-CB 3.26Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 PolarHBondContact O-N 2.69Å; E61-D64 CarbonylContact O-C 3.59Å; E61-D64 PolarHBondContact O-N 3.03Å; D64-W67 CarbonylContact O-C 3.45Å; D64-W67 PolarHBondContact O-N 3.48Å; D64-K68 WeakPolarHBondContact O-CB 3.18Å; D64-K68 WeakPolarHBondContact O-CG 3.27Å; D64-K68 PolarHBondContact O-N 2.79Å
65E59.7Low57.6Low79 Ų79126 Ų12637%0.36960%0.598SS.*Hα-helixtrans-71.4-38.9173.3-106.672.2-117.300110.7E61 E63 W67 K68 E69E61-E65 WeakPolarHBondContact CB-OE2 3.33Å; E61-E65 WeakPolarHBondContact O-CA 3.32Å; E61-E65 WeakPolarHBondContact O-CB 3.46Å; E61-E65 PolarHBondContact O-N 2.84Å; E63-E65 PolarHBondContact O-N 3.32Å; E65-W67 PolarHBondContact O-N 3.3Å; E65-K68 CarbonylContact O-C 3.54Å; E65-K68 PolarHBondContact O-N 2.99Å; E65-K68 IonicContact OE1-NZ 3.54Å; E65-K68 PolarHBondContact OE1-NZ 2.78Å; E65-E69 WeakPolarHBondContact O-CA 3.09Å; E65-E69 WeakPolarHBondContact O-CB 3.39Å; E65-E69 PolarHBondContact O-N 3.48Å
66E62.3Low58.8Low150 Ų150125.9 Ų125.970%0.70160%0.598SS**Hα-helixtrans-63-34172.7-169.7169.5-16500111.2K62 E63K62-E66 WeakPolarHBondContact O-CB 3.42Å; K62-E66 PolarHBondContact O-N 3.28Å; E63-E66 PolarHBondContact O-N 2.88Å
67W58.9Low59.6Low218 Ų218127.4 Ų127.483%0.82660%0.599SS**Hα-helixtrans-77.8-21.9171.5-70.4108.2000114E63 D64 E65E63-W67 PolarHBondContact O-N 3.46Å; E63-W67 VanDerWaalsContact O-N 3.12Å; D64-W67 CarbonylContact O-C 3.45Å; D64-W67 PolarHBondContact O-N 3.48Å; E65-W67 PolarHBondContact O-N 3.3Å
68K61.1Low60.7Low152 Ų152127.6 Ų127.666%0.66161%0.609SS**Hα-helixtrans-90.4-20.4172.9-80.5178.5-168.1150.20114D64 E65 F70D64-K68 WeakPolarHBondContact O-CB 3.18Å; D64-K68 WeakPolarHBondContact O-CG 3.27Å; D64-K68 PolarHBondContact O-N 2.79Å; E65-K68 CarbonylContact O-C 3.54Å; E65-K68 PolarHBondContact O-N 2.99Å; E65-K68 IonicContact OE1-NZ 3.54Å; E65-K68 PolarHBondContact OE1-NZ 2.78Å; K68-F70 PolarHBondContact O-N 3.17Å
69E54.3Low61.3Low157 Ų157128.8 Ų128.873%0.73463%0.626SS**  trans-8817.7-178-164.4163.5-141.800111.6E65 E71E65-E69 WeakPolarHBondContact O-CA 3.09Å; E65-E69 WeakPolarHBondContact O-CB 3.39Å; E65-E69 PolarHBondContact O-N 3.48Å; E69-E71 PolarHBondContact O-N 2.78Å
70F49.8Very low61.9Low171 Ų171129.1 Ų129.175%0.7563%0.63SS**  trans-66.171.2150.1-165.2-97.5000108.6K68 Q72K68-F70 PolarHBondContact O-N 3.17Å; F70-Q72 PolarHBondContact O-N 3.45Å
71E57.1Low62.4Low128 Ų128136.4 Ų136.460%0.59865%0.649SS**  trans-52.3111.7158.3-165.7-179.4-138.100104.4E69 K73E69-E71 PolarHBondContact O-N 2.78Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-K73 IonicContact OE2-NZ 3.43Å; E71-K73 PolarHBondContact OE2-NZ 3.44Å
72Q56.4Low62.6Low161 Ų161136.5 Ų136.575%0.75265%0.653SS**  trans-62.162.8168.7-170.4175.64.700108.2F70 E74F70-Q72 PolarHBondContact O-N 3.45Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.16Å; Q72-E74 VanDerWaalsContact O-N 3.08Å
73K61.9Low62.6Low143 Ų143137.3 Ų137.362%0.62266%0.659SS**  trans-66.3104.9160.1-97.6-165.2177.580.80104E71 V75E71-K73 PolarHBondContact O-N 3.31Å; E71-K73 IonicContact OE2-NZ 3.43Å; E71-K73 PolarHBondContact OE2-NZ 3.44Å; K73-V75 HydrophobicContact CB-CG2 4.23Å; K73-V75 PolarHBondContact O-N 3.34Å
74E67Low62.5Low162 Ų162135.6 Ų135.676%0.75766%0.661SS**  trans-58.690.6157-72.1174.5164.800106.2Q72 D76Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.16Å; Q72-E74 VanDerWaalsContact O-N 3.08Å; E74-D76 PolarHBondContact O-N 3.41Å
75V76.5Confident62.3Low77 Ų77136 Ų13647%0.46766%0.663SS.*  trans-72.2109.2170.1179.60000104.8K73 Y77K73-V75 HydrophobicContact CB-CG2 4.23Å; K73-V75 PolarHBondContact O-N 3.34Å; V75-Y77 HydrophobicContact CB-CD2 4.42Å; V75-Y77 HydrophobicContact CB-CE1 4.25Å; V75-Y77 HydrophobicContact CB-CE2 3.72Å; V75-Y77 HydrophobicContact CG1-CD1 4.2Å; V75-Y77 HydrophobicContact CG1-CE1 3.62Å; V75-Y77 HydrophobicContact CG1-CE2 4.01Å; V75-Y77 WeakPolarHBondContact O-CD2 3.2Å; V75-Y77 VanDerWaalsContact O-CE2 3.27Å; V75-Y77 WeakPolarHBondContact O-CE2 3.38Å; V75-Y77 PolarHBondContact O-N 3.36Å
76D76.1Confident62Low136 Ų136140.9 Ų140.973%0.72769%0.686SS**  trans-67.991.7-178.8-82-33.5000110.7E74 S78E74-D76 PolarHBondContact O-N 3.41Å; D76-S78 PolarHBondContact O-N 3.5Å
77Y70.1Confident61.5Low158 Ų158140.1 Ų140.162%0.6269%0.685SS**G310 helixtrans-77.25.8174.4-59.8-72.2000113.3V75 G79 L80V75-Y77 HydrophobicContact CB-CD2 4.42Å; V75-Y77 HydrophobicContact CB-CE1 4.25Å; V75-Y77 HydrophobicContact CB-CE2 3.72Å; V75-Y77 HydrophobicContact CG1-CD1 4.2Å; V75-Y77 HydrophobicContact CG1-CE1 3.62Å; V75-Y77 HydrophobicContact CG1-CE2 4.01Å; V75-Y77 WeakPolarHBondContact O-CD2 3.2Å; V75-Y77 VanDerWaalsContact O-CE2 3.27Å; V75-Y77 WeakPolarHBondContact O-CE2 3.38Å; V75-Y77 PolarHBondContact O-N 3.36Å; Y77-G79 PolarHBondContact O-N 3.31Å; Y77-L80 WeakPolarHBondContact O-CB 3.49Å; Y77-L80 PolarHBondContact O-N 3.11Å
78S69.5Low60.9Low108 Ų108131.2 Ų131.276%0.75566%0.656SS**G310 helixtrans-64.9-22.1-179.8670000113.6D76D76-S78 PolarHBondContact O-N 3.5Å
79G66.9Low60.3Low69 Ų69129.2 Ų129.271%0.71165%0.652SS**G310 helixtrans-89.9-8.7173.800000114.6Y77 R81Y77-G79 PolarHBondContact O-N 3.31Å; G79-R81 PolarHBondContact O-N 3.03Å
80L66.8Low60.1Low121 Ų121130.1 Ų130.163%0.63466%0.657SS**  trans-81.454.6179.5-141.488.9000110.2Y77 L82Y77-L80 WeakPolarHBondContact O-CB 3.49Å; Y77-L80 PolarHBondContact O-N 3.11Å; L80-L82 PolarHBondContact O-N 3.38Å; L80-L82 VanDerWaalsContact O-N 3.12Å
81R68.4Low59.9Low231 Ų231129 Ų12987%0.87265%0.652SS**  trans-66.5114.6165.3-87.6179.8172.5137.6-1.2106.9G79 Q83G79-R81 PolarHBondContact O-N 3.03Å; R81-Q83 PolarHBondContact O-N 2.93Å
82L61.7Low59.2Low109 Ų109128.6 Ų128.657%0.57165%0.65SS**  trans-64.179.6-177.5-59.4150.1000110.2L80 L85L80-L82 PolarHBondContact O-N 3.38Å; L80-L82 VanDerWaalsContact O-N 3.12Å; L82-L85 HydrophobicContact CB-CB 3.85Å; L82-L85 HydrophobicContact CB-CD1 4.19Å; L82-L85 HydrophobicContact CB-CG 4.44Å; L82-L85 HydrophobicContact CD1-CD1 4.05Å; L82-L85 HydrophobicContact CD1-CD2 4.23Å; L82-L85 HydrophobicContact CD2-CD1 4Å; L82-L85 HydrophobicContact CG-CD1 4.3Å
83Q58.2Low58.7Low171 Ų171128 Ų12880%0.79965%0.647SS**SBendtrans-71.5-21.4162.9-169.8172.128.800110.4R81R81-Q83 PolarHBondContact O-N 2.93Å
84A51.8Low58.1Low61 Ų61128.7 Ų128.750%0.50465%0.652SS.*G310 helixtrans-69.1-31.7174.100000112.9Q86 I87 S88A84-Q86 PolarHBondContact O-N 2.81Å; A84-I87 PolarHBondContact O-N 3.12Å; A84-S88 WeakPolarHBondContact O-CB 3.25Å; A84-S88 PolarHBondContact O-N 2.94Å; A84-S88 PolarHBondContact O-OG 3.34Å
85L54Low57.1Low93 Ų93127.9 Ų127.949%0.48765%0.649SS.*G310 helixtrans-58.6-21.5-178.6-128.871.3000114L82L82-L85 HydrophobicContact CB-CB 3.85Å; L82-L85 HydrophobicContact CB-CD1 4.19Å; L82-L85 HydrophobicContact CB-CG 4.44Å; L82-L85 HydrophobicContact CD1-CD1 4.05Å; L82-L85 HydrophobicContact CD1-CD2 4.23Å; L82-L85 HydrophobicContact CD2-CD1 4Å; L82-L85 HydrophobicContact CG-CD1 4.3Å
86Q53.6Low55.3Low182 Ų182134.1 Ų134.185%0.8567%0.665SS**G310 helixtrans-96.4-5.7-178.6-158.2163.3-9.600113.6A84A84-Q86 PolarHBondContact O-N 2.81Å
87I51Low54Low135 Ų135135.4 Ų135.469%0.69267%0.667SS**THydrogen-bonded Turntrans-126.7-19.5179.2-46.3177000111.6A84A84-I87 PolarHBondContact O-N 3.12Å
88S46.9Very low52.9Low31 Ų31136.8 Ų136.822%0.21768%0.676CS.*SBendtrans-93.4-18.9175.4650000114.5A84 E90 K91 E92A84-S88 WeakPolarHBondContact O-CB 3.25Å; A84-S88 PolarHBondContact O-N 2.94Å; A84-S88 PolarHBondContact O-OG 3.34Å; S88-E90 PolarHBondContact O-N 3.1Å; S88-K91 PolarHBondContact O-N 2.89Å; S88-E92 WeakPolarHBondContact O-CB 3.48Å; S88-E92 PolarHBondContact O-N 2.98Å
89D47.5Very low51.7Low109 Ų109138.8 Ų138.858%0.58367%0.674SS**Hα-helixtrans-57.5-34.2173.4-106.14.3000111.7E93D89-E93 WeakPolarHBondContact O-CB 3.43Å
90E50.9Low50.9Low176 Ų176142.3 Ų142.382%0.82267%0.671SS**Hα-helixtrans-81.5-13.7176.4-165.1171.7-164.800113.5S88S88-E90 PolarHBondContact O-N 3.1Å
91K46.2Very low50.1Low148 Ų148140.7 Ų140.764%0.64367%0.666SS**Hα-helixtrans-112.5-27.6-175.3-158.6-176.8-179.1690114S88S88-K91 PolarHBondContact O-N 2.89Å
92E42.5Very low49.7Very low119 Ų119130.3 Ų130.356%0.55663%0.631SS**Hα-helixtrans-81.6-30.8178.4-171.1170.1-169.500111.2S88 E94 E95 Y96S88-E92 WeakPolarHBondContact O-CB 3.48Å; S88-E92 PolarHBondContact O-N 2.98Å; E92-E94 VanDerWaalsContact C-N 3.32Å; E92-E94 PolarHBondContact O-N 3.45Å; E92-E95 PolarHBondContact O-N 2.84Å; E92-Y96 PolarHBondContact O-N 3.11Å
93E46.1Very low49.3Very low148 Ų148135.4 Ų135.469%0.69265%0.652SS**Hα-helixtrans-63.2-36.7173.2-167.7167.7-149.300111.8D89 E97D89-E93 WeakPolarHBondContact O-CB 3.43Å; E93-E97 PolarHBondContact O-N 3.12Å
94E48.1Very low49Very low158 Ų158133 Ų13374%0.73865%0.645SS**Hα-helixtrans-77-22.4178-163.6171.2-147.200113.4E92E92-E94 VanDerWaalsContact C-N 3.32Å; E92-E94 PolarHBondContact O-N 3.45Å
95E47.4Very low49.4Very low146 Ų146132.8 Ų132.868%0.68265%0.649SS**Hα-helixtrans-88.6-32.9179.9-166155.5-145.300112.1E92E92-E95 PolarHBondContact O-N 2.84Å
96Y37.2Very low49.1Very low207 Ų207134.9 Ų134.981%0.81266%0.656SS**Hα-helixtrans-75.6-26.5175.6-156.6-100.1000113.3E92 K98E92-Y96 PolarHBondContact O-N 3.11Å; Y96-K98 PolarHBondContact O-N 3.43Å
97E49.4Very low49.1Very low164 Ų164132.4 Ų132.477%0.76665%0.647SS**THydrogen-bonded Turntrans-75.7-9.1178.3-161.2152.9-152.500113.3E93E93-E97 PolarHBondContact O-N 3.12Å
98K46.3Very low49.2Very low186 Ų186130.9 Ų130.981%0.80964%0.639SS**THydrogen-bonded Turntrans-99.2-16.9-178.2-156.2179.5-176.8-161.60114.8Y96Y96-K98 PolarHBondContact O-N 3.43Å
99E45.4Very low49.7Very low151 Ų151136.4 Ų136.471%0.70667%0.666SS**  trans-110.560.6176.1-74.9-174.7168.500110.6V101E99-V101 VanDerWaalsContact C-N 3.26Å; E99-V101 PolarHBondContact O-N 2.86Å
100E49.8Very low50.1Low142 Ų142136.8 Ų136.866%0.66467%0.672SS**  trans-71.587166.4-159.6177.7-164.200108.6G102E100-G102 PolarHBondContact O-N 3.47Å
101V49.3Very low50.2Low87 Ų87133.4 Ų133.453%0.52767%0.667SS.*BIsolated β-bridgetrans-65.1120.4168.6167.20000108.1E99E99-V101 VanDerWaalsContact C-N 3.26Å; E99-V101 PolarHBondContact O-N 2.86Å
102G59.6Low50.7Low13 Ų13129.6 Ų129.613%0.13467%0.67CS.*  trans-63.1156.3174.600000111.7E100 D104 G105 E106E100-G102 PolarHBondContact O-N 3.47Å; G102-D104 PolarHBondContact O-N 2.96Å; G102-G105 PolarHBondContact O-N 3.25Å; G102-E106 PolarHBondContact N-O 2.98Å
103E55.2Low51.2Low217 Ų217130.9 Ų130.9100%1.01468%0.681SS**THydrogen-bonded Turntrans-61.31.3-176.4-159176.416500114.7
104D50.9Low51.8Low119 Ų119132.9 Ų132.964%0.63669%0.687SS**THydrogen-bonded Turntrans-113.41.3173.659.7-3.8000114.6G102 E106G102-D104 PolarHBondContact O-N 2.96Å; D104-E106 PolarHBondContact OD1-N 2.84Å
105G59.4Low52.2Low57 Ų57131 Ų13159%0.58869%0.686SS**SBendtrans86.710.8179.100000114.9G102G102-G105 PolarHBondContact O-N 3.25Å
106E49.1Very low52.7Low138 Ų138129.5 Ų129.565%0.64569%0.692SS**  trans-95.3135.2173.6-60.3-165.9175.300111.7G102 D104 I108G102-E106 PolarHBondContact N-O 2.98Å; D104-E106 PolarHBondContact OD1-N 2.84Å; E106-I108 PolarHBondContact O-N 3.08Å
107I52Low54Low130 Ų130120.8 Ų120.867%0.66767%0.665SS**BIsolated β-bridgetrans-75.9104.2180-60.7161.2000108.1L109I107-L109 PolarHBondContact O-N 3.47Å; I107-L109 VanDerWaalsContact O-N 3.15Å
108I55.1Low54.8Low102 Ų102118.4 Ų118.452%0.52366%0.664SS.*  trans-8199.8179.2-56.5175000107.9E106 V110E106-I108 PolarHBondContact O-N 3.08Å; I108-V110 PolarHBondContact O-N 3.28Å
109L56.4Low55.7Low147 Ų147120.8 Ų120.877%0.7767%0.668SS**  trans-60.9102.3162.2-83.5157.5000107.8I107 S111I107-L109 PolarHBondContact O-N 3.47Å; I107-L109 VanDerWaalsContact O-N 3.15Å; L109-S111 PolarHBondContact O-N 3.26Å
110V56.3Low56.6Low117 Ų117119 Ų11971%0.70966%0.663SS**  trans-62.884.3171.6-179.90000108.1I108I108-V110 PolarHBondContact O-N 3.28Å
111S53Low56.7Low105 Ų105120.1 Ų120.173%0.73467%0.666SS**  trans-128.196.9171.1-76.20000108.2L109L109-S111 PolarHBondContact O-N 3.26Å
112G56.9Low57.2Low68 Ų68122 Ų12270%0.70168%0.682SS**SBendtrans84.1114.1146.300000116.5
113D52.7Low56.5Low146 Ų146124.6 Ų124.678%0.78171%0.71SS**  69.563.1128.3-171.344.6000116.6
114K57.6Low56.3Low191 Ų191119.1 Ų119.183%0.8370%0.701SS**  trans-170.719.4161.5-105.8143-162.9-172.30120.7S116K114-S116 PolarHBondContact O-N 3.39Å
115V57.3Low55.9Low118 Ų118117.9 Ų117.972%0.71571%0.708SS**  trans-80.144172.2-48.60000112.8G117V115-G117 PolarHBondContact O-N 2.75Å
116S57.7Low55.6Low114 Ų114120.5 Ų120.580%0.79772%0.715SS**  trans-7870.8166.4-172.70000108.9K114K114-S116 PolarHBondContact O-N 3.39Å
117G64.9Low55.4Low24 Ų24120.2 Ų120.225%0.24773%0.725CS.*  trans-101.1155.5168.900000110V115 W119 N120V115-G117 PolarHBondContact O-N 2.75Å; G117-W119 PolarHBondContact O-N 2.76Å; G117-N120 PolarHBondContact O-N 3.03Å
118P66.3Low54.7Low115 Ų115125.6 Ų125.675%0.74774%0.737SS**THydrogen-bonded Turntrans-53.4-17.3172.3-21.731.5000114
119W64.4Low54.1Low236 Ų236124.9 Ų124.989%0.89475%0.746SS**THydrogen-bonded Turntrans-84.9-17.3-177.6-6982000114.4G117G117-W119 PolarHBondContact O-N 2.76Å
120N64.4Low53.3Low113 Ų113122.2 Ų122.260%0.60475%0.745SS**  trans-125.842-177.7-70.4-36.7000113G117 S122G117-N120 PolarHBondContact O-N 3.03Å; N120-S122 PolarHBondContact O-N 3.16Å
121K52.2Low52.3Low166 Ų166122 Ų12272%0.72275%0.749SS**  trans-86.3100.6169.2-75.7179.5172.81770110.3G123K121-G123 PolarHBondContact O-N 2.99Å
122S60Low52Low125 Ų125122.6 Ų122.687%0.87475%0.75SS**  trans-63.584.8150.643.90000108.6N120 A124N120-S122 PolarHBondContact O-N 3.16Å; S122-A124 PolarHBondContact O-N 3.46Å
123G44.8Very low51.1Low69 Ų69125.2 Ų125.271%0.71175%0.752SS**  trans-83.198.3173.400000110.5K121 A125K121-G123 PolarHBondContact O-N 2.99Å; G123-A125 PolarHBondContact O-N 2.85Å
124A50.2Low50.9Low101 Ų101127 Ų12784%0.83576%0.756SS**PPolyproline II helixtrans-60.6122.9164.200000109.7S122S122-A124 PolarHBondContact O-N 3.46Å
125A43.7Very low50.2Low93 Ų93127.1 Ų127.177%0.76976%0.76SS**PPolyproline II helixtrans-81.9133.2172.600000110.3G123G123-A125 PolarHBondContact O-N 2.85Å
126P51.9Low50.2Low113 Ų113130.9 Ų130.973%0.73477%0.769SS**PPolyproline II helixtrans-76.7157.117331.8-32.7000111.4R128P126-R128 PolarHBondContact O-N 3.13Å
127P44.7Very low49.5Very low132 Ų132134.1 Ų134.186%0.85777%0.772SS**PPolyproline II helixtrans-68.9128.4-17728.6-33000111.2
128R37.6Very low49Very low242 Ų242137.7 Ų137.791%0.91380%0.799SS**PPolyproline II helixtrans-77.1119.4179.2-172.9177.2-175.5-125.51110.3P126P126-R128 PolarHBondContact O-N 3.13Å
129A43Very low48.2Very low88 Ų88137.4 Ų137.473%0.72780%0.797SS**PPolyproline II helixtrans-102.6143.5167.300000111.2
130A40Very low47.6Very low91 Ų91133.3 Ų133.375%0.75279%0.788SS**  trans71.9116.9159.600000120.7
131S35.7Very low47.1Very low112 Ų112133 Ų13378%0.78380%0.801SS**  trans-62.5164.915046.20000111.2
132P46.1Very low47.6Very low117 Ų117132.5 Ų132.576%0.7680%0.799SS**  -152.3-165.550.636.6-10.9000116.9
133V37Very low47.8Very low123 Ų123131.9 Ų131.975%0.74579%0.792SS**  trans94.592.7166.7-163.40000114.8
134E49.2Very low48.2Very low183 Ų183134.4 Ų134.486%0.85580%0.796SS**  75.1102.480.4-167.4172.6-16100113.2
135E42.7Very low48.9Very low195 Ų195133.6 Ų133.691%0.91180%0.798SS**  trans-179.2131.2131.8-157.8160.5-162.600110.1
136E58.3Low50.4Low196 Ų196135.4 Ų135.492%0.91680%0.799SS**  trans-72.1130.9-179.9-74.5179.9127.200112.8
137E42.8Very low51.8Low182 Ų182137.5 Ų137.585%0.8579%0.793SS**  trans-171.9117.6134-161.3175.7169.100109.5
138A53.5Low53.6Low99 Ų99137.1 Ų137.182%0.81878%0.775SS**  trans-99.4121.6171.400000109.3
139P50.5Low55.8Low109 Ų109128.8 Ų128.871%0.70875%0.752SS**  -140.9140.8114.832.3-17.2000114.8
140E52Low57.3Low151 Ų151128.6 Ų128.671%0.70674%0.743SS**  trans75.8100.4166.3-150.1177.6-145.500116.4K142E140-K142 PolarHBondContact O-N 3.08Å; E140-K142 VanDerWaalsContact OE2-CE 3.27Å; E140-K142 WeakPolarHBondContact OE2-CE 3.42Å; E140-K142 IonicContact OE2-NZ 2.69Å
141A54.2Low58.9Low107 Ų107127.3 Ų127.388%0.88474%0.738SS**  trans-63.481171.600000111.2
142K62Low60.6Low154 Ų154124 Ų12467%0.6772%0.718SS**PPolyproline II helixtrans-75.1119.1159.4-69.3167.9-173.7157.50106E140E140-K142 PolarHBondContact O-N 3.08Å; E140-K142 VanDerWaalsContact OE2-CE 3.27Å; E140-K142 WeakPolarHBondContact OE2-CE 3.42Å; E140-K142 IonicContact OE2-NZ 2.69Å
143P63.3Low62Low113 Ų113124.9 Ų124.973%0.73471%0.706SS**PPolyproline II helixtrans-56.2128.6173.423.9-32000107.8G145P143-G145 PolarHBondContact O-N 3.18Å
144P53.5Low63.6Low122 Ų122125.3 Ų125.379%0.79270%0.704SS**THydrogen-bonded Turntrans-62.3129-171.723.5-33.2000110.7V146P144-V146 PolarHBondContact O-N 3.37Å
145G64.5Low64.3Low84 Ų84121.2 Ų121.287%0.86669%0.692SS**THydrogen-bonded Turntrans82.82145.600000118.8P143 Y147P143-G145 PolarHBondContact O-N 3.18Å; G145-Y147 PolarHBondContact O-N 2.59Å
146V75.8Confident65.1Low131 Ų131118.4 Ų118.479%0.79469%0.69SS**  trans-88.6111.9175.4-172.20000110P144 R148P144-V146 PolarHBondContact O-N 3.37Å; V146-R148 PolarHBondContact O-N 2.78Å
147Y82.5Confident65.1Low157 Ų157114 Ų11462%0.61668%0.681SS**  trans-58.5110.6170.8175.2-103.3000109.5G145 P149G145-Y147 PolarHBondContact O-N 2.59Å; Y147-P149 HydrophobicContact CE1-CB 4.2Å; Y147-P149 VanDerWaalsContact O-CD 3.27Å; Y147-P149 WeakPolarHBondContact O-CD 3.27Å
148R81.3Confident65.8Low124 Ų124116.8 Ų116.847%0.46868%0.684SS.*  trans-75.9113.9170.2-168.2174.5-178.6-1451.8107.4V146 A152 R153V146-R148 PolarHBondContact O-N 2.78Å; R148-A152 HydrophobicContact CG-CB 3.55Å; R148-A152 VanDerWaalsContact NE-C 3.29Å; R148-A152 PolarHBondContact NE-O 3.24Å; R148-A152 PolarHBondContact NH2-O 2.9Å; R148-R153 HydrophobicContact CB-CG 3.99Å; R148-R153 HydrophobicContact CG-CG 3.82Å; R148-R153 VanDerWaalsContact CZ-CA 3.42Å; R148-R153 PolarHBondContact NH1-O 3.41Å; R148-R153 PolarHBondContact O-NE 2.68Å; R148-R153 PolarHBondContact O-NH2 3.12Å
149P83.8Confident65.8Low66 Ų66123.4 Ų123.443%0.42969%0.687SS.*  trans-62.1156.3179.324.7-33000110.6Y147 G151 A152 R153Y147-P149 HydrophobicContact CE1-CB 4.2Å; Y147-P149 VanDerWaalsContact O-CD 3.27Å; Y147-P149 WeakPolarHBondContact O-CD 3.27Å; P149-G151 PolarHBondContact O-N 2.81Å; P149-G151 VanDerWaalsContact O-N 3.13Å; P149-A152 HydrophobicContact CG-CB 3.77Å; P149-A152 CarbonylContact O-C 3.59Å; P149-A152 WeakPolarHBondContact O-CA 3.41Å; P149-A152 WeakPolarHBondContact O-CB 3.47Å; P149-A152 PolarHBondContact O-N 3.4Å; P149-R153 PolarHBondContact O-N 3.17Å
150P74.6Confident66Low85 Ų85122.6 Ų122.655%0.55269%0.69SS**Hα-helixtrans-51.9-40.9-174.4-2431.9000113A152 R153P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3Å; P150-R153 WeakPolarHBondContact O-CB 3.43Å; P150-R153 PolarHBondContact O-N 3.44Å; P150-R153 VanDerWaalsContact O-N 3.16Å
151G73.6Confident66.5Low63 Ų63124.1 Ų124.165%0.64970%0.697SS**Hα-helixtrans-66-33.6176.600000113.5P149P149-G151 PolarHBondContact O-N 2.81Å; P149-G151 VanDerWaalsContact O-N 3.13Å
152A72Confident66.9Low44 Ų44124.9 Ų124.936%0.36469%0.686SS.*Hα-helixtrans-74.6-29.5174.400000111.2R148 P149 P150 L154R148-A152 HydrophobicContact CG-CB 3.55Å; R148-A152 VanDerWaalsContact NE-C 3.29Å; R148-A152 PolarHBondContact NE-O 3.24Å; R148-A152 PolarHBondContact NH2-O 2.9Å; P149-A152 HydrophobicContact CG-CB 3.77Å; P149-A152 CarbonylContact O-C 3.59Å; P149-A152 WeakPolarHBondContact O-CA 3.41Å; P149-A152 WeakPolarHBondContact O-CB 3.47Å; P149-A152 PolarHBondContact O-N 3.4Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 3.35Å
153R74.4Confident66.7Low135 Ų135124 Ų12451%0.50970%0.696SS.*Hα-helixtrans-64.4-28.9-179.1-68.2-179.1-170.5-157.10.5113.6R148 P149 P150 T155R148-R153 HydrophobicContact CB-CG 3.99Å; R148-R153 HydrophobicContact CG-CG 3.82Å; R148-R153 VanDerWaalsContact CZ-CA 3.42Å; R148-R153 PolarHBondContact NH1-O 3.41Å; R148-R153 PolarHBondContact O-NE 2.68Å; R148-R153 PolarHBondContact O-NH2 3.12Å; P149-R153 PolarHBondContact O-N 3.17Å; P150-R153 WeakPolarHBondContact O-CB 3.43Å; P150-R153 PolarHBondContact O-N 3.44Å; P150-R153 VanDerWaalsContact O-N 3.16Å; R153-T155 PolarHBondContact O-N 2.78Å; R153-T155 VanDerWaalsContact O-N 3.08Å
154L71.5Confident67.4Low132 Ų132120.3 Ų120.369%0.69168%0.679SS**SBendtrans-71.2101.9179.2-60.3171.5000109.1A152A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 3.35Å
155T62.8Low68.8Low97 Ų97120.3 Ų120.360%0.59568%0.679SS**  trans-52.9136.2159.252.60000108R153 S157R153-T155 PolarHBondContact O-N 2.78Å; R153-T155 VanDerWaalsContact O-N 3.08Å; T155-S157 PolarHBondContact O-N 3.4Å
156P60.5Low69.5Low135 Ų135119.7 Ų119.788%0.87766%0.66SS**  trans-73.358.6-178.232.6-36.9000111R158P156-R158 PolarHBondContact O-N 3.3Å
157S58.7Low70.1Confident104 Ų104118.6 Ų118.673%0.72765%0.646SS**  trans-81.6100.3166.5-166.10000106.2T155T155-S157 PolarHBondContact O-N 3.4Å
158R56.2Low70.3Confident241 Ų241117 Ų11791%0.90965%0.647SS**SBendtrans75.860.2161.8-155.6-179.1-124-177-1.2116.8P156P156-R158 PolarHBondContact O-N 3.3Å
159R54.6Low70.4Confident238 Ų238119.1 Ų119.190%0.89866%0.66SS**  trans-138.341.1146.7-152.7-178.9-74.2-175.2-2.9111.4Q161R159-Q161 PolarHBondContact O-N 3.28Å; R159-Q161 VanDerWaalsContact O-N 3.17Å
160A55Low70.5Confident92 Ų92117 Ų11776%0.7665%0.646SS**  trans-84.367.7164.300000108.6
161Q61.6Low70.9Confident182 Ų182117.4 Ų117.485%0.8564%0.644SS**SBendtrans-100.595.8146.2-69.7-167.7-63.900104R159R159-Q161 PolarHBondContact O-N 3.28Å; R159-Q161 VanDerWaalsContact O-N 3.17Å
162N62.2Low71.3Confident123 Ų123120.6 Ų120.666%0.65865%0.651SS**  trans75.6105.3179.6-130.8-13.5000116.4G164N162-G164 PolarHBondContact O-N 2.82Å
163P59Low72Confident135 Ų135122.9 Ų122.988%0.87765%0.654SS**SBendtrans-76.536171.535.9-36.5000112.2
164G77.3Confident72.7Confident37 Ų37121.2 Ų121.238%0.38165%0.651SS.*SBendtrans-104.1169.7179.100000111.7N162N162-G164 PolarHBondContact O-N 2.82Å
165P82.3Confident73.4Confident121 Ų121119.5 Ų119.579%0.78665%0.647SS**SBendtrans-47.7146.5162.6-22.532.9000110.1E167P165-E167 PolarHBondContact O-N 3.43Å
166P81.1Confident74.4Confident72 Ų72117 Ų11747%0.46863%0.634SS.*  trans-58.5132.6179.928.6-36000109.6I168 F174P166-I168 PolarHBondContact O-N 3.36Å; P166-F174 HydrophobicContact CB-CE2 3.72Å; P166-F174 HydrophobicContact CB-CZ 4.09Å; P166-F174 HydrophobicContact CG-CE2 4.14Å; P166-F174 HydrophobicContact CG-CZ 4.11Å
167E87.4Confident75.2Confident108 Ų108118.2 Ų118.251%0.50563%0.632SS.*  trans-78.5115.4-173.2-177.6176.2-173.800108.6P165 F169 S170 F174P165-E167 PolarHBondContact O-N 3.43Å; E167-F169 PolarHBondContact O-N 3.43Å; E167-S170 VanDerWaalsContact O-CB 3.29Å; E167-S170 WeakPolarHBondContact O-CB 3.37Å; E167-S170 PolarHBondContact O-N 3.29Å; E167-F174 WeakPolarHBondContact O-CD2 3.31Å
168I86Confident76Confident124 Ų124119.5 Ų119.564%0.63663%0.63SS**THydrogen-bonded Turntrans-61.1-16-17561172.3000114.1P166P166-I168 PolarHBondContact O-N 3.36Å
169F83.6Confident76.7Confident168 Ų168109.6 Ų109.674%0.73760%0.598SS**THydrogen-bonded Turntrans-103.51.5176-56-66.7000113.5E167 D171E167-F169 PolarHBondContact O-N 3.43Å; F169-D171 PolarHBondContact O-N 3.31Å
170S85.4Confident77.1Confident20 Ų20102.6 Ų102.614%0.1458%0.582CS.*  trans-76.8110.1177.9172.30000110E167 T172 Q173 F174E167-S170 VanDerWaalsContact O-CB 3.29Å; E167-S170 WeakPolarHBondContact O-CB 3.37Å; E167-S170 PolarHBondContact O-N 3.29Å; S170-T172 PolarHBondContact O-N 2.96Å; S170-T172 PolarHBondContact OG-N 2.84Å; S170-T172 PolarHBondContact OG-OG1 3.35Å; S170-Q173 PolarHBondContact O-N 3.08Å; S170-Q173 PolarHBondContact OG-N 3.44Å; S170-F174 CarbonylContact O-C 3.58Å; S170-F174 PolarHBondContact O-N 3.39Å
171D83.3Confident77.6Confident95 Ų95101 Ų10151%0.50857%0.569SS.*THydrogen-bonded Turntrans-55.1-20.7174.1-84.2-36000113.4F169 P175 S179F169-D171 PolarHBondContact O-N 3.31Å; D171-P175 WeakPolarHBondContact O-CA 3.5Å; D171-S179 PolarHBondContact OD1-OG 3.02Å
172T83.6Confident77.7Confident130 Ų130100.4 Ų100.480%0.79856%0.563SS**THydrogen-bonded Turntrans-86.6-29.4178.366.20000113.6S170S170-T172 PolarHBondContact O-N 2.96Å; S170-T172 PolarHBondContact OG-N 2.84Å; S170-T172 PolarHBondContact OG-OG1 3.35Å
173Q86.5Confident77.6Confident91 Ų9199.6 Ų99.643%0.42556%0.555SS.*THydrogen-bonded Turntrans-94.4-38.3179.3-75.8171.3-53.800111.5S170S170-Q173 PolarHBondContact O-N 3.08Å; S170-Q173 PolarHBondContact OG-N 3.44Å
174F87.8Confident77.7Confident101 Ų10196.6 Ų96.644%0.44353%0.534SS..SBendtrans-129.687.8176.6-62.1-78.2000108.4P166 E167 S170 S176P166-F174 HydrophobicContact CB-CE2 3.72Å; P166-F174 HydrophobicContact CB-CZ 4.09Å; P166-F174 HydrophobicContact CG-CE2 4.14Å; P166-F174 HydrophobicContact CG-CZ 4.11Å; E167-F174 WeakPolarHBondContact O-CD2 3.31Å; S170-F174 CarbonylContact O-C 3.58Å; S170-F174 PolarHBondContact O-N 3.39Å; F174-S176 PolarHBondContact O-N 3.3Å
175P86.9Confident77Confident95 Ų95103.6 Ų103.662%0.61756%0.557SS**  trans-58.6113.9174.422.6-30.9000108.9D171D171-P175 WeakPolarHBondContact O-CA 3.5Å
176S84.3Confident76.2Confident45 Ų45100 Ų10032%0.31553%0.533SS..  trans-63.4151.2178.181.90000110.1F174 L178 S179F174-S176 PolarHBondContact O-N 3.3Å; S176-L178 PolarHBondContact O-N 3.46Å; S176-L178 VanDerWaalsContact O-N 3.12Å; S176-L178 PolarHBondContact OG-N 3.12Å; S176-S179 WeakPolarHBondContact O-CA 3.27Å; S176-S179 VanDerWaalsContact O-CB 3.25Å; S176-S179 WeakPolarHBondContact O-CB 3.26Å; S176-S179 PolarHBondContact O-N 3Å; S176-S179 PolarHBondContact OG-N 2.68Å; S176-S179 VanDerWaalsContact OG-N 3.11Å; S176-S179 PolarHBondContact OG-OG 3.46Å
177L76.8Confident75.5Confident160 Ų160107.2 Ų107.284%0.83855%0.551SS**Hα-helixtrans-55.5-31.9174.6-66.8174.1000111.4S179 T180L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.38Å; L177-T180 PolarHBondContact O-N 2.68Å; L177-T180 PolarHBondContact O-OG1 3.01Å
178L75.8Confident74.7Confident132 Ų132109.4 Ų109.469%0.69156%0.559SS**Hα-helixtrans-69.8-23.9174.9-58.5174.9000113.5S176 T180 A181 K182S176-L178 PolarHBondContact O-N 3.46Å; S176-L178 VanDerWaalsContact O-N 3.12Å; S176-L178 PolarHBondContact OG-N 3.12Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.06Å; L178-A181 WeakPolarHBondContact O-CB 3.46Å; L178-A181 PolarHBondContact O-N 3.36Å; L178-A181 VanDerWaalsContact O-N 3.16Å; L178-K182 PolarHBondContact O-N 3.46Å
179S70.7Confident74Confident33 Ų33105 Ų10523%0.23154%0.537CS..Hα-helixtrans-68.3-29.7177.9-58.40000111.3D171 S176 L177D171-S179 PolarHBondContact OD1-OG 3.02Å; S176-S179 WeakPolarHBondContact O-CA 3.27Å; S176-S179 VanDerWaalsContact O-CB 3.25Å; S176-S179 WeakPolarHBondContact O-CB 3.26Å; S176-S179 PolarHBondContact O-N 3Å; S176-S179 PolarHBondContact OG-N 2.68Å; S176-S179 VanDerWaalsContact OG-N 3.11Å; S176-S179 PolarHBondContact OG-OG 3.46Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.38Å
180T63Low73.5Confident91 Ų91105.6 Ų105.656%0.55853%0.534SS*.Hα-helixtrans-72.4-34.2170.971.10000112.2L177 L178 K182 H183 V184L177-T180 PolarHBondContact O-N 2.68Å; L177-T180 PolarHBondContact O-OG1 3.01Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.06Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 2.89Å; T180-H183 WeakPolarHBondContact O-CA 3.34Å; T180-H183 WeakPolarHBondContact O-CB 3.38Å; T180-H183 PolarHBondContact O-N 2.89Å; T180-V184 PolarHBondContact O-N 3.36Å
181A65.9Low73.1Confident59 Ų59110.1 Ų110.149%0.48855%0.553SS.*Hα-helixtrans-62.5-33177.700000112.5L178 H183L178-A181 WeakPolarHBondContact O-CB 3.46Å; L178-A181 PolarHBondContact O-N 3.36Å; L178-A181 VanDerWaalsContact O-N 3.16Å; A181-H183 VanDerWaalsContact C-N 3.27Å; A181-H183 PolarHBondContact O-N 3.06Å
182K62Low72.6Confident169 Ų169110.6 Ų110.674%0.73555%0.554SS**THydrogen-bonded Turntrans-72-18.8171.8-64.2179.4-176.91690113.4L178 T180L178-K182 PolarHBondContact O-N 3.46Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 2.89Å
183H61.2Low72.2Confident105 Ų105109.2 Ų109.249%0.48654%0.538SS..THydrogen-bonded Turntrans-95.5-6.1-177.5-160.7-80.3000113.4T180 A181 E185 T186T180-H183 WeakPolarHBondContact O-CA 3.34Å; T180-H183 WeakPolarHBondContact O-CB 3.38Å; T180-H183 PolarHBondContact O-N 2.89Å; A181-H183 VanDerWaalsContact C-N 3.27Å; A181-H183 PolarHBondContact O-N 3.06Å; H183-E185 PolarHBondContact O-N 2.93Å; H183-T186 PolarHBondContact CE1-OG1 2.7Å; H183-T186 PolarHBondContact ND1-OG1 2.89Å; H183-T186 WeakPolarHBondContact O-CG2 3.29Å; H183-T186 PolarHBondContact O-N 2.91Å; H183-T186 PolarHBondContact O-OG1 3.06Å
184V61.3Low71.9Confident72 Ų72112.3 Ų112.344%0.43655%0.55SS..THydrogen-bonded Turntrans-64.2-24175.2167.60000112.3T180 T186 D189T180-V184 PolarHBondContact O-N 3.36Å; V184-T186 VanDerWaalsContact C-N 3.25Å; V184-T186 PolarHBondContact O-N 3.41Å; V184-D189 WeakPolarHBondContact CA-OD2 3.37Å; V184-D189 VanDerWaalsContact CG1-OD2 3.32Å; V184-D189 WeakPolarHBondContact CG1-OD2 3.19Å; V184-D189 VanDerWaalsContact O-CB 3.25Å; V184-D189 WeakPolarHBondContact O-CB 3.39Å
185E62.9Low71.6Confident184 Ų184113.1 Ų113.186%0.8656%0.564SS**THydrogen-bonded Turntrans-81.3-5178.6-64.5-178169.100113.6H183H183-E185 PolarHBondContact O-N 2.93Å
186T65.2Low71.1Confident46 Ų46113.4 Ų113.428%0.28256%0.555SS.*SBendtrans-76.4147.9-178.769.20000111H183 V184 K188 D189H183-T186 PolarHBondContact CE1-OG1 2.7Å; H183-T186 PolarHBondContact ND1-OG1 2.89Å; H183-T186 WeakPolarHBondContact O-CG2 3.29Å; H183-T186 PolarHBondContact O-N 2.91Å; H183-T186 PolarHBondContact O-OG1 3.06Å; V184-T186 VanDerWaalsContact C-N 3.25Å; V184-T186 PolarHBondContact O-N 3.41Å; T186-K188 PolarHBondContact O-N 3.08Å; T186-D189 PolarHBondContact O-N 2.87Å
187R65.4Low71.1Confident223 Ų223119.6 Ų119.684%0.84258%0.579SS**Hα-helixtrans-49.9-28.4179-74.9-176.5177.3-172.1-0.4114.1E191R187-E191 PolarHBondContact O-N 2.65Å
188K71.1Confident71.3Confident154 Ų154116.4 Ų116.467%0.6757%0.566SS**Hα-helixtrans-66.3-37.4177.4-74.8-161.8175-173.30112.6T186 E191 M192T186-K188 PolarHBondContact O-N 3.08Å; K188-E191 WeakPolarHBondContact O-CB 3.41Å; K188-E191 PolarHBondContact O-N 3.35Å; K188-M192 WeakPolarHBondContact O-CG 3.46Å; K188-M192 PolarHBondContact O-N 3.19Å
189D71.8Confident71.3Confident33 Ų33114.6 Ų114.618%0.17656%0.56CS.*Hα-helixtrans-72.7-37.2-179.6-145.552.9000111.4V184 T186 E191 M192 E193V184-D189 WeakPolarHBondContact CA-OD2 3.37Å; V184-D189 VanDerWaalsContact CG1-OD2 3.32Å; V184-D189 WeakPolarHBondContact CG1-OD2 3.19Å; V184-D189 VanDerWaalsContact O-CB 3.25Å; V184-D189 WeakPolarHBondContact O-CB 3.39Å; T186-D189 PolarHBondContact O-N 2.87Å; D189-E191 PolarHBondContact O-N 3.38Å; D189-M192 CarbonylContact O-C 3.58Å; D189-M192 WeakPolarHBondContact O-CA 3.18Å; D189-M192 WeakPolarHBondContact O-CB 3.45Å; D189-M192 PolarHBondContact O-N 3.15Å; D189-E193 WeakPolarHBondContact O-CG 3.27Å; D189-E193 PolarHBondContact O-N 3.4Å
190R72.7Confident71.7Confident179 Ų179121.6 Ų121.668%0.67559%0.587SS**Hα-helixtrans-63-23.9169.9-172.1165.5-178.3166.90.8113.4K194R190-K194 WeakPolarHBondContact O-CD 3.49Å; R190-K194 VanDerWaalsContact O-CE 3.25Å; R190-K194 WeakPolarHBondContact O-CE 3.19Å; R190-K194 WeakPolarHBondContact O-CG 3.41Å
191E76.1Confident71.6Confident116 Ų116125.7 Ų125.754%0.54260%0.599SS.*Hα-helixtrans-79.1-38.7169.7-74170.6-17500111.1R187 K188 D189 E193 K194 T195R187-E191 PolarHBondContact O-N 2.65Å; K188-E191 WeakPolarHBondContact O-CB 3.41Å; K188-E191 PolarHBondContact O-N 3.35Å; D189-E191 PolarHBondContact O-N 3.38Å; E191-E193 VanDerWaalsContact C-N 3.33Å; E191-E193 PolarHBondContact O-N 3.36Å; E191-K194 WeakPolarHBondContact O-CB 2.96Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-T195 PolarHBondContact O-N 2.71Å
192M74Confident71.4Confident105 Ų105131.5 Ų131.552%0.51761%0.613SS.*Hα-helixtrans-62-41.7174.3-55.7-129.2-64.200111.1K188 D189 K194 T195 F196K188-M192 WeakPolarHBondContact O-CG 3.46Å; K188-M192 PolarHBondContact O-N 3.19Å; D189-M192 CarbonylContact O-C 3.58Å; D189-M192 WeakPolarHBondContact O-CA 3.18Å; D189-M192 WeakPolarHBondContact O-CB 3.45Å; D189-M192 PolarHBondContact O-N 3.15Å; M192-K194 PolarHBondContact O-N 2.77Å; M192-K194 VanDerWaalsContact O-N 3.12Å; M192-T195 WeakPolarHBondContact O-CA 3.49Å; M192-T195 PolarHBondContact O-N 2.87Å; M192-T195 PolarHBondContact O-OG1 3.18Å; M192-F196 VanDerWaalsContact C-CD1 3.45Å; M192-F196 HydrophobicContact CB-CE1 4.11Å; M192-F196 WeakPolarHBondContact O-CD1 3.39Å; M192-F196 WeakPolarHBondContact O-CE1 3.09Å; M192-F196 PolarHBondContact O-N 2.73Å
193E74.8Confident71.1Confident101 Ų101131 Ų13147%0.47262%0.619SS.*Hα-helixtrans-57.6-23.8172.4-74.1-180168.700114.6D189 E191 F196D189-E193 WeakPolarHBondContact O-CG 3.27Å; D189-E193 PolarHBondContact O-N 3.4Å; E191-E193 VanDerWaalsContact C-N 3.33Å; E191-E193 PolarHBondContact O-N 3.36Å; E193-F196 HydrophobicContact CB-CE1 4.36Å; E193-F196 HydrophobicContact CB-CE2 4.23Å; E193-F196 HydrophobicContact CB-CZ 3.9Å; E193-F196 HydrophobicContact CG-CE1 4.18Å; E193-F196 HydrophobicContact CG-CE2 4.01Å; E193-F196 HydrophobicContact CG-CZ 3.45Å; E193-F196 VanDerWaalsContact CG-CZ 3.45Å; E193-F196 VanDerWaalsContact N-CE1 3.34Å
194K79.7Confident70.8Confident155 Ų155138.2 Ų138.267%0.67464%0.642SS**Hα-helixtrans-82.5-21.6174.3-62.4164.6-168.3169.90112.1R190 E191 M192R190-K194 WeakPolarHBondContact O-CD 3.49Å; R190-K194 VanDerWaalsContact O-CE 3.25Å; R190-K194 WeakPolarHBondContact O-CE 3.19Å; R190-K194 WeakPolarHBondContact O-CG 3.41Å; E191-K194 WeakPolarHBondContact O-CB 2.96Å; E191-K194 PolarHBondContact O-N 2.9Å; M192-K194 PolarHBondContact O-N 2.77Å; M192-K194 VanDerWaalsContact O-N 3.12Å
195T82.2Confident70.5Confident119 Ų119137.7 Ų137.773%0.7365%0.651SS**Hα-helixtrans-87.5-18.5-179.363.40000113.3E191 M192E191-T195 PolarHBondContact O-N 2.71Å; M192-T195 WeakPolarHBondContact O-CA 3.49Å; M192-T195 PolarHBondContact O-N 2.87Å; M192-T195 PolarHBondContact O-OG1 3.18Å
196F77.1Confident70.4Confident100 Ų100140.2 Ų140.244%0.43965%0.653SS.*SBendtrans-110130173.255.7-103.7000111.6M192 E193 V198M192-F196 VanDerWaalsContact C-CD1 3.45Å; M192-F196 HydrophobicContact CB-CE1 4.11Å; M192-F196 WeakPolarHBondContact O-CD1 3.39Å; M192-F196 WeakPolarHBondContact O-CE1 3.09Å; M192-F196 PolarHBondContact O-N 2.73Å; E193-F196 HydrophobicContact CB-CE1 4.36Å; E193-F196 HydrophobicContact CB-CE2 4.23Å; E193-F196 HydrophobicContact CB-CZ 3.9Å; E193-F196 HydrophobicContact CG-CE1 4.18Å; E193-F196 HydrophobicContact CG-CE2 4.01Å; E193-F196 HydrophobicContact CG-CZ 3.45Å; E193-F196 VanDerWaalsContact CG-CZ 3.45Å; E193-F196 VanDerWaalsContact N-CE1 3.34Å; F196-V198 HydrophobicContact CD2-CG2 3.49Å; F196-V198 VanDerWaalsContact CD2-CG2 3.49Å; F196-V198 HydrophobicContact CE2-CG2 3.44Å; F196-V198 VanDerWaalsContact CE2-CG2 3.44Å; F196-V198 PolarHBondContact O-N 3.32Å
197E83.4Confident69.4Low175 Ų175146.5 Ų146.582%0.81868%0.679SS**  trans-77107.4169.9-172.8176.9171.300108.7V199E197-V199 PolarHBondContact O-N 2.92Å
198V80.4Confident68.4Low94 Ų94143.5 Ų143.557%0.5767%0.674SS**  trans-7297.3173.1-175.10000108.6F196 K200F196-V198 HydrophobicContact CD2-CG2 3.49Å; F196-V198 VanDerWaalsContact CD2-CG2 3.49Å; F196-V198 HydrophobicContact CE2-CG2 3.44Å; F196-V198 VanDerWaalsContact CE2-CG2 3.44Å; F196-V198 PolarHBondContact O-N 3.32Å; V198-K200 VanDerWaalsContact C-N 3.33Å; V198-K200 HydrophobicContact CG1-CG 4.12Å; V198-K200 PolarHBondContact O-N 3.41Å
199V76.2Confident67.6Low94 Ų94142.4 Ų142.457%0.5768%0.68SS**  trans-72.188.5174.6-171.90000108.9E197 H201E197-V199 PolarHBondContact O-N 2.92Å; V199-H201 PolarHBondContact O-CD2 3.25Å; V199-H201 PolarHBondContact O-N 3.04Å
200K80.2Confident66Low180 Ų180144.2 Ų144.278%0.78371%0.707SS**  trans-77.7110.6167.7-80.3-168.2165173.80109.2V198 K202V198-K200 VanDerWaalsContact C-N 3.33Å; V198-K200 HydrophobicContact CG1-CG 4.12Å; V198-K200 PolarHBondContact O-N 3.41Å; K200-K202 VanDerWaalsContact C-N 3.28Å; K200-K202 PolarHBondContact O-N 3.04Å
201H59.7Low65Low176 Ų176142 Ų14282%0.81572%0.719SS**  trans-69.484.5173.9-74.7-135.9000109.9V199V199-H201 PolarHBondContact O-CD2 3.25Å; V199-H201 PolarHBondContact O-N 3.04Å
202K61.3Low63.8Low181 Ų181139.7 Ų139.779%0.78773%0.727SS**SBendtrans-122.2103.5163.2-81.9-169.2159.6-173.40108.3K200K200-K202 VanDerWaalsContact C-N 3.28Å; K200-K202 PolarHBondContact O-N 3.04Å
203N56.9Low62.8Low160 Ų160139.4 Ų139.486%0.85674%0.735SS**  trans40.578.9164.1-58.5-51.9000114G205N203-G205 PolarHBondContact O-N 3.23Å
204R54.5Low61.9Low255 Ų255141.7 Ų141.796%0.96276%0.755SS**  trans-71.772167.9-163.2160.7-163.6110.62.4109.7
205G55.3Low61.1Low61 Ų61141.6 Ų141.663%0.62976%0.757SS**  trans-96.3115.4161.400000108.3N203N203-G205 PolarHBondContact O-N 3.23Å
206R60.9Low60.1Low238 Ų238143.7 Ų143.790%0.89876%0.758SS**  trans53.199.7142.9-174.2-177.2-179-137-1.5116.9
207E42.9Very low59.7Low177 Ų177145 Ų14583%0.82777%0.77SS**  trans-171.4156.8137.3-109.8-76.2158.900110.1
208E44.4Very low59.1Low161 Ų161143.7 Ų143.775%0.75276%0.763SS**  trans-75168.1-160.5-79.2-149.9147.200115.8
209T54.3Low58.6Low130 Ų130146.7 Ų146.780%0.79878%0.775SS**  trans-19.5129.9164.557.40000117.6
210G39.7Very low58.5Low72 Ų72147.9 Ų147.974%0.74278%0.778SS**  trans-166.688.1165.500000112.6
211S51.3Low58.3Low132 Ų132145.5 Ų145.592%0.92378%0.775SS**  trans32.6991441660000117.5
212G50.5Low58.9Low68 Ų68144.2 Ų144.270%0.70177%0.769SS**  trans-167.188.7166.700000112.1
213S53.5Low59.2Low99 Ų99144.2 Ų144.269%0.69277%0.765SS**  trans43.989.6167.766.40000116.9Q215S213-Q215 PolarHBondContact O-N 3.29Å
214V56.1Low59.7Low148 Ų148140.6 Ų140.690%0.89776%0.757SS**  trans-67.295.5148.1-173.80000104.8H216V214-H216 PolarHBondContact O-N 3.45Å
215Q61.2Low60.3Low153 Ų153135.7 Ų135.772%0.71575%0.748SS**  trans-63.5106.7171.5-65-161.732.100106.4S213 L217S213-Q215 PolarHBondContact O-N 3.29Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.75Å
216H62.4Low60.9Low163 Ų163140.3 Ų140.376%0.75576%0.758SS**  trans-68.394.3172.2-17387000106.7V214 Q218V214-H216 PolarHBondContact O-N 3.45Å; H216-Q218 PolarHBondContact O-N 3.22Å; H216-Q218 VanDerWaalsContact O-N 3.08Å
217L68.8Low61Low129 Ų129132 Ų13268%0.67575%0.747SS**  trans-60.8112.7173.1-66.4169.2000107Q215 L219Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.75Å; L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 HydrophobicContact CB-CD2 4.37Å; L217-L219 HydrophobicContact CB-CG 4.49Å; L217-L219 PolarHBondContact O-N 2.96Å
218Q69.8Low61.9Low146 Ų146131.1 Ų131.168%0.68275%0.748SS**  trans-70.195.1172.4-71.4178.2-82.900107.8H216 D220H216-Q218 PolarHBondContact O-N 3.22Å; H216-Q218 VanDerWaalsContact O-N 3.08Å; Q218-D220 PolarHBondContact O-N 2.87Å
219L70.8Confident62.2Low157 Ų157136.9 Ų136.982%0.82277%0.77SS**  trans-82.227.3173.9-60.7178.2000111.6L217L217-L219 VanDerWaalsContact C-N 3.32Å; L217-L219 HydrophobicContact CB-CD2 4.37Å; L217-L219 HydrophobicContact CB-CG 4.49Å; L217-L219 PolarHBondContact O-N 2.96Å
220D74.7Confident62.6Low119 Ų119137.2 Ų137.264%0.63677%0.769SS**  trans-79.6143.9178-67.9-27.2000110.3Q218 Q222Q218-D220 PolarHBondContact O-N 2.87Å; D220-Q222 PolarHBondContact O-N 3.12Å; D220-Q222 VanDerWaalsContact O-N 3.12Å
221N75.1Confident63.8Low131 Ų131140.6 Ų140.670%0.70177%0.77SS**  trans-71.7105.5-175-143.6-10.4000109.9Y223 A224N221-Y223 PolarHBondContact O-N 2.91Å; N221-A224 PolarHBondContact O-N 2.79Å
222Q71.9Confident64.5Low148 Ų148141.1 Ų141.169%0.69276%0.762SS**THydrogen-bonded Turntrans-62.4-13.7-174.2-61.9-74.3-38.500114.1D220D220-Q222 PolarHBondContact O-N 3.12Å; D220-Q222 VanDerWaalsContact O-N 3.12Å
223Y68.6Low65.3Low182 Ų182145.4 Ų145.471%0.71477%0.765SS**THydrogen-bonded Turntrans-92.7-3.6-176.5-59.8-75.1000114.5N221 I225 L226N221-Y223 PolarHBondContact O-N 2.91Å; Y223-I225 PolarHBondContact O-N 2.98Å; Y223-I225 VanDerWaalsContact O-N 3.11Å; Y223-L226 PolarHBondContact O-N 2.96Å
224A67.6Low66Low83 Ų83148.3 Ų148.369%0.68677%0.77SS**G310 helixtrans-60.5-22.7179.800000113.4N221 L226N221-A224 PolarHBondContact O-N 2.79Å; A224-L226 VanDerWaalsContact C-N 3.29Å; A224-L226 PolarHBondContact O-N 2.75Å
225I67.3Low66.7Low152 Ų152148.3 Ų148.378%0.77976%0.761SS**G310 helixtrans-76.2-15.1-177.7-58166.4000112.3Y223Y223-I225 PolarHBondContact O-N 2.98Å; Y223-I225 VanDerWaalsContact O-N 3.11Å
226L67.6Low67.1Low158 Ų158148 Ų14883%0.82777%0.765SS**G310 helixtrans-926.5-173.1-142.972.6000114.3Y223 A224Y223-L226 PolarHBondContact O-N 2.96Å; A224-L226 VanDerWaalsContact C-N 3.29Å; A224-L226 PolarHBondContact O-N 2.75Å
227G62.3Low67.5Low65 Ų65146.8 Ų146.867%0.6777%0.765SS**G310 helixtrans-95.3-12.3-174.300000116.7
228D62.3Low67.3Low157 Ų157148.3 Ų148.384%0.8477%0.773SS**  trans-110.984.9180-94.3-13.9000110.7
229K50.3Low67.1Low282 Ų282148.5 Ų148.5100%1.22678%0.781SS**  trans-1490156.1-74.4-162.8179.7172.10111.1

Retrieved 229 of 229 residues in 29.7 ms (Link to these results)