A0A077ZCD7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1M42.8Very low44.4Very low230 Ų230157.8 Ų157.8100%1.13383%0.83SS**  0131.40-56.3-162.392.400107.2L3M1-L3 PolarHBondContact O-N 3.32Å
2S45Very low44.5Very low111 Ų111156.9 Ų156.978%0.77682%0.824SS**  trans-61.1122.1-161630000113.5F4S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 3.31Å
3L45.3Very low44.3Very low166 Ų166153.3 Ų153.387%0.86982%0.82SS**  trans-88.329.3-177.8-72.8165.5000113.7M1 P5M1-L3 PolarHBondContact O-N 3.32Å; L3-P5 VanDerWaalsContact O-CD 3.31Å; L3-P5 WeakPolarHBondContact O-CD 3.47Å
4F46.1Very low44Very low178 Ų178151.6 Ų151.678%0.78182%0.817SS**  trans-100107.9176.2-69.9-75.1000109.7S2 R6S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 3.31Å; F4-R6 PolarHBondContact O-N 3.32Å
5P49.4Very low43.4Very low119 Ų119149.4 Ų149.477%0.77382%0.816SS**  trans-64.5109.6171.225.3-29.6000107.8L3L3-P5 VanDerWaalsContact O-CD 3.31Å; L3-P5 WeakPolarHBondContact O-CD 3.47Å
6R43.4Very low43Very low228 Ų228146 Ų14686%0.8681%0.807SS**  trans-61.1128.8170.1-76.2-176.6175.5-178.7-1.4107.9F4 L8F4-R6 PolarHBondContact O-N 3.32Å; R6-L8 PolarHBondContact O-N 3.09Å
7P47.1Very low42.8Very low111 Ų111144.2 Ų144.272%0.72180%0.803SS**  trans-59.4123.6170.5-16.528.7000108.3V9P7-V9 HydrophobicContact CB-CG2 4.44Å; P7-V9 PolarHBondContact O-N 2.83Å
8L41.4Very low42.8Very low177 Ų177143.3 Ų143.393%0.92781%0.805SS**  trans-66.380.1170.8-70.1161.3000107.9R6 P10R6-L8 PolarHBondContact O-N 3.09Å; L8-P10 WeakPolarHBondContact O-CD 3.14Å
9V40.8Very low42.7Very low118 Ų118146.7 Ų146.772%0.71581%0.81SS**  trans-74.8119.8168.1-177.30000106.3P7 E11P7-V9 HydrophobicContact CB-CG2 4.44Å; P7-V9 PolarHBondContact O-N 2.83Å; V9-E11 PolarHBondContact O-N 2.99Å
10P43.5Very low42.3Very low102 Ų102145.1 Ų145.166%0.66281%0.81SS**  trans-60.7126.5176.1-18.931000109.2L8 I12L8-P10 WeakPolarHBondContact O-CD 3.14Å; P10-I12 PolarHBondContact O-N 3.17Å
11E44.2Very low41.8Very low196 Ų196143.8 Ų143.892%0.91681%0.809SS**  trans-62.485.9169.1-65.9-172165.800108.8V9 S13V9-E11 PolarHBondContact O-N 2.99Å; E11-S13 PolarHBondContact O-N 2.71Å; E11-S13 VanDerWaalsContact O-N 3.08Å
12I44.9Very low41.7Very low147 Ų147138.9 Ų138.975%0.75479%0.794SS**  trans-73.1100.8166.549.4165000107P10 V14P10-I12 PolarHBondContact O-N 3.17Å; I12-V14 PolarHBondContact O-N 3.35Å
13S42.3Very low41.1Very low110 Ų110140 Ų14077%0.76980%0.796SS**  trans-58.6112.8171.7630000108.3E11 C15E11-S13 PolarHBondContact O-N 2.71Å; E11-S13 VanDerWaalsContact O-N 3.08Å; S13-C15 PolarHBondContact O-N 2.76Å
14V40.2Very low40.7Very low129 Ų129144 Ų14478%0.78280%0.8SS**  trans-70.689.5173.5-179.30000106.5I12 S16I12-V14 PolarHBondContact O-N 3.35Å; V14-S16 PolarHBondContact O-N 3.46Å; V14-S16 VanDerWaalsContact O-N 3.11Å
15C34.4Very low40.2Very low119 Ų119144.9 Ų144.980%0.80480%0.803SS**  trans-62.2114.2174.4-157.70000107.6S13S13-C15 PolarHBondContact O-N 2.76Å
16S36.7Very low39.4Very low95 Ų95147.2 Ų147.266%0.66480%0.804SS**PPolyproline II helixtrans-63.4145-176.4-62.50000111V14V14-S16 PolarHBondContact O-N 3.46Å; V14-S16 VanDerWaalsContact O-N 3.11Å
17P40Very low39Very low115 Ų115142.2 Ų142.275%0.74780%0.798SS**PPolyproline II helixtrans-59.5140.8-178.1-19.730000112K19P17-K19 PolarHBondContact O-N 2.87Å
18P43.2Very low38.3Very low128 Ų128143.2 Ų143.283%0.83180%0.796SS**PPolyproline II helixtrans-62.4135.2173.724.6-31.2000110.7
19K40.6Very low38.1Very low208 Ų208144 Ų14490%0.90479%0.792SS**PPolyproline II helixtrans-55.3135.7179.5-73.5172.6177.1172.40111.1P17P17-K19 PolarHBondContact O-N 2.87Å
20S35.7Very low37.6Very low115 Ų115144.2 Ų144.280%0.80479%0.794SS**  trans-43.3139.9-178.450.90000115.7
21C31.2Very low37.2Very low118 Ų118144.8 Ų144.880%0.79780%0.8SS**  trans-61.9145.2177.8-57.60000113.8V23C21-V23 PolarHBondContact O-N 2.94Å
22P39.6Very low36.4Very low126 Ų126141.8 Ų141.882%0.81880%0.795SS**  trans-73.6123.5170.328.1-31.1000111.6R24P22-R24 PolarHBondContact O-N 2.83Å
23V32.4Very low35.9Very low136 Ų136144.2 Ų144.282%0.82480%0.8SS**  trans-60.2109.5171.1174.90000109.7C21C21-V23 PolarHBondContact O-N 2.94Å
24R37.1Very low35.2Very low250 Ų250150.5 Ų150.594%0.94381%0.807SS**  trans-97.2120.1168.2-114.2-178.6175.9177.5-1.1109.9P22P22-R24 PolarHBondContact O-N 2.83Å
25K37.2Very low34.9Very low196 Ų196149 Ų14985%0.85281%0.808SS**  trans-66.3149.8-172.7-68172176.4177.20112.8
26Q30.8Very low34.5Very low168 Ų168148.6 Ų148.679%0.78581%0.807SS**  trans-43.3141.9173.4-63.2166.9-17.900114.6
27V36Very low34.4Very low122 Ų122149.1 Ų149.174%0.73981%0.811SS**  trans-135.2100.3148.5179.30000107.5K29V27-K29 HydrophobicContact CG1-CG 4.16Å
28I32.6Very low33.9Very low132 Ų132152 Ų15268%0.67781%0.814SS**  trans-78.1118.5169.5-63.5162.9000106.5T30I28-T30 HydrophobicContact CG2-CG2 4.23Å
29K36.3Very low33.4Very low193 Ų193155.1 Ų155.184%0.83982%0.815SS**  trans-122.796.8164.8-81.4-177.8178.9-1800108.7V27V27-K29 HydrophobicContact CG1-CG 4.16Å
30T30.9Very low33Very low124 Ų124151.2 Ų151.276%0.76181%0.812SS**  trans-80.3117.1163.545.40000108.6I28I28-T30 HydrophobicContact CG2-CG2 4.23Å
31S34.8Very low32.6Very low113 Ų113154.1 Ų154.179%0.7982%0.818SS**  trans-130.890.9166.5169.50000109
32T28.4Very low32.8Very low133 Ų133152.6 Ų152.682%0.81681%0.814SS**  trans-70.8117.8166.3-33.20000108.6
33K34Very low32.4Very low198 Ų198155.7 Ų155.786%0.86182%0.817SS**  trans-153.9113.3156.3-112.7171.9-172.8-177.90111.1
34R27Very low32.4Very low243 Ų243159.9 Ų159.992%0.91782%0.818SS**  trans-52140.6163.9-68.2172.3177.3169.2-2.1110.3
35A33.9Very low31.9Very low97 Ų97157.5 Ų157.580%0.80282%0.818SS**  trans-163.8109.4138.100000108.9
36S27Very low31.7Very low110 Ų110156.4 Ų156.477%0.76981%0.813SS**  trans-57132.6161.4171.80000109.6
37S34Very low31.9Very low107 Ų107155.8 Ų155.875%0.74882%0.815SS**  trans-156.776.8166.5165.60000108.3K39S37-K39 PolarHBondContact O-N 3.33Å
38E28.8Very low31.5Very low175 Ų175153.6 Ų153.682%0.81882%0.817SS**  trans-59.5112.1157.2-70.2171.6111.900108.9
39K33.4Very low31.3Very low193 Ų193156.8 Ų156.884%0.83983%0.826SS**  trans-177.9149.3153.7-102.9155.5-173.5-176.80110.1S37S37-K39 PolarHBondContact O-N 3.33Å
40C31.9Very low31.4Very low126 Ų126153.5 Ų153.585%0.85182%0.824SS**  trans84.761.5178.6-51.80000115.5
41L28.5Very low31.4Very low176 Ų176156.1 Ų156.192%0.92183%0.828SS**  trans-58.7143.2137.8-88.8160.6000109.2
42A33.5Very low31.4Very low87 Ų87160.6 Ų160.672%0.71983%0.834SS**  trans77.584.2167.200000117.8
43Q31.4Very low31.8Very low190 Ų190157.7 Ų157.789%0.88883%0.83SS**  -174.8140.1122.4-113.1167.8-31.600112.2
44R32.6Very low31.9Very low225 Ų225156.9 Ų156.985%0.84983%0.831SS**  trans87.172.2168.9-61.4-176.5168.9-175.5-3.4116.6K46R44-K46 VanDerWaalsContact C-N 3.32Å; R44-K46 PolarHBondContact O-N 2.88Å
45E26.3Very low32.4Very low199 Ų199149.5 Ų149.593%0.9382%0.822SS**  -57101.2124.6-80-176114.800108.5
46K33.2Very low32.3Very low174 Ų174150.7 Ų150.776%0.75782%0.823SS**  trans-169.6130.7152.1-110.8175-176.9-175.40109.1R44R44-K46 VanDerWaalsContact C-N 3.32Å; R44-K46 PolarHBondContact O-N 2.88Å
47D35.4Very low32.7Very low155 Ų155154.5 Ų154.583%0.82983%0.826SS**  trans70.397170.1-49.4-54.6000113.6
48G28.3Very low32.9Very low75 Ų75154.6 Ų154.677%0.77382%0.824SS**  95.7915100000109.1
49K27.7Very low33.4Very low199 Ų199151.2 Ų151.287%0.86582%0.817SS**  trans85.5102.9160.7-116.1150.4-176.3171.90118.5Q51K49-Q51 PolarHBondContact O-N 2.84Å
50P38.2Very low33.7Very low124 Ų124148 Ų14881%0.80582%0.819SS**  trans-70.2120.3167.326.7-29.9000111F52P50-F52 PolarHBondContact O-N 3.36Å
51Q30.8Very low34.1Very low179 Ų179146.5 Ų146.584%0.83681%0.81SS**  trans-82.369.9168-80.3-172.4-18.100110.7K49K49-Q51 PolarHBondContact O-N 2.84Å
52F35.5Very low34.7Very low208 Ų208145 Ų14591%0.91280%0.802SS**  trans-147.8111.6163.2-76.1-72.9000110.1P50P50-F52 PolarHBondContact O-N 3.36Å
53G35.5Very low35.1Very low71 Ų71145.6 Ų145.673%0.73281%0.807SS**  trans172.269.3179.500000108A55G53-A55 PolarHBondContact O-N 2.8Å
54M38.1Very low35.6Very low182 Ų182146.4 Ų146.490%0.89781%0.807SS**  trans-54.2100.8160.7-72.5-101.983.600106C56M54-C56 PolarHBondContact O-N 2.85Å
55A36.3Very low36.2Very low88 Ų88139.7 Ų139.773%0.72780%0.795SS**  trans-64.892.5174.900000107G53 K57G53-A55 PolarHBondContact O-N 2.8Å; A55-K57 PolarHBondContact O-N 2.72Å
56C32.9Very low37Very low121 Ų121132.8 Ų132.882%0.81878%0.778SS**  trans-57.498158.1-79.50000105.8M54 P58M54-C56 PolarHBondContact O-N 2.85Å; C56-P58 VanDerWaalsContact O-CD 3.23Å; C56-P58 WeakPolarHBondContact O-CD 3.46Å; C56-P58 VanDerWaalsContact O-N 3.12Å
57K34.3Very low37.8Very low191 Ų191131 Ų13183%0.8378%0.775SS**  trans-56.5115.8172.2-76.3176.6175.5176.80106.9A55A55-K57 PolarHBondContact O-N 2.72Å
58P38.1Very low38.8Very low108 Ų108126.1 Ų126.170%0.70176%0.762SS**  trans-61.1144.2169.126-30.8000108C56 S60C56-P58 VanDerWaalsContact O-CD 3.23Å; C56-P58 WeakPolarHBondContact O-CD 3.46Å; C56-P58 VanDerWaalsContact O-N 3.12Å; P58-S60 PolarHBondContact O-N 2.68Å
59P38.7Very low40.4Very low105 Ų105124.2 Ų124.268%0.68274%0.742SS**  trans-56.7116.2178.422.6-31.6000109.1S61P59-S61 PolarHBondContact O-N 3.26Å
60S41Very low42.8Very low126 Ų126119.1 Ų119.188%0.88172%0.724SS**THydrogen-bonded Turntrans-70.622.7-171.953.80000114.6P58P58-S60 PolarHBondContact O-N 2.68Å
61S40.2Very low44.9Very low94 Ų94117.4 Ų117.466%0.65771%0.708SS**THydrogen-bonded Turntrans-103.5-15.8-177.4560000114.5P59P59-S61 PolarHBondContact O-N 3.26Å
62L40.9Very low47.4Very low145 Ų145111.7 Ų111.776%0.75969%0.691SS**SBendtrans-85.9-21.3-177.6-113.485.7000114.6K64L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.91Å; L62-K64 VanDerWaalsContact O-N 3.16Å
63A42Very low49.8Very low99 Ų99105.4 Ų105.482%0.81867%0.67SS**THydrogen-bonded Turntrans-83.815.5-169.600000115.4
64K42.5Very low52.4Low206 Ų206107.1 Ų107.190%0.89666%0.662SS**THydrogen-bonded Turntrans-125.4-2.8-173.1-105.2176.5178.6177.80117.9L62L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.91Å; L62-K64 VanDerWaalsContact O-N 3.16Å
65S43.7Very low54.9Low84 Ų84106.5 Ų106.559%0.58765%0.649SS**SBendtrans-100.5-6.4176.3640000114.9L67S65-L67 VanDerWaalsContact C-N 3.32Å; S65-L67 PolarHBondContact O-N 2.77Å
66G43Very low57.4Low55 Ų55106 Ų10657%0.56764%0.641SS**THydrogen-bonded Turntrans-67.9-1.8-152.300000120.2
67L51.3Low60.4Low135 Ų135105.9 Ų105.971%0.70763%0.628SS**THydrogen-bonded Turntrans-153.3-37173.6-75.5175.5000112.4S65 I71S65-L67 VanDerWaalsContact C-N 3.32Å; S65-L67 PolarHBondContact O-N 2.77Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 3Å
68G55.6Low63.3Low53 Ų53101.9 Ų101.955%0.54662%0.615SS.*Hα-helixtrans-70.4-35.2-178.500000113.8A72G68-A72 PolarHBondContact O-N 2.71Å; G68-A72 VanDerWaalsContact O-N 3.13Å
69G62.1Low65.9Low35 Ų35102 Ų10236%0.36161%0.61SS.*Hα-helixtrans-67.9-37.9176.600000112.2A72 T73G69-A72 PolarHBondContact O-N 2.7Å; G69-T73 WeakPolarHBondContact O-CG2 3.18Å; G69-T73 PolarHBondContact O-N 2.76Å; G69-T73 PolarHBondContact O-OG1 3.18Å
70D78.2Confident68.5Low92 Ų92103.1 Ų103.149%0.49260%0.604SS.*Hα-helixtrans-67.7-41.2178.3-64-12.8000111A72 T73 L74D70-A72 VanDerWaalsContact C-N 3.34Å; D70-A72 PolarHBondContact O-N 2.78Å; D70-T73 VanDerWaalsContact CA-OG1 3.29Å; D70-T73 WeakPolarHBondContact CA-OG1 3Å; D70-T73 PolarHBondContact O-N 2.87Å; D70-T73 PolarHBondContact O-OG1 3.08Å; D70-L74 WeakPolarHBondContact O-CB 3.03Å; D70-L74 WeakPolarHBondContact O-CG 3.33Å; D70-L74 PolarHBondContact O-N 2.77Å
71I82.6Confident71.1Confident89 Ų89102.7 Ų102.746%0.45659%0.588SS.*Hα-helixtrans-63.6-41.1174.5-65.1166.1000111.1L67 R75L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 3Å; I71-R75 WeakPolarHBondContact O-CB 3.17Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.3Å; I71-R75 PolarHBondContact O-N 3.27Å
72A82.5Confident73.8Confident59 Ų59103.1 Ų103.149%0.48858%0.58SS.*Hα-helixtrans-66.6-40.9178.900000112.4G68 G69 D70 R75 S76G68-A72 PolarHBondContact O-N 2.71Å; G68-A72 VanDerWaalsContact O-N 3.13Å; G69-A72 PolarHBondContact O-N 2.7Å; D70-A72 VanDerWaalsContact C-N 3.34Å; D70-A72 PolarHBondContact O-N 2.78Å; A72-R75 PolarHBondContact O-N 3.31Å; A72-S76 PolarHBondContact O-N 2.72Å
73T86.6Confident76.3Confident76 Ų76100.6 Ų100.647%0.46657%0.57SS.*Hα-helixtrans-68-42.2176.445.80000111.8G69 D70 R75 S76 Q77G69-T73 WeakPolarHBondContact O-CG2 3.18Å; G69-T73 PolarHBondContact O-N 2.76Å; G69-T73 PolarHBondContact O-OG1 3.18Å; D70-T73 VanDerWaalsContact CA-OG1 3.29Å; D70-T73 WeakPolarHBondContact CA-OG1 3Å; D70-T73 PolarHBondContact O-N 2.87Å; D70-T73 PolarHBondContact O-OG1 3.08Å; T73-R75 VanDerWaalsContact C-N 3.35Å; T73-R75 PolarHBondContact O-N 3.47Å; T73-S76 WeakPolarHBondContact O-CB 3.41Å; T73-S76 PolarHBondContact O-N 2.8Å; T73-Q77 WeakPolarHBondContact O-CG 3.34Å; T73-Q77 PolarHBondContact O-N 2.94Å
74L89.3Confident78.9Confident107 Ų107100 Ų10056%0.5655%0.55SS**Hα-helixtrans-60.9-41.9173.4-72.5171.4000112.1D70 S76 Q77 L78D70-L74 WeakPolarHBondContact O-CB 3.03Å; D70-L74 WeakPolarHBondContact O-CG 3.33Å; D70-L74 PolarHBondContact O-N 2.77Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.31Å; L74-Q77 PolarHBondContact O-N 3.21Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 PolarHBondContact O-N 2.78Å
75R91.8Very high81.3Confident169 Ų16993.3 Ų93.364%0.63852%0.524SS*.Hα-helixtrans-62.5-40.3173.9-76176.3179.7-175.50.3112.3I71 A72 T73 L78 N79I71-R75 WeakPolarHBondContact O-CB 3.17Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.3Å; I71-R75 PolarHBondContact O-N 3.27Å; A72-R75 PolarHBondContact O-N 3.31Å; T73-R75 VanDerWaalsContact C-N 3.35Å; T73-R75 PolarHBondContact O-N 3.47Å; R75-L78 PolarHBondContact O-N 3.06Å; R75-N79 PolarHBondContact O-N 2.78Å
76S89.2Confident83.8Confident78 Ų7892.2 Ų92.255%0.54552%0.516SS..Hα-helixtrans-64.4-43176179.40000111.7A72 T73 L74 N79 K80A72-S76 PolarHBondContact O-N 2.72Å; T73-S76 WeakPolarHBondContact O-CB 3.41Å; T73-S76 PolarHBondContact O-N 2.8Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.31Å; S76-N79 PolarHBondContact O-N 3.15Å; S76-K80 PolarHBondContact O-N 2.04Å
77Q94Very high86.2Confident118 Ų11894.2 Ų94.255%0.55151%0.511SS*.Hα-helixtrans-63.9-42.3175.7-72.51784.500111.9T73 L74 N79 K80 Q81T73-Q77 WeakPolarHBondContact O-CG 3.34Å; T73-Q77 PolarHBondContact O-N 2.94Å; L74-Q77 PolarHBondContact O-N 3.21Å; Q77-N79 PolarHBondContact O-N 3.16Å; Q77-K80 WeakPolarHBondContact O-CB 3.42Å; Q77-K80 PolarHBondContact O-N 3.08Å; Q77-Q81 WeakPolarHBondContact O-CG 3.33Å; Q77-Q81 PolarHBondContact O-N 3.12Å
78L95.3Very high88.4Confident107 Ų10792.4 Ų92.456%0.5650%0.5SS*.Hα-helixtrans-62.4-43.3177-170.5148.8000111.5L74 R75 K80 Q81 Q82L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 PolarHBondContact O-N 2.78Å; R75-L78 PolarHBondContact O-N 3.06Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.05Å; L78-Q81 PolarHBondContact O-N 3.23Å; L78-Q82 WeakPolarHBondContact O-CB 3.44Å; L78-Q82 PolarHBondContact O-N 3.05Å
79N94.1Very high90.3Very high109 Ų10995.6 Ų95.658%0.58350%0.499SS*.Hα-helixtrans-62.2-39.7174.1-80.8-22.4000112.2R75 S76 Q77 Q82 T83R75-N79 PolarHBondContact O-N 2.78Å; S76-N79 PolarHBondContact O-N 3.15Å; Q77-N79 PolarHBondContact O-N 3.16Å; N79-Q82 PolarHBondContact O-N 2.97Å; N79-T83 PolarHBondContact O-N 2.97Å; N79-T83 VanDerWaalsContact O-N 3.09Å
80K93.7Very high91.9Very high130 Ų130100.4 Ų100.457%0.56551%0.506SS*.Hα-helixtrans-62.1-48.5175.7-173.1-174.9177.3-161.70111.3S76 Q77 L78 Q82 T83 E84S76-K80 PolarHBondContact O-N 2.04Å; Q77-K80 WeakPolarHBondContact O-CB 3.42Å; Q77-K80 PolarHBondContact O-N 3.08Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.05Å; K80-Q82 VanDerWaalsContact C-N 3.27Å; K80-Q82 PolarHBondContact O-N 3.01Å; K80-T83 PolarHBondContact O-N 3.36Å; K80-T83 VanDerWaalsContact O-N 3.13Å; K80-T83 PolarHBondContact O-OG1 2.91Å; K80-E84 WeakPolarHBondContact CE-OE1 3.16Å; K80-E84 IonicContact NZ-OE1 3.04Å; K80-E84 PolarHBondContact O-N 2.78Å
81Q95.3Very high92.8Very high117 Ų117100.4 Ų100.455%0.54750%0.504SS..Hα-helixtrans-60.9-38176.3-71.7-176.8-4100111.9Q77 L78 T83 E84 I85Q77-Q81 WeakPolarHBondContact O-CG 3.33Å; Q77-Q81 PolarHBondContact O-N 3.12Å; L78-Q81 PolarHBondContact O-N 3.23Å; Q81-T83 VanDerWaalsContact C-N 3.3Å; Q81-T83 PolarHBondContact O-N 2.95Å; Q81-E84 PolarHBondContact O-N 2.96Å; Q81-I85 WeakPolarHBondContact O-CB 3.41Å; Q81-I85 WeakPolarHBondContact O-CD1 3.31Å; Q81-I85 WeakPolarHBondContact O-CG1 3.25Å; Q81-I85 PolarHBondContact O-N 3.4Å
82Q95.8Very high93.3Very high103 Ų103101.1 Ų101.148%0.48151%0.508SS..Hα-helixtrans-62.4-38.2176.8-17062.623.300112.1L78 N79 K80 S86L78-Q82 WeakPolarHBondContact O-CB 3.44Å; L78-Q82 PolarHBondContact O-N 3.05Å; N79-Q82 PolarHBondContact O-N 2.97Å; K80-Q82 VanDerWaalsContact C-N 3.27Å; K80-Q82 PolarHBondContact O-N 3.01Å; Q82-S86 WeakPolarHBondContact O-CB 3.36Å; Q82-S86 PolarHBondContact O-N 3.23Å; Q82-S86 PolarHBondContact O-OG 3.23Å
83T94.6Very high93.7Very high92 Ų92104.5 Ų104.556%0.56451%0.513SS*.Hα-helixtrans-68.2-42.6175.354.50000112.5N79 K80 Q81 S86 E87N79-T83 PolarHBondContact O-N 2.97Å; N79-T83 VanDerWaalsContact O-N 3.09Å; K80-T83 PolarHBondContact O-N 3.36Å; K80-T83 VanDerWaalsContact O-N 3.13Å; K80-T83 PolarHBondContact O-OG1 2.91Å; Q81-T83 VanDerWaalsContact C-N 3.3Å; Q81-T83 PolarHBondContact O-N 2.95Å; T83-S86 PolarHBondContact O-N 3.31Å; T83-E87 PolarHBondContact O-N 2.96Å
84E95.1Very high94Very high85 Ų85105.4 Ų105.440%0.39752%0.515SS..Hα-helixtrans-63.7-43.7176.8-69.1171-176.400111.3K80 Q81 S86 E87 M88K80-E84 WeakPolarHBondContact CE-OE1 3.16Å; K80-E84 IonicContact NZ-OE1 3.04Å; K80-E84 PolarHBondContact O-N 2.78Å; Q81-E84 PolarHBondContact O-N 2.96Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 3.23Å; E84-E87 PolarHBondContact O-N 3.25Å; E84-M88 WeakPolarHBondContact O-CG 3.42Å; E84-M88 PolarHBondContact O-N 3.07Å
85I94.2Very high93.9Very high67 Ų67105.6 Ų105.634%0.34452%0.517SS..Hα-helixtrans-61.9-41.7175.6-69.2165.5000111.1Q81 E87 M88 K89Q81-I85 WeakPolarHBondContact O-CB 3.41Å; Q81-I85 WeakPolarHBondContact O-CD1 3.31Å; Q81-I85 WeakPolarHBondContact O-CG1 3.25Å; Q81-I85 PolarHBondContact O-N 3.4Å; I85-E87 VanDerWaalsContact C-N 3.33Å; I85-M88 HydrophobicContact CG1-CE 4.08Å; I85-M88 PolarHBondContact O-N 2.9Å; I85-K89 HydrophobicContact CG2-CD 4.31Å; I85-K89 WeakPolarHBondContact O-CB 3.24Å; I85-K89 WeakPolarHBondContact O-CG 3.31Å; I85-K89 PolarHBondContact O-N 3.08Å
86S95Very high93.7Very high61 Ų61102.1 Ų102.143%0.42751%0.514SS..Hα-helixtrans-66.3-37.7179.1-57.60000111.7Q82 T83 E84 R90Q82-S86 WeakPolarHBondContact O-CB 3.36Å; Q82-S86 PolarHBondContact O-N 3.23Å; Q82-S86 PolarHBondContact O-OG 3.23Å; T83-S86 PolarHBondContact O-N 3.31Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 3.23Å; S86-R90 PolarHBondContact O-N 2.92Å; S86-R90 VanDerWaalsContact O-N 3.11Å
87E95.2Very high93.4Very high97 Ų97102.2 Ų102.245%0.45352%0.52SS..Hα-helixtrans-66.6-45.4173.8179.7169.5-146.500112.2T83 E84 I85 K89 R90 M91T83-E87 PolarHBondContact O-N 2.96Å; E84-E87 PolarHBondContact O-N 3.25Å; I85-E87 VanDerWaalsContact C-N 3.33Å; E87-K89 VanDerWaalsContact C-N 3.33Å; E87-K89 PolarHBondContact O-N 3.39Å; E87-R90 WeakPolarHBondContact O-CB 3.45Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 IonicContact OE1-NH2 3.68Å; E87-M91 HydrophobicContact CG-CE 4.27Å; E87-M91 WeakPolarHBondContact O-CG 3.48Å; E87-M91 PolarHBondContact O-N 2.93Å
88M96.4Very high92.9Very high96 Ų96102.4 Ų102.447%0.47353%0.528SS..Hα-helixtrans-59.6-42.9175.7-73.9-171.8-67.300111.9E84 I85 R90 M91 I92E84-M88 WeakPolarHBondContact O-CG 3.42Å; E84-M88 PolarHBondContact O-N 3.07Å; I85-M88 HydrophobicContact CG1-CE 4.08Å; I85-M88 PolarHBondContact O-N 2.9Å; M88-R90 PolarHBondContact O-N 3.5Å; M88-M91 HydrophobicContact CB-CE 4.45Å; M88-M91 HydrophobicContact CG-CE 4.03Å; M88-M91 PolarHBondContact O-N 3.24Å; M88-I92 VanDerWaalsContact O-CG1 3.32Å; M88-I92 WeakPolarHBondContact O-CG1 3.42Å; M88-I92 PolarHBondContact O-N 3.22Å
89K96.1Very high92Very high120 Ų120100.8 Ų100.852%0.52252%0.523SS..Hα-helixtrans-58.2-47.6174.7-76.8179.6177.9-172.50111.8I85 E87 M91 I92 E93I85-K89 HydrophobicContact CG2-CD 4.31Å; I85-K89 WeakPolarHBondContact O-CB 3.24Å; I85-K89 WeakPolarHBondContact O-CG 3.31Å; I85-K89 PolarHBondContact O-N 3.08Å; E87-K89 VanDerWaalsContact C-N 3.33Å; E87-K89 PolarHBondContact O-N 3.39Å; K89-M91 VanDerWaalsContact C-N 3.32Å; K89-M91 PolarHBondContact O-N 3.26Å; K89-I92 PolarHBondContact O-N 2.83Å; K89-E93 WeakPolarHBondContact O-CG 3.43Å; K89-E93 PolarHBondContact O-N 3.38Å
90R95.7Very high90.8Very high137 Ų13796.8 Ų96.852%0.51751%0.507SS..Hα-helixtrans-59.7-41.2176.3-175.9-172.465.2177-2.7112.1S86 E87 M88 E93 N94S86-R90 PolarHBondContact O-N 2.92Å; S86-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 WeakPolarHBondContact O-CB 3.45Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 IonicContact OE1-NH2 3.68Å; M88-R90 PolarHBondContact O-N 3.5Å; R90-E93 PolarHBondContact O-N 3.46Å; R90-N94 WeakPolarHBondContact O-CB 3.29Å; R90-N94 VanDerWaalsContact O-CG 3.22Å; R90-N94 PolarHBondContact O-N 3.25Å; R90-N94 PolarHBondContact O-ND2 3.35Å
91M96Very high89.4Confident92 Ų9296.9 Ų96.945%0.45352%0.521SS..Hα-helixtrans-63.8-42.6176.3-71.7-170.5-6700111.8E87 M88 K89 N94 L95E87-M91 HydrophobicContact CG-CE 4.27Å; E87-M91 WeakPolarHBondContact O-CG 3.48Å; E87-M91 PolarHBondContact O-N 2.93Å; M88-M91 HydrophobicContact CB-CE 4.45Å; M88-M91 HydrophobicContact CG-CE 4.03Å; M88-M91 PolarHBondContact O-N 3.24Å; K89-M91 VanDerWaalsContact C-N 3.32Å; K89-M91 PolarHBondContact O-N 3.26Å; M91-N94 PolarHBondContact O-N 3.02Å; M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.46Å; M91-L95 PolarHBondContact O-N 2.73Å
92I94.5Very high87.6Confident104 Ų10495.1 Ų95.153%0.53353%0.527SS..Hα-helixtrans-64.3-45.6176.8-67.4165.4000110.6M88 K89 N94 L95 V96M88-I92 VanDerWaalsContact O-CG1 3.32Å; M88-I92 WeakPolarHBondContact O-CG1 3.42Å; M88-I92 PolarHBondContact O-N 3.22Å; K89-I92 PolarHBondContact O-N 2.83Å; I92-N94 VanDerWaalsContact C-N 3.3Å; I92-N94 PolarHBondContact O-N 2.93Å; I92-L95 PolarHBondContact O-N 3.42Å; I92-L95 VanDerWaalsContact O-N 3.13Å; I92-V96 HydrophobicContact CG2-CG2 4.23Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.36Å; I92-V96 PolarHBondContact O-N 3.36Å
93E90.7Very high85.5Confident129 Ų12997.6 Ų97.660%0.60354%0.536SS*.Hα-helixtrans-58.2-42.9176.4-74.1169-174.900111.7K89 R90 V96 A97K89-E93 WeakPolarHBondContact O-CG 3.43Å; K89-E93 PolarHBondContact O-N 3.38Å; R90-E93 PolarHBondContact O-N 3.46Å; E93-V96 PolarHBondContact O-N 2.92Å; E93-A97 WeakPolarHBondContact O-CB 3.44Å; E93-A97 PolarHBondContact O-N 3.32Å
94N91.4Very high83.4Confident95 Ų9598.6 Ų98.651%0.50854%0.541SS..Hα-helixtrans-62.9-42.8174.5-72.3-18.6000112R90 M91 I92 A97 V98R90-N94 WeakPolarHBondContact O-CB 3.29Å; R90-N94 VanDerWaalsContact O-CG 3.22Å; R90-N94 PolarHBondContact O-N 3.25Å; R90-N94 PolarHBondContact O-ND2 3.35Å; M91-N94 PolarHBondContact O-N 3.02Å; I92-N94 VanDerWaalsContact C-N 3.3Å; I92-N94 PolarHBondContact O-N 2.93Å; N94-A97 PolarHBondContact O-N 3.29Å; N94-V98 VanDerWaalsContact O-CG2 3.24Å; N94-V98 WeakPolarHBondContact O-CG2 3.4Å; N94-V98 PolarHBondContact O-N 3.29Å
95L87.4Confident81.2Confident112 Ų11298.3 Ų98.359%0.58655%0.553SS**Hα-helixtrans-64.5-42.7176.9-72.6170.3000111.5M91 I92 A97 V98 V99M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.46Å; M91-L95 PolarHBondContact O-N 2.73Å; I92-L95 PolarHBondContact O-N 3.42Å; I92-L95 VanDerWaalsContact O-N 3.13Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.91Å; L95-V98 PolarHBondContact O-N 3.47Å; L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 VanDerWaalsContact O-CG2 3.25Å; L95-V99 WeakPolarHBondContact O-CG2 3.32Å; L95-V99 PolarHBondContact O-N 2.92Å
96V88.8Confident78.9Confident96 Ų96102.3 Ų102.358%0.58258%0.575SS**Hα-helixtrans-62.6-40.8175.8171.60000110.6I92 E93 V98 G100I92-V96 HydrophobicContact CG2-CG2 4.23Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.36Å; I92-V96 PolarHBondContact O-N 3.36Å; E93-V96 PolarHBondContact O-N 2.92Å; V96-V98 VanDerWaalsContact C-N 3.34Å; V96-V98 PolarHBondContact O-N 2.82Å; V96-G100 WeakPolarHBondContact O-CA 3.47Å; V96-G100 PolarHBondContact O-N 3.22Å
97A82.3Confident76.4Confident80 Ų80104.6 Ų104.666%0.66159%0.59SS**Hα-helixtrans-64.5-36.7175.400000112.7E93 N94 L95E93-A97 WeakPolarHBondContact O-CB 3.44Å; E93-A97 PolarHBondContact O-N 3.32Å; N94-A97 PolarHBondContact O-N 3.29Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.91Å
98V83.1Confident73.6Confident121 Ų121110.3 Ų110.373%0.73361%0.609SS**Hα-helixtrans-74.9-43.3178.3170.70000112.1N94 L95 V96 G100N94-V98 VanDerWaalsContact O-CG2 3.24Å; N94-V98 WeakPolarHBondContact O-CG2 3.4Å; N94-V98 PolarHBondContact O-N 3.29Å; L95-V98 PolarHBondContact O-N 3.47Å; V96-V98 VanDerWaalsContact C-N 3.34Å; V96-V98 PolarHBondContact O-N 2.82Å; V98-G100 VanDerWaalsContact C-N 3.33Å
99V75.9Confident70.7Confident74 Ų74113.2 Ų113.245%0.44862%0.622SS.*Hα-helixtrans-70.2-36.4-179.8174.90000110.1L95 V104L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 VanDerWaalsContact O-CG2 3.25Å; L95-V99 WeakPolarHBondContact O-CG2 3.32Å; L95-V99 PolarHBondContact O-N 2.92Å; V99-V104 HydrophobicContact CG1-CG2 4.49Å
100G69.7Low67.8Low24 Ų24115.3 Ų115.325%0.24763%0.631CS.*THydrogen-bonded Turntrans62.5165-176.500000112.5V96 V98 A102V96-G100 WeakPolarHBondContact O-CA 3.47Å; V96-G100 PolarHBondContact O-N 3.22Å; V98-G100 VanDerWaalsContact C-N 3.33Å; G100-A102 PolarHBondContact O-N 3.39Å
101P64.8Low64.9Low133 Ų133117 Ų11786%0.86465%0.65SS**G310 helixtrans-66.9-16.6175.625.6-32.5000113.1
102A56.2Low61.7Low80 Ų80115.9 Ų115.966%0.66166%0.662SS**G310 helixtrans-81.1-20.2-166.200000115.3G100G100-A102 PolarHBondContact O-N 3.39Å
103K51.8Low58.7Low155 Ų155116.2 Ų116.267%0.67467%0.669SS**G310 helixtrans-93.7-3.5-171.4-77.5-173175.5-179.50116
104V51.8Low55.7Low112 Ų112116.2 Ų116.268%0.67968%0.68SS**SBendtrans-97.8-15.1-176.6-164.60000112.4V99V99-V104 HydrophobicContact CG1-CG2 4.49Å
105A48.5Very low52.9Low79 Ų79119 Ų11965%0.65369%0.694SS**G310 helixtrans-78.5-20.8-173.600000115.1
106D46.4Very low50Low151 Ų151118.7 Ų118.781%0.80770%0.702SS**G310 helixtrans-92.11.1-168-78.3-24.2000116.1
107C42.6Very low47.2Very low109 Ų109119.7 Ų119.774%0.73671%0.708SS**G310 helixtrans-98.10.4-177-710000115.6
108Y36.1Very low44.8Very low218 Ų218122.1 Ų122.186%0.85572%0.717SS**  trans-131.659.3-177.7-76.6-85.5000112.8
109E35.3Very low42.4Very low157 Ų157124.4 Ų124.473%0.73472%0.72SS**  trans-137.8122.5153.8-84.9-144.4144.900112.7
110K35.1Very low40.2Very low164 Ų164129.7 Ų129.771%0.71374%0.74SS**  trans7593.1149.5-67.6171.8-176.7126.90118.1G112K110-G112 PolarHBondContact O-N 2.8Å
111N35.1Very low38.6Very low172 Ų172135.5 Ų135.592%0.9276%0.764SS**  -25.7119.1127.4-62.2-32.3000112
112G28.3Very low37Very low68 Ų68135.3 Ų135.370%0.70176%0.756SS**  trans134.278.716500000113.9K110K110-G112 PolarHBondContact O-N 2.8Å
113T30.6Very low36.4Very low111 Ų111136.1 Ų136.168%0.68175%0.753SS**  149.7115.4129.3-55.40000108.5L115T113-L115 HydrophobicContact CG2-CD1 3.58Å; T113-L115 PolarHBondContact O-N 2.69Å
114P29Very low35.8Very low129 Ų129136.6 Ų136.684%0.83875%0.754SS**  trans-75.989.4173.130.4-29.4000108.4
115L31.4Very low35.2Very low154 Ų154140.5 Ų140.581%0.80676%0.763SS**  trans-95111.8170.2-120.191.7000110.2T113 T117T113-L115 HydrophobicContact CG2-CD1 3.58Å; T113-L115 PolarHBondContact O-N 2.69Å; L115-T117 PolarHBondContact O-N 3.02Å
116S26.8Very low35Very low106 Ų106142.3 Ų142.374%0.74176%0.76SS**  trans-46.8117.1164.6-48.90000112.5
117T30.1Very low34.9Very low117 Ų117142.2 Ų142.272%0.71876%0.76SS**  178.8138.9120.117.60000107.8L115 Q119L115-T117 PolarHBondContact O-N 3.02Å; T117-Q119 PolarHBondContact O-N 3.41Å
118P32.7Very low35.1Very low131 Ų131145.6 Ų145.685%0.85176%0.762SS**  trans-69.887.2171.229.4-29.7000106.9E120P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 PolarHBondContact O-N 3.34Å
119Q32.9Very low35.5Very low169 Ų169137.5 Ų137.579%0.7975%0.745SS**  trans-61.4105.7159-92.2-178.70.200105.4T117 L121T117-Q119 PolarHBondContact O-N 3.41Å; Q119-L121 PolarHBondContact O-N 3.15Å
120E29.1Very low35.9Very low185 Ų185131.5 Ų131.586%0.86472%0.72SS**  trans-3788.7153.6-169.8173.1-174.400107.3P118 D122P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 PolarHBondContact O-N 3.34Å; E120-D122 PolarHBondContact O-N 3.16Å
121L35.3Very low36.6Very low145 Ų145132.6 Ų132.676%0.75973%0.727SS**  trans-60.9103.8169.4-92.1156.5000103Q119 V123Q119-L121 PolarHBondContact O-N 3.15Å; L121-V123 HydrophobicContact CB-CG2 4.13Å; L121-V123 WeakPolarHBondContact O-CG2 3.37Å; L121-V123 PolarHBondContact O-N 3.25Å
122D32.9Very low37.1Very low129 Ų129127.5 Ų127.569%0.6970%0.703SS**  trans-55.978.7155.9-17926.6000105.2E120 K124E120-D122 PolarHBondContact O-N 3.16Å; D122-K124 PolarHBondContact O-N 2.8Å
123V41.8Very low38.2Very low98 Ų98131.7 Ų131.759%0.59470%0.704SS**  trans-65.484.5167.4-177.70000102L121 F125L121-V123 HydrophobicContact CB-CG2 4.13Å; L121-V123 WeakPolarHBondContact O-CG2 3.37Å; L121-V123 PolarHBondContact O-N 3.25Å; V123-F125 WeakPolarHBondContact O-CD2 3.26Å; V123-F125 PolarHBondContact O-N 2.88Å
124K39.5Very low39.3Very low164 Ų164129.8 Ų129.871%0.71370%0.695SS**  trans-46.8100.1157.1-83.9-180177.11740103.6D122 I126D122-K124 PolarHBondContact O-N 2.8Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.91Å
125F40Very low40.6Very low194 Ų194126.3 Ų126.385%0.85168%0.677SS**  trans-48.8107.4175.1-85.5-98.5000104V123 D127V123-F125 WeakPolarHBondContact O-CD2 3.26Å; V123-F125 PolarHBondContact O-N 2.88Å; F125-D127 PolarHBondContact O-N 3.46Å
126I43.7Very low41.6Very low118 Ų118119 Ų11961%0.60564%0.639SS**  trans-64.197.1172.4-64.5172.5000101.7K124 F128K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.91Å; I126-F128 HydrophobicContact CB-CE2 4.31Å; I126-F128 HydrophobicContact CG2-CD2 4.5Å; I126-F128 HydrophobicContact CG2-CE1 4.48Å; I126-F128 HydrophobicContact CG2-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CZ 4.2Å; I126-F128 WeakPolarHBondContact O-CD2 3.38Å; I126-F128 PolarHBondContact O-N 3.38Å
127D45.5Very low43.2Very low148 Ų148119.4 Ų119.479%0.79164%0.639SS**  trans-66.893.8-176.6-160.24.6000104.5F125 G129F125-D127 PolarHBondContact O-N 3.46Å; D127-G129 PolarHBondContact O-N 2.82Å
128F45.4Very low44.4Very low181 Ų181122.1 Ų122.179%0.79464%0.643SS**  trans-67.774.2169-70.4-81.6000105.7I126 C130I126-F128 HydrophobicContact CB-CE2 4.31Å; I126-F128 HydrophobicContact CG2-CD2 4.5Å; I126-F128 HydrophobicContact CG2-CE1 4.48Å; I126-F128 HydrophobicContact CG2-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CZ 4.2Å; I126-F128 WeakPolarHBondContact O-CD2 3.38Å; I126-F128 PolarHBondContact O-N 3.38Å; F128-C130 PolarHBondContact O-N 3.47Å; F128-C130 VanDerWaalsContact O-N 3.16Å
129G44.6Very low46.1Very low47 Ų47119.3 Ų119.349%0.48563%0.626SS.*  trans-54.3124.5178.900000107.8D127 Q131D127-G129 PolarHBondContact O-N 2.82Å; G129-Q131 PolarHBondContact O-N 3.22Å
130C44.6Very low46.9Very low32 Ų32114.1 Ų114.122%0.21662%0.618CS.*  trans-56.1112.1179.1-610000109F128 V132 C136F128-C130 PolarHBondContact O-N 3.47Å; F128-C130 VanDerWaalsContact O-N 3.16Å; C130-V132 HydrophobicContact CB-CG2 4.44Å; C130-V132 PolarHBondContact O-N 2.9Å; C130-C136 HydrophobicContact CB-CB 3.36Å; C130-C136 WeakPolarHBondContact CB-SG 3.3Å; C130-C136 WeakPolarHBondContact SG-CB 3.32Å; C130-C136 CovalentContact SG-SG 2.04Å; C130-C136 PolarHBondContact SG-SG 2.88Å
131Q49.5Very low48.2Very low186 Ų186114.5 Ų114.587%0.86961%0.612SS**  trans-76.533.4-177.5-71-175.1-11.400113.1G129G129-Q131 PolarHBondContact O-N 3.22Å
132V45.1Very low48.9Very low66 Ų66118 Ų11840%0.461%0.614SS.*  trans-121.3127.9-179.7-124.20000108.8C130 S134C130-V132 HydrophobicContact CB-CG2 4.44Å; C130-V132 PolarHBondContact O-N 2.9Å; V132-S134 WeakPolarHBondContact CG1-OG 3.39Å; V132-S134 PolarHBondContact O-N 3.48Å
133E51.2Low49.6Very low155 Ų155113.6 Ų113.672%0.72459%0.594SS**SBendtrans-65.5-21.6172.5-72.3178.5169.600112L145E133-L145 HydrophobicContact CG-CD1 3.61Å
134S53.6Low49.8Very low71 Ų71117.5 Ų117.550%0.49761%0.605SS.*SBendtrans-73.8154.2169.455.20000110.8V132 C136V132-S134 WeakPolarHBondContact CG1-OG 3.39Å; V132-S134 PolarHBondContact O-N 3.48Å; S134-C136 PolarHBondContact O-N 2.95Å
135A55.9Low49.8Very low56 Ų56114.6 Ų114.646%0.46360%0.597SS.*PPolyproline II helixtrans-51.4119173.300000108.9
136C53.2Low49.7Very low2 Ų2112.9 Ų112.91%0.01460%0.597CS.*PPolyproline II helixtrans-59.5125.4-173.7179.30000109.2C130 S134 H138 C139 G140 R141C130-C136 HydrophobicContact CB-CB 3.36Å; C130-C136 WeakPolarHBondContact CB-SG 3.3Å; C130-C136 WeakPolarHBondContact SG-CB 3.32Å; C130-C136 CovalentContact SG-SG 2.04Å; C130-C136 PolarHBondContact SG-SG 2.88Å; S134-C136 PolarHBondContact O-N 2.95Å; C136-H138 PolarHBondContact O-N 3.33Å; C136-C139 PolarHBondContact O-N 3.25Å; C136-G140 WeakPolarHBondContact O-CA 3.37Å; C136-G140 PolarHBondContact O-N 2.75Å; C136-R141 PolarHBondContact N-O 2.92Å
137P59.7Low49.2Very low113 Ų113110.4 Ų110.473%0.73460%0.6SS**THydrogen-bonded Turntrans-62.5-18.6-178.722.9-31.7000112.7
138H57Low48.5Very low174 Ų174112.9 Ų112.981%0.80660%0.604SS**THydrogen-bonded Turntrans-82.7-30.8178-64.5-80000114.3C136C136-H138 PolarHBondContact O-N 3.33Å
139C67.9Low48Very low73 Ų73112.6 Ų112.649%0.49361%0.61SS.*THydrogen-bonded Turntrans-134-0.8-17463.90000115.1C136 R141C136-C139 PolarHBondContact O-N 3.25Å; C139-R141 PolarHBondContact O-N 2.91Å
140G49.1Very low47.4Very low60 Ų60114.8 Ų114.862%0.61962%0.618SS**  trans64.60.8175.400000115.2C136C136-G140 WeakPolarHBondContact O-CA 3.37Å; C136-G140 PolarHBondContact O-N 2.75Å
141R57.6Low46.6Very low193 Ų193118.7 Ų118.773%0.72865%0.646SS**  trans-83.3138.9179.8-65.8-171.1-176.5-165.22.2110C136 C139 C143C136-R141 PolarHBondContact N-O 2.92Å; C139-R141 PolarHBondContact O-N 2.91Å; R141-C143 PolarHBondContact O-N 3.47Å
142R49.1Very low45.7Very low217 Ų217115.1 Ų115.182%0.81964%0.641SS**  trans-78105.8172.5-145.4178.5-170.2-174.72.6107.3Q144R142-Q144 PolarHBondContact O-N 3.28Å
143C48.5Very low44.8Very low37 Ų37119.1 Ų119.125%0.2566%0.66CS.*  trans-73.3112.6-178.4-67.60000109.2R141 L145R141-C143 PolarHBondContact O-N 3.47Å; C143-L145 PolarHBondContact O-N 2.88Å
144Q44.3Very low43.6Very low180 Ų180122.3 Ų122.384%0.84167%0.666SS**  trans-79.599.3170.2-66.7-170.832.200108.1R142 N146R142-Q144 PolarHBondContact O-N 3.28Å; Q144-N146 PolarHBondContact O-N 3.38Å
145L41.3Very low42.3Very low104 Ų104125.5 Ų125.555%0.54568%0.682SS.*  trans-7364.9167.9-73.1172000109.5E133 C143E133-L145 HydrophobicContact CG-CD1 3.61Å; C143-L145 PolarHBondContact O-N 2.88Å
146N37Very low40.9Very low157 Ų157129.9 Ų129.984%0.8470%0.696SS**  trans-158.688.6170.1-92.1-28.6000109.3Q144Q144-N146 PolarHBondContact O-N 3.38Å
147G33.1Very low39.8Very low66 Ų66134 Ų13468%0.6873%0.731SS**  trans-15975.8177.100000109.9L149G147-L149 PolarHBondContact O-N 2.95Å; G147-L149 VanDerWaalsContact O-N 3.08Å
148K31.8Very low38.1Very low200 Ų200137.1 Ų137.187%0.8774%0.736SS**  trans-46.2117.4155.9-87174.7172.2179.30107S150K148-S150 PolarHBondContact O-N 3.49Å
149L34.3Very low36.7Very low175 Ų175137.6 Ų137.692%0.91674%0.738SS**  trans-64.779.8166.1-70.7161.5000107.4G147 S151G147-L149 PolarHBondContact O-N 2.95Å; G147-L149 VanDerWaalsContact O-N 3.08Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.03Å; L149-S151 VanDerWaalsContact O-N 3.15Å
150S31.3Very low34.7Very low94 Ų94140 Ų14066%0.65774%0.742SS**  trans-71.899.4158.4-74.50000106.1K148 S152K148-S150 PolarHBondContact O-N 3.49Å; S150-S152 PolarHBondContact O-N 3.37Å
151S27.5Very low33.7Very low114 Ų114143.5 Ų143.580%0.79775%0.754SS**  trans-53.790156.235.50000108.5L149 D153L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.03Å; L149-S151 VanDerWaalsContact O-N 3.15Å; S151-D153 PolarHBondContact O-N 3.08Å
152S32.2Very low32.4Very low111 Ų111140.4 Ų140.478%0.77675%0.746SS**  trans-85.2106.6166.6-76.60000107.6S150S150-S152 PolarHBondContact O-N 3.37Å
153D26Very low31.5Very low150 Ų150139.9 Ų139.980%0.80274%0.744SS**  trans-40.3133.6166.3-82.2-55.7000112.3S151 T155S151-D153 PolarHBondContact O-N 3.08Å; D153-T155 PolarHBondContact O-N 3.34Å
154R25.9Very low30.4Very low222 Ų222146.3 Ų146.384%0.83877%0.77SS**  trans-52.4116.6157.5-78.8166.3145.5175.6-7.3109.3
155T26.1Very low29.8Very low137 Ų137145.5 Ų145.584%0.8477%0.772SS**  trans-125.692.8147.718.10000107.6D153 A157D153-T155 PolarHBondContact O-N 3.34Å; T155-A157 PolarHBondContact O-N 2.89Å
156I26.5Very low28.9Very low148 Ų148147.6 Ų147.676%0.75978%0.784SS**  trans-78.198.5164.3-60.5166.6000104.2
157A28.7Very low28.6Very low90 Ų90145.1 Ų145.174%0.74478%0.778SS**  trans-114.3109.7166.700000107.3T155T155-A157 PolarHBondContact O-N 2.89Å
158E25.2Very low28.1Very low178 Ų178147 Ų14783%0.83278%0.782SS**  trans-56.6134.7166.4-56.9-179.2116.900110
159E26.5Very low28.1Very low184 Ų184143.2 Ų143.286%0.8678%0.775SS**  177144.8128.4-106.7-170.7112.300112.7
160E26.4Very low27.5Very low123 Ų123142.3 Ų142.358%0.57577%0.765SS**  trans71.193166-71.1-132.3119.400120.2K162E160-K162 WeakPolarHBondContact OE1-CE 3.47Å; E160-K162 IonicContact OE1-NZ 2.71Å; E160-K162 PolarHBondContact OE1-NZ 3.25Å; E160-K162 IonicContact OE2-NZ 3.52Å
161P28.8Very low27.4Very low134 Ų134145.2 Ų145.287%0.8777%0.773SS**  trans-81.7115.2146.531.8-25000109.4
162K29Very low27.2Very low128 Ų128144.2 Ų144.256%0.55777%0.766SS**  trans-140.6115.7176.2-135.5175.4-161.1146.10111.9E160E160-K162 WeakPolarHBondContact OE1-CE 3.47Å; E160-K162 IonicContact OE1-NZ 2.71Å; E160-K162 PolarHBondContact OE1-NZ 3.25Å; E160-K162 IonicContact OE2-NZ 3.52Å
163R30.6Very low26.9Very low206 Ų206144 Ų14478%0.77776%0.764SS**  trans71.8106.1158.5-64.7173.5-174.2168.70.8116
164E25.5Very low27.2Very low171 Ų171142.3 Ų142.380%0.79976%0.759SS**  54.994.488.7-74.2-174.9156.400111.9
165N31.6Very low27Very low163 Ų163135.7 Ų135.787%0.87276%0.76SS**  trans-144.798.1139.5-98.1-38.9000107.6S167N165-S167 PolarHBondContact O-N 3.23Å
166D24Very low27.2Very low149 Ų149134.2 Ų134.280%0.79775%0.751SS**  trans-52120.6162.2-75.6-51.6000109.8
167S30.2Very low27.3Very low104 Ų104136.6 Ų136.673%0.72776%0.759SS**  trans-142.371.8159.8-67.30000107.6N165 V169N165-S167 PolarHBondContact O-N 3.23Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.12Å
168S23Very low27.5Very low107 Ų107141.4 Ų141.475%0.74876%0.763SS**  trans-57.495.5160.1152.60000108.8
169V31.5Very low27.7Very low119 Ų119137.1 Ų137.172%0.72176%0.758SS**  trans-100.493.8162.2-179.20000107.7S167 L171S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.12Å; V169-L171 HydrophobicContact CG1-CD1 3.68Å; V169-L171 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact O-N 3.17Å
170H22.1Very low28.2Very low157 Ų157133 Ų13373%0.72776%0.755SS**  trans-69.496.6173.9-157.6-76.7000108.7S172H170-S172 PolarHBondContact CE1-OG 3.18Å; H170-S172 PolarHBondContact ND1-OG 3.13Å
171L28.5Very low28.5Very low154 Ų154135.9 Ų135.981%0.80677%0.769SS**  trans-113.196.4160.2-97.7102.3000110.1V169V169-L171 HydrophobicContact CG1-CD1 3.68Å; V169-L171 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact O-N 3.17Å
172S22.5Very low28.8Very low94 Ų94138.1 Ų138.166%0.65777%0.767SS**  trans-64.3122.1159.6-49.60000109.3H170H170-S172 PolarHBondContact CE1-OG 3.18Å; H170-S172 PolarHBondContact ND1-OG 3.13Å
173S27.3Very low29.1Very low106 Ų106141 Ų14174%0.74178%0.78SS**  trans-168.4111152.8-159.90000111.8
174V30.4Very low29.5Very low114 Ų114136 Ų13669%0.69177%0.774SS**  trans7087.6141.6-174.50000116.3V176V174-V176 HydrophobicContact CG1-CB 4.45Å; V174-V176 HydrophobicContact CG1-CG2 3.49Å; V174-V176 VanDerWaalsContact CG1-CG2 3.49Å; V174-V176 PolarHBondContact O-N 2.94Å; V174-V176 VanDerWaalsContact O-N 3.09Å
175G23.7Very low30.3Very low84 Ų84132.7 Ų132.787%0.86677%0.767SS**  trans-63.6100.3151.500000109.9
176V29.4Very low30.9Very low106 Ų106130.3 Ų130.364%0.64276%0.764SS**  trans-105.4100.2158.6169.50000106.4V174 K178V174-V176 HydrophobicContact CG1-CB 4.45Å; V174-V176 HydrophobicContact CG1-CG2 3.49Å; V174-V176 VanDerWaalsContact CG1-CG2 3.49Å; V174-V176 PolarHBondContact O-N 2.94Å; V174-V176 VanDerWaalsContact O-N 3.09Å; V176-K178 HydrophobicContact CG1-CB 4.37Å; V176-K178 PolarHBondContact O-N 3.39Å
177Q29.4Very low32.1Very low198 Ų198128.2 Ų128.293%0.92576%0.76SS**  trans-57.783.6163-66.9174.1-22.300108.5A179Q177-A179 PolarHBondContact O-N 3.22Å
178K31.4Very low32.8Very low191 Ų191131.8 Ų131.883%0.8376%0.763SS**  trans-93.2100.3167.4-148.6170.3-174.7177.10106.7V176 A180V176-K178 HydrophobicContact CG1-CB 4.37Å; V176-K178 PolarHBondContact O-N 3.39Å; K178-A180 PolarHBondContact O-N 2.86Å
179A30.7Very low34.5Very low88 Ų88131.9 Ų131.973%0.72776%0.762SS**  trans-23.8122.7173.800000112.1Q177 Q181Q177-A179 PolarHBondContact O-N 3.22Å; A179-Q181 PolarHBondContact O-N 2.94Å
180A36.7Very low35.7Very low96 Ų96132.2 Ų132.279%0.79377%0.765SS**  trans-54.994.7162.800000106.9K178 E182K178-A180 PolarHBondContact O-N 2.86Å; A180-E182 PolarHBondContact O-N 2.99Å
181Q32.3Very low37.9Very low185 Ų185127 Ų12786%0.86474%0.743SS**  trans-64.596.4166.8-158.8176.438.200103.8A179 K183A179-Q181 PolarHBondContact O-N 2.94Å; Q181-K183 VanDerWaalsContact C-N 3.34Å; Q181-K183 PolarHBondContact O-N 3.48Å
182E34.5Very low40.1Very low180 Ų180122 Ų12284%0.84172%0.722SS**  trans-48.5105.7172.2-77.2-173.9142.900106.6A180 P184A180-E182 PolarHBondContact O-N 2.99Å; E182-P184 WeakPolarHBondContact O-CD 3.48Å
183K37Very low42.9Very low190 Ų190123.8 Ų123.883%0.82672%0.719SS**  trans-65.2110177.1-155.1174.4-172.1-179.50104.1Q181Q181-K183 VanDerWaalsContact C-N 3.34Å; Q181-K183 PolarHBondContact O-N 3.48Å
184P37.3Very low45.4Very low100 Ų100123.3 Ų123.365%0.64971%0.712SS**  trans-57.7141.4-179.623.7-32.1000107.8E182 S186E182-P184 WeakPolarHBondContact O-CD 3.48Å; P184-S186 PolarHBondContact O-N 3.39Å
185P42.8Very low48Very low101 Ų101122.5 Ų122.566%0.65670%0.701SS**  trans-53.5107.7-177.720.3-31.7000109S187P185-S187 PolarHBondContact O-N 3.47Å
186S44.2Very low50.9Low114 Ų114124.2 Ų124.280%0.79768%0.684SS**SBendtrans-80.861.6-172.367.70000110P184P184-S186 PolarHBondContact O-N 3.39Å
187S49.7Very low53.7Low104 Ų104124.4 Ų124.473%0.72768%0.678SS**  trans-161.241.7171.560.20000111.2P185 C189P185-S187 PolarHBondContact O-N 3.47Å; S187-C189 PolarHBondContact O-N 3.21Å
188F45.5Very low56.6Low180 Ų180121 Ų12179%0.78966%0.661SS**  trans-64.4101.3150.2-85.4-86.2000105.9V190F188-V190 HydrophobicContact CB-CG2 4.49Å; F188-V190 PolarHBondContact O-N 2.8Å
189C57.6Low59.4Low108 Ų108115 Ų11573%0.7364%0.64SS**  trans-60.191.9164.5-169.90000105.4S187 V191S187-C189 PolarHBondContact O-N 3.21Å; C189-V191 PolarHBondContact O-N 2.9Å
190V57.9Low62.3Low127 Ų127115 Ų11577%0.7763%0.628SS**  trans-71.682172.5-178.70000104.6F188 S192F188-V190 HydrophobicContact CB-CG2 4.49Å; F188-V190 PolarHBondContact O-N 2.8Å; V190-S192 PolarHBondContact O-N 2.95Å; V190-S192 VanDerWaalsContact O-N 3.08Å
191V66.9Low64.9Low46 Ų46115.6 Ų115.628%0.27961%0.614SS.*  trans-54119.5170.4-177.10000105.6C189 E195 K196C189-V191 PolarHBondContact O-N 2.9Å; V191-E195 HydrophobicContact CG1-CB 3.81Å; V191-E195 HydrophobicContact CG1-CG 3.72Å; V191-K196 HydrophobicContact CB-CG 4.04Å; V191-K196 HydrophobicContact CG1-CG 3.55Å
192S76.1Confident67.9Low50 Ų50111.9 Ų111.935%0.3560%0.598SS.*  trans-56.7145.6-178.565.60000109.3V190 T194 E195 K196V190-S192 PolarHBondContact O-N 2.95Å; V190-S192 VanDerWaalsContact O-N 3.08Å; S192-T194 PolarHBondContact O-N 3.04Å; S192-T194 VanDerWaalsContact O-N 3.12Å; S192-T194 PolarHBondContact OG-OG1 3.04Å; S192-T194 VanDerWaalsContact OG-OG1 3.05Å; S192-E195 PolarHBondContact O-N 3.45Å; S192-E195 WeakPolarHBondContact OG-CB 3.38Å; S192-E195 PolarHBondContact OG-N 3.39Å; S192-K196 PolarHBondContact O-N 3.35Å
193Q80.1Confident70.6Confident131 Ų131106.8 Ų106.861%0.61258%0.576SS**Hα-helixtrans-55.4-33.8179.5-177.563.11000111.8Q197Q193-Q197 WeakPolarHBondContact O-CG 3.48Å; Q193-Q197 PolarHBondContact O-N 2.93Å; Q193-Q197 VanDerWaalsContact O-N 3.08Å
194T80.1Confident73Confident96 Ų96103 Ų10359%0.58956%0.559SS**Hα-helixtrans-67-37.7175.944.80000113S192 Q197 F198S192-T194 PolarHBondContact O-N 3.04Å; S192-T194 VanDerWaalsContact O-N 3.12Å; S192-T194 PolarHBondContact OG-OG1 3.04Å; S192-T194 VanDerWaalsContact OG-OG1 3.05Å; T194-Q197 PolarHBondContact O-N 3.46Å; T194-F198 WeakPolarHBondContact O-CB 3.36Å; T194-F198 PolarHBondContact O-N 3.39Å
195E84.8Confident75.3Confident97 Ų97101 Ų10145%0.45355%0.552SS.*Hα-helixtrans-71.8-40.1177.7-177.8178.1-17100111.3V191 S192 Q197 F198 V199V191-E195 HydrophobicContact CG1-CB 3.81Å; V191-E195 HydrophobicContact CG1-CG 3.72Å; S192-E195 PolarHBondContact O-N 3.45Å; S192-E195 WeakPolarHBondContact OG-CB 3.38Å; S192-E195 PolarHBondContact OG-N 3.39Å; E195-Q197 VanDerWaalsContact C-N 3.28Å; E195-Q197 PolarHBondContact O-N 3.28Å; E195-F198 PolarHBondContact O-N 3.11Å; E195-V199 WeakPolarHBondContact O-CG2 3.35Å; E195-V199 PolarHBondContact O-N 3.23Å
196K84.2Confident77.3Confident120 Ų12098.6 Ų98.652%0.52254%0.54SS..Hα-helixtrans-59-41.8171.3-65.7-173-176.9179.80111.8V191 S192 N200V191-K196 HydrophobicContact CB-CG 4.04Å; V191-K196 HydrophobicContact CG1-CG 3.55Å; S192-K196 PolarHBondContact O-N 3.35Å; K196-N200 WeakPolarHBondContact O-CB 3.41Å; K196-N200 PolarHBondContact O-N 3.4Å; K196-N200 VanDerWaalsContact O-N 3.07Å
197Q88.3Confident79.2Confident110 Ų110101 Ų10151%0.51453%0.532SS..Hα-helixtrans-64.4-45.6175.9-76.4173.9-11.400111.7Q193 T194 E195 V199 N200 E201Q193-Q197 WeakPolarHBondContact O-CG 3.48Å; Q193-Q197 PolarHBondContact O-N 2.93Å; Q193-Q197 VanDerWaalsContact O-N 3.08Å; T194-Q197 PolarHBondContact O-N 3.46Å; E195-Q197 VanDerWaalsContact C-N 3.28Å; E195-Q197 PolarHBondContact O-N 3.28Å; Q197-V199 PolarHBondContact O-N 3Å; Q197-N200 PolarHBondContact O-N 2.86Å; Q197-E201 WeakPolarHBondContact O-CG 3.44Å; Q197-E201 PolarHBondContact O-N 3.29Å
198F90.2Very high80.8Confident127 Ų127103.5 Ų103.556%0.55753%0.53SS*.Hα-helixtrans-59.5-47.7177.7175.9-101.2000112.4T194 E195 N200 E201 M202T194-F198 WeakPolarHBondContact O-CB 3.36Å; T194-F198 PolarHBondContact O-N 3.39Å; E195-F198 PolarHBondContact O-N 3.11Å; F198-N200 VanDerWaalsContact C-N 3.3Å; F198-N200 PolarHBondContact O-N 2.9Å; F198-E201 PolarHBondContact O-N 3.07Å; F198-M202 HydrophobicContact CD1-CG 4.44Å; F198-M202 HydrophobicContact CE1-CE 4.4Å; F198-M202 HydrophobicContact CE1-CG 3.94Å; F198-M202 HydrophobicContact CE1-SD 3.83Å; F198-M202 HydrophobicContact CE2-CG 4.34Å; F198-M202 HydrophobicContact CZ-CG 3.89Å; F198-M202 HydrophobicContact CZ-SD 3.81Å; F198-M202 PolarHBondContact O-N 2.98Å
199V91.4Very high82.5Confident66 Ų66104 Ų10440%0.453%0.526SS..Hα-helixtrans-61.4-40.8177.61730000110.9E195 Q197 M202 I203E195-V199 WeakPolarHBondContact O-CG2 3.35Å; E195-V199 PolarHBondContact O-N 3.23Å; Q197-V199 PolarHBondContact O-N 3Å; V199-M202 PolarHBondContact O-N 2.93Å; V199-I203 HydrophobicContact CG1-CD1 3.88Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.19Å; V199-I203 PolarHBondContact O-N 3.44Å
200N90.5Very high83.3Confident87 Ų87103.5 Ų103.547%0.46552%0.516SS..Hα-helixtrans-65.5-39.5178.1-157.6-13.3000111.9K196 Q197 F198 I203 K204K196-N200 WeakPolarHBondContact O-CB 3.41Å; K196-N200 PolarHBondContact O-N 3.4Å; K196-N200 VanDerWaalsContact O-N 3.07Å; Q197-N200 PolarHBondContact O-N 2.86Å; F198-N200 VanDerWaalsContact C-N 3.3Å; F198-N200 PolarHBondContact O-N 2.9Å; N200-I203 PolarHBondContact O-N 3.29Å; N200-K204 WeakPolarHBondContact O-CG 3.33Å; N200-K204 PolarHBondContact O-N 3.44Å
201E91.6Very high83.7Confident109 Ų109103.8 Ų103.851%0.50951%0.509SS..Hα-helixtrans-67.4-37.7174.3-70.4-58120.100112.4Q197 F198 K204 A205Q197-E201 WeakPolarHBondContact O-CG 3.44Å; Q197-E201 PolarHBondContact O-N 3.29Å; F198-E201 PolarHBondContact O-N 3.07Å; E201-K204 PolarHBondContact O-N 3.03Å; E201-K204 IonicContact OE1-NZ 2.78Å; E201-K204 PolarHBondContact OE1-NZ 2.78Å; E201-A205 WeakPolarHBondContact O-CB 3.5Å; E201-A205 PolarHBondContact O-N 3.11Å
202M95.2Very high83.1Confident106 Ų106105.9 Ų105.952%0.52252%0.522SS..Hα-helixtrans-62.1-44171.9-73.8-142.4-43.400112.2F198 V199 K204 A205 A206F198-M202 HydrophobicContact CD1-CG 4.44Å; F198-M202 HydrophobicContact CE1-CE 4.4Å; F198-M202 HydrophobicContact CE1-CG 3.94Å; F198-M202 HydrophobicContact CE1-SD 3.83Å; F198-M202 HydrophobicContact CE2-CG 4.34Å; F198-M202 HydrophobicContact CZ-CG 3.89Å; F198-M202 HydrophobicContact CZ-SD 3.81Å; F198-M202 PolarHBondContact O-N 2.98Å; V199-M202 PolarHBondContact O-N 2.93Å; M202-K204 VanDerWaalsContact C-N 3.33Å; M202-K204 PolarHBondContact O-N 3.27Å; M202-A205 PolarHBondContact O-N 2.81Å; M202-A206 WeakPolarHBondContact O-CB 3.37Å; M202-A206 PolarHBondContact O-N 3.42Å
203I90.3Very high82Confident74 Ų74107.8 Ų107.838%0.37953%0.528SS..Hα-helixtrans-62.9-41.6178.2-68.7166.8000110.3V199 N200 A206 R207V199-I203 HydrophobicContact CG1-CD1 3.88Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.19Å; V199-I203 PolarHBondContact O-N 3.44Å; N200-I203 PolarHBondContact O-N 3.29Å; I203-A206 PolarHBondContact O-N 3.28Å; I203-R207 WeakPolarHBondContact O-CB 3.39Å; I203-R207 VanDerWaalsContact O-CG 3.31Å; I203-R207 WeakPolarHBondContact O-CG 3.47Å; I203-R207 PolarHBondContact O-N 2.99Å
204K88.6Confident80.7Confident109 Ų109106.7 Ų106.747%0.47453%0.527SS..Hα-helixtrans-62.7-42.9174.4-74.8179.3-168164.80112.3N200 E201 M202 R207 K208N200-K204 WeakPolarHBondContact O-CG 3.33Å; N200-K204 PolarHBondContact O-N 3.44Å; E201-K204 PolarHBondContact O-N 3.03Å; E201-K204 IonicContact OE1-NZ 2.78Å; E201-K204 PolarHBondContact OE1-NZ 2.78Å; M202-K204 VanDerWaalsContact C-N 3.33Å; M202-K204 PolarHBondContact O-N 3.27Å; K204-R207 PolarHBondContact O-N 2.65Å; K204-K208 WeakPolarHBondContact O-CB 3.39Å; K204-K208 PolarHBondContact O-N 2.59Å
205A86.3Confident79.1Confident60 Ų60108.5 Ų108.550%0.49653%0.532SS..Hα-helixtrans-63.5-44.617800000111.4E201 M202 K208 W209E201-A205 WeakPolarHBondContact O-CB 3.5Å; E201-A205 PolarHBondContact O-N 3.11Å; M202-A205 PolarHBondContact O-N 2.81Å; A205-K208 PolarHBondContact O-N 3.01Å; A205-W209 WeakPolarHBondContact O-CB 3.38Å; A205-W209 PolarHBondContact O-N 3.09Å
206A84.7Confident77.4Confident50 Ų50110 Ų11041%0.41354%0.543SS..Hα-helixtrans-62-44.1176.100000111.8M202 I203 K208 W209 L210M202-A206 WeakPolarHBondContact O-CB 3.37Å; M202-A206 PolarHBondContact O-N 3.42Å; I203-A206 PolarHBondContact O-N 3.28Å; A206-K208 PolarHBondContact O-N 2.9Å; A206-W209 PolarHBondContact O-N 3.04Å; A206-L210 WeakPolarHBondContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CG 3.31Å; A206-L210 PolarHBondContact O-N 2.71Å
207R83.3Confident75.6Confident164 Ų164111 Ų11162%0.61955%0.554SS**Hα-helixtrans-62.2-41.2175.1-75.3177.5-176.8-175.60.9112.4I203 K204 W209 L210 Q211I203-R207 WeakPolarHBondContact O-CB 3.39Å; I203-R207 VanDerWaalsContact O-CG 3.31Å; I203-R207 WeakPolarHBondContact O-CG 3.47Å; I203-R207 PolarHBondContact O-N 2.99Å; K204-R207 PolarHBondContact O-N 2.65Å; R207-W209 VanDerWaalsContact C-N 3.31Å; R207-L210 PolarHBondContact O-N 3.41Å; R207-Q211 VanDerWaalsContact O-CB 3.29Å; R207-Q211 WeakPolarHBondContact O-CB 3.42Å; R207-Q211 WeakPolarHBondContact O-CG 3.17Å; R207-Q211 PolarHBondContact O-N 2.86Å
208K83.2Confident73.6Confident157 Ų157113 Ų11368%0.68357%0.568SS**Hα-helixtrans-64.9-39176.6-172.9178.3-179.5-179.70111.4K204 A205 A206 T212K204-K208 WeakPolarHBondContact O-CB 3.39Å; K204-K208 PolarHBondContact O-N 2.59Å; A205-K208 PolarHBondContact O-N 3.01Å; A206-K208 PolarHBondContact O-N 2.9Å; K208-T212 PolarHBondContact O-N 3.4Å; K208-T212 PolarHBondContact O-OG1 3.44Å
209W80.3Confident71.5Confident190 Ų190113.5 Ų113.572%0.7258%0.575SS**Hα-helixtrans-65.3-48.1177-164.372.8000110.7A205 A206 R207 T212A205-W209 WeakPolarHBondContact O-CB 3.38Å; A205-W209 PolarHBondContact O-N 3.09Å; A206-W209 PolarHBondContact O-N 3.04Å; R207-W209 VanDerWaalsContact C-N 3.31Å; W209-T212 WeakPolarHBondContact O-CB 3.22Å; W209-T212 PolarHBondContact O-N 3.49Å; W209-T212 VanDerWaalsContact O-N 3.15Å
210L75.8Confident69.2Low97 Ų97116.9 Ų116.951%0.50859%0.591SS.*Hα-helixtrans-64.4-42.2176.4-72165.6000113.2A206 R207 T212 D213 D214A206-L210 WeakPolarHBondContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CG 3.31Å; A206-L210 PolarHBondContact O-N 2.71Å; R207-L210 PolarHBondContact O-N 3.41Å; L210-T212 PolarHBondContact O-N 2.8Å; L210-T212 VanDerWaalsContact O-N 3.16Å; L210-D213 WeakPolarHBondContact O-CA 3.16Å; L210-D213 WeakPolarHBondContact O-CB 3.49Å; L210-D213 PolarHBondContact O-N 2.96Å; L210-D214 PolarHBondContact O-N 3.28Å
211Q66.2Low66.9Low134 Ų134121.2 Ų121.263%0.62661%0.609SS**Hα-helixtrans-64.7-18.1175.5-84-177.4-16.500113.3R207 D214R207-Q211 VanDerWaalsContact O-CB 3.29Å; R207-Q211 WeakPolarHBondContact O-CB 3.42Å; R207-Q211 WeakPolarHBondContact O-CG 3.17Å; R207-Q211 PolarHBondContact O-N 2.86Å; Q211-D214 PolarHBondContact O-N 3.26Å
212T54.4Low64.3Low89 Ų89120.6 Ų120.655%0.54661%0.613SS.*Hα-helixtrans-73-23.5172.9-44.60000110.8K208 W209 L210K208-T212 PolarHBondContact O-N 3.4Å; K208-T212 PolarHBondContact O-OG1 3.44Å; W209-T212 WeakPolarHBondContact O-CB 3.22Å; W209-T212 PolarHBondContact O-N 3.49Å; W209-T212 VanDerWaalsContact O-N 3.15Å; L210-T212 PolarHBondContact O-N 2.8Å; L210-T212 VanDerWaalsContact O-N 3.16Å
213D52.9Low61.6Low91 Ų91121.5 Ų121.549%0.48763%0.626SS.*Hα-helixtrans-84-18.9173-67.2-32.7000112.8L210 N215 L216L210-D213 WeakPolarHBondContact O-CA 3.16Å; L210-D213 WeakPolarHBondContact O-CB 3.49Å; L210-D213 PolarHBondContact O-N 2.96Å; D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 VanDerWaalsContact O-N 3.12Å; D213-L216 VanDerWaalsContact O-CG 3.26Å; D213-L216 WeakPolarHBondContact O-CG 3.21Å; D213-L216 PolarHBondContact O-N 2.8Å
214D52.2Low59Low108 Ų108123 Ų12358%0.57864%0.643SS**THydrogen-bonded Turntrans-71.20.5174.8-68.1-32.2000113.5L210 Q211 L216L210-D214 PolarHBondContact O-N 3.28Å; Q211-D214 PolarHBondContact O-N 3.26Å; D214-L216 PolarHBondContact O-N 2.86Å
215N47.5Very low56.3Low133 Ų133126.6 Ų126.671%0.71166%0.659SS**THydrogen-bonded Turntrans-7015.3161.9-72.3-47.4000112.8D213 D217D213-N215 PolarHBondContact O-N 3.46Å; D213-N215 VanDerWaalsContact O-N 3.12Å; N215-D217 PolarHBondContact O-N 3Å
216L48.1Very low53.7Low129 Ų129131.7 Ų131.768%0.67568%0.678SS**  trans-80.935.3163.1-67.2170.9000111.8D213 D214 D218 I219D213-L216 VanDerWaalsContact O-CG 3.26Å; D213-L216 WeakPolarHBondContact O-CG 3.21Å; D213-L216 PolarHBondContact O-N 2.8Å; D214-L216 PolarHBondContact O-N 2.86Å; L216-D218 PolarHBondContact O-N 2.87Å; L216-I219 PolarHBondContact O-N 3.44Å
217D47.1Very low51.2Low141 Ų141135.5 Ų135.575%0.75470%0.7SS**THydrogen-bonded Turntrans-62.710.3175.5-95.9-29.2000114.3N215N215-D217 PolarHBondContact O-N 3Å
218D45.4Very low48.7Very low152 Ų152135.5 Ų135.581%0.81371%0.712SS**THydrogen-bonded Turntrans-107.214.9175.7-81.6-23.8000113.2L216 D220L216-D218 PolarHBondContact O-N 2.87Å; D218-D220 PolarHBondContact O-N 2.87Å; D218-D220 VanDerWaalsContact O-N 3.08Å
219I46.3Very low46.5Very low137 Ų137133.1 Ų133.170%0.70371%0.713SS**  trans-82.183.9157.9-53.7-179.1000106.2L216 E221L216-I219 PolarHBondContact O-N 3.44Å; I219-E221 PolarHBondContact O-N 3.43Å
220D43.6Very low44.2Very low137 Ų137128.3 Ų128.373%0.73371%0.713SS**  trans-52.279.1160.7-90.9-40.9000108.6D218 T222D218-D220 PolarHBondContact O-N 2.87Å; D218-D220 VanDerWaalsContact O-N 3.08Å; D220-T222 PolarHBondContact O-N 2.83Å
221E41.1Very low42.4Very low178 Ų178132 Ų13283%0.83273%0.732SS**  trans-71.771.5164.4-160.1179-169.800106I219 P223I219-E221 PolarHBondContact O-N 3.43Å; E221-P223 WeakPolarHBondContact O-CD 3.4Å
222T37.8Very low40.7Very low97 Ų97134.4 Ų134.460%0.59574%0.74SS**  trans-64.5114.8167.334.90000106.5D220 S224D220-T222 PolarHBondContact O-N 2.83Å; T222-S224 PolarHBondContact O-N 2.97Å; T222-S224 PolarHBondContact O-OG 3.02Å
223P37.4Very low39.9Very low125 Ų125134.5 Ų134.581%0.81275%0.75SS**  trans-71.783.9178.529.3-32.5000108E221 K225E221-P223 WeakPolarHBondContact O-CD 3.4Å; P223-K225 VanDerWaalsContact C-N 3.34Å; P223-K225 PolarHBondContact O-N 3.08Å
224S36.2Very low38.8Very low104 Ų104135.7 Ų135.773%0.72776%0.761SS**  trans-77.792.3176.1-57.40000107.7T222T222-S224 PolarHBondContact O-N 2.97Å; T222-S224 PolarHBondContact O-OG 3.02Å
225K32.5Very low37.8Very low186 Ų186138.2 Ų138.281%0.80977%0.774SS**  trans1.6124.2152.2-81.6172.6168.1175.30116P223 C227P223-K225 VanDerWaalsContact C-N 3.34Å; P223-K225 PolarHBondContact O-N 3.08Å; K225-C227 PolarHBondContact O-N 3.02Å
226D31.1Very low37Very low166 Ų166140.1 Ų140.189%0.88878%0.777SS**  trans5.599.9138.9-66.9-50.1000115.4
227C32.1Very low36.3Very low131 Ų131138.3 Ų138.389%0.88578%0.78SS**  trans-126.2118.3151.5-90.10000108.1K225K225-C227 PolarHBondContact O-N 3.02Å
228D31.4Very low35.5Very low163 Ų163137.2 Ų137.287%0.87278%0.779SS**  trans-48.4169.2-176.2-105-38.5000117.1
229P37.3Very low34.6Very low108 Ų108136.6 Ų136.670%0.70178%0.775SS**SBendtrans-91.2167.7-149.536.9-40000115.9
230A32.5Very low33.7Very low88 Ų88134.6 Ų134.673%0.72778%0.779SS**  trans66.773.4156.500000115.6K232A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 2.99Å
231I36.6Very low33.1Very low176 Ų176136.2 Ų136.290%0.90379%0.788SS**  trans-61.9102.2154.9-58.3174.6000107A233I231-A233 PolarHBondContact O-N 2.7Å
232K32.1Very low32.4Very low183 Ų183130.8 Ų130.880%0.79678%0.779SS**  trans-54.8121.9171.5-73.9177.3174.9176.20108.6A230 T234A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 2.99Å; K232-T234 PolarHBondContact O-N 2.83Å
233A36.1Very low32Very low92 Ų92130.8 Ų130.876%0.7679%0.789SS**  trans-55104.216700000108.4I231 D235I231-A233 PolarHBondContact O-N 2.7Å; A233-D235 PolarHBondContact O-N 2.87Å
234T30.2Very low31.9Very low116 Ų116135.5 Ų135.571%0.71279%0.793SS**  trans-76.5105.2169.346.60000107.6K232 K236K232-T234 PolarHBondContact O-N 2.83Å; T234-K236 PolarHBondContact O-N 2.91Å
235D30.9Very low31.4Very low160 Ų160135.5 Ų135.586%0.85679%0.793SS**  trans-58.782.9162.7-74.8-38.5000109.6A233 A237A233-D235 PolarHBondContact O-N 2.87Å; D235-A237 VanDerWaalsContact C-N 3.33Å; D235-A237 PolarHBondContact O-N 2.91Å
236K30.9Very low31.3Very low174 Ų174134.5 Ų134.576%0.75779%0.791SS**  trans-88.483162.2-76.9-163.9177.7-173.60108.6T234 T238T234-K236 PolarHBondContact O-N 2.91Å; K236-T238 VanDerWaalsContact C-N 3.31Å; K236-T238 PolarHBondContact O-N 3.13Å; K236-T238 PolarHBondContact O-OG1 3.35Å
237A33Very low31.2Very low90 Ų90132.4 Ų132.474%0.74478%0.784SS**  trans-54.797.2156.800000108.6D235 N239D235-A237 VanDerWaalsContact C-N 3.33Å; D235-A237 PolarHBondContact O-N 2.91Å; A237-N239 PolarHBondContact O-OD1 3.4Å
238T30.5Very low31.1Very low119 Ų119133.3 Ų133.373%0.7378%0.78SS**  trans-104.985.2171.2-42.10000107.6K236K236-T238 VanDerWaalsContact C-N 3.31Å; K236-T238 PolarHBondContact O-N 3.13Å; K236-T238 PolarHBondContact O-OG1 3.35Å
239N27.9Very low31Very low138 Ų138130.2 Ų130.274%0.73878%0.777SS**  trans32.3104.3135.6-51-11.3000117.3A237A237-N239 PolarHBondContact O-OD1 3.4Å
240A27Very low30.4Very low95 Ų95128.5 Ų128.579%0.78578%0.779SS**  trans25.1107.8133.800000118.2
241N30.3Very low30.3Very low172 Ų172136.1 Ų136.192%0.9279%0.789SS**  trans-151.6121.5150.4-97.3-20.1000110.7
242G26.7Very low29.8Very low63 Ų63134 Ų13465%0.64979%0.789SS**  trans77.188.4162.300000115.8
243A29.3Very low29.9Very low98 Ų98129.6 Ų129.681%0.8178%0.782SS**  48.758.757.800000114.5
244Y35.1Very low29.7Very low224 Ų224136.9 Ų136.988%0.87879%0.79SS**  trans-127.768.8150.6-79.3-81.1000109.8
245S26.2Very low29.9Very low104 Ų104138.5 Ų138.573%0.72779%0.794SS**  trans-94.375.8160.61770000107.9V247S245-V247 PolarHBondContact O-N 2.72Å
246Q29.6Very low29.7Very low165 Ų165133.9 Ų133.977%0.77178%0.784SS**  trans-8991.5163.7-107.8-171.61100108.9N248Q246-N248 PolarHBondContact O-N 3.09Å; Q246-N248 VanDerWaalsContact O-N 3.08Å
247V29.7Very low29.9Very low121 Ų121131.3 Ų131.373%0.73379%0.785SS**  trans-5794.6158.7-86.90000109.9S245 A249S245-V247 PolarHBondContact O-N 2.72Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 3.35Å
248N29.6Very low29.9Very low150 Ų150131.8 Ų131.880%0.80278%0.783SS**  trans-89.882.6156.2-83.9-31.5000108.3Q246Q246-N248 PolarHBondContact O-N 3.09Å; Q246-N248 VanDerWaalsContact O-N 3.08Å
249A29.3Very low30.3Very low99 Ų99134.6 Ų134.682%0.81879%0.788SS**  trans-71.4135.6161.600000109.4V247V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 3.35Å
250G25.4Very low30.5Very low72 Ų72136.3 Ų136.374%0.74279%0.789SS**  trans10880.2155.100000116.4
251R29.4Very low31Very low248 Ų248135.9 Ų135.994%0.93679%0.786SS**  trans-149.192.2135.3-110.3175.9-168.2-134.32.1110S253R251-S253 PolarHBondContact O-N 2.9Å
252S27.3Very low31.5Very low130 Ų130133.3 Ų133.391%0.90978%0.779SS**  trans-63108.5163.5-167.40000108.7
253S34.3Very low32.1Very low92 Ų92135.9 Ų135.964%0.64379%0.787SS**  trans-144.975.6166.7-1800000109.3R251 N255R251-S253 PolarHBondContact O-N 2.9Å; S253-N255 PolarHBondContact O-N 3.32Å
254R30.8Very low32.8Very low244 Ų244135.5 Ų135.592%0.92178%0.783SS**  trans9.779.3135.7-152.1-178-152.4-172.65.3115.2
255N34Very low33.2Very low151 Ų151131.6 Ų131.681%0.80778%0.778SS**  trans-134.9132.3155.2-82.3-27.9000105.7S253S253-N255 PolarHBondContact O-N 3.32Å
256G27.7Very low34.3Very low63 Ų63134.7 Ų134.765%0.64979%0.786SS**  trans-59.6176.8-170.200000114.5S258G256-S258 PolarHBondContact O-N 2.66Å
257P34.2Very low35.1Very low120 Ų120128.8 Ų128.878%0.77977%0.77SS**  trans-66.496.8-17829.5-32.1000108.6E259P257-E259 VanDerWaalsContact C-N 3.25Å; P257-E259 PolarHBondContact O-N 3Å; P257-E259 VanDerWaalsContact O-N 3.08Å
258S34.3Very low36.1Very low100 Ų100124.8 Ų124.870%0.69975%0.752SS**  trans-75.189.9161.21790000106.1G256 F260G256-S258 PolarHBondContact O-N 2.66Å; S258-F260 PolarHBondContact O-N 3.11Å
259E38.9Very low37.2Very low178 Ų178123.5 Ų123.583%0.83275%0.745SS**  trans-63.61.6179.3-79.9-177.5154.900114.7P257P257-E259 VanDerWaalsContact C-N 3.25Å; P257-E259 PolarHBondContact O-N 3Å; P257-E259 VanDerWaalsContact O-N 3.08Å
260F30.7Very low39Very low174 Ų174122.9 Ų122.976%0.76373%0.734SS**SBendtrans-93.2106.1168.7-65.7-79.4000108.6S258 P262S258-F260 PolarHBondContact O-N 3.11Å; F260-P262 VanDerWaalsContact O-N 3.11Å
261A38.3Very low41.1Very low86 Ų86126.5 Ų126.571%0.71173%0.734SS**  trans-46.3122.216000000106.7S263A261-S263 PolarHBondContact O-N 2.84Å
262P40.9Very low43.2Very low118 Ų118121.2 Ų121.277%0.76672%0.72SS**  trans-52.6121.3176.322.5-31.4000105.6F260 A264F260-P262 VanDerWaalsContact O-N 3.11Å; P262-A264 WeakPolarHBondContact O-CA 3.48Å; P262-A264 PolarHBondContact O-N 3.04Å
263S39.4Very low45.4Very low117 Ų117120.6 Ų120.682%0.81871%0.705SS**  trans-40.8104.8-176.3-59.50000107.8A261 D265A261-S263 PolarHBondContact O-N 2.84Å; S263-D265 PolarHBondContact O-N 3.08Å
264A44.6Very low47.4Very low90 Ų90121.1 Ų121.174%0.74470%0.701SS**  trans-55.7118.7-174.600000105.6P262 N266P262-A264 WeakPolarHBondContact O-CA 3.48Å; P262-A264 PolarHBondContact O-N 3.04Å; A264-N266 PolarHBondContact O-N 3.37Å
265D43.1Very low49.6Very low142 Ų142111.7 Ų111.776%0.75968%0.675SS**  trans-41.9132.1-174.8-71.2-58.9000110.1S263 G267 G268S263-D265 PolarHBondContact O-N 3.08Å; D265-G267 PolarHBondContact O-N 3.08Å; D265-G268 PolarHBondContact O-N 3.38Å
266N48.6Very low51.6Low169 Ų169109.4 Ų109.490%0.90466%0.662SS**THydrogen-bonded Turntrans-55.45.8175.1-77.2-7.2000114.3A264A264-N266 PolarHBondContact O-N 3.37Å
267G45.7Very low53.8Low41 Ų41108.5 Ų108.542%0.42365%0.649SS.*THydrogen-bonded Turntrans-90.2-13.5168.200000114.8D265 S270 M271D265-G267 PolarHBondContact O-N 3.08Å; G267-S270 PolarHBondContact O-N 2.98Å; G267-M271 PolarHBondContact O-N 3.24Å; G267-M271 VanDerWaalsContact O-N 3.11Å
268G51.1Low55.8Low36 Ų36107.2 Ų107.237%0.37163%0.633SS.*Hα-helixtrans-62.8-48.1-177.500000112.8D265 S270 M271 E272D265-G268 PolarHBondContact O-N 3.38Å; G268-S270 VanDerWaalsContact C-N 3.34Å; G268-S270 PolarHBondContact O-N 3.32Å; G268-M271 PolarHBondContact O-N 3.39Å; G268-M271 VanDerWaalsContact O-N 3.13Å; G268-E272 PolarHBondContact O-N 2.95Å
269L52.4Low57.7Low124 Ų124110.8 Ų110.865%0.64963%0.631SS**Hα-helixtrans-62.2-40.6178.9-70.1172.5000112.2M271 E272 I273L269-M271 VanDerWaalsContact C-N 3.3Å; L269-M271 PolarHBondContact O-N 2.74Å; L269-E272 PolarHBondContact O-N 3.06Å; L269-I273 VanDerWaalsContact O-CB 3.31Å; L269-I273 WeakPolarHBondContact O-CB 3.29Å; L269-I273 WeakPolarHBondContact O-CD1 3.39Å; L269-I273 WeakPolarHBondContact O-CG1 3.19Å; L269-I273 PolarHBondContact O-N 3.11Å
270S67.3Low59Low85 Ų85109 Ų10959%0.59462%0.618SS**Hα-helixtrans-63.2-38.9176.5172.30000111.5G267 G268 N274G267-S270 PolarHBondContact O-N 2.98Å; G268-S270 VanDerWaalsContact C-N 3.34Å; G268-S270 PolarHBondContact O-N 3.32Å; S270-N274 WeakPolarHBondContact O-CB 3.5Å; S270-N274 PolarHBondContact O-N 3.4Å
271M70Confident60.6Low149 Ų149106.2 Ų106.273%0.73461%0.611SS**Hα-helixtrans-74.1-38.2-179.6-160.2171.5-7200111.5G267 G268 L269 A275G267-M271 PolarHBondContact O-N 3.24Å; G267-M271 VanDerWaalsContact O-N 3.11Å; G268-M271 PolarHBondContact O-N 3.39Å; G268-M271 VanDerWaalsContact O-N 3.13Å; L269-M271 VanDerWaalsContact C-N 3.3Å; L269-M271 PolarHBondContact O-N 2.74Å; M271-A275 VanDerWaalsContact O-CB 3.23Å; M271-A275 WeakPolarHBondContact O-CB 3.37Å; M271-A275 PolarHBondContact O-N 3.42Å
272E73.1Confident61.6Low136 Ų136107.9 Ų107.964%0.63661%0.607SS**Hα-helixtrans-67.2-46174.6-80.4-179.5168.300112.5G268 L269 N274 A275 L276G268-E272 PolarHBondContact O-N 2.95Å; L269-E272 PolarHBondContact O-N 3.06Å; E272-N274 VanDerWaalsContact C-N 3.32Å; E272-N274 PolarHBondContact O-N 3.13Å; E272-A275 PolarHBondContact O-N 2.9Å; E272-L276 WeakPolarHBondContact O-CB 3.41Å; E272-L276 PolarHBondContact O-N 2.86Å
273I73.9Confident62.4Low117 Ų117109.3 Ų109.360%0.660%0.604SS**Hα-helixtrans-61.9-43.4176.6-68.5165.9000110L269 L276 A277L269-I273 VanDerWaalsContact O-CB 3.31Å; L269-I273 WeakPolarHBondContact O-CB 3.29Å; L269-I273 WeakPolarHBondContact O-CD1 3.39Å; L269-I273 WeakPolarHBondContact O-CG1 3.19Å; L269-I273 PolarHBondContact O-N 3.11Å; I273-L276 PolarHBondContact O-N 2.7Å; I273-A277 WeakPolarHBondContact O-CB 3.44Å; I273-A277 PolarHBondContact O-N 3Å
274N76.2Confident62.8Low103 Ų103109.3 Ų109.355%0.55160%0.595SS**Hα-helixtrans-66.8-39.3178-159.632.6000111.6S270 E272 L276 A277 M278S270-N274 WeakPolarHBondContact O-CB 3.5Å; S270-N274 PolarHBondContact O-N 3.4Å; E272-N274 VanDerWaalsContact C-N 3.32Å; E272-N274 PolarHBondContact O-N 3.13Å; N274-L276 VanDerWaalsContact C-N 3.34Å; N274-L276 PolarHBondContact O-N 3.31Å; N274-A277 PolarHBondContact O-N 2.76Å; N274-M278 VanDerWaalsContact O-CG 3.29Å; N274-M278 WeakPolarHBondContact O-CG 3.4Å; N274-M278 PolarHBondContact O-N 2.76Å
275A76.7Confident62.8Low47 Ų47108 Ų10839%0.38859%0.59SS.*Hα-helixtrans-64.2-38.4173.600000112.3M271 E272 R279M271-A275 VanDerWaalsContact O-CB 3.23Å; M271-A275 WeakPolarHBondContact O-CB 3.37Å; M271-A275 PolarHBondContact O-N 3.42Å; E272-A275 PolarHBondContact O-N 2.9Å; A275-R279 WeakPolarHBondContact O-CG 3.21Å; A275-R279 PolarHBondContact O-N 2.88Å
276L76.8Confident63Low102 Ų102108.2 Ų108.253%0.53459%0.591SS.*Hα-helixtrans-65.5-46.8175.5-151.593.4000110.6E272 I273 N274 M278 R279 Y280E272-L276 WeakPolarHBondContact O-CB 3.41Å; E272-L276 PolarHBondContact O-N 2.86Å; I273-L276 PolarHBondContact O-N 2.7Å; N274-L276 VanDerWaalsContact C-N 3.34Å; N274-L276 PolarHBondContact O-N 3.31Å; L276-M278 VanDerWaalsContact C-N 3.33Å; L276-M278 PolarHBondContact O-N 2.98Å; L276-R279 WeakPolarHBondContact O-CB 3.46Å; L276-R279 PolarHBondContact O-N 3.45Å; L276-R279 VanDerWaalsContact O-N 3.09Å; L276-Y280 HydrophobicContact CD2-CD2 4.36Å; L276-Y280 HydrophobicContact CD2-CE2 3.96Å; L276-Y280 HydrophobicContact CG-CD2 4.26Å; L276-Y280 HydrophobicContact CG-CE2 4.09Å; L276-Y280 WeakPolarHBondContact O-CD2 3.33Å; L276-Y280 PolarHBondContact O-N 3.45Å
277A74.2Confident62.6Low44 Ų44107.5 Ų107.536%0.36458%0.583SS.*Hα-helixtrans-58.9-43.7177.300000111.7I273 N274 R279 Y280 L281I273-A277 WeakPolarHBondContact O-CB 3.44Å; I273-A277 PolarHBondContact O-N 3Å; N274-A277 PolarHBondContact O-N 2.76Å; A277-R279 VanDerWaalsContact C-N 3.32Å; A277-R279 PolarHBondContact O-N 3.18Å; A277-Y280 PolarHBondContact O-N 3.46Å; A277-L281 WeakPolarHBondContact O-CB 3.29Å; A277-L281 PolarHBondContact O-N 3.17Å
278M75.6Confident62.4Low93 Ų93110.9 Ų110.946%0.45860%0.597SS.*Hα-helixtrans-66.3-31.7175.7-69.3-55.6-58.800112.9N274 L276 L281 N282N274-M278 VanDerWaalsContact O-CG 3.29Å; N274-M278 WeakPolarHBondContact O-CG 3.4Å; N274-M278 PolarHBondContact O-N 2.76Å; L276-M278 VanDerWaalsContact C-N 3.33Å; L276-M278 PolarHBondContact O-N 2.98Å; M278-L281 HydrophobicContact SD-CD1 4.31Å; M278-N282 WeakPolarHBondContact O-CB 3.27Å; M278-N282 VanDerWaalsContact O-CG 3.25Å; M278-N282 PolarHBondContact O-N 3.4Å; M278-N282 PolarHBondContact O-ND2 2.98Å
279R73.2Confident62.2Low175 Ų175114.9 Ų114.966%0.6662%0.616SS**Hα-helixtrans-67.9-41.4172.7-75.5179.4-172.3-165.54.2112A275 L276 A277 N282 Q283A275-R279 WeakPolarHBondContact O-CG 3.21Å; A275-R279 PolarHBondContact O-N 2.88Å; L276-R279 WeakPolarHBondContact O-CB 3.46Å; L276-R279 PolarHBondContact O-N 3.45Å; L276-R279 VanDerWaalsContact O-N 3.09Å; A277-R279 VanDerWaalsContact C-N 3.32Å; A277-R279 PolarHBondContact O-N 3.18Å; R279-N282 PolarHBondContact O-N 3.49Å; R279-Q283 WeakPolarHBondContact O-CB 3.43Å; R279-Q283 WeakPolarHBondContact O-CG 3.47Å; R279-Q283 PolarHBondContact O-N 2.99Å
280Y66.3Low61.5Low140 Ų140115.6 Ų115.655%0.54962%0.616SS.*Hα-helixtrans-67.8-39.5175.8-85-78.1000112.2L276 A277 N282 Q283 N284L276-Y280 HydrophobicContact CD2-CD2 4.36Å; L276-Y280 HydrophobicContact CD2-CE2 3.96Å; L276-Y280 HydrophobicContact CG-CD2 4.26Å; L276-Y280 HydrophobicContact CG-CE2 4.09Å; L276-Y280 WeakPolarHBondContact O-CD2 3.33Å; L276-Y280 PolarHBondContact O-N 3.45Å; A277-Y280 PolarHBondContact O-N 3.46Å; Y280-N282 VanDerWaalsContact C-N 3.33Å; Y280-N282 PolarHBondContact O-N 2.88Å; Y280-Q283 PolarHBondContact O-N 3.45Å; Y280-N284 PolarHBondContact O-N 2.83Å
281L66.2Low60.4Low116 Ų116118 Ų11861%0.60763%0.627SS**Hα-helixtrans-60.4-41.3172.8-101149.1000112.2A277 M278 N284A277-L281 WeakPolarHBondContact O-CB 3.29Å; A277-L281 PolarHBondContact O-N 3.17Å; M278-L281 HydrophobicContact SD-CD1 4.31Å; L281-N284 CarbonylContact O-C 3.47Å
282N59.1Low58.9Low121 Ų121117.4 Ų117.465%0.64762%0.622SS**Hα-helixtrans-76.8-27.4178.9-72.7-15.3000113.6M278 R279 Y280 G285M278-N282 WeakPolarHBondContact O-CB 3.27Å; M278-N282 VanDerWaalsContact O-CG 3.25Å; M278-N282 PolarHBondContact O-N 3.4Å; M278-N282 PolarHBondContact O-ND2 2.98Å; R279-N282 PolarHBondContact O-N 3.49Å; Y280-N282 VanDerWaalsContact C-N 3.33Å; Y280-N282 PolarHBondContact O-N 2.88Å; N282-G285 PolarHBondContact O-N 3.33Å
283Q56.5Low57.3Low149 Ų149122.2 Ų122.270%0.69664%0.635SS**Hα-helixtrans-73.4-32.6174-78.5-178.717.300111.6R279 Y280 G285R279-Q283 WeakPolarHBondContact O-CB 3.43Å; R279-Q283 WeakPolarHBondContact O-CG 3.47Å; R279-Q283 PolarHBondContact O-N 2.99Å; Y280-Q283 PolarHBondContact O-N 3.45Å; Q283-G285 PolarHBondContact O-N 3.47Å
284N48.7Very low55.7Low116 Ų116127.5 Ų127.562%0.6265%0.647SS**THydrogen-bonded Turntrans-83.848167.3-60.9-21.5000110.3Y280 L281 D286Y280-N284 PolarHBondContact O-N 2.83Å; L281-N284 CarbonylContact O-C 3.47Å; N284-D286 PolarHBondContact O-N 2.89Å
285G44.4Very low53.9Low62 Ų62133.3 Ų133.364%0.63966%0.661SS**  trans-68.822.3169.500000113.4N282 Q283 E287N282-G285 PolarHBondContact O-N 3.33Å; Q283-G285 PolarHBondContact O-N 3.47Å; G285-E287 PolarHBondContact O-N 3.17Å
286D48.2Very low51.9Low148 Ų148135 Ų13579%0.79168%0.683SS**SBendtrans-66.4126.8157.9-76.1-35.2000107N284N284-D286 PolarHBondContact O-N 2.89Å
287E39.5Very low50Low154 Ų154135.4 Ų135.472%0.7269%0.689SS**  trans-38.6151.1-172.9-76.6178.7113.700114.8G285 P289G285-E287 PolarHBondContact O-N 3.17Å; E287-P289 VanDerWaalsContact O-N 3.09Å
288P42.3Very low48.1Very low112 Ų112141.8 Ų141.873%0.72771%0.711SS**SBendtrans-48.9126.1167.323.8-33.6000107.6E290P288-E290 PolarHBondContact O-N 2.92Å
289P45.5Very low46.2Very low119 Ų119146 Ų14677%0.77373%0.727SS**  trans-50.3110.9-171.116.5-30.3000107.9E287 V291E287-P289 VanDerWaalsContact O-N 3.09Å; P289-V291 PolarHBondContact O-N 2.91Å
290E39.2Very low44.5Very low139 Ų139146 Ų14665%0.6574%0.735SS**  trans-47.2121.8175.2-95-166.1143.900105.5P288 H292P288-E290 PolarHBondContact O-N 2.92Å; E290-H292 PolarHBondContact O-N 2.92Å; E290-H292 PolarHBondContact O-ND1 3.43Å; E290-H292 VanDerWaalsContact O-ND1 3.11Å; E290-H292 IonicContact OE2-CE1 3.53Å
291V42.3Very low43Very low137 Ų137143.8 Ų143.883%0.8374%0.74SS**  trans-62.975.3-177.4-161.50000106.7P289 R293P289-V291 PolarHBondContact O-N 2.91Å; V291-R293 PolarHBondContact O-N 3.4Å
292H38.3Very low41.8Very low136 Ų136143.2 Ų143.263%0.6374%0.743SS**  trans-65.295.6172.5-87.769.7000103E290 R294E290-H292 PolarHBondContact O-N 2.92Å; E290-H292 PolarHBondContact O-ND1 3.43Å; E290-H292 VanDerWaalsContact O-ND1 3.11Å; E290-H292 IonicContact OE2-CE1 3.53Å; H292-R294 HydrophobicContact CB-CG 4.36Å; H292-R294 PolarHBondContact O-N 3.13Å
293R40.5Very low40.8Very low237 Ų237145 Ų14589%0.89475%0.753SS**  trans-56.774.1162.3-77.6-163.6172.5-157.41.3106.9V291 R295V291-R293 PolarHBondContact O-N 3.4Å; R293-R295 PolarHBondContact O-N 3.44Å
294R40.1Very low39.8Very low227 Ų227146.4 Ų146.486%0.85775%0.753SS**  trans-63.8111.1170.1-73.1-166.1178-160.71.8104.4H292 G296H292-R294 HydrophobicContact CB-CG 4.36Å; H292-R294 PolarHBondContact O-N 3.13Å; R294-G296 PolarHBondContact O-N 3.31Å
295R38.4Very low39.2Very low226 Ų226148.8 Ų148.885%0.85376%0.763SS**  trans-39.7131.8169.9-71.4177.9-169.9-1793.1107.3R293 V297R293-R295 PolarHBondContact O-N 3.44Å; R295-V297 VanDerWaalsContact C-N 3.28Å; R295-V297 PolarHBondContact O-N 3.46Å
296G34.5Very low39Very low81 Ų81152.8 Ų152.884%0.83577%0.769SS**  trans-5294.817800000110.1R294 H298R294-G296 PolarHBondContact O-N 3.31Å; G296-H298 PolarHBondContact O-N 2.96Å
297V36.9Very low38.6Very low112 Ų112151.8 Ų151.868%0.67977%0.768SS**  trans-80.5109.2160.1-176.60000102.5R295 F299R295-V297 VanDerWaalsContact C-N 3.28Å; R295-V297 PolarHBondContact O-N 3.46Å; V297-F299 VanDerWaalsContact C-N 3.25Å; V297-F299 PolarHBondContact O-N 3.04Å
298H34.7Very low38.7Very low178 Ų178154.2 Ų154.282%0.82477%0.77SS**  trans-50.697.2167.3-108.8-84.6000107.1G296 E300G296-H298 PolarHBondContact O-N 2.96Å; H298-E300 PolarHBondContact O-N 3.22Å
299F35.6Very low38.6Very low181 Ų181160 Ų16079%0.79478%0.778SS**  trans-7097.7159.5-85.2-90.1000104.6V297 S301V297-F299 VanDerWaalsContact C-N 3.25Å; V297-F299 PolarHBondContact O-N 3.04Å; F299-S301 PolarHBondContact O-N 3.29Å
300E38Very low38.5Very low174 Ų174163 Ų16381%0.81378%0.781SS**  trans-57.693.3154-77.8-175.4149.100105.6H298 P302H298-E300 PolarHBondContact O-N 3.22Å; E300-P302 WeakPolarHBondContact O-CD 3.49Å
301S34.6Very low38.5Very low95 Ų95163.5 Ų163.566%0.66478%0.784SS**  trans-51.9115.5172.7-67.30000107F299 N303F299-S301 PolarHBondContact O-N 3.29Å; S301-N303 PolarHBondContact O-N 3.05Å
302P40.1Very low38.5Very low103 Ų103162.2 Ų162.267%0.66978%0.776SS**  trans-56121.5175.5-20.331.2000106.3E300 Y304E300-P302 WeakPolarHBondContact O-CD 3.49Å; P302-Y304 VanDerWaalsContact O-CD1 3.22Å; P302-Y304 WeakPolarHBondContact O-CD1 3.44Å; P302-Y304 PolarHBondContact O-N 2.94Å
303N38.4Very low38.6Very low160 Ų160161.9 Ų161.986%0.85678%0.783SS**  trans-64.676.1169.7-89.6-70.2000107.7S301 M305S301-N303 PolarHBondContact O-N 3.05Å; N303-M305 VanDerWaalsContact C-N 3.3Å; N303-M305 PolarHBondContact O-N 3.19Å
304Y36.8Very low38.7Very low177 Ų177155.7 Ų155.769%0.69477%0.772SS**  trans-71.599.7164.560.8-87.9000105.4P302 L306P302-Y304 VanDerWaalsContact O-CD1 3.22Å; P302-Y304 WeakPolarHBondContact O-CD1 3.44Å; P302-Y304 PolarHBondContact O-N 2.94Å; Y304-L306 VanDerWaalsContact C-N 3.27Å; Y304-L306 HydrophobicContact CD2-CD1 4.41Å; Y304-L306 HydrophobicContact CD2-CD2 4.11Å; Y304-L306 HydrophobicContact CD2-CG 3.76Å; Y304-L306 HydrophobicContact CE2-CD1 3.9Å; Y304-L306 HydrophobicContact CE2-CD2 4.16Å; Y304-L306 HydrophobicContact CE2-CG 3.75Å; Y304-L306 PolarHBondContact O-N 3.03Å
305M35Very low38.7Very low167 Ų167152.7 Ų152.782%0.82377%0.767SS**  trans-61.298.3163.9-70.5-162.9-53.800106.5N303 T307N303-M305 VanDerWaalsContact C-N 3.3Å; N303-M305 PolarHBondContact O-N 3.19Å; M305-T307 VanDerWaalsContact C-N 3.31Å; M305-T307 PolarHBondContact O-N 2.97Å
306L39.9Very low38.8Very low146 Ų146150.7 Ų150.776%0.76477%0.768SS**  trans-55.9103.2165.1-78.7166.5000106.8Y304 R308Y304-L306 VanDerWaalsContact C-N 3.27Å; Y304-L306 HydrophobicContact CD2-CD1 4.41Å; Y304-L306 HydrophobicContact CD2-CD2 4.11Å; Y304-L306 HydrophobicContact CD2-CG 3.76Å; Y304-L306 HydrophobicContact CE2-CD1 3.9Å; Y304-L306 HydrophobicContact CE2-CD2 4.16Å; Y304-L306 HydrophobicContact CE2-CG 3.75Å; Y304-L306 PolarHBondContact O-N 3.03Å; L306-R308 VanDerWaalsContact C-N 3.25Å; L306-R308 PolarHBondContact O-N 3.03Å
307T41.2Very low39.1Very low127 Ų127152.3 Ų152.378%0.77976%0.761SS**  trans-61.390.2174.726.60000109.1M305 R309M305-T307 VanDerWaalsContact C-N 3.31Å; M305-T307 PolarHBondContact O-N 2.97Å; T307-R309 PolarHBondContact O-N 3Å
308R40.6Very low39.1Very low204 Ų204152.3 Ų152.377%0.7777%0.766SS**  trans13.674.3147.4-168.3-170.9-84-120.31.2114.2L306L306-R308 VanDerWaalsContact C-N 3.25Å; L306-R308 PolarHBondContact O-N 3.03Å
309R40.4Very low39.4Very low234 Ų234151.3 Ų151.388%0.88376%0.764SS**  trans-132.4120.3155.7-74.7-171.7175.3-174.1-0.4106.3T307T307-R309 PolarHBondContact O-N 3Å
310Q43.3Very low39.4Very low182 Ų182147.8 Ų147.885%0.8577%0.768SS**  trans80.861.8-177.7-51.3175.6-2.200115.1V312Q310-V312 PolarHBondContact O-N 3.08Å
311Q39.7Very low39.4Very low150 Ų150142.1 Ų142.170%0.70176%0.757SS**  trans-64.992141.8-87.5-177.5-44.300106.7V313Q311-V313 PolarHBondContact O-N 3.19Å; Q311-V313 VanDerWaalsContact O-N 3.17Å
312V41.1Very low39.6Very low109 Ų109146 Ų14666%0.66177%0.769SS**  trans-64111154.9179.20000104.1Q310 T314Q310-V312 PolarHBondContact O-N 3.08Å; V312-T314 HydrophobicContact CG1-CG2 4.36Å; V312-T314 PolarHBondContact O-N 2.95Å
313V40.7Very low39.5Very low129 Ų129145.7 Ų145.778%0.78279%0.785SS**  trans-67.189.4172-179.50000105.5Q311 E315Q311-V313 PolarHBondContact O-N 3.19Å; Q311-V313 VanDerWaalsContact O-N 3.17Å; V313-E315 VanDerWaalsContact C-N 3.3Å; V313-E315 PolarHBondContact O-N 3.45Å; V313-E315 VanDerWaalsContact O-N 3.08Å
314T43.3Very low39.7Very low107 Ų107140.6 Ų140.666%0.65677%0.77SS**  trans-70.7101162.2510000104.7V312 E316V312-T314 HydrophobicContact CG1-CG2 4.36Å; V312-T314 PolarHBondContact O-N 2.95Å; T314-E316 PolarHBondContact O-N 3.16Å
315E39.8Very low40Very low164 Ų164136.1 Ų136.177%0.76676%0.763SS**  trans-50.5114.7170.8-145.9173.2-171.800106.7V313 V317V313-E315 VanDerWaalsContact C-N 3.3Å; V313-E315 PolarHBondContact O-N 3.45Å; V313-E315 VanDerWaalsContact O-N 3.08Å; E315-V317 PolarHBondContact O-N 2.85Å
316E40.2Very low40.8Very low185 Ų185133.1 Ų133.186%0.86476%0.755SS**  trans-66.188.8174.9-59.8-174.9-167.200106T314 S318T314-E316 PolarHBondContact O-N 3.16Å; E316-S318 PolarHBondContact O-N 3.43Å
317V42Very low41.3Very low114 Ų114130.9 Ų130.969%0.69174%0.741SS**  trans-66.393.4166.2-174.60000104E315 M319E315-V317 PolarHBondContact O-N 2.85Å; V317-M319 HydrophobicContact CG1-CG 4.14Å; V317-M319 HydrophobicContact CG1-SD 4.46Å; V317-M319 PolarHBondContact O-N 2.98Å
318S35.8Very low42Very low113 Ų113131 Ų13179%0.7974%0.741SS**  trans-65.176.9173-151.30000106.9E316 A320E316-S318 PolarHBondContact O-N 3.43Å; S318-A320 PolarHBondContact O-N 3.25Å
319M41.1Very low42.7Very low156 Ų156126.5 Ų126.577%0.76874%0.741SS**  trans-6494.5161.1-73.5-69.5-70.300103.9V317 G321V317-M319 HydrophobicContact CG1-CG 4.14Å; V317-M319 HydrophobicContact CG1-SD 4.46Å; V317-M319 PolarHBondContact O-N 2.98Å; M319-G321 PolarHBondContact O-N 3.21Å
320A35Very low43.4Very low108 Ų108117.1 Ų117.189%0.89371%0.709SS**  trans-53.390.3166.100000107.4S318S318-A320 PolarHBondContact O-N 3.25Å
321G37.7Very low44.4Very low55 Ų55111.5 Ų111.557%0.56769%0.689SS**SBendtrans-178.387.4-166.500000110.2M319M319-G321 PolarHBondContact O-N 3.21Å
322L40.4Very low45.8Very low176 Ų176109.1 Ų109.192%0.92169%0.689SS**  trans67.696.7162-56.5164.2000114.5G324L322-G324 PolarHBondContact O-N 2.86Å
323G36.9Very low47.2Very low97 Ų97111.4 Ų111.4100%169%0.686SS**  trans-51.4107.417500000112.6
324G42.9Very low48.5Very low53 Ų53109.1 Ų109.155%0.54667%0.667SS.*  trans-124.8146.9164.800000109L322L322-G324 PolarHBondContact O-N 2.86Å
325P43.3Very low49.8Very low83 Ų83108.7 Ų108.754%0.53965%0.654SS.*  trans-58.8149.3176.924.3-32000110.7E327P325-E327 PolarHBondContact O-N 3.16Å
326P51.5Low51.4Low103 Ų103103.5 Ų103.567%0.66963%0.631SS**  trans-54.5123.3-167.721.7-33.9000111.6V328P326-V328 HydrophobicContact CB-CG2 3.78Å; P326-V328 PolarHBondContact O-N 2.96Å
327E50.4Low52.9Low99 Ų9998.3 Ų98.346%0.46361%0.607SS.*G310 helixtrans-66.9-1.2-173.7-64.9-165.1140.100114.5P325 S329 Y335 H339P325-E327 PolarHBondContact O-N 3.16Å; E327-S329 PolarHBondContact O-N 3.25Å; E327-Y335 WeakPolarHBondContact OE2-CE2 3.49Å; E327-H339 IonicContact OE1-CE1 3.78Å; E327-H339 IonicContact OE1-NE2 3Å; E327-H339 PolarHBondContact OE1-NE2 3.16Å
328V55.8Low54.1Low129 Ų12998.8 Ų98.878%0.78260%0.596SS**G310 helixtrans-69.10.2-176.5-91.80000114.9P326P326-V328 HydrophobicContact CB-CG2 3.78Å; P326-V328 PolarHBondContact O-N 2.96Å
329S55.8Low55.5Low110 Ų11098.1 Ų98.177%0.76958%0.58SS**G310 helixtrans-138.515.7-179.1-50.80000114.4E327E327-S329 PolarHBondContact O-N 3.25Å
330L54.2Low56.5Low38 Ų3893.5 Ų93.520%0.19957%0.573CS.*  trans-78.7136.7172.9-63.5177.7000109.6E334L330-E334 HydrophobicContact CB-CB 4.41Å; L330-E334 HydrophobicContact CD2-CB 4.44Å; L330-E334 HydrophobicContact CD2-CG 4.08Å; L330-E334 WeakPolarHBondContact CD2-OE2 2.96Å
331S65.7Low58.1Low63 Ų6393.1 Ų93.144%0.44156%0.559SS.*  trans-58.2147.9163.472.30000109R333 E334 Y335S331-R333 PolarHBondContact O-N 2.85Å; S331-E334 PolarHBondContact O-N 3.2Å; S331-E334 WeakPolarHBondContact OG-CB 3.15Å; S331-E334 PolarHBondContact OG-N 2.77Å; S331-Y335 PolarHBondContact O-N 3Å
332S68.3Low59Low101 Ų10193.9 Ų93.971%0.70655%0.55SS*.Hα-helixtrans-50.8-34.3177.949.90000112.4L336S332-L336 WeakPolarHBondContact O-CB 3.48Å; S332-L336 WeakPolarHBondContact O-CD1 3.46Å; S332-L336 WeakPolarHBondContact O-CG 3.39Å; S332-L336 PolarHBondContact O-N 3.47Å
333R70.1Confident59.5Low157 Ų15787.5 Ų87.559%0.59253%0.526SS*.Hα-helixtrans-66.1-46.5174.9-174.5177.9-179.5123.41.5113.1S331 L336 E337S331-R333 PolarHBondContact O-N 2.85Å; R333-L336 PolarHBondContact O-N 3.49Å; R333-E337 IonicContact CZ-OE1 3.86Å; R333-E337 IonicContact NE-OE1 3.81Å; R333-E337 PolarHBondContact NE-OE1 3.02Å; R333-E337 IonicContact NH2-OE1 3.58Å; R333-E337 WeakPolarHBondContact O-CB 3.48Å; R333-E337 PolarHBondContact O-N 3.3Å
334E69Low60.3Low80 Ų8088.1 Ų88.137%0.37451%0.512SS..Hα-helixtrans-70.6-34.6-176.6-159.4178.9179.300111.8L330 S331 E337 R338L330-E334 HydrophobicContact CB-CB 4.41Å; L330-E334 HydrophobicContact CD2-CB 4.44Å; L330-E334 HydrophobicContact CD2-CG 4.08Å; L330-E334 WeakPolarHBondContact CD2-OE2 2.96Å; S331-E334 PolarHBondContact O-N 3.2Å; S331-E334 WeakPolarHBondContact OG-CB 3.15Å; S331-E334 PolarHBondContact OG-N 2.77Å; E334-E337 PolarHBondContact O-N 3.49Å; E334-R338 WeakPolarHBondContact O-CG 3.34Å; E334-R338 PolarHBondContact O-N 2.93Å
335Y69.9Low60.4Low99 Ų9991.9 Ų91.939%0.38853%0.53SS..Hα-helixtrans-59.3-50.2169-179.5-91.1000110.7E327 S331 E337 R338 H339E327-Y335 WeakPolarHBondContact OE2-CE2 3.49Å; S331-Y335 PolarHBondContact O-N 3Å; Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 PolarHBondContact O-N 3.16Å; Y335-R338 PolarHBondContact O-N 3.06Å; Y335-H339 AromaticContact CD1-CD2 3.81Å; Y335-H339 AromaticContact CD2-CD2 3.7Å; Y335-H339 AromaticContact CD2-NE2 3.83Å; Y335-H339 AromaticContact CE1-CD2 3.56Å; Y335-H339 AromaticContact CE2-CD2 3.46Å; Y335-H339 VanDerWaalsContact CE2-CD2 3.46Å; Y335-H339 WeakPolarHBondContact CE2-CD2 3.4Å; Y335-H339 AromaticContact CE2-NE2 3.29Å; Y335-H339 VanDerWaalsContact CE2-NE2 3.29Å; Y335-H339 WeakPolarHBondContact CE2-NE2 3.47Å; Y335-H339 AromaticContact CG-CD2 3.87Å; Y335-H339 AromaticContact CZ-CD2 3.38Å; Y335-H339 AromaticContact CZ-NE2 3.45Å; Y335-H339 WeakPolarHBondContact O-CB 3.23Å; Y335-H339 PolarHBondContact O-CD2 2.98Å; Y335-H339 PolarHBondContact O-N 2.76Å
336L73.5Confident60.3Low55 Ų5590.7 Ų90.729%0.28853%0.533SS..Hα-helixtrans-66.7-33179.8-68.4171.1000113S332 R333 G340 V341 I342S332-L336 WeakPolarHBondContact O-CB 3.48Å; S332-L336 WeakPolarHBondContact O-CD1 3.46Å; S332-L336 WeakPolarHBondContact O-CG 3.39Å; S332-L336 PolarHBondContact O-N 3.47Å; R333-L336 PolarHBondContact O-N 3.49Å; L336-G340 PolarHBondContact O-N 3.23Å; L336-G340 VanDerWaalsContact O-N 3.16Å; L336-V341 HydrophobicContact CB-CB 4.12Å; L336-V341 HydrophobicContact CD2-CB 3.79Å; L336-V341 HydrophobicContact CD2-CG1 3.92Å; L336-V341 HydrophobicContact CD2-CG2 3.84Å; L336-V341 PolarHBondContact O-N 3.1Å; L336-I342 HydrophobicContact CB-CB 4.4Å; L336-I342 HydrophobicContact CB-CD1 3.73Å; L336-I342 HydrophobicContact CB-CG1 3.92Å; L336-I342 HydrophobicContact CD1-CD1 3.57Å; L336-I342 HydrophobicContact CD1-CG1 4.42Å; L336-I342 HydrophobicContact CG-CD1 4.27Å; L336-I342 PolarHBondContact O-N 2.7Å
337E71.8Confident59.7Low75 Ų7596.7 Ų96.735%0.3554%0.543SS..Hα-helixtrans-65.1-45.7172.5-88.1170.4-16100111.9R333 E334 Y335 H339 G340 I342R333-E337 IonicContact CZ-OE1 3.86Å; R333-E337 IonicContact NE-OE1 3.81Å; R333-E337 PolarHBondContact NE-OE1 3.02Å; R333-E337 IonicContact NH2-OE1 3.58Å; R333-E337 WeakPolarHBondContact O-CB 3.48Å; R333-E337 PolarHBondContact O-N 3.3Å; E334-E337 PolarHBondContact O-N 3.49Å; Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 PolarHBondContact O-N 3.16Å; E337-H339 PolarHBondContact O-N 3.15Å; E337-G340 PolarHBondContact O-N 3.35Å; E337-G340 VanDerWaalsContact O-N 3.16Å; E337-I342 VanDerWaalsContact CA-O 3.23Å; E337-I342 WeakPolarHBondContact CA-O 3.29Å; E337-I342 WeakPolarHBondContact CG-O 3.37Å
338R67.3Low59.4Low125 Ų12597.4 Ų97.447%0.47256%0.556SS.*Hα-helixtrans-65.6-37.4176.1-76.1-168.8-172.5179.86.7113.3E334 Y335 G340E334-R338 WeakPolarHBondContact O-CG 3.34Å; E334-R338 PolarHBondContact O-N 2.93Å; Y335-R338 PolarHBondContact O-N 3.06Å; R338-G340 PolarHBondContact O-N 3.3Å
339H66.1Low58.7Low98 Ų98100.2 Ų100.245%0.45456%0.561SS.*THydrogen-bonded Turntrans-82.27.3176.9-72.6-73.1000112.9E327 Y335 E337 V341E327-H339 IonicContact OE1-CE1 3.78Å; E327-H339 IonicContact OE1-NE2 3Å; E327-H339 PolarHBondContact OE1-NE2 3.16Å; Y335-H339 AromaticContact CD1-CD2 3.81Å; Y335-H339 AromaticContact CD2-CD2 3.7Å; Y335-H339 AromaticContact CD2-NE2 3.83Å; Y335-H339 AromaticContact CE1-CD2 3.56Å; Y335-H339 AromaticContact CE2-CD2 3.46Å; Y335-H339 VanDerWaalsContact CE2-CD2 3.46Å; Y335-H339 WeakPolarHBondContact CE2-CD2 3.4Å; Y335-H339 AromaticContact CE2-NE2 3.29Å; Y335-H339 VanDerWaalsContact CE2-NE2 3.29Å; Y335-H339 WeakPolarHBondContact CE2-NE2 3.47Å; Y335-H339 AromaticContact CG-CD2 3.87Å; Y335-H339 AromaticContact CZ-CD2 3.38Å; Y335-H339 AromaticContact CZ-NE2 3.45Å; Y335-H339 WeakPolarHBondContact O-CB 3.23Å; Y335-H339 PolarHBondContact O-CD2 2.98Å; Y335-H339 PolarHBondContact O-N 2.76Å; E337-H339 PolarHBondContact O-N 3.15Å; H339-V341 HydrophobicContact CB-CG2 4.29Å; H339-V341 PolarHBondContact O-N 3.22Å; H339-V341 VanDerWaalsContact O-N 3.15Å
340G60.6Low57.9Low60 Ų60102.1 Ų102.162%0.61956%0.557SS**THydrogen-bonded Turntrans67.213.6173.700000114.4L336 E337 R338L336-G340 PolarHBondContact O-N 3.23Å; L336-G340 VanDerWaalsContact O-N 3.16Å; E337-G340 PolarHBondContact O-N 3.35Å; E337-G340 VanDerWaalsContact O-N 3.16Å; R338-G340 PolarHBondContact O-N 3.3Å
341V68.9Low57.1Low100 Ų100111.6 Ų111.661%0.60659%0.59SS**SBendtrans-73.4-35.9176.5-175.10000109.9L336 H339L336-V341 HydrophobicContact CB-CB 4.12Å; L336-V341 HydrophobicContact CD2-CB 3.79Å; L336-V341 HydrophobicContact CD2-CG1 3.92Å; L336-V341 HydrophobicContact CD2-CG2 3.84Å; L336-V341 PolarHBondContact O-N 3.1Å; H339-V341 HydrophobicContact CB-CG2 4.29Å; H339-V341 PolarHBondContact O-N 3.22Å; H339-V341 VanDerWaalsContact O-N 3.15Å
342I55.6Low55.8Low71 Ų71113 Ų11336%0.36460%0.596SS.*SBendtrans-131.497.1179.3-51.8174.6000107.1L336 E337L336-I342 HydrophobicContact CB-CB 4.4Å; L336-I342 HydrophobicContact CB-CD1 3.73Å; L336-I342 HydrophobicContact CB-CG1 3.92Å; L336-I342 HydrophobicContact CD1-CD1 3.57Å; L336-I342 HydrophobicContact CD1-CG1 4.42Å; L336-I342 HydrophobicContact CG-CD1 4.27Å; L336-I342 PolarHBondContact O-N 2.7Å; E337-I342 VanDerWaalsContact CA-O 3.23Å; E337-I342 WeakPolarHBondContact CA-O 3.29Å; E337-I342 WeakPolarHBondContact CG-O 3.37Å
343G52.4Low54.2Low42 Ų42116.5 Ų116.543%0.43360%0.601SS.*  trans-94.9146.3170.400000110.5S345G343-S345 PolarHBondContact O-N 2.78Å
344P53.3Low52.6Low109 Ų109117.5 Ų117.571%0.70861%0.612SS**SBendtrans-67.5101166.528.9-30.1000107.2G346P344-G346 PolarHBondContact O-N 3.13Å
345S45.1Very low51.2Low132 Ų132117.5 Ų117.592%0.92362%0.619SS**SBendtrans66.811.4169.665.90000119.4G343G343-S345 PolarHBondContact O-N 2.78Å
346G40.5Very low49.6Very low58 Ų58124.8 Ų124.860%0.59865%0.646SS**  trans-94.3110.317600000112.1P344P344-G346 PolarHBondContact O-N 3.13Å
347R40.5Very low47.9Very low230 Ų230129.8 Ų129.887%0.86867%0.666SS**  trans-41.7138.6160.8-80-178.5175.9-163.5-0.4109Q349R347-Q349 PolarHBondContact O-N 3.37Å
348P42.1Very low46.2Very low114 Ų114130.6 Ų130.674%0.7469%0.685SS**  trans-49.6118.6174.819.6-30.2000107.6H350P348-H350 PolarHBondContact O-N 3.45Å
349Q41.9Very low44.8Very low188 Ų188135 Ų13588%0.87970%0.703SS**  trans-66.364.7161.3-76.1-94.3-2000106R347 R351R347-Q349 PolarHBondContact O-N 3.37Å; Q349-R351 PolarHBondContact O-N 3.26Å
350H39.4Very low43.6Very low150 Ų150137 Ų13769%0.69472%0.717SS**  trans-60103.7156.7-148.5-75.5000101.7P348 V352P348-H350 PolarHBondContact O-N 3.45Å; H350-V352 HydrophobicContact CB-CG2 3.95Å; H350-V352 PolarHBondContact O-N 3.07Å
351R36.4Very low42.7Very low237 Ų237142.9 Ų142.989%0.89473%0.729SS**  trans-63.666.5165.8-161.1-175.3-167176.64.7105.5Q349 Q353Q349-R351 PolarHBondContact O-N 3.26Å; R351-Q353 VanDerWaalsContact C-N 3.27Å; R351-Q353 PolarHBondContact O-N 3.37Å
352V39.3Very low41.6Very low92 Ų92144.8 Ų144.856%0.55874%0.736SS**  trans-61.7106.6164.6-178.70000101H350 E354H350-V352 HydrophobicContact CB-CG2 3.95Å; H350-V352 PolarHBondContact O-N 3.07Å; V352-E354 PolarHBondContact O-N 2.82Å
353Q35.2Very low40.9Very low175 Ų175147.5 Ų147.582%0.81876%0.755SS**  trans-44.2103157.4-72.51738.600104.6R351 P355R351-Q353 VanDerWaalsContact C-N 3.27Å; R351-Q353 PolarHBondContact O-N 3.37Å; Q353-P355 WeakPolarHBondContact O-CD 3.38Å
354E35.2Very low40.5Very low178 Ų178149.1 Ų149.183%0.83276%0.758SS**  trans-56.2106.9-179.2-149.1172.5-168.200104.4V352 R356V352-E354 PolarHBondContact O-N 2.82Å; E354-R356 PolarHBondContact O-N 2.86Å; E354-R356 VanDerWaalsContact O-N 3.12Å
355P39.2Very low40Very low79 Ų79151.7 Ų151.751%0.51377%0.766SS.*  trans-61.2126.3175.5-1834.3000103.9Q353 F357Q353-P355 WeakPolarHBondContact O-CD 3.38Å; P355-F357 HydrophobicContact CB-CD2 3.65Å; P355-F357 HydrophobicContact CB-CE2 4.2Å; P355-F357 PolarHBondContact O-N 3.36Å
356R36.9Very low39.9Very low252 Ų252154.8 Ų154.895%0.95176%0.758SS**SBendtrans-60.421.9-180-111-175.9-173149.5-0.2114.7E354 A358E354-R356 PolarHBondContact O-N 2.86Å; E354-R356 VanDerWaalsContact O-N 3.12Å; R356-A358 PolarHBondContact O-N 2.94Å
357F37.9Very low39.8Very low161 Ų161161.6 Ų161.671%0.70677%0.767SS**  trans-84.794172.2-60.4-69.1000106.8P355 Y359P355-F357 HydrophobicContact CB-CD2 3.65Å; P355-F357 HydrophobicContact CB-CE2 4.2Å; P355-F357 PolarHBondContact O-N 3.36Å; F357-Y359 WeakPolarHBondContact O-CD2 3.45Å; F357-Y359 PolarHBondContact O-N 2.71Å
358A37Very low40Very low92 Ų92155.2 Ų155.276%0.7676%0.755SS**  trans-48.8112.8158.100000106.8R356 D360R356-A358 PolarHBondContact O-N 2.94Å; A358-D360 VanDerWaalsContact C-N 3.35Å; A358-D360 PolarHBondContact O-N 3.03Å; A358-D360 VanDerWaalsContact O-N 3.11Å
359Y37.8Very low40.4Very low216 Ų216156.3 Ų156.385%0.84777%0.766SS**  trans-73.398.5167.8-79.7-94000105.5F357 E361F357-Y359 WeakPolarHBondContact O-CD2 3.45Å; F357-Y359 PolarHBondContact O-N 2.71Å; Y359-E361 PolarHBondContact O-N 3.1Å
360D40.1Very low40.5Very low140 Ų140152.5 Ų152.575%0.74976%0.76SS**  trans-56.3123.6157.5-83.6-41.9000106.5A358 D362A358-D360 VanDerWaalsContact C-N 3.35Å; A358-D360 PolarHBondContact O-N 3.03Å; A358-D360 VanDerWaalsContact O-N 3.11Å; D360-D362 PolarHBondContact O-N 2.89Å
361E42.9Very low40.5Very low185 Ų185155.9 Ų155.986%0.86477%0.766SS**SBendtrans-63.78-177.6-78.2-169.1127.300114.1Y359 T363Y359-E361 PolarHBondContact O-N 3.1Å; E361-T363 PolarHBondContact O-N 2.72Å
362D45.3Very low40.9Very low140 Ų140149.9 Ų149.975%0.74976%0.758SS**  trans-76.773.3167.9-73.9-30.8000109.4D360 P364D360-D362 PolarHBondContact O-N 2.89Å; D362-P364 WeakPolarHBondContact O-CD 2.95Å; D362-P364 VanDerWaalsContact O-CG 3.27Å; D362-P364 WeakPolarHBondContact O-CG 3.23Å
363T41.3Very low41.3Very low127 Ų127154.8 Ų154.878%0.77978%0.775SS**  trans-50.3101.9171.1-49.80000108E361 N365E361-T363 PolarHBondContact O-N 2.72Å; T363-N365 PolarHBondContact O-N 2.83Å
364P42.8Very low41.6Very low76 Ų76157.6 Ų157.649%0.49478%0.778SS.*  trans-75.3129.1-176.2-6.624.6000105.7D362 W366D362-P364 WeakPolarHBondContact O-CD 2.95Å; D362-P364 VanDerWaalsContact O-CG 3.27Å; D362-P364 WeakPolarHBondContact O-CG 3.23Å; P364-W366 HydrophobicContact CB-CG 4.41Å; P364-W366 HydrophobicContact CB-CZ2 4.45Å; P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 VanDerWaalsContact CG-NE1 3.31Å; P364-W366 PolarHBondContact O-N 2.87Å
365N42.5Very low41.8Very low164 Ų164159.7 Ų159.788%0.87778%0.779SS**  trans-60.776.1172.8-94.2-29000109.8T363 Y367T363-N365 PolarHBondContact O-N 2.83Å; N365-Y367 PolarHBondContact O-N 2.79Å
366W44.3Very low42.1Very low196 Ų196162 Ų16274%0.74279%0.793SS**  trans-75.5-8.3-178.9-76.3109000112.9P364P364-W366 HydrophobicContact CB-CG 4.41Å; P364-W366 HydrophobicContact CB-CZ2 4.45Å; P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 VanDerWaalsContact CG-NE1 3.31Å; P364-W366 PolarHBondContact O-N 2.87Å
367Y38.7Very low42.5Very low201 Ų201157.6 Ų157.679%0.78878%0.784SS**SBendtrans-131.3106.6-178.7-67.9-79.7000110.7N365 S369N365-Y367 PolarHBondContact O-N 2.79Å; Y367-S369 PolarHBondContact O-N 3.31Å
368P43Very low42.8Very low96 Ų96159.2 Ų159.262%0.62379%0.786SS**  trans-61127.5164.122.8-29.7000108.8S370P368-S370 PolarHBondContact O-N 2.86Å
369S52.1Low43.1Very low138 Ų138163 Ų16397%0.96578%0.782SS**THydrogen-bonded Turntrans-60.44.1-172.9-45.10000115.8Y367Y367-S369 PolarHBondContact O-N 3.31Å
370S44Very low43.6Very low107 Ų107156.8 Ų156.875%0.74877%0.768SS**THydrogen-bonded Turntrans-118.612.1-168.850.10000114.9P368P368-S370 PolarHBondContact O-N 2.86Å
371R38.4Very low44Very low221 Ų221156.3 Ų156.383%0.83477%0.765SS**  trans-92.7122.4176.6-142.5175.7-160.3-174.85.4112.1Q373R371-Q373 PolarHBondContact O-N 2.66Å
372P45.3Very low44.2Very low112 Ų112156 Ų15673%0.72776%0.761SS**  trans-57.7132.5176-19.930.1000110.3R374P372-R374 VanDerWaalsContact C-N 3.3Å; P372-R374 PolarHBondContact O-N 3.31Å
373Q47.4Very low44.1Very low194 Ų194156.8 Ų156.891%0.90776%0.758SS**  trans-56.189.4174-73-173-6.800110.3R371 R375R371-Q373 PolarHBondContact O-N 2.66Å; Q373-R375 PolarHBondContact O-N 2.67Å
374R41.3Very low44.5Very low235 Ų235156.9 Ų156.989%0.88775%0.754SS**  trans-73.3110.3160.5-80.2-165.9-178.9-1681.7106.3P372P372-R374 VanDerWaalsContact C-N 3.3Å; P372-R374 PolarHBondContact O-N 3.31Å
375R39Very low44.8Very low222 Ų222161.4 Ų161.484%0.83877%0.769SS**  trans-50.2141.1172.6-75.3-169.9179.1174.2-0.4109.3Q373 Q377Q373-R375 PolarHBondContact O-N 2.67Å; R375-Q377 PolarHBondContact O-N 3.28Å; R375-Q377 VanDerWaalsContact O-N 3.1Å
376P45.9Very low45Very low126 Ų126163.1 Ų163.182%0.81876%0.764SS**  trans-54.9119.6179.2-20.731000109.6Y378P376-Y378 PolarHBondContact O-N 2.97Å
377Q46.5Very low45.3Very low161 Ų161159.1 Ų159.175%0.75276%0.757SS**  trans-67.2106.4167-89173.1-28.500106.9R375 Y379R375-Q377 PolarHBondContact O-N 3.28Å; R375-Q377 VanDerWaalsContact O-N 3.1Å; Q377-Y379 HydrophobicContact CB-CD2 4.46Å; Q377-Y379 HydrophobicContact CB-CE2 4.27Å; Q377-Y379 PolarHBondContact O-N 2.77Å; Q377-Y379 VanDerWaalsContact O-N 3.1Å
378Y43.2Very low45.7Very low194 Ų194153.7 Ų153.776%0.76174%0.742SS**  trans-67.6103.1175.3-168.3-95000108.1P376 P380P376-Y378 PolarHBondContact O-N 2.97Å; Y378-P380 HydrophobicContact CD1-CB 4.45Å; Y378-P380 HydrophobicContact CE1-CB 4.27Å; Y378-P380 WeakPolarHBondContact O-CD 2.91Å
379Y43.9Very low46.1Very low173 Ų173152.7 Ų152.768%0.67874%0.742SS**  trans-85.6112.8169.3-86.1-91.8000108.4Q377 D381Q377-Y379 HydrophobicContact CB-CD2 4.46Å; Q377-Y379 HydrophobicContact CB-CE2 4.27Å; Q377-Y379 PolarHBondContact O-N 2.77Å; Q377-Y379 VanDerWaalsContact O-N 3.1Å; Y379-D381 PolarHBondContact O-N 3.24Å
380P47.1Very low45.6Very low84 Ų84150.1 Ų150.155%0.54572%0.723SS.*  trans-81.942.3178.935.2-33.9000111.7Y378 K382Y378-P380 HydrophobicContact CD1-CB 4.45Å; Y378-P380 HydrophobicContact CE1-CB 4.27Å; Y378-P380 WeakPolarHBondContact O-CD 2.91Å; P380-K382 VanDerWaalsContact C-N 3.34Å; P380-K382 PolarHBondContact O-N 3.39Å
381D48.9Very low45.8Very low130 Ų130153.2 Ų153.270%0.69572%0.72SS**  trans-86.99.7-168.3-81.4-20.8000115.4Y379Y379-D381 PolarHBondContact O-N 3.24Å
382K46.4Very low46.4Very low180 Ų180152 Ų15278%0.78372%0.715SS**SBendtrans-133.1-1-175.3-64.5-167.7-177.1-1750117.6P380P380-K382 VanDerWaalsContact C-N 3.34Å; P380-K382 PolarHBondContact O-N 3.39Å
383F45.2Very low46.5Very low155 Ų155156.6 Ų156.668%0.6872%0.718SS**SBendtrans-91.2-15.3-179.5-82-80.3000114.9Q385F383-Q385 VanDerWaalsContact C-N 3.27Å; F383-Q385 PolarHBondContact O-N 2.85Å
384D49.2Very low46.6Very low130 Ų130156 Ų15670%0.69571%0.709SS**Hα-helixtrans-74.8-8.1-177.7-75.5-15.7000115.3N388D384-N388 PolarHBondContact O-ND2 3.11Å
385Q49.5Very low46.8Very low171 Ų171155.4 Ų155.480%0.79971%0.706SS**Hα-helixtrans-84.3-27.2178.4-79.8-173.91.600114F383F383-Q385 VanDerWaalsContact C-N 3.27Å; F383-Q385 PolarHBondContact O-N 2.85Å
386Y45.3Very low47.2Very low199 Ų199152.1 Ų152.178%0.7871%0.705SS**Hα-helixtrans-82.8-25.9-174.5-85.6-82.6000114.1
387D50.1Low47.1Very low112 Ų112154.1 Ų154.160%0.59972%0.72SS**Hα-helixtrans-86.2-19.1-179.3-87.4-28.4000114.6A389 C390 Y391D387-A389 VanDerWaalsContact C-N 3.34Å; D387-A389 PolarHBondContact O-N 2.88Å; D387-C390 PolarHBondContact O-N 3.01Å; D387-Y391 PolarHBondContact O-N 2.69Å; D387-Y391 VanDerWaalsContact O-N 3.13Å
388N48.1Very low47.1Very low88 Ų88153.8 Ų153.847%0.47172%0.719SS.*Hα-helixtrans-73.4-23.1-176.6-85.7-54000114.1D384 R392D384-N388 PolarHBondContact O-ND2 3.11Å; N388-R392 WeakPolarHBondContact O-CB 3.27Å; N388-R392 WeakPolarHBondContact O-CG 3.42Å; N388-R392 PolarHBondContact O-N 3.26Å
389A51Low47.3Very low74 Ų74151.6 Ų151.661%0.61272%0.716SS**Hα-helixtrans-71.9-37.9176.700000112.2D387D387-A389 VanDerWaalsContact C-N 3.34Å; D387-A389 PolarHBondContact O-N 2.88Å
390C42Very low47.5Very low85 Ų85150.4 Ų150.457%0.57472%0.718SS**Hα-helixtrans-71.3-44.4173.3-970000111.3D387 R392 R393D387-C390 PolarHBondContact O-N 3.01Å; C390-R392 VanDerWaalsContact C-N 3.34Å; C390-R392 PolarHBondContact O-N 3.27Å; C390-R393 PolarHBondContact O-N 3.22Å
391Y47.7Very low47.5Very low172 Ų172154.4 Ų154.468%0.67573%0.729SS**Hα-helixtrans-64.3-34.3-178.7-96.2-83.8000113.7D387 R393D387-Y391 PolarHBondContact O-N 2.69Å; D387-Y391 VanDerWaalsContact O-N 3.13Å; Y391-R393 PolarHBondContact O-N 3.12Å
392R50.7Low47.4Very low196 Ų196155.9 Ų155.974%0.7473%0.731SS**Hα-helixtrans-69.8-28.6177.6-76.7-171.8-169.4-166.65113.9N388 C390N388-R392 WeakPolarHBondContact O-CB 3.27Å; N388-R392 WeakPolarHBondContact O-CG 3.42Å; N388-R392 PolarHBondContact O-N 3.26Å; C390-R392 VanDerWaalsContact C-N 3.34Å; C390-R392 PolarHBondContact O-N 3.27Å
393R48.2Very low47.5Very low208 Ų208154.3 Ų154.379%0.78573%0.727SS**Hα-helixtrans-71.6-33.5178-87.9-171.4177.7-170.90.4112.8C390 Y391 R395C390-R393 PolarHBondContact O-N 3.22Å; Y391-R393 PolarHBondContact O-N 3.12Å; R393-R395 VanDerWaalsContact C-N 3.34Å; R393-R395 PolarHBondContact O-N 3.24Å
394Y48.5Very low47.7Very low182 Ų182154.2 Ų154.271%0.71473%0.731SS**Hα-helixtrans-80.4-10.5-178.8-81.5-81.9000114.6
395R47Very low47.5Very low222 Ų222156.1 Ų156.184%0.83873%0.733SS**THydrogen-bonded Turntrans-86.9-11.3179.1-140.5-178.9-172.9173.22.7114.2R393R393-R395 VanDerWaalsContact C-N 3.34Å; R393-R395 PolarHBondContact O-N 3.24Å
396N47.1Very low47.4Very low152 Ų152154.8 Ų154.881%0.81373%0.728SS**  trans-11417179.3-71.7-6.9000113
397C42.8Very low47.6Very low168 Ų168150.8 Ų150.8100%1.13572%0.723SS**  trans-1170164.2-65.40000107.4

Retrieved 397 of 397 residues in 527.3 ms (Link to these results)