A0A087X7H1_POEFO Loading...

Death domain-associated protein 6

AlphaFold DB , UniProt , Accession A0A087X7H1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 721 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low39.8Very low243 Ų243139.6 Ų139.6100%1.19785%0.846SS**  0154.70-82.1-174.8165.500108.4
2A35.2Very low39.8Very low93 Ų93142.4 Ų142.477%0.76985%0.849SS**  trans62.2112.5-153.500000111.1
3V37.5Very low39.7Very low150 Ų150143.3 Ų143.391%0.90985%0.845SS**  cis91.713333.1-175.60000112.6
4A39.4Very low39.2Very low83 Ų83141.1 Ų141.169%0.68683%0.833SS**  trans-88.4-173.6-165.600000114.2
5P57.2Low39.1Very low134 Ų134142.9 Ų142.987%0.8784%0.836SS**  -136.8-171.495.439.5-27.4000114.4
6A40.3Very low39.2Very low92 Ų92142.2 Ų142.276%0.7683%0.828SS**  trans-131.2177.8-168.100000113.2
7S41.3Very low39.2Very low103 Ų103142.6 Ų142.672%0.7283%0.826SS**  164.6164.1123.156.20000115
8M33Very low39.2Very low184 Ų184145.3 Ų145.391%0.90683%0.83SS**  trans67.6124.6161.5-54.9-50.3-174.700120.4
9A36.8Very low39.3Very low90 Ų90145.8 Ų145.874%0.74483%0.83SS**  trans-140.1144.5155.700000107.8
10D37Very low39.2Very low162 Ų162146.4 Ų146.487%0.86683%0.831SS**  trans176138.3154.1-99.6-24.7000111.2
11K38Very low39.2Very low202 Ų202146 Ų14688%0.87883%0.826SS**  trans165.5105.3154.9-96.8159.5-175.1176.60111.3
12I40.2Very low38.7Very low173 Ų173141.9 Ų141.989%0.88781%0.809SS**  trans-131.4151.3158.7-63-177.4000106.8
13I37.9Very low38.7Very low154 Ų154144.6 Ų144.679%0.7981%0.81SS**  trans-113145.1-167.3-65172.4000110.3
14V32.7Very low38.5Very low112 Ų112144 Ų14468%0.67981%0.807SS**  trans-95.6151.8178.7177.90000110.5
15L37.2Very low38.1Very low169 Ų169147.6 Ų147.689%0.88581%0.81SS**  trans-138.8127.1160.3-71.4176.3000109.9
16D41.8Very low36.9Very low131 Ų131149.4 Ų149.470%0.70181%0.806SS**  trans-86.3177.9169.2-37.9-50.8000108.6
17D39.3Very low36.3Very low150 Ų150153.7 Ų153.780%0.80280%0.803SS**  cis-167.6162.8-18.1-111.4-16.6000106.1
18E39.5Very low36.2Very low190 Ų190153.9 Ų153.989%0.88880%0.802SS**  trans175.7139135.7-100.4-178.5-175.100113.8
19D40.1Very low36Very low156 Ų156151.7 Ų151.783%0.83479%0.789SS**  trans-51.2158.6-172.7-50.7-48.3000120.4
20D37Very low36.5Very low157 Ų157152.1 Ų152.184%0.8479%0.785SS**  -165.4163.8104.7-144.4-20.6000112.9
21D39.7Very low36.1Very low138 Ų138149.3 Ų149.374%0.73878%0.778SS**  trans-76.3151-161.8-76.9-38000118.3
22N32.3Very low35.6Very low157 Ų157144.8 Ų144.884%0.8477%0.772SS**  174.2157.7107.8-97.7-93000115.3
23D34.1Very low35.1Very low149 Ų149141.1 Ų141.180%0.79776%0.761SS**  trans-76.9155.5-170.4-71.8-76.7000117.8
24V33.3Very low34.7Very low139 Ų139142.7 Ų142.784%0.84277%0.765SS**  178.1147.9103.3155.40000112.1
25E32.6Very low34.7Very low157 Ų157146.1 Ų146.173%0.73477%0.773SS**  trans-52.1166.2178.3-50-172.8136.400115.2
26Q30.3Very low34.3Very low172 Ų172150 Ų15080%0.80478%0.777SS**  cis-166.4156.540.3-146.6161.478.700113.7
27R27.8Very low33.7Very low182 Ų182147.9 Ų147.969%0.68778%0.777SS**  trans-123.7159.9175.3-156167.3178.1-91.2-3.5106.2
28P40.3Very low33.4Very low108 Ų108151.7 Ų151.770%0.70178%0.78SS**  cis-152.2163.731.943.3-21.4000121.5
29Q28.8Very low32.9Very low137 Ų137149 Ų14964%0.6477%0.772SS**  -4.8171.8126.9-88.6-170.9-3.500121.6
30P47.4Very low32.3Very low100 Ų100147.8 Ų147.865%0.64977%0.77SS**  cis-143.3-165.3-15.234.9-11.9000115.7
31S27.2Very low31.8Very low102 Ų102145.2 Ų145.271%0.71376%0.764SS**  trans86.1121.5148.1-64.60000122
32S27.5Very low32Very low108 Ų108144.3 Ų144.376%0.75577%0.766SS**  58.7151.9108.91100000120.3
33S29.9Very low32.4Very low96 Ų96142.1 Ų142.167%0.67176%0.76SS**  cis-169.3175.7-1.8330000111.9
34E30.4Very low32.1Very low187 Ų187144.8 Ų144.887%0.87477%0.765SS**  trans82.9156.9158.2-60.8-159.4124.300121.7
35H32.5Very low32Very low183 Ų183145.4 Ų145.485%0.84776%0.763SS**  trans-94.5153.5-161.6-50.5-100.4000114.7
36R28.8Very low31.8Very low252 Ų252146 Ų14695%0.95177%0.766SS**  -156.8158.5126.4-135.2172.1-179.2171.30.8113.1
37A29.8Very low31.7Very low86 Ų86145.9 Ų145.971%0.71177%0.765SS**  trans-129.4177.2179.300000111.5
38R32.6Very low32Very low229 Ų229143.8 Ų143.886%0.86477%0.767SS**  trans99140.6-173.5-63.1-179.2174.5-176.4-2.4113.4
39N28.1Very low31.4Very low133 Ų133144.7 Ų144.771%0.71177%0.77SS**  cis-166.7164.4-4.1-116.88.4000113.1
40V27.6Very low31.8Very low131 Ų131144.9 Ų144.979%0.79477%0.771SS**  trans77.9146.3154.6170.90000119
41S27.9Very low30.9Very low104 Ų104146 Ų14673%0.72778%0.776SS**  trans-135.5-157.7-175.9-26.70000108.7
42P43.1Very low31.5Very low118 Ų118148.7 Ų148.777%0.76678%0.777SS**  -111.6-131.6-58.839.7-22.7000107.4
43P41Very low31.7Very low111 Ų111150.2 Ų150.272%0.72178%0.776SS**  cis-125-175.3-37.940.2-25.8000113
44K27.1Very low32.4Very low205 Ų205152.3 Ų152.389%0.89178%0.784SS**  trans-156.5145.3133.7-120174.2-177.6-177.60112.5
45N30.4Very low32.7Very low153 Ų153149.9 Ų149.982%0.81877%0.773SS**  trans-153.5134.1-177.1-178.715000108.1
46Q30.1Very low32.9Very low170 Ų170144.6 Ų144.679%0.79476%0.757SS**  trans169.8145.5174.2-100.8160.66.400108.5
47H27.8Very low33.5Very low169 Ų169137.3 Ų137.378%0.78274%0.742SS**  cis-157.1162.3-20.8-160.1-94.9000109.9
48L34.3Very low34Very low137 Ų137142 Ų14272%0.71775%0.747SS**  trans-72.8141169.8-17774.2000111.5
49V26.8Very low34.3Very low128 Ų128134 Ų13478%0.77673%0.726SS**  trans-137.4131.6155.2-177.90000109.4
50Q38.2Very low35.5Very low140 Ų140130.5 Ų130.565%0.65471%0.712SS**  trans-98.3136177.1165.7-176.5-24.200109.3H52Q50-H52 PolarHBondContact NE2-CE1 3.49Å; Q50-H52 PolarHBondContact NE2-NE2 3.08Å
51T28.6Very low36.6Very low124 Ų124127.3 Ų127.376%0.76170%0.699SS**  trans-138.5146.4167.549.10000110.5
52H39.5Very low38.1Very low159 Ų159130 Ų13074%0.73670%0.698SS**  trans-105.9127.2-176.8-60.4-111.2000109.5Q50Q50-H52 PolarHBondContact NE2-CE1 3.49Å; Q50-H52 PolarHBondContact NE2-NE2 3.08Å
53I32.2Very low39.3Very low140 Ų140130.2 Ų130.272%0.71869%0.687SS**  trans-137.4127.7167-61.6-176.4000109.1Q55I53-Q55 HydrophobicContact CG2-CG 4.23Å
54T44.6Very low40.7Very low140 Ų140129.7 Ų129.786%0.85968%0.677SS**  trans-80.9125.3172.940.20000110.7
55Q35.2Very low42.9Very low135 Ų135122 Ų12263%0.63165%0.652SS**  trans-139.2138.7167-69.6-164.31.400111.5I53I53-Q55 HydrophobicContact CG2-CG 4.23Å
56S36.6Very low45.3Very low73 Ų73121.2 Ų121.251%0.5164%0.641SS.*  trans-66.9141.3-179.8168.40000112.4F58 S59S56-F58 PolarHBondContact O-N 3.49Å; S56-F58 VanDerWaalsContact O-N 3.14Å; S56-S59 PolarHBondContact O-N 3.47Å; S56-S59 VanDerWaalsContact O-N 3.07Å
57P41.7Very low47.9Very low99 Ų99116.1 Ų116.164%0.64363%0.628SS**THydrogen-bonded Turntrans-60.3-27.6-174.222.8-34.2000114.2S59 S60P57-S59 PolarHBondContact O-N 3.02Å; P57-S59 VanDerWaalsContact O-N 3.15Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 2.94Å; P57-S60 VanDerWaalsContact O-N 3.08Å; P57-S60 PolarHBondContact O-OG 2.98Å
58F40.8Very low50.8Low185 Ų185109.5 Ų109.581%0.81160%0.598SS**Hα-helixtrans-64-17.7177.4-83.4-88.2000114.1S56 S60S56-F58 PolarHBondContact O-N 3.49Å; S56-F58 VanDerWaalsContact O-N 3.14Å; F58-S60 VanDerWaalsContact C-N 3.34Å
59S38.1Very low53.4Low60 Ų60107.7 Ų107.742%0.4259%0.586SS.*Hα-helixtrans-80.4-10.6175.2-680000114.2S56 P57 K63S56-S59 PolarHBondContact O-N 3.47Å; S56-S59 VanDerWaalsContact O-N 3.07Å; P57-S59 PolarHBondContact O-N 3.02Å; P57-S59 VanDerWaalsContact O-N 3.15Å; S59-K63 WeakPolarHBondContact O-CD 3.48Å; S59-K63 WeakPolarHBondContact O-CE 3.19Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å
60S53.2Low56.5Low59 Ų59106.5 Ų106.541%0.41358%0.579SS.*Hα-helixtrans-83.7-47.4-176.866.80000112.7P57 F58 K62 K63 I64P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 2.94Å; P57-S60 VanDerWaalsContact O-N 3.08Å; P57-S60 PolarHBondContact O-OG 2.98Å; F58-S60 VanDerWaalsContact C-N 3.34Å; S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.28Å; S60-K63 WeakPolarHBondContact O-CA 3.41Å; S60-K63 WeakPolarHBondContact O-CB 3.32Å; S60-K63 PolarHBondContact O-N 2.94Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.24Å
61A51.8Low59Low64 Ų64103.8 Ų103.853%0.52957%0.566SS.*Hα-helixtrans-55.9-43.4-176.200000112.9K63 I64 A65A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.38Å; A61-I64 PolarHBondContact O-N 3.46Å; A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 3Å
62K59.5Low62.2Low162 Ų16298 Ų9870%0.70453%0.53SS*.Hα-helixtrans-71.4-19.7178.2-158.2168.1-173.6172.80113.4S60 K66S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.28Å; K62-K66 WeakPolarHBondContact O-CG 3.36Å
63K67.6Low64.8Low122 Ų12294 Ų9453%0.5351%0.512SS..Hα-helixtrans-80-42.7168.9-65.7172.6-173.2174.90110.7S59 S60 A61 K66 A67S59-K63 WeakPolarHBondContact O-CD 3.48Å; S59-K63 WeakPolarHBondContact O-CE 3.19Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å; S60-K63 WeakPolarHBondContact O-CA 3.41Å; S60-K63 WeakPolarHBondContact O-CB 3.32Å; S60-K63 PolarHBondContact O-N 2.94Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 3.38Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.18Å
64I70.8Confident67.8Low100 Ų10094.2 Ų94.251%0.51351%0.508SS..Hα-helixtrans-63.6-46.7178.8-66.1163.7000111.3S60 A61 K66 A67 L68S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.24Å; A61-I64 PolarHBondContact O-N 3.46Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.92Å; I64-A67 PolarHBondContact O-N 3.09Å; I64-A67 VanDerWaalsContact O-N 3.13Å; I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 PolarHBondContact O-N 3.39Å
65A73.6Confident70.3Confident44 Ų4489.3 Ų89.336%0.36448%0.476SS..Hα-helixtrans-60-40.9177.200000112.4A61 Q69A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 3Å; A65-Q69 WeakPolarHBondContact O-CB 3.36Å; A65-Q69 PolarHBondContact O-N 3.1Å
66K79.7Confident73.2Confident135 Ų13583.1 Ų83.159%0.58745%0.447SS*.Hα-helixtrans-66.8-37.9173.9-76.5-173.7172.6-165.50112.7K62 K63 I64 Q69 V70K62-K66 WeakPolarHBondContact O-CG 3.36Å; K63-K66 PolarHBondContact O-N 3.49Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.92Å; K66-Q69 PolarHBondContact O-N 3.05Å; K66-V70 WeakPolarHBondContact O-CG2 3.44Å; K66-V70 PolarHBondContact O-N 2.91Å; K66-V70 VanDerWaalsContact O-N 3.16Å
67A84.9Confident76Confident64 Ų6483.4 Ų83.453%0.52944%0.443SS..Hα-helixtrans-65-46.7176.400000111.6K63 I64 Q69 V70 E71K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 3.18Å; I64-A67 PolarHBondContact O-N 3.09Å; I64-A67 VanDerWaalsContact O-N 3.13Å; A67-Q69 PolarHBondContact O-N 3.4Å; A67-V70 PolarHBondContact O-N 3.42Å; A67-E71 PolarHBondContact O-N 2.84Å
68L88.8Confident78.6Confident30 Ų3082.1 Ų82.116%0.15743%0.429CS..Hα-helixtrans-62.2-40.3174.5-74.1170.3000112I64 V70 E71 N72 V112I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 PolarHBondContact O-N 3.39Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.33Å; L68-E71 PolarHBondContact O-N 3.01Å; L68-N72 VanDerWaalsContact O-CB 3.24Å; L68-N72 WeakPolarHBondContact O-CB 3.14Å; L68-N72 PolarHBondContact O-N 3.48Å; L68-N72 PolarHBondContact O-OD1 3.5Å; L68-V112 HydrophobicContact CD1-CG2 3.97Å; L68-V112 HydrophobicContact CD2-CG2 4.29Å
69Q89.4Confident81.2Confident98 Ų9873.3 Ų73.346%0.45839%0.39SS..Hα-helixtrans-58.1-43.4175.6-170.617916.700112.3A65 K66 A67 Q73A65-Q69 WeakPolarHBondContact O-CB 3.36Å; A65-Q69 PolarHBondContact O-N 3.1Å; K66-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q73 WeakPolarHBondContact O-CB 3.42Å; Q69-Q73 PolarHBondContact O-N 2.98Å
70V91.1Very high83.9Confident104 Ų10471.2 Ų71.263%0.6337%0.374SS*.Hα-helixtrans-71.2-39.5178.51730000111.6K66 A67 L68 K74K66-V70 WeakPolarHBondContact O-CG2 3.44Å; K66-V70 PolarHBondContact O-N 2.91Å; K66-V70 VanDerWaalsContact O-N 3.16Å; A67-V70 PolarHBondContact O-N 3.42Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.33Å; V70-K74 WeakPolarHBondContact O-CB 3.44Å; V70-K74 PolarHBondContact O-N 2.87Å; V70-K74 VanDerWaalsContact O-N 3.07Å
71E92.4Very high85.9Confident83 Ų8375.3 Ų75.339%0.38839%0.387SS..Hα-helixtrans-62.4-47174.4-173.7179-140.600111.6A67 L68 K74 L75 R115A67-E71 PolarHBondContact O-N 2.84Å; L68-E71 PolarHBondContact O-N 3.01Å; E71-K74 PolarHBondContact O-N 3.03Å; E71-L75 HydrophobicContact CG-CD1 4.15Å; E71-L75 WeakPolarHBondContact O-CG 3.47Å; E71-L75 PolarHBondContact O-N 3.28Å; E71-R115 IonicContact OE1-NH1 3.07Å; E71-R115 WeakPolarHBondContact OE2-CD 3.28Å; E71-R115 IonicContact OE2-CZ 3.18Å; E71-R115 IonicContact OE2-NE 2.69Å; E71-R115 IonicContact OE2-NH1 2.66Å; E71-R115 PolarHBondContact OE2-NH1 3.49Å
72N95.3Very high87.8Confident1 Ų174.3 Ų74.31%0.00537%0.371CS..Hα-helixtrans-64.1-44.2179.7-71.70.7000112.2L68 L75 F76 L109 S111 F114 R115L68-N72 VanDerWaalsContact O-CB 3.24Å; L68-N72 WeakPolarHBondContact O-CB 3.14Å; L68-N72 PolarHBondContact O-N 3.48Å; L68-N72 PolarHBondContact O-OD1 3.5Å; N72-L75 PolarHBondContact O-N 3.29Å; N72-F76 WeakPolarHBondContact O-CB 3.14Å; N72-F76 PolarHBondContact O-N 3.41Å; N72-L109 PolarHBondContact ND2-O 3.43Å; N72-S111 PolarHBondContact ND2-O 2.87Å; N72-F114 HydrophobicContact CB-CD1 3.98Å; N72-F114 HydrophobicContact CB-CE1 4.12Å; N72-R115 WeakPolarHBondContact OD1-CB 3.28Å; N72-R115 WeakPolarHBondContact OD1-CD 3.42Å; N72-R115 WeakPolarHBondContact OD1-CG 3.43Å
73Q94.8Very high89.4Confident75 Ų7566.6 Ų66.635%0.3534%0.338SS..Hα-helixtrans-61.3-45.8175.8-178.259.360.100110.9Q69 L75 F76 D77 H101Q69-Q73 WeakPolarHBondContact O-CB 3.42Å; Q69-Q73 PolarHBondContact O-N 2.98Å; Q73-L75 PolarHBondContact O-N 3.42Å; Q73-F76 WeakPolarHBondContact O-CB 3.4Å; Q73-F76 PolarHBondContact O-N 3.31Å; Q73-F76 VanDerWaalsContact O-N 3.07Å; Q73-D77 VanDerWaalsContact NE2-CG 3.28Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 PolarHBondContact NE2-OD2 2.8Å; Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 3.45Å; Q73-H101 PolarHBondContact OE1-CE1 2.79Å
74K95Very high90.6Very high145 Ų14563.8 Ų63.863%0.6333%0.331SS*.Hα-helixtrans-59.2-44.7177-174.7-165.6170-159.70112.1V70 E71 F76 D77 E78V70-K74 WeakPolarHBondContact O-CB 3.44Å; V70-K74 PolarHBondContact O-N 2.87Å; V70-K74 VanDerWaalsContact O-N 3.07Å; E71-K74 PolarHBondContact O-N 3.03Å; K74-F76 VanDerWaalsContact C-N 3.26Å; K74-F76 PolarHBondContact O-N 2.89Å; K74-D77 PolarHBondContact O-N 3.13Å; K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 PolarHBondContact O-N 3.43Å
75L95.3Very high91.5Very high38 Ų3862.6 Ų62.620%0.19933%0.329CS..Hα-helixtrans-64.9-29.9176.3-73.1167.8000112.5E71 N72 Q73 F79 R115 L118 L122E71-L75 HydrophobicContact CG-CD1 4.15Å; E71-L75 WeakPolarHBondContact O-CG 3.47Å; E71-L75 PolarHBondContact O-N 3.28Å; N72-L75 PolarHBondContact O-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.42Å; L75-F79 WeakPolarHBondContact O-CB 3.17Å; L75-F79 PolarHBondContact O-N 2.79Å; L75-R115 HydrophobicContact CD1-CG 3.72Å; L75-L118 HydrophobicContact CB-CD2 3.72Å; L75-L118 HydrophobicContact CB-CG 4.25Å; L75-L122 HydrophobicContact CD2-CD2 4.42Å
76F97.1Very high92.2Very high4 Ų463.4 Ų63.42%0.01833%0.326CS..Hα-helixtrans-73.5-42.1177.3-179.5-96.5000110.9N72 Q73 K74 E78 F79 V80 L97 Q98 H101 F114 L118 L139 L143N72-F76 WeakPolarHBondContact O-CB 3.14Å; N72-F76 PolarHBondContact O-N 3.41Å; Q73-F76 WeakPolarHBondContact O-CB 3.4Å; Q73-F76 PolarHBondContact O-N 3.31Å; Q73-F76 VanDerWaalsContact O-N 3.07Å; K74-F76 VanDerWaalsContact C-N 3.26Å; K74-F76 PolarHBondContact O-N 2.89Å; F76-E78 VanDerWaalsContact C-N 3.34Å; F76-F79 PolarHBondContact O-N 2.67Å; F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CE1-CG2 3.84Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.96Å; F76-L97 HydrophobicContact CE2-CD1 4.2Å; F76-L97 HydrophobicContact CE2-CD2 4.28Å; F76-L97 HydrophobicContact CE2-CG 4.02Å; F76-L97 HydrophobicContact CZ-CD2 4.37Å; F76-L97 HydrophobicContact CZ-CG 3.98Å; F76-Q98 HydrophobicContact CE1-CG 4.34Å; F76-H101 AromaticContact CD2-CD2 3.6Å; F76-H101 HydrophobicContact CE1-CB 3.99Å; F76-H101 AromaticContact CE1-CG 3.79Å; F76-H101 HydrophobicContact CE2-CB 3.93Å; F76-H101 AromaticContact CE2-CD2 3.63Å; F76-H101 AromaticContact CE2-CG 3.89Å; F76-H101 AromaticContact CG-CD2 3.83Å; F76-H101 AromaticContact CG-NE2 3.85Å; F76-H101 HydrophobicContact CZ-CB 3.5Å; F76-H101 AromaticContact CZ-CD2 3.88Å; F76-H101 AromaticContact CZ-CG 3.66Å; F76-F114 HydrophobicContact CD2-CZ 4.1Å; F76-L118 HydrophobicContact CB-CD2 3.96Å; F76-L118 HydrophobicContact CD2-CD1 4.25Å; F76-L139 HydrophobicContact CD2-CD2 4.47Å; F76-L139 HydrophobicContact CE2-CD2 4.33Å; F76-L143 HydrophobicContact CE2-CD1 4.32Å
77D95.6Very high92.7Very high79 Ų7957.1 Ų57.142%0.42230%0.298SS..Hα-helixtrans-64.7-39.1174.5-60.9-33.9000111.2Q73 K74 V80 Q81Q73-D77 VanDerWaalsContact NE2-CG 3.28Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 PolarHBondContact NE2-OD2 2.8Å; Q73-D77 VanDerWaalsContact O-CG 3.29Å; Q73-D77 PolarHBondContact O-N 3.45Å; K74-D77 PolarHBondContact O-N 3.13Å; D77-V80 PolarHBondContact O-N 3.45Å; D77-Q81 VanDerWaalsContact O-CB 3.3Å; D77-Q81 WeakPolarHBondContact O-CB 3.25Å; D77-Q81 PolarHBondContact O-N 3Å
78E95.2Very high92.7Very high73 Ų7359.7 Ų59.734%0.34130%0.303SS..Hα-helixtrans-62.2-41.6172.4-170.8175.2151.800112.1K74 F76 Q81 H82 L122K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 PolarHBondContact O-N 3.43Å; F76-E78 VanDerWaalsContact C-N 3.34Å; E78-Q81 PolarHBondContact O-N 3.21Å; E78-H82 WeakPolarHBondContact O-CB 3.27Å; E78-H82 PolarHBondContact O-N 3.49Å; E78-L122 HydrophobicContact CG-CD2 4.25Å
79F95.9Very high92.5Very high0 Ų065.8 Ų65.80%034%0.336CS..Hα-helixtrans-64.8-43.7174.4-178.2-96.9000112.9L75 F76 Q81 H82 C83 L97 L118 C121 L122 A125 I136 L139L75-F79 WeakPolarHBondContact O-CB 3.17Å; L75-F79 PolarHBondContact O-N 2.79Å; F76-F79 PolarHBondContact O-N 2.67Å; F79-Q81 VanDerWaalsContact C-N 3.34Å; F79-H82 PolarHBondContact O-N 3.31Å; F79-C83 VanDerWaalsContact CZ-SG 3.59Å; F79-C83 WeakPolarHBondContact O-CB 3.49Å; F79-C83 PolarHBondContact O-N 2.93Å; F79-C83 PolarHBondContact O-SG 3.03Å; F79-L97 HydrophobicContact CD1-CD2 3.98Å; F79-L97 HydrophobicContact CE1-CD2 3.79Å; F79-L118 HydrophobicContact CB-CD1 3.91Å; F79-L118 HydrophobicContact CG-CD1 4.14Å; F79-C121 HydrophobicContact CD2-CB 4.38Å; F79-C121 HydrophobicContact CE2-CB 3.78Å; F79-C121 HydrophobicContact CZ-CB 4.21Å; F79-L122 HydrophobicContact CB-CD1 4.39Å; F79-L122 HydrophobicContact CD2-CB 4.01Å; F79-L122 HydrophobicContact CD2-CD1 4.15Å; F79-A125 HydrophobicContact CE2-CB 4.07Å; F79-I136 HydrophobicContact CE1-CG1 4.07Å; F79-I136 HydrophobicContact CZ-CG1 4.11Å; F79-L139 HydrophobicContact CD1-CD2 3.58Å; F79-L139 HydrophobicContact CE1-CD2 3.48Å; F79-L139 VanDerWaalsContact CE1-CD2 3.48Å; F79-L139 HydrophobicContact CG-CD2 4.3Å; F79-L139 HydrophobicContact CZ-CD2 4.12Å
80V95.2Very high92.3Very high15 Ų1563 Ų639%0.09133%0.327CS..Hα-helixtrans-63.5-41.2175172.70000110.6F76 D77 C83 T84 L94 L97F76-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CE1-CG2 3.84Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.96Å; D77-V80 PolarHBondContact O-N 3.45Å; V80-C83 PolarHBondContact O-N 2.84Å; V80-T84 PolarHBondContact O-N 3.26Å; V80-T84 PolarHBondContact O-OG1 3.15Å; V80-L94 HydrophobicContact CG1-CD1 4.34Å; V80-L97 HydrophobicContact CG2-CD2 4.12Å
81Q94.3Very high92.1Very high145 Ų14561.4 Ų61.468%0.67832%0.319SS*.Hα-helixtrans-62.4-45.5176.4-172.7176.810.700111.7D77 E78 F79 C83 T84 P85D77-Q81 VanDerWaalsContact O-CB 3.3Å; D77-Q81 WeakPolarHBondContact O-CB 3.25Å; D77-Q81 PolarHBondContact O-N 3Å; E78-Q81 PolarHBondContact O-N 3.21Å; F79-Q81 VanDerWaalsContact C-N 3.34Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.92Å; Q81-T84 WeakPolarHBondContact O-CB 3.4Å; Q81-T84 PolarHBondContact O-N 3.34Å; Q81-P85 VanDerWaalsContact O-CD 3.25Å; Q81-P85 WeakPolarHBondContact O-CD 3.3Å
82H92.7Very high92Very high44 Ų4463.3 Ų63.320%0.20433%0.328CS..Hα-helixtrans-64.3-35.2175.2-177.374.3000113E78 F79 H86 L122 A125 Q126E78-H82 WeakPolarHBondContact O-CB 3.27Å; E78-H82 PolarHBondContact O-N 3.49Å; F79-H82 PolarHBondContact O-N 3.31Å; H82-H86 PolarHBondContact O-CE1 3.04Å; H82-H86 PolarHBondContact O-ND1 3.4Å; H82-L122 HydrophobicContact CB-CD1 4.25Å; H82-A125 PolarHBondContact NE2-O 2.76Å; H82-Q126 PolarHBondContact NE2-N 2.85Å
83C92.4Very high91.9Very high0 Ų065.3 Ų65.30%034%0.34CS..Hα-helixtrans-75.2-24.6176.9-67.20000113.9F79 V80 Q81 H86 T87 L94 T132 I136F79-C83 VanDerWaalsContact CZ-SG 3.59Å; F79-C83 WeakPolarHBondContact O-CB 3.49Å; F79-C83 PolarHBondContact O-N 2.93Å; F79-C83 PolarHBondContact O-SG 3.03Å; V80-C83 PolarHBondContact O-N 2.84Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.92Å; C83-H86 CarbonylContact O-C 3.56Å; C83-H86 PolarHBondContact O-N 2.85Å; C83-H86 VanDerWaalsContact O-N 3.08Å; C83-T87 WeakPolarHBondContact O-CG2 3.12Å; C83-T87 PolarHBondContact O-N 3.3Å; C83-T87 VanDerWaalsContact O-N 3.16Å; C83-T87 PolarHBondContact O-OG1 3.42Å; C83-L94 HydrophobicContact CB-CD2 3.72Å; C83-T132 HydrophobicContact CB-CG2 4.11Å; C83-I136 HydrophobicContact CB-CD1 3.94Å; C83-I136 HydrophobicContact CB-CG1 4.36Å
84T93Very high91.8Very high63 Ų6362.5 Ų62.539%0.38733%0.327SS..G310 helixtrans-53.4-57.5-176-63.10000113.9V80 Q81 H86 T87V80-T84 PolarHBondContact O-N 3.26Å; V80-T84 PolarHBondContact O-OG1 3.15Å; Q81-T84 WeakPolarHBondContact O-CB 3.4Å; Q81-T84 PolarHBondContact O-N 3.34Å; T84-H86 PolarHBondContact O-N 2.87Å; T84-T87 PolarHBondContact O-N 2.93Å; T84-T87 VanDerWaalsContact O-N 3.13Å; T84-T87 PolarHBondContact O-OG1 3.19Å
85P90.3Very high91.6Very high74 Ų7459.4 Ų59.448%0.48132%0.32SS..G310 helixtrans-65.8-11-18027.8-36.2000114.1Q81 N88Q81-P85 VanDerWaalsContact O-CD 3.25Å; Q81-P85 WeakPolarHBondContact O-CD 3.3Å; P85-N88 PolarHBondContact O-ND2 3.47Å
86H88.4Confident91.5Very high61 Ų6162.5 Ų62.528%0.28233%0.333SS..G310 helixtrans-104.83.6-178.9-53119.3000113H82 C83 T84 V129 T132H82-H86 PolarHBondContact O-CE1 3.04Å; H82-H86 PolarHBondContact O-ND1 3.4Å; C83-H86 CarbonylContact O-C 3.56Å; C83-H86 PolarHBondContact O-N 2.85Å; C83-H86 VanDerWaalsContact O-N 3.08Å; T84-H86 PolarHBondContact O-N 2.87Å; H86-V129 WeakPolarHBondContact CD2-CG1 3.36Å; H86-V129 WeakPolarHBondContact NE2-CG1 3.43Å; H86-T132 HydrophobicContact CB-CG2 4.07Å
87T88.9Confident91.4Very high3 Ų362.3 Ų62.32%0.01833%0.332CS..  trans-125.914-178.748.20000113.2C83 T84 D89 C90 L94 F133 I136C83-T87 WeakPolarHBondContact O-CG2 3.12Å; C83-T87 PolarHBondContact O-N 3.3Å; C83-T87 VanDerWaalsContact O-N 3.16Å; C83-T87 PolarHBondContact O-OG1 3.42Å; T84-T87 PolarHBondContact O-N 2.93Å; T84-T87 VanDerWaalsContact O-N 3.13Å; T84-T87 PolarHBondContact O-OG1 3.19Å; T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.11Å; T87-C90 CarbonylContact O-C 3.44Å; T87-C90 PolarHBondContact O-N 2.88Å; T87-L94 HydrophobicContact CG2-CD2 4.38Å; T87-L94 HydrophobicContact CG2-CG 4.43Å; T87-L94 WeakPolarHBondContact OG1-CD1 3.34Å; T87-F133 HydrophobicContact CG2-CD1 4.49Å; T87-F133 HydrophobicContact CG2-CE1 3.76Å; T87-F133 HydrophobicContact CG2-CZ 3.97Å; T87-I136 HydrophobicContact CG2-CD1 3.67Å
88N84.9Confident91.3Very high118 Ų11863 Ų6363%0.63133%0.333SS*.THydrogen-bonded Turntrans-53.2-32.2-179.5-68.5-41.7000114.2P85 C90P85-N88 PolarHBondContact O-ND2 3.47Å; N88-C90 VanDerWaalsContact C-N 3.31Å; N88-C90 PolarHBondContact O-N 3.25Å
89D84.9Confident91.2Very high159 Ų15962.2 Ų62.285%0.8533%0.333SS*.THydrogen-bonded Turntrans-76.6-14.3-179.5-56.7-55.2000113.8T87T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.11Å
90C85.1Confident91Very high38 Ų3864.6 Ų64.626%0.25734%0.343SS..  trans-16071178.855.60000111.6T87 N88 E92 V93 F133T87-C90 CarbonylContact O-C 3.44Å; T87-C90 PolarHBondContact O-N 2.88Å; N88-C90 VanDerWaalsContact C-N 3.31Å; N88-C90 PolarHBondContact O-N 3.25Å; C90-E92 VanDerWaalsContact CA-OE2 3.26Å; C90-E92 WeakPolarHBondContact CA-OE2 3.35Å; C90-E92 PolarHBondContact O-N 3.16Å; C90-E92 VanDerWaalsContact O-N 3.11Å; C90-V93 HydrophobicContact CB-CG2 4.33Å; C90-V93 WeakPolarHBondContact O-CB 3.35Å; C90-V93 WeakPolarHBondContact O-CG2 3.28Å; C90-V93 PolarHBondContact O-N 3.2Å; C90-V93 VanDerWaalsContact O-N 3.15Å; C90-F133 WeakPolarHBondContact SG-CE1 3.48Å
91P87.3Confident90.9Very high71 Ų7164.8 Ų64.846%0.46134%0.343SS..THydrogen-bonded Turntrans-63.4-16.6-176.527.3-36.1000113.7V93 L94 T95P91-V93 PolarHBondContact O-N 2.78Å; P91-V93 VanDerWaalsContact O-N 3.13Å; P91-L94 PolarHBondContact O-N 3.2Å; P91-T95 PolarHBondContact O-N 3.08Å
92E90.6Very high90.8Very high124 Ų12462.1 Ų62.158%0.57934%0.34SS*.Hα-helixtrans-55.4-29.2173.4-57.781.6179.200111.9C90 L94 T95 F96C90-E92 VanDerWaalsContact CA-OE2 3.26Å; C90-E92 WeakPolarHBondContact CA-OE2 3.35Å; C90-E92 PolarHBondContact O-N 3.16Å; C90-E92 VanDerWaalsContact O-N 3.11Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 2.93Å; E92-T95 PolarHBondContact O-N 3.37Å; E92-T95 PolarHBondContact O-OG1 3.48Å; E92-F96 WeakPolarHBondContact O-CB 3.23Å; E92-F96 PolarHBondContact O-N 2.79Å
93V92.3Very high90.8Very high42 Ų4266 Ų6626%0.25536%0.357SS..Hα-helixtrans-59.6-36.7176.9172.70000112C90 P91 L97 F133 I136C90-V93 HydrophobicContact CB-CG2 4.33Å; C90-V93 WeakPolarHBondContact O-CB 3.35Å; C90-V93 WeakPolarHBondContact O-CG2 3.28Å; C90-V93 PolarHBondContact O-N 3.2Å; C90-V93 VanDerWaalsContact O-N 3.15Å; P91-V93 PolarHBondContact O-N 2.78Å; P91-V93 VanDerWaalsContact O-N 3.13Å; V93-L97 PolarHBondContact O-N 2.8Å; V93-F133 HydrophobicContact CB-CE1 4.49Å; V93-F133 HydrophobicContact CG1-CD1 4.24Å; V93-F133 HydrophobicContact CG1-CE1 4.32Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å; V93-I136 HydrophobicContact CG1-CB 4.42Å; V93-I136 HydrophobicContact CG1-CD1 4.04Å; V93-I136 HydrophobicContact CG1-CG2 3.68Å
94L92.6Very high90.9Very high16 Ų1666.4 Ų66.48%0.08436%0.36CS..Hα-helixtrans-76.2-38.2176-63.7-175.1000112.2V80 C83 T87 P91 E92 F96 L97 Q98 I136V80-L94 HydrophobicContact CG1-CD1 4.34Å; C83-L94 HydrophobicContact CB-CD2 3.72Å; T87-L94 HydrophobicContact CG2-CD2 4.38Å; T87-L94 HydrophobicContact CG2-CG 4.43Å; T87-L94 WeakPolarHBondContact OG1-CD1 3.34Å; P91-L94 PolarHBondContact O-N 3.2Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 2.93Å; L94-F96 PolarHBondContact O-N 3.03Å; L94-L97 HydrophobicContact CD2-CD2 4.49Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.91Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 2.81Å; L94-I136 HydrophobicContact CD2-CD1 4.19Å
95T91.1Very high90.8Very high80 Ų8065 Ų6549%0.49135%0.352SS..Hα-helixtrans-63.7-34.5173.974.20000111.4P91 E92 T99P91-T95 PolarHBondContact O-N 3.08Å; E92-T95 PolarHBondContact O-N 3.37Å; E92-T95 PolarHBondContact O-OG1 3.48Å; T95-T99 VanDerWaalsContact O-CB 3.25Å; T95-T99 WeakPolarHBondContact O-CB 3.16Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.28Å
96F93.1Very high90.8Very high104 Ų10465.4 Ų65.446%0.45636%0.355SS..Hα-helixtrans-67-43.5173.1-177.4-96.6000111.7E92 L94 T99 K100 C140E92-F96 WeakPolarHBondContact O-CB 3.23Å; E92-F96 PolarHBondContact O-N 2.79Å; L94-F96 PolarHBondContact O-N 3.03Å; F96-T99 CarbonylContact O-C 3.6Å; F96-T99 WeakPolarHBondContact O-CA 3.48Å; F96-T99 WeakPolarHBondContact O-CB 3.42Å; F96-T99 PolarHBondContact O-N 2.76Å; F96-T99 VanDerWaalsContact O-N 3.17Å; F96-K100 HydrophobicContact CD1-CG 4.37Å; F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 HydrophobicContact CE1-CG 4.24Å; F96-K100 WeakPolarHBondContact O-CG 3.16Å; F96-K100 PolarHBondContact O-N 2.78Å; F96-C140 HydrophobicContact CE1-CB 4.29Å
97L95.1Very high90.8Very high0 Ų068.9 Ų68.90%038%0.375CS..Hα-helixtrans-60.2-47.9174.8176.164.5000111.7F76 F79 V80 V93 L94 T99 K100 H101 I136 L139 C140 L143F76-L97 HydrophobicContact CE2-CD1 4.2Å; F76-L97 HydrophobicContact CE2-CD2 4.28Å; F76-L97 HydrophobicContact CE2-CG 4.02Å; F76-L97 HydrophobicContact CZ-CD2 4.37Å; F76-L97 HydrophobicContact CZ-CG 3.98Å; F79-L97 HydrophobicContact CD1-CD2 3.98Å; F79-L97 HydrophobicContact CE1-CD2 3.79Å; V80-L97 HydrophobicContact CG2-CD2 4.12Å; V93-L97 PolarHBondContact O-N 2.8Å; L94-L97 HydrophobicContact CD2-CD2 4.49Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.91Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.22Å; L97-K100 WeakPolarHBondContact O-CA 3.4Å; L97-K100 WeakPolarHBondContact O-CB 3.4Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-H101 PolarHBondContact O-N 2.73Å; L97-I136 HydrophobicContact CB-CG2 4.27Å; L97-I136 HydrophobicContact CD2-CG2 4.2Å; L97-L139 HydrophobicContact CD1-CB 4.32Å; L97-L139 HydrophobicContact CD1-CD2 3.92Å; L97-L139 HydrophobicContact CD1-CG 4.03Å; L97-L139 HydrophobicContact CD2-CD2 4.4Å; L97-C140 VanDerWaalsContact CD1-SG 3.53Å; L97-L143 HydrophobicContact CD1-CD1 3.88Å
98Q93.4Very high91.1Very high94 Ų9469.1 Ų69.144%0.43938%0.376SS..Hα-helixtrans-60.6-36.2173.4-70.1172.1-19.800112F76 L94 K100 H101 S102F76-Q98 HydrophobicContact CE1-CG 4.34Å; L94-Q98 WeakPolarHBondContact O-CG 3.44Å; L94-Q98 PolarHBondContact O-N 2.81Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.96Å; Q98-H101 PolarHBondContact O-N 2.92Å; Q98-S102 WeakPolarHBondContact O-CB 3.25Å; Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.19Å
99T93.2Very high91.5Very high56 Ų5665 Ų6534%0.34435%0.354SS..Hα-helixtrans-70.4-17.9172.9-59.20000113.2T95 F96 L97 S102 K103T95-T99 VanDerWaalsContact O-CB 3.25Å; T95-T99 WeakPolarHBondContact O-CB 3.16Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.28Å; F96-T99 CarbonylContact O-C 3.6Å; F96-T99 WeakPolarHBondContact O-CA 3.48Å; F96-T99 WeakPolarHBondContact O-CB 3.42Å; F96-T99 PolarHBondContact O-N 2.76Å; F96-T99 VanDerWaalsContact O-N 3.17Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.22Å; T99-S102 WeakPolarHBondContact CA-OG 3.25Å; T99-K103 HydrophobicContact CG2-CD 4.35Å; T99-K103 VanDerWaalsContact O-CD 3.28Å; T99-K103 WeakPolarHBondContact O-CD 3.27Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.09Å
100K92.7Very high91.9Very high49 Ų4959 Ų5921%0.21332%0.324CS..Hα-helixtrans-85.4-42.4167.7-61.8-44.7177.7-163.90111.8F96 L97 Q98 S102 K103 A104 C140 L143F96-K100 HydrophobicContact CD1-CG 4.37Å; F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 HydrophobicContact CE1-CG 4.24Å; F96-K100 WeakPolarHBondContact O-CG 3.16Å; F96-K100 PolarHBondContact O-N 2.78Å; L97-K100 WeakPolarHBondContact O-CA 3.4Å; L97-K100 WeakPolarHBondContact O-CB 3.4Å; L97-K100 PolarHBondContact O-N 2.95Å; Q98-K100 VanDerWaalsContact C-N 3.27Å; Q98-K100 PolarHBondContact O-N 2.96Å; K100-S102 PolarHBondContact O-N 3.46Å; K100-K103 CarbonylContact O-C 3.17Å; K100-K103 PolarHBondContact O-N 3.44Å; K100-A104 PolarHBondContact O-N 2.99Å; K100-C140 HydrophobicContact CG-CB 4.3Å; K100-L143 HydrophobicContact CB-CB 3.85Å; K100-L143 HydrophobicContact CB-CD1 4.18Å
101H93.8Very high92.3Very high20 Ų2058.4 Ų58.49%0.09332%0.32CS..Hα-helixtrans-55.7-52.9177.3-170.8-102.5000111.2Q73 F76 L97 Q98 K103 A104 F114 L143Q73-H101 PolarHBondContact OE1-CE1 2.79Å; F76-H101 AromaticContact CD2-CD2 3.6Å; F76-H101 HydrophobicContact CE1-CB 3.99Å; F76-H101 AromaticContact CE1-CG 3.79Å; F76-H101 HydrophobicContact CE2-CB 3.93Å; F76-H101 AromaticContact CE2-CD2 3.63Å; F76-H101 AromaticContact CE2-CG 3.89Å; F76-H101 AromaticContact CG-CD2 3.83Å; F76-H101 AromaticContact CG-NE2 3.85Å; F76-H101 HydrophobicContact CZ-CB 3.5Å; F76-H101 AromaticContact CZ-CD2 3.88Å; F76-H101 AromaticContact CZ-CG 3.66Å; L97-H101 PolarHBondContact O-N 2.73Å; Q98-H101 PolarHBondContact O-N 2.92Å; H101-K103 PolarHBondContact O-N 2.82Å; H101-A104 PolarHBondContact O-N 2.91Å; H101-A104 VanDerWaalsContact O-N 3.16Å; H101-F114 AromaticContact CD2-CZ 3.62Å; H101-F114 AromaticContact NE2-CE1 3.69Å; H101-F114 AromaticContact NE2-CZ 3.57Å; H101-L143 HydrophobicContact CB-CD1 4.25Å
102S92.3Very high92.6Very high89 Ų8958 Ų5862%0.62232%0.316SS*.THydrogen-bonded Turntrans-64.1-2175.153.40000115.8Q98 T99 K100Q98-S102 WeakPolarHBondContact O-CB 3.25Å; Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.19Å; T99-S102 WeakPolarHBondContact CA-OG 3.25Å; K100-S102 PolarHBondContact O-N 3.46Å
103K92.3Very high92.7Very high126 Ų12657.5 Ų57.555%0.54831%0.314SS..THydrogen-bonded Turntrans-121.5-0.2178.1-65.2-178.9-174.3172.40113.5T99 K100 H101 S147 V148T99-K103 HydrophobicContact CG2-CD 4.35Å; T99-K103 VanDerWaalsContact O-CD 3.28Å; T99-K103 WeakPolarHBondContact O-CD 3.27Å; T99-K103 VanDerWaalsContact O-CG 3.32Å; T99-K103 WeakPolarHBondContact O-CG 3.09Å; K100-K103 CarbonylContact O-C 3.17Å; K100-K103 PolarHBondContact O-N 3.44Å; H101-K103 PolarHBondContact O-N 2.82Å; K103-S147 VanDerWaalsContact O-CA 3.25Å; K103-S147 WeakPolarHBondContact O-CA 3.45Å; K103-S147 VanDerWaalsContact O-CB 3.25Å; K103-S147 WeakPolarHBondContact O-CB 3.33Å; K103-V148 PolarHBondContact O-N 2.91Å
104A93.6Very high92.9Very high8 Ų855.5 Ų55.57%0.06630%0.302CS..BIsolated β-bridgetrans-70.8156.8165.900000110.5K100 H101 L109 L143 H146K100-A104 PolarHBondContact O-N 2.99Å; H101-A104 PolarHBondContact O-N 2.91Å; H101-A104 VanDerWaalsContact O-N 3.16Å; A104-L109 HydrophobicContact CB-CD1 4.32Å; A104-L109 HydrophobicContact CB-CD2 3.81Å; A104-L109 HydrophobicContact CB-CG 4.01Å; A104-L143 HydrophobicContact CB-CD2 3.87Å; A104-H146 CarbonylContact C-O 3.57Å; A104-H146 WeakPolarHBondContact CA-O 3.26Å
105C91.8Very high93Very high32 Ų3258.4 Ų58.422%0.21631%0.311CS..  trans-71.2139.2174.655.10000111.1D107 Y108 L109 H146 V148C105-D107 VanDerWaalsContact C-N 3.26Å; C105-D107 PolarHBondContact O-N 3.46Å; C105-Y108 WeakPolarHBondContact O-CB 3.41Å; C105-Y108 PolarHBondContact O-N 2.98Å; C105-Y108 VanDerWaalsContact O-N 3.08Å; C105-Y108 WeakPolarHBondContact SG-CB 3.39Å; C105-L109 PolarHBondContact O-N 3.11Å; C105-H146 PolarHBondContact N-O 3.3Å; C105-H146 PolarHBondContact SG-O 2.71Å; C105-V148 HydrophobicContact CB-CG2 3.83Å
106P89Confident93.2Very high84 Ų8459 Ų5955%0.54531%0.312SS..Hα-helixtrans-53.9-39.9-179.1-28.235.9000113.8Y108 L109 C110P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 2.9Å; P106-L109 PolarHBondContact O-N 3.34Å; P106-C110 PolarHBondContact O-N 3.35Å; P106-C110 PolarHBondContact O-SG 2.94Å
107D89.8Confident93.3Very high134 Ų13455 Ų5572%0.71730%0.298SS*.Hα-helixtrans-60.4-36.6-179.1-47.2-51.5000112.2C105 S111C105-D107 VanDerWaalsContact C-N 3.26Å; C105-D107 PolarHBondContact O-N 3.46Å; D107-S111 PolarHBondContact O-N 3.35Å
108Y94.3Very high93.3Very high8 Ų855 Ų553%0.03130%0.298CS..Hα-helixtrans-70.9-42.5173.9-179.8-104.9000111.6C105 P106 C110 S111 E113 F114 V142 L143 H146C105-Y108 WeakPolarHBondContact O-CB 3.41Å; C105-Y108 PolarHBondContact O-N 2.98Å; C105-Y108 VanDerWaalsContact O-N 3.08Å; C105-Y108 WeakPolarHBondContact SG-CB 3.39Å; P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 2.9Å; Y108-C110 PolarHBondContact O-N 3.06Å; Y108-S111 VanDerWaalsContact O-CB 3.23Å; Y108-S111 WeakPolarHBondContact O-CB 3.37Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.45Å; Y108-E113 HydrophobicContact CE2-CB 4.07Å; Y108-E113 HydrophobicContact CE2-CG 3.87Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.16Å; Y108-F114 HydrophobicContact CD1-CB 4.09Å; Y108-F114 HydrophobicContact CD1-CD2 4.36Å; Y108-F114 HydrophobicContact CD1-CG 4.35Å; Y108-F114 HydrophobicContact CD2-CB 4.48Å; Y108-F114 HydrophobicContact CE1-CB 3.66Å; Y108-F114 AromaticContact CE1-CD2 3.55Å; Y108-F114 HydrophobicContact CE1-CD2 3.55Å; Y108-F114 AromaticContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE2-CB 4.11Å; Y108-F114 HydrophobicContact CG-CB 4.47Å; Y108-F114 WeakPolarHBondContact O-CB 3.23Å; Y108-F114 WeakPolarHBondContact OH-CA 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.23Å; Y108-V142 WeakPolarHBondContact OH-CG1 3.46Å; Y108-L143 HydrophobicContact CE1-CD2 4.33Å; Y108-H146 HydrophobicContact CD1-CB 3.75Å; Y108-H146 HydrophobicContact CD2-CB 4.08Å; Y108-H146 AromaticContact CD2-CE1 3.63Å; Y108-H146 AromaticContact CD2-CG 3.6Å; Y108-H146 AromaticContact CD2-ND1 3.2Å; Y108-H146 WeakPolarHBondContact CD2-ND1 3.28Å; Y108-H146 HydrophobicContact CE1-CB 4.27Å; Y108-H146 AromaticContact CE2-CD2 3.93Å; Y108-H146 AromaticContact CE2-CE1 3.55Å; Y108-H146 AromaticContact CE2-CG 3.8Å; Y108-H146 AromaticContact CE2-ND1 3.56Å; Y108-H146 AromaticContact CE2-NE2 3.83Å; Y108-H146 HydrophobicContact CG-CB 3.65Å; Y108-H146 AromaticContact CG-CG 3.73Å; Y108-H146 AromaticContact CG-ND1 3.71Å
109L93.4Very high93.3Very high32 Ų3251.6 Ų51.617%0.16829%0.288CS..Hα-helixtrans-64.2-26.7176.8-62.1-179.1000112.8N72 A104 C105 P106 F114 L143N72-L109 PolarHBondContact ND2-O 3.43Å; A104-L109 HydrophobicContact CB-CD1 4.32Å; A104-L109 HydrophobicContact CB-CD2 3.81Å; A104-L109 HydrophobicContact CB-CG 4.01Å; C105-L109 PolarHBondContact O-N 3.11Å; P106-L109 PolarHBondContact O-N 3.34Å; L109-F114 HydrophobicContact CD2-CD1 4.07Å; L109-F114 HydrophobicContact CD2-CE1 3.82Å; L109-F114 HydrophobicContact CD2-CE2 4.4Å; L109-F114 HydrophobicContact CD2-CG 4.46Å; L109-F114 HydrophobicContact CD2-CZ 4Å; L109-L143 HydrophobicContact CD2-CD2 3.94Å
110C92.9Very high93.3Very high31 Ų3154.2 Ų54.221%0.20930%0.296CS..THydrogen-bonded Turntrans-86.1-1.1171.9-650000114.4P106 Y108P106-C110 PolarHBondContact O-N 3.35Å; P106-C110 PolarHBondContact O-SG 2.94Å; Y108-C110 PolarHBondContact O-N 3.06Å
111S93.1Very high93.4Very high26 Ų2652.1 Ų52.118%0.18229%0.288CS..SBendtrans-85.7159.1-172.976.90000114.1N72 D107 Y108 E113 F114 R115N72-S111 PolarHBondContact ND2-O 2.87Å; D107-S111 PolarHBondContact O-N 3.35Å; Y108-S111 VanDerWaalsContact O-CB 3.23Å; Y108-S111 WeakPolarHBondContact O-CB 3.37Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-OG 3.45Å; S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact OG-N 2.75Å; S111-F114 PolarHBondContact OG-N 3.4Å; S111-R115 PolarHBondContact O-N 2.74Å
112V93.9Very high93.4Very high63 Ų6351.6 Ų51.638%0.38229%0.285SS..Hα-helixtrans-72.3-25.6167.9-174.40000111.4L68 R115 N116L68-V112 HydrophobicContact CD1-CG2 3.97Å; L68-V112 HydrophobicContact CD2-CG2 4.29Å; V112-R115 WeakPolarHBondContact O-CB 3.14Å; V112-R115 PolarHBondContact O-N 2.94Å; V112-N116 WeakPolarHBondContact O-CB 3.38Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-OD1 2.99Å
113E93.6Very high93.5Very high113 Ų11351.9 Ų51.953%0.52828%0.284SS..Hα-helixtrans-61.7-48.8175.8-172.1-172.8-173.700111.2Y108 S111 R115 N116 A117 H146Y108-E113 HydrophobicContact CE2-CB 4.07Å; Y108-E113 HydrophobicContact CE2-CG 3.87Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.16Å; S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact OG-N 2.75Å; E113-R115 PolarHBondContact O-N 2.99Å; E113-N116 PolarHBondContact O-N 3.46Å; E113-A117 PolarHBondContact O-N 3.4Å; E113-H146 IonicContact OE1-CE1 3.54Å; E113-H146 IonicContact OE1-NE2 2.68Å; E113-H146 IonicContact OE2-CE1 3.83Å
114F96Very high93.5Very high1 Ų149 Ų490%0.00427%0.272CS..Hα-helixtrans-60.7-44.5174178.3-128000111.7N72 F76 H101 Y108 L109 S111 N116 A117 L118 L139 L143N72-F114 HydrophobicContact CB-CD1 3.98Å; N72-F114 HydrophobicContact CB-CE1 4.12Å; F76-F114 HydrophobicContact CD2-CZ 4.1Å; H101-F114 AromaticContact CD2-CZ 3.62Å; H101-F114 AromaticContact NE2-CE1 3.69Å; H101-F114 AromaticContact NE2-CZ 3.57Å; Y108-F114 HydrophobicContact CD1-CB 4.09Å; Y108-F114 HydrophobicContact CD1-CD2 4.36Å; Y108-F114 HydrophobicContact CD1-CG 4.35Å; Y108-F114 HydrophobicContact CD2-CB 4.48Å; Y108-F114 HydrophobicContact CE1-CB 3.66Å; Y108-F114 AromaticContact CE1-CD2 3.55Å; Y108-F114 HydrophobicContact CE1-CD2 3.55Å; Y108-F114 AromaticContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE1-CG 3.86Å; Y108-F114 HydrophobicContact CE2-CB 4.11Å; Y108-F114 HydrophobicContact CG-CB 4.47Å; Y108-F114 WeakPolarHBondContact O-CB 3.23Å; Y108-F114 WeakPolarHBondContact OH-CA 3.47Å; L109-F114 HydrophobicContact CD2-CD1 4.07Å; L109-F114 HydrophobicContact CD2-CE1 3.82Å; L109-F114 HydrophobicContact CD2-CE2 4.4Å; L109-F114 HydrophobicContact CD2-CG 4.46Å; L109-F114 HydrophobicContact CD2-CZ 4Å; S111-F114 PolarHBondContact OG-N 3.4Å; F114-N116 VanDerWaalsContact C-N 3.29Å; F114-N116 PolarHBondContact O-N 3.49Å; F114-A117 PolarHBondContact O-N 3.02Å; F114-L118 HydrophobicContact CE1-CD2 4.01Å; F114-L118 HydrophobicContact CE2-CB 4.32Å; F114-L118 HydrophobicContact CE2-CD2 4.27Å; F114-L118 HydrophobicContact CZ-CD2 3.81Å; F114-L118 WeakPolarHBondContact O-CB 3.42Å; F114-L118 PolarHBondContact O-N 2.68Å; F114-L139 HydrophobicContact CE2-CD1 4.2Å; F114-L143 HydrophobicContact CD2-CD2 4.28Å; F114-L143 HydrophobicContact CE2-CD2 3.74Å; F114-L143 HydrophobicContact CE2-CG 4.46Å; F114-L143 HydrophobicContact CZ-CD2 4.32Å
115R94.9Very high93.4Very high76 Ų7648.7 Ų48.729%0.28727%0.269SS..Hα-helixtrans-55.6-44.2176.5-159.6179.365.1171.51.7112.3E71 N72 L75 S111 V112 E113 G119E71-R115 IonicContact OE1-NH1 3.07Å; E71-R115 WeakPolarHBondContact OE2-CD 3.28Å; E71-R115 IonicContact OE2-CZ 3.18Å; E71-R115 IonicContact OE2-NE 2.69Å; E71-R115 IonicContact OE2-NH1 2.66Å; E71-R115 PolarHBondContact OE2-NH1 3.49Å; N72-R115 WeakPolarHBondContact OD1-CB 3.28Å; N72-R115 WeakPolarHBondContact OD1-CD 3.42Å; N72-R115 WeakPolarHBondContact OD1-CG 3.43Å; L75-R115 HydrophobicContact CD1-CG 3.72Å; S111-R115 PolarHBondContact O-N 2.74Å; V112-R115 WeakPolarHBondContact O-CB 3.14Å; V112-R115 PolarHBondContact O-N 2.94Å; E113-R115 PolarHBondContact O-N 2.99Å; R115-G119 PolarHBondContact O-N 2.96Å
116N95.3Very high93.4Very high93 Ų9351.7 Ų51.750%0.49728%0.28SS..Hα-helixtrans-69.7-47.6-178.8-68.1-7.2000111.4V112 E113 F114 L118 G119 Q120V112-N116 WeakPolarHBondContact O-CB 3.38Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-OD1 2.99Å; E113-N116 PolarHBondContact O-N 3.46Å; F114-N116 VanDerWaalsContact C-N 3.29Å; F114-N116 PolarHBondContact O-N 3.49Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å; N116-G119 PolarHBondContact O-N 3.35Å; N116-Q120 VanDerWaalsContact O-CB 3.26Å; N116-Q120 WeakPolarHBondContact O-CB 3.29Å; N116-Q120 PolarHBondContact O-N 2.82Å
117A94.2Very high93.4Very high20 Ų2051 Ų5117%0.16529%0.288CS..Hα-helixtrans-61.2-41.8177.500000112.1E113 F114 C121 V142E113-A117 PolarHBondContact O-N 3.4Å; F114-A117 PolarHBondContact O-N 3.02Å; A117-C121 PolarHBondContact O-N 2.97Å; A117-C121 PolarHBondContact O-SG 3.01Å; A117-V142 HydrophobicContact CB-CG1 4.42Å
118L95.3Very high93.3Very high0 Ų047.8 Ų47.80%027%0.271CS..Hα-helixtrans-67.1-47.4177.5178.159.9000112.4L75 F76 F79 F114 N116 Q120 C121 L122 L139L75-L118 HydrophobicContact CB-CD2 3.72Å; L75-L118 HydrophobicContact CB-CG 4.25Å; F76-L118 HydrophobicContact CB-CD2 3.96Å; F76-L118 HydrophobicContact CD2-CD1 4.25Å; F79-L118 HydrophobicContact CB-CD1 3.91Å; F79-L118 HydrophobicContact CG-CD1 4.14Å; F114-L118 HydrophobicContact CE1-CD2 4.01Å; F114-L118 HydrophobicContact CE2-CB 4.32Å; F114-L118 HydrophobicContact CE2-CD2 4.27Å; F114-L118 HydrophobicContact CZ-CD2 3.81Å; F114-L118 WeakPolarHBondContact O-CB 3.42Å; F114-L118 PolarHBondContact O-N 2.68Å; N116-L118 VanDerWaalsContact C-N 3.33Å; N116-L118 PolarHBondContact O-N 2.92Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.81Å; L118-C121 PolarHBondContact O-N 3.4Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 PolarHBondContact O-N 2.82Å; L118-L139 HydrophobicContact CD1-CD1 4.25Å; L118-L139 HydrophobicContact CD1-CD2 3.73Å
119G93.6Very high93Very high22 Ų2250.6 Ų50.623%0.22729%0.289CS..Hα-helixtrans-62.7-35.3175.400000113R115 N116 T123R115-G119 PolarHBondContact O-N 2.96Å; N116-G119 PolarHBondContact O-N 3.35Å; G119-T123 WeakPolarHBondContact O-CB 3.36Å; G119-T123 PolarHBondContact O-N 3.17Å; G119-T123 PolarHBondContact O-OG1 3.39Å
120Q94.6Very high92.7Very high112 Ų11252.9 Ų52.952%0.52332%0.32SS..Hα-helixtrans-66-45.8172.1179.8173.110.500111.7N116 L118 L122 Q124N116-Q120 VanDerWaalsContact O-CB 3.26Å; N116-Q120 WeakPolarHBondContact O-CB 3.29Å; N116-Q120 PolarHBondContact O-N 2.82Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.81Å; Q120-L122 PolarHBondContact O-N 3.15Å; Q120-Q124 VanDerWaalsContact CG-NE2 3.3Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 2.82Å
121C93.6Very high92.7Very high4 Ų456.6 Ų56.63%0.02733%0.332CS..Hα-helixtrans-61-42.5174.5-68.80000111.9F79 A117 L118 Q124 A125F79-C121 HydrophobicContact CD2-CB 4.38Å; F79-C121 HydrophobicContact CE2-CB 3.78Å; F79-C121 HydrophobicContact CZ-CB 4.21Å; A117-C121 PolarHBondContact O-N 2.97Å; A117-C121 PolarHBondContact O-SG 3.01Å; L118-C121 PolarHBondContact O-N 3.4Å; C121-Q124 PolarHBondContact O-N 3.18Å; C121-A125 VanDerWaalsContact O-CB 3.28Å; C121-A125 WeakPolarHBondContact O-CB 3.25Å; C121-A125 PolarHBondContact O-N 2.97Å
122L94.1Very high92.6Very high9 Ų955.4 Ų55.45%0.04732%0.324CS..Hα-helixtrans-63.4-50.1178.2179.858.9000112L75 E78 F79 H82 L118 Q120 Q124 A125 Q126L75-L122 HydrophobicContact CD2-CD2 4.42Å; E78-L122 HydrophobicContact CG-CD2 4.25Å; F79-L122 HydrophobicContact CB-CD1 4.39Å; F79-L122 HydrophobicContact CD2-CB 4.01Å; F79-L122 HydrophobicContact CD2-CD1 4.15Å; H82-L122 HydrophobicContact CB-CD1 4.25Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 PolarHBondContact O-N 2.82Å; Q120-L122 PolarHBondContact O-N 3.15Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.87Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-Q126 HydrophobicContact CD1-CG 4.25Å; L122-Q126 WeakPolarHBondContact O-CB 3.48Å; L122-Q126 WeakPolarHBondContact O-CG 3.31Å; L122-Q126 PolarHBondContact O-N 3.47Å
123T94.8Very high92.5Very high96 Ų9656.8 Ų56.859%0.58933%0.325SS*.Hα-helixtrans-59.7-40.4178.4-54.30000111.2G119 G127G119-T123 WeakPolarHBondContact O-CB 3.36Å; G119-T123 PolarHBondContact O-N 3.17Å; G119-T123 PolarHBondContact O-OG1 3.39Å; T123-G127 PolarHBondContact O-N 3.02Å
124Q92.5Very high92.6Very high66 Ų6655.3 Ų55.331%0.30832%0.324SS..Hα-helixtrans-72.3-38.5177.5-69.9-173.457.300113.1Q120 C121 L122 Q126 G127 N128 Y135Q120-Q124 VanDerWaalsContact CG-NE2 3.3Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.37Å; Q120-Q124 PolarHBondContact O-N 2.82Å; C121-Q124 PolarHBondContact O-N 3.18Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.87Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q124-Q126 PolarHBondContact O-N 3.11Å; Q124-G127 PolarHBondContact O-N 3.46Å; Q124-N128 PolarHBondContact O-N 2.85Å; Q124-Y135 HydrophobicContact CB-CD1 3.95Å; Q124-Y135 HydrophobicContact CB-CD2 4.35Å; Q124-Y135 HydrophobicContact CB-CE1 3.63Å; Q124-Y135 HydrophobicContact CB-CE2 4.05Å; Q124-Y135 HydrophobicContact CB-CG 4.32Å; Q124-Y135 HydrophobicContact CG-CE1 4.38Å; Q124-Y135 WeakPolarHBondContact O-CE2 3.25Å
125A90.6Very high92.5Very high0 Ų056.1 Ų56.10%033%0.327CS..Hα-helixtrans-68.4-30.3175.200000112.8F79 H82 C121 L122 Y135F79-A125 HydrophobicContact CE2-CB 4.07Å; H82-A125 PolarHBondContact NE2-O 2.76Å; C121-A125 VanDerWaalsContact O-CB 3.28Å; C121-A125 WeakPolarHBondContact O-CB 3.25Å; C121-A125 PolarHBondContact O-N 2.97Å; L122-A125 PolarHBondContact O-N 2.88Å; A125-Y135 HydrophobicContact CB-CD2 3.84Å; A125-Y135 HydrophobicContact CB-CG 4.46Å
126Q91Very high92.5Very high96 Ų9652.7 Ų52.745%0.44931%0.314SS..Hα-helixtrans-71.5-43.4170.5-72.3172.3-7.500111.4H82 L122 Q124H82-Q126 PolarHBondContact NE2-N 2.85Å; L122-Q126 HydrophobicContact CD1-CG 4.25Å; L122-Q126 WeakPolarHBondContact O-CB 3.48Å; L122-Q126 WeakPolarHBondContact O-CG 3.31Å; L122-Q126 PolarHBondContact O-N 3.47Å; Q124-Q126 VanDerWaalsContact C-N 3.32Å; Q124-Q126 PolarHBondContact O-N 3.11Å
127G88.9Confident92.4Very high69 Ų6953 Ų5371%0.71132%0.316SS*.Hα-helixtrans-74-23.4179.200000115.5T123 Q124T123-G127 PolarHBondContact O-N 3.02Å; Q124-G127 PolarHBondContact O-N 3.46Å
128N88.7Confident92.4Very high66 Ų6655.6 Ų55.635%0.35333%0.325SS..  trans-145.576.2-179.6-159.7-43.8000112.6Q124 G130 K131 Y135Q124-N128 PolarHBondContact O-N 2.85Å; N128-G130 PolarHBondContact O-N 3.46Å; N128-G130 VanDerWaalsContact O-N 3.13Å; N128-K131 PolarHBondContact O-N 3.37Å; N128-Y135 HydrophobicContact CB-CE2 4.39Å
129V87.8Confident92.4Very high68 Ų6855.6 Ų55.641%0.41233%0.325SS..G310 helixtrans-50.6-36.3177.3174.40000113.2H86 K131 T132H86-V129 WeakPolarHBondContact CD2-CG1 3.36Å; H86-V129 WeakPolarHBondContact NE2-CG1 3.43Å; V129-K131 PolarHBondContact O-N 2.89Å; V129-T132 PolarHBondContact O-N 2.71Å; V129-T132 PolarHBondContact O-OG1 3.48Å
130G87.8Confident92.5Very high79 Ų7954.9 Ų54.981%0.81432%0.316SS*.G310 helixtrans-64.8-7177.900000114.9N128N128-G130 PolarHBondContact O-N 3.46Å; N128-G130 VanDerWaalsContact O-N 3.13Å
131K92.2Very high92.5Very high109 Ų10952.4 Ų52.447%0.47431%0.309SS..G310 helixtrans-118.110.4177.6-69.7-178.6-179.8179.80113.8N128 V129 F133 V134 Y135N128-K131 PolarHBondContact O-N 3.37Å; V129-K131 PolarHBondContact O-N 2.89Å; K131-F133 PolarHBondContact O-N 3.43Å; K131-F133 VanDerWaalsContact O-N 3.07Å; K131-V134 HydrophobicContact CB-CG2 4.31Å; K131-V134 WeakPolarHBondContact O-CA 3.42Å; K131-V134 VanDerWaalsContact O-CB 3.29Å; K131-V134 WeakPolarHBondContact O-CB 3.48Å; K131-V134 PolarHBondContact O-N 3.16Å; K131-Y135 HydrophobicContact CB-CD2 4.29Å; K131-Y135 HydrophobicContact CB-CE2 3.5Å; K131-Y135 WeakPolarHBondContact O-CD2 3.43Å; K131-Y135 PolarHBondContact O-N 3.4Å
132T91.4Very high92.5Very high2 Ų253.6 Ų53.61%0.01232%0.316CS..Hα-helixtrans-47.3-42.3-177.9-64.20000114C83 H86 V129 V134 Y135 I136C83-T132 HydrophobicContact CB-CG2 4.11Å; H86-T132 HydrophobicContact CB-CG2 4.07Å; V129-T132 PolarHBondContact O-N 2.71Å; V129-T132 PolarHBondContact O-OG1 3.48Å; T132-V134 VanDerWaalsContact C-N 3.3Å; T132-V134 PolarHBondContact O-N 2.72Å; T132-Y135 PolarHBondContact O-N 3.33Å; T132-I136 HydrophobicContact CG2-CD1 3.8Å; T132-I136 HydrophobicContact CG2-CG1 4.32Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.14Å
133F92.7Very high92.5Very high91 Ų9153.1 Ų53.140%0.39931%0.314SS..Hα-helixtrans-62-30.9176-69.6-74.5000114.8T87 C90 V93 K131 N137T87-F133 HydrophobicContact CG2-CD1 4.49Å; T87-F133 HydrophobicContact CG2-CE1 3.76Å; T87-F133 HydrophobicContact CG2-CZ 3.97Å; C90-F133 WeakPolarHBondContact SG-CE1 3.48Å; V93-F133 HydrophobicContact CB-CE1 4.49Å; V93-F133 HydrophobicContact CG1-CD1 4.24Å; V93-F133 HydrophobicContact CG1-CE1 4.32Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å; K131-F133 PolarHBondContact O-N 3.43Å; K131-F133 VanDerWaalsContact O-N 3.07Å; F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 2.82Å
134V94.1Very high92.4Very high83 Ų8355 Ų5550%0.50331%0.313SS..Hα-helixtrans-67.1-47.2175.2-174.50000109.5K131 T132 N137 E138K131-V134 HydrophobicContact CB-CG2 4.31Å; K131-V134 WeakPolarHBondContact O-CA 3.42Å; K131-V134 VanDerWaalsContact O-CB 3.29Å; K131-V134 WeakPolarHBondContact O-CB 3.48Å; K131-V134 PolarHBondContact O-N 3.16Å; T132-V134 VanDerWaalsContact C-N 3.3Å; T132-V134 PolarHBondContact O-N 2.72Å; V134-N137 CarbonylContact O-C 3.51Å; V134-N137 PolarHBondContact O-N 3.43Å; V134-N137 VanDerWaalsContact O-N 3.17Å; V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.42Å
135Y94.6Very high92.4Very high18 Ų1857.2 Ų57.27%0.07132%0.324CS..Hα-helixtrans-68.3-35.5-179.5-51.2-50.4000112.5Q124 A125 N128 K131 T132 E138 L139Q124-Y135 HydrophobicContact CB-CD1 3.95Å; Q124-Y135 HydrophobicContact CB-CD2 4.35Å; Q124-Y135 HydrophobicContact CB-CE1 3.63Å; Q124-Y135 HydrophobicContact CB-CE2 4.05Å; Q124-Y135 HydrophobicContact CB-CG 4.32Å; Q124-Y135 HydrophobicContact CG-CE1 4.38Å; Q124-Y135 WeakPolarHBondContact O-CE2 3.25Å; A125-Y135 HydrophobicContact CB-CD2 3.84Å; A125-Y135 HydrophobicContact CB-CG 4.46Å; N128-Y135 HydrophobicContact CB-CE2 4.39Å; K131-Y135 HydrophobicContact CB-CD2 4.29Å; K131-Y135 HydrophobicContact CB-CE2 3.5Å; K131-Y135 WeakPolarHBondContact O-CD2 3.43Å; K131-Y135 PolarHBondContact O-N 3.4Å; T132-Y135 PolarHBondContact O-N 3.33Å; Y135-E138 PolarHBondContact O-N 3.05Å; Y135-L139 WeakPolarHBondContact O-CB 3.32Å; Y135-L139 PolarHBondContact O-N 2.94Å
136I93.9Very high92.3Very high3 Ų359.8 Ų59.82%0.01534%0.336CS..Hα-helixtrans-63.9-42.8170.4-63.2163.2000110.8F79 C83 T87 V93 L94 L97 T132 C140F79-I136 HydrophobicContact CE1-CG1 4.07Å; F79-I136 HydrophobicContact CZ-CG1 4.11Å; C83-I136 HydrophobicContact CB-CD1 3.94Å; C83-I136 HydrophobicContact CB-CG1 4.36Å; T87-I136 HydrophobicContact CG2-CD1 3.67Å; V93-I136 HydrophobicContact CG1-CB 4.42Å; V93-I136 HydrophobicContact CG1-CD1 4.04Å; V93-I136 HydrophobicContact CG1-CG2 3.68Å; L94-I136 HydrophobicContact CD2-CD1 4.19Å; L97-I136 HydrophobicContact CB-CG2 4.27Å; L97-I136 HydrophobicContact CD2-CG2 4.2Å; T132-I136 HydrophobicContact CG2-CD1 3.8Å; T132-I136 HydrophobicContact CG2-CG1 4.32Å; T132-I136 WeakPolarHBondContact O-CG1 3.44Å; T132-I136 PolarHBondContact O-N 3.14Å; I136-C140 VanDerWaalsContact O-CB 3.28Å; I136-C140 WeakPolarHBondContact O-CB 3.47Å; I136-C140 PolarHBondContact O-N 3.11Å; I136-C140 PolarHBondContact O-SG 2.91Å
137N93.7Very high92.2Very high101 Ų10156.9 Ų56.954%0.5433%0.326SS..Hα-helixtrans-68.5-34.6178.1177.573000112.7F133 V134 T141F133-N137 WeakPolarHBondContact O-CB 3.4Å; F133-N137 PolarHBondContact O-N 2.82Å; V134-N137 CarbonylContact O-C 3.51Å; V134-N137 PolarHBondContact O-N 3.43Å; V134-N137 VanDerWaalsContact O-N 3.17Å; N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 PolarHBondContact O-N 3.34Å; N137-T141 PolarHBondContact O-OG1 2.86Å
138E95.4Very high91.5Very high73 Ų7358.5 Ų58.534%0.34132%0.322SS..Hα-helixtrans-62-54.1172.5-173.6168.9-171.900110.4V134 Y135 C140 T141 V142V134-E138 WeakPolarHBondContact O-CB 3.44Å; V134-E138 PolarHBondContact O-N 3.42Å; Y135-E138 PolarHBondContact O-N 3.05Å; E138-C140 VanDerWaalsContact C-N 3.33Å; E138-C140 PolarHBondContact O-N 2.8Å; E138-T141 WeakPolarHBondContact O-CA 3.45Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 3.47Å; E138-V142 WeakPolarHBondContact O-CG2 3.42Å; E138-V142 PolarHBondContact O-N 2.71Å
139L95.5Very high90.7Very high0 Ų062.5 Ų62.50%034%0.336CS..Hα-helixtrans-60.5-39.6175.5-170.762.6000112.4F76 F79 L97 F114 L118 Y135 T141 V142 L143F76-L139 HydrophobicContact CD2-CD2 4.47Å; F76-L139 HydrophobicContact CE2-CD2 4.33Å; F79-L139 HydrophobicContact CD1-CD2 3.58Å; F79-L139 HydrophobicContact CE1-CD2 3.48Å; F79-L139 VanDerWaalsContact CE1-CD2 3.48Å; F79-L139 HydrophobicContact CG-CD2 4.3Å; F79-L139 HydrophobicContact CZ-CD2 4.12Å; L97-L139 HydrophobicContact CD1-CB 4.32Å; L97-L139 HydrophobicContact CD1-CD2 3.92Å; L97-L139 HydrophobicContact CD1-CG 4.03Å; L97-L139 HydrophobicContact CD2-CD2 4.4Å; F114-L139 HydrophobicContact CE2-CD1 4.2Å; L118-L139 HydrophobicContact CD1-CD1 4.25Å; L118-L139 HydrophobicContact CD1-CD2 3.73Å; Y135-L139 WeakPolarHBondContact O-CB 3.32Å; Y135-L139 PolarHBondContact O-N 2.94Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.38Å; L139-V142 PolarHBondContact O-N 2.97Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.48Å
140C94.4Very high88.9Confident7 Ų769.1 Ų69.15%0.04736%0.359CS..Hα-helixtrans-63-31.2172.2-75.40000113.1F96 L97 K100 I136 E138 K144F96-C140 HydrophobicContact CE1-CB 4.29Å; L97-C140 VanDerWaalsContact CD1-SG 3.53Å; K100-C140 HydrophobicContact CG-CB 4.3Å; I136-C140 VanDerWaalsContact O-CB 3.28Å; I136-C140 WeakPolarHBondContact O-CB 3.47Å; I136-C140 PolarHBondContact O-N 3.11Å; I136-C140 PolarHBondContact O-SG 2.91Å; E138-C140 VanDerWaalsContact C-N 3.33Å; E138-C140 PolarHBondContact O-N 2.8Å; C140-K144 WeakPolarHBondContact O-CB 3.33Å; C140-K144 PolarHBondContact O-N 3.11Å; C140-K144 VanDerWaalsContact O-N 3.12Å
141T94.3Very high86.5Confident61 Ų6176 Ų7637%0.37436%0.36SS..Hα-helixtrans-74.8-43.7178.3-63.10000110.5N137 E138 L139 K144 Q145N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 PolarHBondContact O-N 3.34Å; N137-T141 PolarHBondContact O-OG1 2.86Å; E138-T141 WeakPolarHBondContact O-CA 3.45Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 3.47Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.38Å; T141-K144 WeakPolarHBondContact O-CB 3.37Å; T141-K144 PolarHBondContact O-N 3.05Å; T141-Q145 WeakPolarHBondContact O-CG 3.29Å; T141-Q145 PolarHBondContact O-N 3.15Å
142V94.3Very high83.7Confident28 Ų2880.1 Ų80.117%0.1738%0.382CS..Hα-helixtrans-60.5-54.2173.6174.40000110.7Y108 A117 E138 L139 K144 Q145 H146Y108-V142 HydrophobicContact CE1-CG1 4.23Å; Y108-V142 WeakPolarHBondContact OH-CG1 3.46Å; A117-V142 HydrophobicContact CB-CG1 4.42Å; E138-V142 WeakPolarHBondContact O-CG2 3.42Å; E138-V142 PolarHBondContact O-N 2.71Å; L139-V142 PolarHBondContact O-N 2.97Å; V142-K144 PolarHBondContact O-N 3.13Å; V142-K144 VanDerWaalsContact O-N 3.09Å; V142-Q145 WeakPolarHBondContact O-CB 3.34Å; V142-Q145 PolarHBondContact O-N 2.99Å; V142-H146 PolarHBondContact O-CD2 3.24Å; V142-H146 PolarHBondContact O-N 3.11Å
143L94Very high80.7Confident0 Ų086 Ų860%042%0.418CS..Hα-helixtrans-57.9-28.4176.1-70.4168.5000113.2F76 L97 K100 H101 A104 Y108 L109 F114 L139 S147F76-L143 HydrophobicContact CE2-CD1 4.32Å; L97-L143 HydrophobicContact CD1-CD1 3.88Å; K100-L143 HydrophobicContact CB-CB 3.85Å; K100-L143 HydrophobicContact CB-CD1 4.18Å; H101-L143 HydrophobicContact CB-CD1 4.25Å; A104-L143 HydrophobicContact CB-CD2 3.87Å; Y108-L143 HydrophobicContact CE1-CD2 4.33Å; L109-L143 HydrophobicContact CD2-CD2 3.94Å; F114-L143 HydrophobicContact CD2-CD2 4.28Å; F114-L143 HydrophobicContact CE2-CD2 3.74Å; F114-L143 HydrophobicContact CE2-CG 4.46Å; F114-L143 HydrophobicContact CZ-CD2 4.32Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-N 2.8Å
144K92.3Very high77.7Confident135 Ų13590 Ų9059%0.58744%0.443SS*.Hα-helixtrans-77.2-33.3174-179.5-175.6176.1-171.70112.8C140 T141 V142 S147C140-K144 WeakPolarHBondContact O-CB 3.33Å; C140-K144 PolarHBondContact O-N 3.11Å; C140-K144 VanDerWaalsContact O-N 3.12Å; T141-K144 WeakPolarHBondContact O-CB 3.37Å; T141-K144 PolarHBondContact O-N 3.05Å; V142-K144 PolarHBondContact O-N 3.13Å; V142-K144 VanDerWaalsContact O-N 3.09Å; K144-S147 WeakPolarHBondContact O-CB 3.25Å; K144-S147 PolarHBondContact O-N 3.49Å; K144-S147 PolarHBondContact O-OG 3.17Å
145Q92.3Very high74.6Confident112 Ų11291.9 Ų91.952%0.52346%0.459SS..Hα-helixtrans-62.1-47.7175.8-74.7162.6-13.900110.5T141 V142 S147 K149T141-Q145 WeakPolarHBondContact O-CG 3.29Å; T141-Q145 PolarHBondContact O-N 3.15Å; V142-Q145 WeakPolarHBondContact O-CB 3.34Å; V142-Q145 PolarHBondContact O-N 2.99Å; Q145-S147 VanDerWaalsContact C-N 3.27Å; Q145-S147 PolarHBondContact O-N 3.37Å; Q145-K149 PolarHBondContact O-NZ 3.38Å
146H89.6Confident71.5Confident54 Ų5499.9 Ų99.925%0.2549%0.494CS..THydrogen-bonded Turntrans-88.526.8179.2-56.9-109.2000113A104 C105 Y108 E113 V142A104-H146 CarbonylContact C-O 3.57Å; A104-H146 WeakPolarHBondContact CA-O 3.26Å; C105-H146 PolarHBondContact N-O 3.3Å; C105-H146 PolarHBondContact SG-O 2.71Å; Y108-H146 HydrophobicContact CD1-CB 3.75Å; Y108-H146 HydrophobicContact CD2-CB 4.08Å; Y108-H146 AromaticContact CD2-CE1 3.63Å; Y108-H146 AromaticContact CD2-CG 3.6Å; Y108-H146 AromaticContact CD2-ND1 3.2Å; Y108-H146 WeakPolarHBondContact CD2-ND1 3.28Å; Y108-H146 HydrophobicContact CE1-CB 4.27Å; Y108-H146 AromaticContact CE2-CD2 3.93Å; Y108-H146 AromaticContact CE2-CE1 3.55Å; Y108-H146 AromaticContact CE2-CG 3.8Å; Y108-H146 AromaticContact CE2-ND1 3.56Å; Y108-H146 AromaticContact CE2-NE2 3.83Å; Y108-H146 HydrophobicContact CG-CB 3.65Å; Y108-H146 AromaticContact CG-CG 3.73Å; Y108-H146 AromaticContact CG-ND1 3.71Å; E113-H146 IonicContact OE1-CE1 3.54Å; E113-H146 IonicContact OE1-NE2 2.68Å; E113-H146 IonicContact OE2-CE1 3.83Å; V142-H146 PolarHBondContact O-CD2 3.24Å; V142-H146 PolarHBondContact O-N 3.11Å
147S88.8Confident68.3Low35 Ų35104 Ų10425%0.24553%0.529CS..BIsolated β-bridgetrans-85.1147.2176.762.90000113.3K103 L143 K144 Q145 K149K103-S147 VanDerWaalsContact O-CA 3.25Å; K103-S147 WeakPolarHBondContact O-CA 3.45Å; K103-S147 VanDerWaalsContact O-CB 3.25Å; K103-S147 WeakPolarHBondContact O-CB 3.33Å; L143-S147 PolarHBondContact O-N 2.8Å; K144-S147 WeakPolarHBondContact O-CB 3.25Å; K144-S147 PolarHBondContact O-N 3.49Å; K144-S147 PolarHBondContact O-OG 3.17Å; Q145-S147 VanDerWaalsContact C-N 3.27Å; Q145-S147 PolarHBondContact O-N 3.37Å; S147-K149 PolarHBondContact O-N 3.06Å
148V74.8Confident65.1Low103 Ų103107.4 Ų107.462%0.62454%0.542SS*.  trans-72.791.8-177.1-174.40000110.6K103 C105 K150K103-V148 PolarHBondContact O-N 2.91Å; C105-V148 HydrophobicContact CB-CG2 3.83Å; V148-K150 PolarHBondContact O-N 3.19Å
149K71.1Confident62.3Low151 Ų151109.6 Ų109.666%0.65756%0.562SS**  trans-75.188.3-177.4-69.8159.9-167.21470111.7Q145 S147 R151Q145-K149 PolarHBondContact O-NZ 3.38Å; S147-K149 PolarHBondContact O-N 3.06Å; K149-R151 PolarHBondContact O-N 3.21Å
150K49.6Very low58.9Low207 Ų207115.4 Ų115.490%0.960%0.603SS**  trans-60.199.3167.7-166.9172.1-173.6175.20109.4V148 Q152V148-K150 PolarHBondContact O-N 3.19Å; K150-Q152 PolarHBondContact O-N 2.85Å; K150-Q152 VanDerWaalsContact O-N 3.16Å
151R36.8Very low55.7Low222 Ų222119.5 Ų119.584%0.83864%0.637SS**  trans-67.2109.7-177.4-84.7177.363.4180-1.6110.8K149 T153K149-R151 PolarHBondContact O-N 3.21Å; R151-T153 PolarHBondContact O-N 2.92Å
152Q34.8Very low52.5Low196 Ų196121.8 Ų121.892%0.91666%0.656SS**  trans-71.9117.2165.1-156.4169.317.400108.3K150 L154K150-Q152 PolarHBondContact O-N 2.85Å; K150-Q152 VanDerWaalsContact O-N 3.16Å; Q152-L154 PolarHBondContact O-N 2.98Å
153T27.2Very low49.3Very low127 Ų127129.2 Ų129.278%0.77969%0.689SS**  trans-81.3104.3-17442.30000111.4R151 S155R151-T153 PolarHBondContact O-N 2.92Å; T153-S155 PolarHBondContact O-N 3.35Å
154L30.9Very low46.1Very low175 Ų175135.3 Ų135.392%0.91673%0.731SS**  trans-79.8111.4173-152.877000109.5Q152 K156Q152-L154 PolarHBondContact O-N 2.98Å; L154-K156 PolarHBondContact O-N 3Å
155S28.4Very low43Very low121 Ų121132.3 Ų132.385%0.84674%0.738SS**  trans-70125178.553.30000111.4T153T153-S155 PolarHBondContact O-N 3.35Å
156K28.3Very low39.9Very low186 Ų186131.9 Ų131.981%0.80975%0.748SS**  trans-111.1124.9172.3-173.9-169.1173.3-1580109.3L154L154-K156 PolarHBondContact O-N 3Å
157A27.8Very low37Very low91 Ų91137 Ų13775%0.75277%0.771SS**  trans-77.3153.5174.300000112.2
158E27.2Very low34.1Very low172 Ų172142.6 Ų142.680%0.80480%0.798SS**  trans-108.8160172-77.3-110.1113.600111.1
159P35.3Very low31.9Very low118 Ų118142 Ų14277%0.76680%0.799SS**  trans-105.4173.7-164.840.5-35.3000114.8
160S25.2Very low29.6Very low123 Ų123140.9 Ų140.986%0.8680%0.804SS**  trans-136.9153.5159.750.40000111.2
161A27.5Very low28.4Very low92 Ų92136 Ų13676%0.7680%0.796SS**  trans-86.2173.3-176.400000111.6
162S25.6Very low28Very low110 Ų110131.3 Ų131.377%0.76979%0.793SS**  cis-146-175.521-59.30000109.5
163E27.7Very low27.6Very low184 Ų184126.9 Ų126.986%0.8678%0.783SS**  cis-148.2165.120.4-63.8-175.7107.100113.1
164S27.6Very low27.5Very low128 Ų128127.8 Ų127.890%0.89578%0.782SS**  trans37.6129.9144.3-154.60000121.4
165G26.2Very low27.3Very low71 Ų71128 Ų12873%0.73278%0.776SS**  trans-159-46.3178.800000120.4
166S27.6Very low27.1Very low104 Ų104128.8 Ų128.873%0.72777%0.771SS**  trans69.6135.4176.9-163.80000119.3
167H29.5Very low27.1Very low160 Ų160129.1 Ų129.174%0.74177%0.772SS**  trans54.3125.5155.477.8-84000124.4
168L27.2Very low26.9Very low153 Ų153131 Ų13180%0.80177%0.77SS**  trans57.1126.9136.4-98.669.2000123.5
169S27.5Very low27Very low92 Ų92131.5 Ų131.564%0.64377%0.769SS**  100.2110.8123.2-78.10000122
170T24Very low26.7Very low127 Ų127136.5 Ų136.578%0.77977%0.773SS**  63104.7117.6-39.90000118.7T172T170-T172 PolarHBondContact O-N 2.76Å
171S24.8Very low26.8Very low104 Ų104139.6 Ų139.673%0.72777%0.771SS**  trans-53131.5157.1176.40000112.2
172T27Very low26.8Very low124 Ų124138.3 Ų138.376%0.76177%0.767SS**  179.1120.7112.127.40000114.7T170T170-T172 PolarHBondContact O-N 2.76Å
173S26.1Very low26.9Very low103 Ų103144.2 Ų144.272%0.7277%0.772SS**  trans67.2155.6132-152.30000122.1
174L26.3Very low27Very low145 Ų145140 Ų14076%0.75976%0.759SS**  trans69.9139.3173.8-45.8-178.2000114.6
175K26.4Very low27Very low179 Ų179136.5 Ų136.578%0.77874%0.743SS**  cis-152.2148.617.6-142.3165-170.7169.30112.3
176N25.1Very low27.1Very low139 Ų139140.2 Ų140.274%0.74374%0.741SS**  trans-7.5141.9162.5-44.710.5000117.8
177K26.8Very low27.1Very low192 Ų192143.9 Ų143.984%0.83575%0.747SS**  -168.2158.183.9-139.9165.1-177175.50116.2
178D25.2Very low27.2Very low132 Ų132144.6 Ų144.671%0.70675%0.751SS**  trans-44144.3173.4-50.9-107.4000116.7
179K29Very low27.1Very low182 Ų182144.7 Ų144.779%0.79175%0.752SS**  177.1132.794.8-99.1174.7-178.2169.10114.8
180R27.6Very low27.1Very low223 Ų223143.6 Ų143.684%0.84276%0.756SS**  trans63.2163.8143.2-73.6-173.6166.5-171.6-3.3117.7
181K28.8Very low27.3Very low188 Ų188143.5 Ų143.582%0.81776%0.755SS**  cis-174.6128-26.4171.3-172.6175.2-169.30107.7
182G26.9Very low27.5Very low65 Ų65146.4 Ų146.467%0.6776%0.757SS**  trans129.8128.9-179.200000109.6
183R28.4Very low27.5Very low233 Ų233144.9 Ų144.988%0.87975%0.751SS**  cis6412218.9-140.9-144.4174.6-171.7-2.5111.7
184T28.7Very low27.6Very low95 Ų95147.9 Ų147.958%0.58375%0.753SS**  cis-155167.79.1-8.90000107E186T184-E186 WeakPolarHBondContact CG2-OE1 3.25Å
185G27.2Very low27.7Very low55 Ų55149.3 Ų149.357%0.56776%0.756SS**  cis-150.1178.91.900000110.2
186E29.5Very low27.7Very low149 Ų149149.3 Ų149.370%0.69676%0.759SS**  68.799.782.9-63.5151.2-158.100110T184T184-E186 WeakPolarHBondContact CG2-OE1 3.25Å
187E27.6Very low27.8Very low181 Ų181152.1 Ų152.185%0.84677%0.768SS**  87.2143.792-80.3159.9-15200111.1
188E30.9Very low28.2Very low176 Ų176150.4 Ų150.482%0.82276%0.763SS**  cis-127.1154.28.3-97.5159.8159.100109.8
189D25.7Very low28.5Very low154 Ų154150.3 Ų150.382%0.82477%0.769SS**  59.2141.685.7-155.419.6000116.8
190G26.6Very low28.4Very low70 Ų70146.4 Ų146.472%0.72277%0.765SS**  trans156.2128.7-176.200000113.8
191V28.3Very low28.3Very low125 Ų125141.9 Ų141.976%0.75876%0.762SS**  trans-131.2163.3-165.4-165.10000111.7
192Q29.1Very low28.4Very low165 Ų165138 Ų13877%0.77176%0.759SS**  trans97.5108.6161.2-54.3-167.1-91.800119
193S26.9Very low28.4Very low91 Ų91138.6 Ų138.664%0.63676%0.764SS**  53.8152110.5-49.90000123.7
194E29.3Very low28.8Very low166 Ų166136.8 Ų136.878%0.77677%0.766SS**  trans68.5152.7157.2-69.5149-122.100117.9
195E27.1Very low29.4Very low175 Ų175138.3 Ų138.382%0.81878%0.778SS**  cis-156.6175.7-44.4-146.1162.2-144.500108.1
196E27.9Very low29.5Very low179 Ų179138.7 Ų138.784%0.83678%0.782SS**  trans36119.2167.9-57.1-157134.600121.8
197E26.8Very low30.3Very low198 Ų198141.3 Ų141.393%0.92579%0.794SS**  -158.2142.8114.1-125.9-176.6178.100111.4
198Q34.2Very low30.6Very low157 Ų157139 Ų13973%0.73479%0.792SS**  trans-95.6168.9164.1-60.7-166.9900109.8
199P33Very low31.2Very low129 Ų129133.7 Ų133.784%0.83878%0.784SS**  -141.3158.492.136.3-22.3000115
200S27Very low32.1Very low100 Ų100135.4 Ų135.470%0.69979%0.787SS**  trans-70.4156178.3-31.10000113.4
201T24.5Very low33.4Very low129 Ų129140.9 Ų140.979%0.79179%0.794SS**  -154.9130.5125.9-164.50000112.6
202S31.4Very low34.8Very low107 Ų107141.1 Ų141.175%0.74879%0.785SS**  trans12.9123.415460.80000120.4
203G27.1Very low36.8Very low76 Ų76137.5 Ų137.578%0.78478%0.776SS**  trans176.582.3161.600000114.8
204E36.9Very low39.4Very low196 Ų196140.7 Ų140.792%0.91678%0.781SS**  trans-63.6142.5148.7-65.1-175.7120.500107.8
205P39.8Very low41.7Very low127 Ų127136.2 Ų136.283%0.82577%0.772SS**  -145.1150.590.237.6-22.8000115.5
206G30.6Very low44.4Very low63 Ų63130 Ų13065%0.64975%0.745SS**  trans90.3109.414000000116.9T208G206-T208 PolarHBondContact O-N 3.48Å
207E44.9Very low47.3Very low203 Ų203128.9 Ų128.995%0.94973%0.733SS**  trans-63.896.6152.1-63.3178.5116.800109.4G209E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 3.06Å
208T35Very low50.3Low134 Ų134125 Ų12582%0.82271%0.713SS**  trans-89.373.116258.80000108.9G206 E210G206-T208 PolarHBondContact O-N 3.48Å; T208-E210 PolarHBondContact O-N 3.41Å
209G42.6Very low52.9Low63 Ų63120.2 Ų120.265%0.64970%0.7SS**  trans-60.8121.1163.200000108.8E207 E211E207-G209 VanDerWaalsContact C-N 3.28Å; E207-G209 PolarHBondContact O-N 3.06Å; G209-E211 VanDerWaalsContact C-N 3.35Å; G209-E211 PolarHBondContact O-N 2.96Å
210E46.1Very low55.6Low190 Ų190120.1 Ų120.189%0.88868%0.683SS**  trans-68.695174.4-71-172.1149.200109.4T208 K212T208-E210 PolarHBondContact O-N 3.41Å; E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.92Å
211E52Low58.7Low186 Ų186123.2 Ų123.287%0.86968%0.679SS**  trans-6091.5170.9-69.8-172.6158.400110.1G209G209-E211 VanDerWaalsContact C-N 3.35Å; G209-E211 PolarHBondContact O-N 2.96Å
212K58.1Low61.9Low129 Ų129117.9 Ų117.956%0.56165%0.649SS**  trans-56.3125.5157.1-75.1-175.3177.5-179.60107E210 E214E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.92Å; K212-E214 PolarHBondContact O-N 3.13Å
213P72.6Confident64.9Low89 Ų89116.1 Ų116.158%0.57863%0.63SS**  trans-54.9138.3-17122.1-33.7000109.5A215 D216 R217P213-A215 PolarHBondContact O-N 2.9Å; P213-D216 HydrophobicContact CG-CB 4.22Å; P213-D216 WeakPolarHBondContact O-CA 3.47Å; P213-D216 WeakPolarHBondContact O-CB 3.43Å; P213-D216 PolarHBondContact O-N 2.85Å; P213-R217 PolarHBondContact O-N 2.95Å
214E80Confident68Low159 Ų159121.7 Ų121.774%0.74363%0.628SS**Hα-helixtrans-54.3-33.1-173-168.8-179.5179.500112.6K212 D216 R217 K218K212-E214 PolarHBondContact O-N 3.13Å; E214-D216 VanDerWaalsContact C-N 3.33Å; E214-D216 PolarHBondContact O-N 2.81Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 WeakPolarHBondContact O-CA 3.49Å; E214-R217 WeakPolarHBondContact O-CB 3.34Å; E214-R217 PolarHBondContact O-N 3.07Å; E214-K218 PolarHBondContact O-N 3.39Å
215A78.1Confident70.8Confident72 Ų72119.5 Ų119.560%0.59562%0.615SS**Hα-helixtrans-55.6-38.1171.200000114.1P213 R217 K218 A219P213-A215 PolarHBondContact O-N 2.9Å; A215-R217 VanDerWaalsContact C-N 3.34Å; A215-K218 PolarHBondContact O-N 3.24Å; A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.32Å
216D84.3Confident73.4Confident45 Ų45114.8 Ų114.824%0.24158%0.582CS.*Hα-helixtrans-67.9-34.2172.8177.952.7000111P213 E214 R220P213-D216 HydrophobicContact CG-CB 4.22Å; P213-D216 WeakPolarHBondContact O-CA 3.47Å; P213-D216 WeakPolarHBondContact O-CB 3.43Å; P213-D216 PolarHBondContact O-N 2.85Å; E214-D216 VanDerWaalsContact C-N 3.33Å; E214-D216 PolarHBondContact O-N 2.81Å; D216-R220 VanDerWaalsContact CG-NH2 3.28Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 WeakPolarHBondContact O-CG 3.41Å; D216-R220 PolarHBondContact O-N 3.05Å; D216-R220 IonicContact OD1-CZ 3.21Å; D216-R220 IonicContact OD1-NE 2.92Å; D216-R220 PolarHBondContact OD1-NE 3.38Å; D216-R220 IonicContact OD1-NH2 2.91Å; D216-R220 PolarHBondContact OD1-NH2 2.91Å; D216-R220 IonicContact OD2-CZ 3.24Å; D216-R220 VanDerWaalsContact OD2-CZ 3.24Å; D216-R220 IonicContact OD2-NE 2.81Å; D216-R220 PolarHBondContact OD2-NE 2.95Å; D216-R220 IonicContact OD2-NH2 2.8Å; D216-R220 PolarHBondContact OD2-NH2 3.42Å
217R87.6Confident76.4Confident155 Ų155113 Ų11359%0.58556%0.557SS**Hα-helixtrans-70.1-40.7173.4-59.5-179.772.9173.2-0.6111.3P213 E214 A215 R221P213-R217 PolarHBondContact O-N 2.95Å; E214-R217 CarbonylContact O-C 3.51Å; E214-R217 WeakPolarHBondContact O-CA 3.49Å; E214-R217 WeakPolarHBondContact O-CB 3.34Å; E214-R217 PolarHBondContact O-N 3.07Å; A215-R217 VanDerWaalsContact C-N 3.34Å; R217-R221 VanDerWaalsContact O-CG 3.29Å; R217-R221 WeakPolarHBondContact O-CG 3.47Å; R217-R221 PolarHBondContact O-N 3.21Å; R217-R221 VanDerWaalsContact O-N 3.07Å
218K90.5Very high78.9Confident116 Ų116105.8 Ų105.850%0.50453%0.533SS..Hα-helixtrans-65.6-48.1175.1-164.8164.8-176.1166.80111E214 A215 R220 R221 A222E214-K218 PolarHBondContact O-N 3.39Å; A215-K218 PolarHBondContact O-N 3.24Å; K218-R220 PolarHBondContact O-N 3.45Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.12Å; K218-R221 VanDerWaalsContact O-N 3.09Å; K218-A222 PolarHBondContact O-N 3.09Å
219A88.9Confident81.8Confident57 Ų57103.4 Ų103.447%0.47151%0.509SS..Hα-helixtrans-61-42.4176.100000113.1A215 R221 A222 L223A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.32Å; A219-R221 VanDerWaalsContact C-N 3.31Å; A219-R221 PolarHBondContact O-N 3.36Å; A219-A222 WeakPolarHBondContact O-CB 3.4Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.24Å
220R89.5Confident84.3Confident126 Ų126100.4 Ų100.448%0.47548%0.478SS..Hα-helixtrans-65.3-31.4173.6-72.5173.6-159.2-83-6.1113.1D216 K218 R224D216-R220 VanDerWaalsContact CG-NH2 3.28Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 WeakPolarHBondContact O-CG 3.41Å; D216-R220 PolarHBondContact O-N 3.05Å; D216-R220 IonicContact OD1-CZ 3.21Å; D216-R220 IonicContact OD1-NE 2.92Å; D216-R220 PolarHBondContact OD1-NE 3.38Å; D216-R220 IonicContact OD1-NH2 2.91Å; D216-R220 PolarHBondContact OD1-NH2 2.91Å; D216-R220 IonicContact OD2-CZ 3.24Å; D216-R220 VanDerWaalsContact OD2-CZ 3.24Å; D216-R220 IonicContact OD2-NE 2.81Å; D216-R220 PolarHBondContact OD2-NE 2.95Å; D216-R220 IonicContact OD2-NH2 2.8Å; D216-R220 PolarHBondContact OD2-NH2 3.42Å; K218-R220 PolarHBondContact O-N 3.45Å; R220-R224 WeakPolarHBondContact O-CD 3.44Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.37Å; R220-R224 PolarHBondContact O-N 2.91Å
221R92.8Very high86.7Confident165 Ų16595.6 Ų95.662%0.62346%0.456SS*.Hα-helixtrans-69.6-43172.3-75.8167.3168.2172.5-5.8110.7R217 K218 A219 R224 K225R217-R221 VanDerWaalsContact O-CG 3.29Å; R217-R221 WeakPolarHBondContact O-CG 3.47Å; R217-R221 PolarHBondContact O-N 3.21Å; R217-R221 VanDerWaalsContact O-N 3.07Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.12Å; K218-R221 VanDerWaalsContact O-N 3.09Å; A219-R221 VanDerWaalsContact C-N 3.31Å; A219-R221 PolarHBondContact O-N 3.36Å; R221-R224 PolarHBondContact O-N 2.97Å; R221-K225 PolarHBondContact O-N 3.3Å; R221-K225 VanDerWaalsContact O-N 3.1Å
222A91.8Very high88.8Confident18 Ų1891.7 Ų91.715%0.14944%0.441CS..Hα-helixtrans-59.1-53.917600000112.3K218 A219 R224 K225 Q226 H482K218-A222 PolarHBondContact O-N 3.09Å; A219-A222 WeakPolarHBondContact O-CB 3.4Å; A219-A222 PolarHBondContact O-N 2.95Å; A222-R224 PolarHBondContact O-N 2.82Å; A222-K225 WeakPolarHBondContact O-CA 3.47Å; A222-K225 WeakPolarHBondContact O-CB 3.19Å; A222-K225 PolarHBondContact O-N 3.32Å; A222-Q226 PolarHBondContact O-N 3.45Å; A222-H482 WeakPolarHBondContact CB-CD2 3.49Å; A222-H482 WeakPolarHBondContact CB-NE2 3.42Å
223L92.8Very high90.5Very high69 Ų6986 Ų8636%0.36142%0.417SS..Hα-helixtrans-56.5-36.8178.3179.861.2000112.3A219 Q226 I227 L281A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.24Å; L223-Q226 PolarHBondContact O-N 3.24Å; L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.38Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 WeakPolarHBondContact O-CB 3.46Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.39Å; L223-L281 HydrophobicContact CD1-CB 4.05Å; L223-L281 HydrophobicContact CD1-CD2 3.72Å; L223-L281 HydrophobicContact CD1-CG 4.38Å
224R94.1Very high91.7Very high193 Ų19383.8 Ų83.873%0.72840%0.399SS*.Hα-helixtrans-67.7-39.2174.2-75173.5-179-150.30.3112.9R220 R221 A222 A228R220-R224 WeakPolarHBondContact O-CD 3.44Å; R220-R224 VanDerWaalsContact O-CG 3.24Å; R220-R224 WeakPolarHBondContact O-CG 3.37Å; R220-R224 PolarHBondContact O-N 2.91Å; R221-R224 PolarHBondContact O-N 2.97Å; A222-R224 PolarHBondContact O-N 2.82Å; R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.17Å
225K94.3Very high92.5Very high150 Ų15082.1 Ų82.165%0.65239%0.39SS*.Hα-helixtrans-62.9-45.6173-71.9-174174.7-171.40110.7R221 A222 A228 Y229R221-K225 PolarHBondContact O-N 3.3Å; R221-K225 VanDerWaalsContact O-N 3.1Å; A222-K225 WeakPolarHBondContact O-CA 3.47Å; A222-K225 WeakPolarHBondContact O-CB 3.19Å; A222-K225 PolarHBondContact O-N 3.32Å; K225-A228 PolarHBondContact O-N 2.88Å; K225-Y229 PolarHBondContact O-N 3.07Å
226Q94Very high93.4Very high28 Ų2883.8 Ų83.813%0.13139%0.388CS..Hα-helixtrans-62.1-46178.5-172.6175.326.700112.5A222 L223 A228 Y229 L230 L281 S478 T479A222-Q226 PolarHBondContact O-N 3.45Å; L223-Q226 PolarHBondContact O-N 3.24Å; Q226-A228 PolarHBondContact O-N 3.09Å; Q226-Y229 PolarHBondContact O-N 2.94Å; Q226-L230 HydrophobicContact CG-CD1 4.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.32Å; Q226-L230 PolarHBondContact O-N 2.94Å; Q226-L281 HydrophobicContact CG-CD1 4.13Å; Q226-S478 PolarHBondContact NE2-OG 2.82Å; Q226-T479 PolarHBondContact NE2-OG1 3.44Å
227I95.3Very high94Very high25 Ų2582.8 Ų82.813%0.12838%0.381CS..Hα-helixtrans-60-45.1175.2-72.2166.7000110.9L223 Y229 L230 E231 L278 L281 K282L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CD1-CG1 4.38Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 WeakPolarHBondContact O-CB 3.46Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.39Å; I227-Y229 PolarHBondContact O-N 3.26Å; I227-L230 PolarHBondContact O-N 3.35Å; I227-E231 HydrophobicContact CG2-CG 4.3Å; I227-E231 WeakPolarHBondContact O-CB 3.28Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.48Å; I227-E231 PolarHBondContact O-N 3.22Å; I227-L278 HydrophobicContact CG2-CD2 4.09Å; I227-L281 HydrophobicContact CD1-CB 4.22Å; I227-L281 HydrophobicContact CG1-CB 3.97Å; I227-L281 HydrophobicContact CG1-CD1 4.44Å; I227-K282 HydrophobicContact CD1-CG 4.05Å
228A96.3Very high94.4Very high52 Ų5278.5 Ų78.543%0.4337%0.37SS..Hα-helixtrans-65.7-35.1179.300000113.1R224 K225 Q226 N232R224-A228 WeakPolarHBondContact O-CB 3.24Å; R224-A228 PolarHBondContact O-N 3.17Å; K225-A228 PolarHBondContact O-N 2.88Å; Q226-A228 PolarHBondContact O-N 3.09Å; A228-N232 WeakPolarHBondContact O-CB 3.47Å; A228-N232 PolarHBondContact O-N 3.44Å; A228-N232 VanDerWaalsContact O-N 3.09Å
229Y95.4Very high94.7Very high84 Ų8476 Ų7633%0.32936%0.362SS..Hα-helixtrans-62.2-52.3172172.1-96.1000111.2K225 Q226 I227 E231 N232 L233K225-Y229 PolarHBondContact O-N 3.07Å; Q226-Y229 PolarHBondContact O-N 2.94Å; I227-Y229 PolarHBondContact O-N 3.26Å; Y229-E231 VanDerWaalsContact C-N 3.34Å; Y229-E231 PolarHBondContact O-N 3.43Å; Y229-N232 PolarHBondContact O-N 3.33Å; Y229-N232 VanDerWaalsContact O-N 3.12Å; Y229-L233 HydrophobicContact CE1-CD2 4.16Å; Y229-L233 PolarHBondContact O-N 2.93Å
230L95.4Very high95.1Very high0 Ų076.2 Ų76.20%035%0.353CS..Hα-helixtrans-65.5-34.4-179.6-68.1173.5000112.4Q226 I227 L233 L234 I274 K277 L278 L281 I475Q226-L230 HydrophobicContact CG-CD1 4.26Å; Q226-L230 WeakPolarHBondContact O-CG 3.32Å; Q226-L230 PolarHBondContact O-N 2.94Å; I227-L230 PolarHBondContact O-N 3.35Å; L230-L233 HydrophobicContact CD2-CD2 4.44Å; L230-L233 PolarHBondContact O-N 3.25Å; L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 PolarHBondContact O-N 3Å; L230-I274 HydrophobicContact CB-CG2 4.17Å; L230-I274 HydrophobicContact CD2-CG2 4.32Å; L230-K277 HydrophobicContact CD1-CG 4.29Å; L230-L278 HydrophobicContact CB-CD1 4.28Å; L230-L278 HydrophobicContact CB-CD2 3.7Å; L230-L278 HydrophobicContact CB-CG 3.91Å; L230-L278 HydrophobicContact CD1-CD2 4.49Å; L230-L281 HydrophobicContact CD1-CD1 3.54Å; L230-I475 HydrophobicContact CD2-CG1 4.49Å
231E96.1Very high95.5Very high90 Ų9070.5 Ų70.542%0.42133%0.332SS..Hα-helixtrans-63.9-38.4171.5-76.9177.2163.400112.4I227 Y229 K235 L278 K282I227-E231 HydrophobicContact CG2-CG 4.3Å; I227-E231 WeakPolarHBondContact O-CB 3.28Å; I227-E231 VanDerWaalsContact O-CG 3.3Å; I227-E231 WeakPolarHBondContact O-CG 3.48Å; I227-E231 PolarHBondContact O-N 3.22Å; Y229-E231 VanDerWaalsContact C-N 3.34Å; Y229-E231 PolarHBondContact O-N 3.43Å; E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact O-N 3.13Å; E231-L278 HydrophobicContact CG-CD1 4.23Å; E231-L278 HydrophobicContact CG-CD2 3.98Å; E231-K282 WeakPolarHBondContact OE1-CE 3.25Å; E231-K282 IonicContact OE1-NZ 3.73Å; E231-K282 PolarHBondContact OE1-NZ 3Å
232N96.3Very high95.7Very high103 Ų10366 Ų6655%0.55132%0.316SS*.Hα-helixtrans-72.5-37.4176.5-174.371.6000112.3A228 Y229 K235 L236A228-N232 WeakPolarHBondContact O-CB 3.47Å; A228-N232 PolarHBondContact O-N 3.44Å; A228-N232 VanDerWaalsContact O-N 3.09Å; Y229-N232 PolarHBondContact O-N 3.33Å; Y229-N232 VanDerWaalsContact O-N 3.12Å; N232-K235 PolarHBondContact O-N 3.45Å; N232-L236 PolarHBondContact O-N 3.43Å
233L95.5Very high96Very high10 Ų1070.8 Ų70.85%0.05233%0.33CS..Hα-helixtrans-65.8-45.3174.2-175.362.8000111.5Y229 L230 K235 L236 Y237 I274Y229-L233 HydrophobicContact CE1-CD2 4.16Å; Y229-L233 PolarHBondContact O-N 2.93Å; L230-L233 HydrophobicContact CD2-CD2 4.44Å; L230-L233 PolarHBondContact O-N 3.25Å; L233-K235 PolarHBondContact O-N 2.64Å; L233-L236 WeakPolarHBondContact O-CB 3.36Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-L236 VanDerWaalsContact O-N 3.12Å; L233-Y237 HydrophobicContact CD1-CD1 4.31Å; L233-Y237 HydrophobicContact CD1-CE1 3.85Å; L233-Y237 HydrophobicContact CG-CE1 4.46Å; L233-Y237 PolarHBondContact O-N 3.02Å; L233-I274 HydrophobicContact CD2-CD1 3.65Å; L233-I274 HydrophobicContact CD2-CG1 4.42Å; L233-I274 HydrophobicContact CG-CD1 3.74Å
234L96.1Very high96.3Very high42 Ų4267.7 Ų67.722%0.2231%0.314CS..Hα-helixtrans-56-40.2173.1-168.480.6000111.6L230 N238 M271 I274 L278L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 PolarHBondContact O-N 3Å; L234-N238 WeakPolarHBondContact O-CB 3.38Å; L234-N238 PolarHBondContact O-N 3.33Å; L234-M271 HydrophobicContact CD1-CB 4.5Å; L234-M271 HydrophobicContact CD1-CG 3.51Å; L234-M271 VanDerWaalsContact CD1-O 3.24Å; L234-M271 WeakPolarHBondContact CD1-O 3.37Å; L234-M271 HydrophobicContact CG-CG 4.31Å; L234-I274 HydrophobicContact CB-CG2 4.06Å; L234-I274 HydrophobicContact CD1-CB 4Å; L234-I274 HydrophobicContact CD1-CG2 3.86Å; L234-L278 HydrophobicContact CB-CD1 4.46Å; L234-L278 HydrophobicContact CD2-CD1 4.04Å
235K96.8Very high96.4Very high125 Ų12560.6 Ų60.654%0.54329%0.289SS..Hα-helixtrans-67.8-44.6175.3-169.2-154.6166.3-152.20112.1E231 N232 L233 Y237 N238 D239E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 PolarHBondContact O-N 3.45Å; L233-K235 PolarHBondContact O-N 2.64Å; K235-Y237 VanDerWaalsContact C-N 3.33Å; K235-Y237 PolarHBondContact O-N 2.82Å; K235-N238 PolarHBondContact O-N 3.45Å; K235-N238 VanDerWaalsContact O-N 3.09Å; K235-D239 WeakPolarHBondContact CE-OD2 3.45Å; K235-D239 IonicContact NZ-OD2 2.78Å; K235-D239 PolarHBondContact O-N 3.1Å
236L96.9Very high96.5Very high107 Ų10758.2 Ų58.256%0.5628%0.28SS*.Hα-helixtrans-56.9-48.1177.5179.664.5000110.9N232 L233 N238 D239 E240N232-L236 PolarHBondContact O-N 3.43Å; L233-L236 WeakPolarHBondContact O-CB 3.36Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-L236 VanDerWaalsContact O-N 3.12Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.22Å; L236-D239 PolarHBondContact O-N 3.25Å; L236-E240 WeakPolarHBondContact O-CB 3.35Å; L236-E240 PolarHBondContact O-N 3.37Å
237Y97.1Very high96.6Very high23 Ų2358.5 Ų58.59%0.0929%0.287CS..Hα-helixtrans-61.5-38.1174.4-72.70.9000112.3L233 K235 E240 I241 K270 M271 I274 I471 E474L233-Y237 HydrophobicContact CD1-CD1 4.31Å; L233-Y237 HydrophobicContact CD1-CE1 3.85Å; L233-Y237 HydrophobicContact CG-CE1 4.46Å; L233-Y237 PolarHBondContact O-N 3.02Å; K235-Y237 VanDerWaalsContact C-N 3.33Å; K235-Y237 PolarHBondContact O-N 2.82Å; Y237-E240 PolarHBondContact O-N 3.27Å; Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.42Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.39Å; Y237-K270 HydrophobicContact CD2-CB 4.29Å; Y237-K270 HydrophobicContact CE2-CB 3.64Å; Y237-M271 HydrophobicContact CD2-CB 4.38Å; Y237-I274 HydrophobicContact CD2-CD1 3.61Å; Y237-I274 HydrophobicContact CE2-CD1 3.36Å; Y237-I471 HydrophobicContact CE2-CD1 3.98Å; Y237-E474 PolarHBondContact OH-OE2 3.22Å
238N96.9Very high96.7Very high65 Ų6566.4 Ų66.435%0.34832%0.324SS..Hα-helixtrans-67.3-38178.6-164.6-107.6000113.3L234 K235 L236 Y242 M271 R379L234-N238 WeakPolarHBondContact O-CB 3.38Å; L234-N238 PolarHBondContact O-N 3.33Å; K235-N238 PolarHBondContact O-N 3.45Å; K235-N238 VanDerWaalsContact O-N 3.09Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.22Å; N238-Y242 PolarHBondContact O-N 3.35Å; N238-Y242 VanDerWaalsContact O-N 3.13Å; N238-M271 HydrophobicContact CB-SD 4.49Å; N238-R379 PolarHBondContact OD1-NH2 2.87Å
239D97.2Very high96.7Very high64 Ų6467.2 Ų67.234%0.34232%0.32SS..Hα-helixtrans-75.8-30.1176.5-73.3-30.1000112K235 L236 Y242 R243 R379K235-D239 WeakPolarHBondContact CE-OD2 3.45Å; K235-D239 IonicContact NZ-OD2 2.78Å; K235-D239 PolarHBondContact O-N 3.1Å; L236-D239 PolarHBondContact O-N 3.25Å; D239-Y242 PolarHBondContact O-N 2.87Å; D239-R243 PolarHBondContact O-N 2.68Å; D239-R379 IonicContact OD1-CZ 3.25Å; D239-R379 IonicContact OD1-NH1 2.83Å; D239-R379 PolarHBondContact OD1-NH1 3.37Å; D239-R379 IonicContact OD1-NH2 2.72Å; D239-R379 PolarHBondContact OD1-NH2 2.96Å; D239-R379 VanDerWaalsContact OD1-NH2 3.08Å
240E97.7Very high96.7Very high61 Ų6165.7 Ų65.729%0.28532%0.322SS..Hα-helixtrans-74.5-39.5172.3179.757.5-165.900113L236 Y237 Y242 R243 L244 L267L236-E240 WeakPolarHBondContact O-CB 3.35Å; L236-E240 PolarHBondContact O-N 3.37Å; Y237-E240 PolarHBondContact O-N 3.27Å; E240-Y242 PolarHBondContact O-N 3.45Å; E240-R243 WeakPolarHBondContact O-CA 3.27Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.1Å; E240-R243 IonicContact OE1-CZ 3.85Å; E240-R243 IonicContact OE1-NE 2.63Å; E240-R243 PolarHBondContact OE1-NE 3.37Å; E240-R243 IonicContact OE1-NH2 2.64Å; E240-R243 PolarHBondContact OE1-NH2 2.89Å; E240-R243 WeakPolarHBondContact OE2-CD 3.23Å; E240-R243 IonicContact OE2-CZ 3.57Å; E240-R243 IonicContact OE2-NE 2.8Å; E240-R243 PolarHBondContact OE2-NE 3.44Å; E240-L244 HydrophobicContact CG-CD1 4.39Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 2.85Å; E240-L267 HydrophobicContact CB-CD2 4.02Å; E240-L267 HydrophobicContact CG-CD2 3.55Å
241I97.7Very high96.8Very high7 Ų772 Ų724%0.03636%0.355CS..Hα-helixtrans-55.7-42.3167.9-74.4162.6000109.9Y237 R243 L244 Q245 E264 L267 K268 M271Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.42Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 3.39Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.42Å; I241-L244 PolarHBondContact O-N 2.93Å; I241-Q245 HydrophobicContact CG2-CG 4.48Å; I241-Q245 WeakPolarHBondContact O-CB 3.17Å; I241-Q245 VanDerWaalsContact O-CG 3.24Å; I241-Q245 WeakPolarHBondContact O-CG 3.27Å; I241-Q245 PolarHBondContact O-N 3.28Å; I241-E264 HydrophobicContact CG2-CG 3.99Å; I241-L267 HydrophobicContact CD1-CB 4.08Å; I241-L267 HydrophobicContact CG1-CB 3.74Å; I241-L267 HydrophobicContact CG1-CD2 4.28Å; I241-K268 HydrophobicContact CD1-CG 3.91Å; I241-K268 HydrophobicContact CG1-CG 4.48Å; I241-M271 HydrophobicContact CD1-CB 4.43Å; I241-M271 HydrophobicContact CD1-CE 4.31Å; I241-M271 HydrophobicContact CD1-SD 3.78Å
242Y97.3Very high96.8Very high69 Ų6973.9 Ų73.927%0.27137%0.368SS..Hα-helixtrans-66.7-31.1175.7178.5-122.9000113.1N238 D239 E240 Q246 R379 L380N238-Y242 PolarHBondContact O-N 3.35Å; N238-Y242 VanDerWaalsContact O-N 3.13Å; D239-Y242 PolarHBondContact O-N 2.87Å; E240-Y242 PolarHBondContact O-N 3.45Å; Y242-Q246 VanDerWaalsContact CE1-NE2 3.3Å; Y242-Q246 HydrophobicContact CE2-CG 4.27Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.32Å; Y242-Q246 PolarHBondContact O-NE2 2.65Å; Y242-R379 HydrophobicContact CD2-CB 3.99Å; Y242-R379 HydrophobicContact CD2-CG 4.21Å; Y242-R379 HydrophobicContact CE2-CB 3.75Å; Y242-R379 HydrophobicContact CE2-CG 4.38Å; Y242-L380 HydrophobicContact CE2-CD2 4.04Å
243R98Very high96.7Very high120 Ų12072.5 Ų72.545%0.45336%0.361SS..Hα-helixtrans-66.7-46.7171.1-169.2-162.866.975.9-2.3111.3D239 E240 I241 Q245 Q246 A247D239-R243 PolarHBondContact O-N 2.68Å; E240-R243 WeakPolarHBondContact O-CA 3.27Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.1Å; E240-R243 IonicContact OE1-CZ 3.85Å; E240-R243 IonicContact OE1-NE 2.63Å; E240-R243 PolarHBondContact OE1-NE 3.37Å; E240-R243 IonicContact OE1-NH2 2.64Å; E240-R243 PolarHBondContact OE1-NH2 2.89Å; E240-R243 WeakPolarHBondContact OE2-CD 3.23Å; E240-R243 IonicContact OE2-CZ 3.57Å; E240-R243 IonicContact OE2-NE 2.8Å; E240-R243 PolarHBondContact OE2-NE 3.44Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.42Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.71Å; R243-Q246 PolarHBondContact O-N 2.84Å; R243-Q246 VanDerWaalsContact O-N 3.12Å; R243-A247 PolarHBondContact O-N 3.4Å
244L97.4Very high96.6Very high4 Ų478.2 Ų78.22%0.02139%0.388CS..Hα-helixtrans-61.7-41178.9-70.4165.5000111.7E240 I241 Q246 A247 T260 Q263 E264 L267E240-L244 HydrophobicContact CG-CD1 4.39Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 2.85Å; I241-L244 PolarHBondContact O-N 2.93Å; L244-Q246 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact O-N 3.13Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-T260 HydrophobicContact CD2-CG2 4.03Å; L244-Q263 HydrophobicContact CD1-CB 4.01Å; L244-Q263 HydrophobicContact CD2-CB 4.1Å; L244-E264 HydrophobicContact CB-CB 4.15Å; L244-E264 HydrophobicContact CB-CG 4.32Å; L244-E264 HydrophobicContact CD1-CB 4.39Å; L244-L267 HydrophobicContact CD1-CD1 4.37Å; L244-L267 HydrophobicContact CD1-CD2 4.18Å
245Q96.9Very high96.5Very high43 Ų4384.6 Ų84.620%0.20142%0.417CS..THydrogen-bonded Turntrans-61.6-17.1174.3-75.6173.5-3.600115.1I241 R243 E264 S378 L380I241-Q245 HydrophobicContact CG2-CG 4.48Å; I241-Q245 WeakPolarHBondContact O-CB 3.17Å; I241-Q245 VanDerWaalsContact O-CG 3.24Å; I241-Q245 WeakPolarHBondContact O-CG 3.27Å; I241-Q245 PolarHBondContact O-N 3.28Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.71Å; Q245-E264 HydrophobicContact CG-CG 4.21Å; Q245-E264 WeakPolarHBondContact CG-OE1 3.32Å; Q245-E264 PolarHBondContact NE2-OE1 3.32Å; Q245-S378 PolarHBondContact OE1-OG 3.26Å; Q245-L380 VanDerWaalsContact O-CD1 3.31Å; Q245-L380 WeakPolarHBondContact O-CD1 3.49Å
246Q96.7Very high96.4Very high101 Ų10180.2 Ų80.247%0.47240%0.404SS..THydrogen-bonded Turntrans-99.4-3.7176.8-73169.5100.700112.9Y242 R243 L244 L380Y242-Q246 VanDerWaalsContact CE1-NE2 3.3Å; Y242-Q246 HydrophobicContact CE2-CG 4.27Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.32Å; Y242-Q246 PolarHBondContact O-NE2 2.65Å; R243-Q246 PolarHBondContact O-N 2.84Å; R243-Q246 VanDerWaalsContact O-N 3.12Å; L244-Q246 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact O-N 3.13Å; Q246-L380 HydrophobicContact CG-CD1 4.27Å; Q246-L380 HydrophobicContact CG-CD2 4.04Å
247A96.7Very high96.3Very high33 Ų3383.7 Ų83.727%0.27342%0.418SS..PPolyproline II helixtrans-75.9128.2175.700000110.3R243 L244 T260R243-A247 PolarHBondContact O-N 3.4Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 3.36Å; A247-T260 HydrophobicContact CB-CG2 3.96Å
248E96.1Very high96.1Very high192 Ų19287.7 Ų87.790%0.89744%0.44SS*.PPolyproline II helixtrans-75.4136167.3-62.1-179179.400108.9
249L96Very high96Very high68 Ų6885.2 Ų85.236%0.35643%0.428SS..PPolyproline II helixtrans-101.5132.1173.9-72.676.4000109.3D253 M254 T260L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CG-CB 4.46Å; L249-M254 HydrophobicContact CB-CG 4.18Å; L249-M254 HydrophobicContact CD2-CG 4.15Å; L249-T260 VanDerWaalsContact CD1-OG1 3.27Å; L249-T260 WeakPolarHBondContact CD1-OG1 3.41Å; L249-T260 WeakPolarHBondContact CG-OG1 3.38Å
250S96.7Very high96Very high52 Ų5283.7 Ų83.736%0.36442%0.421SS..  trans-78.4174.1162.675.70000111.2D252 D253 M254S250-D252 VanDerWaalsContact C-N 3.32Å; S250-D252 PolarHBondContact OG-N 2.8Å; S250-D253 WeakPolarHBondContact CA-OD2 3.48Å; S250-D253 WeakPolarHBondContact CB-OD2 3.27Å; S250-D253 PolarHBondContact N-OD2 3.03Å; S250-D253 PolarHBondContact O-N 2.89Å; S250-D253 VanDerWaalsContact OG-CG 3.23Å; S250-D253 PolarHBondContact OG-N 2.83Å; S250-D253 PolarHBondContact OG-OD2 3.43Å; S250-M254 WeakPolarHBondContact O-CG 3.44Å; S250-M254 PolarHBondContact O-N 3.35Å
251L96.1Very high95.9Very high132 Ų13288 Ų8869%0.69144%0.436SS*.Hα-helixtrans-65.4-38.6175-62.9177.2000111.4D253 M254 E255L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 2.86Å; L251-M254 HydrophobicContact CD2-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.3Å; L251-M254 PolarHBondContact O-N 2.86Å; L251-M254 VanDerWaalsContact O-N 3.09Å; L251-E255 PolarHBondContact O-N 3.07Å
252D95.7Very high95.9Very high131 Ų13190.3 Ų90.370%0.70145%0.448SS*.Hα-helixtrans-63.8-39176.5-52.95.9000110.4S250 M254 E255S250-D252 VanDerWaalsContact C-N 3.32Å; S250-D252 PolarHBondContact OG-N 2.8Å; D252-M254 VanDerWaalsContact C-N 3.31Å; D252-M254 PolarHBondContact O-N 3.39Å; D252-E255 PolarHBondContact O-N 2.92Å
253D95Very high95.8Very high74 Ų7490.2 Ų90.240%0.39645%0.45SS..Hα-helixtrans-67.9-28.4173.3-57-61.7000112.5L249 S250 L251 E255 A256 S259L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CG-CB 4.46Å; S250-D253 WeakPolarHBondContact CA-OD2 3.48Å; S250-D253 WeakPolarHBondContact CB-OD2 3.27Å; S250-D253 PolarHBondContact N-OD2 3.03Å; S250-D253 PolarHBondContact O-N 2.89Å; S250-D253 VanDerWaalsContact OG-CG 3.23Å; S250-D253 PolarHBondContact OG-N 2.83Å; S250-D253 PolarHBondContact OG-OD2 3.43Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 2.86Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-A256 PolarHBondContact O-N 3.27Å; D253-S259 WeakPolarHBondContact O-CB 3.34Å
254M93.9Very high95.7Very high129 Ų12985.4 Ų85.464%0.63543%0.433SS*.Hα-helixtrans-73.1-20.2176-73.2179.662.200113.1L249 S250 L251 D252L249-M254 HydrophobicContact CB-CG 4.18Å; L249-M254 HydrophobicContact CD2-CG 4.15Å; S250-M254 WeakPolarHBondContact O-CG 3.44Å; S250-M254 PolarHBondContact O-N 3.35Å; L251-M254 HydrophobicContact CD2-SD 4.33Å; L251-M254 WeakPolarHBondContact O-CB 3.3Å; L251-M254 PolarHBondContact O-N 2.86Å; L251-M254 VanDerWaalsContact O-N 3.09Å; D252-M254 VanDerWaalsContact C-N 3.31Å; D252-M254 PolarHBondContact O-N 3.39Å
255E93.8Very high95.7Very high177 Ų17789.2 Ų89.283%0.82745%0.45SS*.THydrogen-bonded Turntrans-87.4-9.5173.5-65.2-174.4-177.700112.6L251 D252 D253L251-E255 PolarHBondContact O-N 3.07Å; D252-E255 PolarHBondContact O-N 2.92Å; D253-E255 VanDerWaalsContact C-N 3.29Å
256A95.4Very high95.6Very high32 Ų3291.7 Ų91.726%0.26446%0.46SS..  trans-81.4130.1-17700000114D253 D258 S259D253-A256 PolarHBondContact O-N 3.27Å; A256-D258 PolarHBondContact O-N 3.17Å; A256-S259 VanDerWaalsContact O-CB 3.32Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 VanDerWaalsContact O-N 3.16Å; A256-S259 PolarHBondContact O-OG 2.8Å
257E93.6Very high95.6Very high181 Ų18188.6 Ų88.685%0.84645%0.447SS*.THydrogen-bonded Turntrans-62.3-25.6178.4-62.2-179.4-172.700113.8I262E257-I262 WeakPolarHBondContact O-CG2 3.49Å
258D93.2Very high95.6Very high107 Ų10791 Ų9157%0.57245%0.451SS*.THydrogen-bonded Turntrans-110.721.8178.472.7-35.3000113A256 Q263A256-D258 PolarHBondContact O-N 3.17Å; D258-Q263 WeakPolarHBondContact O-CG 3.49Å; D258-Q263 PolarHBondContact O-NE2 3.02Å
259S95.8Very high95.5Very high13 Ų1386 Ų869%0.09142%0.424CS..  trans-52.1155.2176.868.20000113.6D253 A256 Y261 I262 Q263D253-S259 WeakPolarHBondContact O-CB 3.34Å; A256-S259 VanDerWaalsContact O-CB 3.32Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 VanDerWaalsContact O-N 3.16Å; A256-S259 PolarHBondContact O-OG 2.8Å; S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 VanDerWaalsContact O-N 3.07Å; S259-I262 WeakPolarHBondContact O-CA 3.27Å; S259-I262 PolarHBondContact O-N 3.13Å; S259-I262 WeakPolarHBondContact OG-CG1 3.39Å; S259-Q263 PolarHBondContact O-N 3.16Å
260T96.5Very high95.5Very high32 Ų3284.1 Ų84.120%0.19641%0.413CS..Hα-helixtrans-56.3-30-177.350.10000113.4L244 A247 L249 E264L244-T260 HydrophobicContact CD2-CG2 4.03Å; A247-T260 HydrophobicContact CB-CG2 3.96Å; L249-T260 VanDerWaalsContact CD1-OG1 3.27Å; L249-T260 WeakPolarHBondContact CD1-OG1 3.41Å; L249-T260 WeakPolarHBondContact CG-OG1 3.38Å; T260-E264 WeakPolarHBondContact O-CB 3.41Å; T260-E264 PolarHBondContact O-N 3.08Å
261Y96.4Very high95.4Very high152 Ų15283.3 Ų83.360%0.59640%0.404SS*.Hα-helixtrans-68.6-42.3172.8179.2-103.3000112.8S259 E264 H265S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 VanDerWaalsContact O-N 3.07Å; Y261-E264 WeakPolarHBondContact O-CB 3.43Å; Y261-E264 PolarHBondContact O-N 3.01Å; Y261-H265 PolarHBondContact O-N 3.32Å
262I96.6Very high95.4Very high55 Ų5580.9 Ų80.928%0.28239%0.39SS..Hα-helixtrans-70.3-35175.4-59.8-62000111E257 S259 H265 K266E257-I262 WeakPolarHBondContact O-CG2 3.49Å; S259-I262 WeakPolarHBondContact O-CA 3.27Å; S259-I262 PolarHBondContact O-N 3.13Å; S259-I262 WeakPolarHBondContact OG-CG1 3.39Å; I262-H265 PolarHBondContact O-N 2.97Å; I262-K266 HydrophobicContact CG2-CD 4.17Å; I262-K266 WeakPolarHBondContact O-CG 3.35Å; I262-K266 PolarHBondContact O-N 3.36Å
263Q95.8Very high95.3Very high66 Ų6677.5 Ų77.531%0.30837%0.369SS..Hα-helixtrans-60.9-47.5169.1-64.6178.32600111L244 D258 S259 H265 K266 L267L244-Q263 HydrophobicContact CD1-CB 4.01Å; L244-Q263 HydrophobicContact CD2-CB 4.1Å; D258-Q263 WeakPolarHBondContact O-CG 3.49Å; D258-Q263 PolarHBondContact O-NE2 3.02Å; S259-Q263 PolarHBondContact O-N 3.16Å; Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.02Å; Q263-K266 PolarHBondContact O-N 2.93Å; Q263-L267 WeakPolarHBondContact O-CD1 3.42Å; Q263-L267 PolarHBondContact O-N 3.18Å
264E96.3Very high95.3Very high20 Ų2074 Ų749%0.09335%0.35CS..Hα-helixtrans-58.2-41.8177.6-163.9-158.5151.300111.4I241 L244 Q245 T260 Y261 K268I241-E264 HydrophobicContact CG2-CG 3.99Å; L244-E264 HydrophobicContact CB-CB 4.15Å; L244-E264 HydrophobicContact CB-CG 4.32Å; L244-E264 HydrophobicContact CD1-CB 4.39Å; Q245-E264 HydrophobicContact CG-CG 4.21Å; Q245-E264 WeakPolarHBondContact CG-OE1 3.32Å; Q245-E264 PolarHBondContact NE2-OE1 3.32Å; T260-E264 WeakPolarHBondContact O-CB 3.41Å; T260-E264 PolarHBondContact O-N 3.08Å; Y261-E264 WeakPolarHBondContact O-CB 3.43Å; Y261-E264 PolarHBondContact O-N 3.01Å; E264-K268 VanDerWaalsContact O-CG 3.31Å; E264-K268 WeakPolarHBondContact O-CG 3.2Å; E264-K268 PolarHBondContact O-N 3.13Å; E264-K268 WeakPolarHBondContact OE1-CE 2.97Å; E264-K268 IonicContact OE1-NZ 3.13Å; E264-K268 PolarHBondContact OE1-NZ 3.21Å
265H96Very high95.4Very high84 Ų8470.8 Ų70.839%0.38933%0.331SS..Hα-helixtrans-62.2-50.5174.5179.1-125.5000112.1Y261 I262 Q263 L267 K268 R269Y261-H265 PolarHBondContact O-N 3.32Å; I262-H265 PolarHBondContact O-N 2.97Å; Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.02Å; H265-L267 PolarHBondContact O-N 3.04Å; H265-K268 WeakPolarHBondContact O-CB 3.45Å; H265-K268 PolarHBondContact O-N 3.25Å; H265-R269 PolarHBondContact CE1-NH1 3.16Å; H265-R269 WeakPolarHBondContact O-CG 3.44Å; H265-R269 PolarHBondContact O-N 3.21Å; H265-R269 VanDerWaalsContact O-N 3.11Å
266K95.8Very high95.5Very high95 Ų9566.9 Ų66.941%0.41331%0.313SS..Hα-helixtrans-57.6-46.4178.1-73.4169.4178.8171.50111.6I262 Q263 K268 R269 K270I262-K266 HydrophobicContact CG2-CD 4.17Å; I262-K266 WeakPolarHBondContact O-CG 3.35Å; I262-K266 PolarHBondContact O-N 3.36Å; Q263-K266 PolarHBondContact O-N 2.93Å; K266-K268 PolarHBondContact O-N 3.08Å; K266-R269 PolarHBondContact O-N 2.85Å; K266-K270 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-N 3.12Å
267L96.3Very high95.5Very high36 Ų3668.5 Ų68.519%0.18831%0.314CS..Hα-helixtrans-63.5-38.8176.7-89.178.6000112.5E240 I241 L244 Q263 H265 R269 K270 M271E240-L267 HydrophobicContact CB-CD2 4.02Å; E240-L267 HydrophobicContact CG-CD2 3.55Å; I241-L267 HydrophobicContact CD1-CB 4.08Å; I241-L267 HydrophobicContact CG1-CB 3.74Å; I241-L267 HydrophobicContact CG1-CD2 4.28Å; L244-L267 HydrophobicContact CD1-CD1 4.37Å; L244-L267 HydrophobicContact CD1-CD2 4.18Å; Q263-L267 WeakPolarHBondContact O-CD1 3.42Å; Q263-L267 PolarHBondContact O-N 3.18Å; H265-L267 PolarHBondContact O-N 3.04Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.93Å; L267-K270 PolarHBondContact O-N 3.45Å; L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.47Å; L267-M271 PolarHBondContact O-N 3.1Å
268K95.9Very high95.6Very high82 Ų8260.1 Ų60.136%0.35728%0.275SS..Hα-helixtrans-60.2-39.5174-77.7171.9-175.7168.10112.2I241 E264 H265 K266 M271 M272I241-K268 HydrophobicContact CD1-CG 3.91Å; I241-K268 HydrophobicContact CG1-CG 4.48Å; E264-K268 VanDerWaalsContact O-CG 3.31Å; E264-K268 WeakPolarHBondContact O-CG 3.2Å; E264-K268 PolarHBondContact O-N 3.13Å; E264-K268 WeakPolarHBondContact OE1-CE 2.97Å; E264-K268 IonicContact OE1-NZ 3.13Å; E264-K268 PolarHBondContact OE1-NZ 3.21Å; H265-K268 WeakPolarHBondContact O-CB 3.45Å; H265-K268 PolarHBondContact O-N 3.25Å; K266-K268 PolarHBondContact O-N 3.08Å; K268-M271 PolarHBondContact O-N 2.97Å; K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.05Å; K268-M272 VanDerWaalsContact O-N 3.13Å
269R95.6Very high95.8Very high89 Ų8955.7 Ų55.734%0.33625%0.252SS..Hα-helixtrans-65.1-47.4176.6-57.8-151.9-65.2-159.213.4111.5H265 K266 L267 M271 M272 K273 D464H265-R269 PolarHBondContact CE1-NH1 3.16Å; H265-R269 WeakPolarHBondContact O-CG 3.44Å; H265-R269 PolarHBondContact O-N 3.21Å; H265-R269 VanDerWaalsContact O-N 3.11Å; K266-R269 PolarHBondContact O-N 2.85Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.93Å; R269-M271 VanDerWaalsContact C-N 3.33Å; R269-M271 PolarHBondContact O-N 3.36Å; R269-M272 PolarHBondContact O-N 3.21Å; R269-K273 PolarHBondContact O-N 2.94Å; R269-D464 IonicContact CZ-OD2 3.3Å; R269-D464 IonicContact NH1-OD2 2.86Å; R269-D464 PolarHBondContact NH1-OD2 2.72Å; R269-D464 IonicContact NH2-OD1 2.89Å; R269-D464 IonicContact NH2-OD2 2.61Å; R269-D464 PolarHBondContact NH2-OD2 2.83Å
270K94.8Very high95.8Very high27 Ų2761 Ų6112%0.11728%0.275CS..Hα-helixtrans-59.1-41.3174.1-66.6-170.1171.5175.20112.5Y237 K266 L267 M272 K273 I274 D468 D470 I471Y237-K270 HydrophobicContact CD2-CB 4.29Å; Y237-K270 HydrophobicContact CE2-CB 3.64Å; K266-K270 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-N 3.12Å; L267-K270 PolarHBondContact O-N 3.45Å; K270-M272 VanDerWaalsContact C-N 3.32Å; K270-M272 PolarHBondContact O-N 2.64Å; K270-K273 PolarHBondContact O-N 2.95Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.32Å; K270-I274 VanDerWaalsContact O-N 3.1Å; K270-D468 VanDerWaalsContact CE-CG 3.47Å; K270-D468 WeakPolarHBondContact CE-OD2 3.37Å; K270-D468 IonicContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.05Å; K270-D468 PolarHBondContact NZ-OD2 3.36Å; K270-D470 IonicContact NZ-OD2 3.91Å; K270-D470 PolarHBondContact NZ-OD2 3.42Å; K270-I471 HydrophobicContact CB-CB 4.48Å; K270-I471 HydrophobicContact CB-CD1 3.94Å; K270-I471 HydrophobicContact CB-CG1 3.93Å; K270-I471 HydrophobicContact CD-CB 4.04Å; K270-I471 HydrophobicContact CD-CD1 4.22Å; K270-I471 HydrophobicContact CD-CG1 4.3Å; K270-I471 HydrophobicContact CG-CB 3.98Å; K270-I471 HydrophobicContact CG-CD1 4.26Å; K270-I471 HydrophobicContact CG-CG1 3.99Å; K270-I471 HydrophobicContact CG-CG2 4.47Å
271M95.6Very high95.7Very high36 Ų3661.3 Ų61.318%0.17728%0.276CS..Hα-helixtrans-60.1-37.8176.6-172.1-173.868.900112.6L234 Y237 N238 I241 L267 K268 R269 Y275L234-M271 HydrophobicContact CD1-CB 4.5Å; L234-M271 HydrophobicContact CD1-CG 3.51Å; L234-M271 VanDerWaalsContact CD1-O 3.24Å; L234-M271 WeakPolarHBondContact CD1-O 3.37Å; L234-M271 HydrophobicContact CG-CG 4.31Å; Y237-M271 HydrophobicContact CD2-CB 4.38Å; N238-M271 HydrophobicContact CB-SD 4.49Å; I241-M271 HydrophobicContact CD1-CB 4.43Å; I241-M271 HydrophobicContact CD1-CE 4.31Å; I241-M271 HydrophobicContact CD1-SD 3.78Å; L267-M271 VanDerWaalsContact O-CB 3.29Å; L267-M271 WeakPolarHBondContact O-CB 3.47Å; L267-M271 PolarHBondContact O-N 3.1Å; K268-M271 PolarHBondContact O-N 2.97Å; R269-M271 VanDerWaalsContact C-N 3.33Å; R269-M271 PolarHBondContact O-N 3.36Å; M271-Y275 PolarHBondContact O-N 3.48Å
272M95Very high95.6Very high80 Ų8058.6 Ų58.639%0.39427%0.267SS..Hα-helixtrans-71.1-41.3176.5-66.9-56.1-63.900112.5K268 R269 K270 I274 Y275 E276K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.05Å; K268-M272 VanDerWaalsContact O-N 3.13Å; R269-M272 PolarHBondContact O-N 3.21Å; K270-M272 VanDerWaalsContact C-N 3.32Å; K270-M272 PolarHBondContact O-N 2.64Å; M272-I274 VanDerWaalsContact C-N 3.29Å; M272-I274 PolarHBondContact O-N 2.78Å; M272-Y275 HydrophobicContact CE-CD1 4.07Å; M272-Y275 WeakPolarHBondContact O-CB 3.45Å; M272-Y275 PolarHBondContact O-N 3.47Å; M272-E276 WeakPolarHBondContact O-CG 3.4Å; M272-E276 PolarHBondContact O-N 3.01Å
273K95.2Very high95.5Very high60 Ų6059.5 Ų59.526%0.26129%0.29SS..Hα-helixtrans-56.3-41.9172.4-74.7-172.7166.6-170.80111.8R269 K270 E276 K277 S466 I471 E472R269-K273 PolarHBondContact O-N 2.94Å; K270-K273 PolarHBondContact O-N 2.95Å; K273-E276 PolarHBondContact O-N 2.76Å; K273-K277 PolarHBondContact O-N 3.49Å; K273-S466 PolarHBondContact NZ-O 3.01Å; K273-I471 HydrophobicContact CD-CG2 3.72Å; K273-E472 IonicContact NZ-OE1 3.32Å; K273-E472 PolarHBondContact NZ-OE1 3.33Å
274I94.8Very high95.4Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-64.6-42.3173.9-64.2166.3000111.7L230 L233 L234 Y237 K270 M272 E276 K277 L278 I471L230-I274 HydrophobicContact CB-CG2 4.17Å; L230-I274 HydrophobicContact CD2-CG2 4.32Å; L233-I274 HydrophobicContact CD2-CD1 3.65Å; L233-I274 HydrophobicContact CD2-CG1 4.42Å; L233-I274 HydrophobicContact CG-CD1 3.74Å; L234-I274 HydrophobicContact CB-CG2 4.06Å; L234-I274 HydrophobicContact CD1-CB 4Å; L234-I274 HydrophobicContact CD1-CG2 3.86Å; Y237-I274 HydrophobicContact CD2-CD1 3.61Å; Y237-I274 HydrophobicContact CE2-CD1 3.36Å; K270-I274 WeakPolarHBondContact O-CG1 3.42Å; K270-I274 PolarHBondContact O-N 3.32Å; K270-I274 VanDerWaalsContact O-N 3.1Å; M272-I274 VanDerWaalsContact C-N 3.29Å; M272-I274 PolarHBondContact O-N 2.78Å; I274-E276 PolarHBondContact O-N 2.9Å; I274-K277 PolarHBondContact O-N 3.12Å; I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.4Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.19Å; I274-I471 HydrophobicContact CD1-CD1 3.99Å; I274-I471 HydrophobicContact CG1-CD1 4.07Å
275Y96Very high95.3Very high63 Ų6363 Ų6325%0.24732%0.323CS..Hα-helixtrans-62.2-41.4178.2169.6-98.8000112.2M271 M272 L278 C279 L287 T288M271-Y275 PolarHBondContact O-N 3.48Å; M272-Y275 HydrophobicContact CE-CD1 4.07Å; M272-Y275 WeakPolarHBondContact O-CB 3.45Å; M272-Y275 PolarHBondContact O-N 3.47Å; Y275-L278 PolarHBondContact O-N 3.48Å; Y275-C279 PolarHBondContact O-N 3.17Å; Y275-C279 PolarHBondContact O-SG 3.45Å; Y275-L287 PolarHBondContact OH-O 3.05Å; Y275-T288 HydrophobicContact CE1-CG2 4.08Å
276E95.6Very high95.2Very high95 Ų9562.3 Ų62.344%0.44433%0.327SS..Hα-helixtrans-63.7-46.2175.2-72.4165.5176.200111M272 K273 I274 L278 C279 E280M272-E276 WeakPolarHBondContact O-CG 3.4Å; M272-E276 PolarHBondContact O-N 3.01Å; K273-E276 PolarHBondContact O-N 2.76Å; I274-E276 PolarHBondContact O-N 2.9Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.26Å; E276-C279 WeakPolarHBondContact O-CA 3.41Å; E276-C279 WeakPolarHBondContact O-CB 3.41Å; E276-C279 PolarHBondContact O-N 2.83Å; E276-E280 PolarHBondContact O-N 2.95Å
277K94.9Very high95.1Very high65 Ų6563 Ų6328%0.28334%0.335SS..Hα-helixtrans-59.8-40174-157.375.6-162.71640112.8L230 K273 I274 C279 E280 L281 I475L230-K277 HydrophobicContact CD1-CG 4.29Å; K273-K277 PolarHBondContact O-N 3.49Å; I274-K277 PolarHBondContact O-N 3.12Å; K277-C279 VanDerWaalsContact C-N 3.3Å; K277-C279 PolarHBondContact O-N 2.95Å; K277-E280 WeakPolarHBondContact CD-OE2 3.48Å; K277-E280 VanDerWaalsContact CE-OE2 3.27Å; K277-E280 WeakPolarHBondContact CE-OE2 3.31Å; K277-E280 IonicContact NZ-OE2 3.89Å; K277-E280 PolarHBondContact NZ-OE2 3.33Å; K277-E280 PolarHBondContact O-N 2.87Å; K277-L281 HydrophobicContact CG-CD1 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 VanDerWaalsContact O-CG 3.28Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.86Å; K277-I475 HydrophobicContact CD-CG2 3.95Å; K277-I475 HydrophobicContact CG-CG2 4.01Å
278L95.9Very high95Very high6 Ų664.8 Ų64.83%0.03135%0.348CS..Hα-helixtrans-64.6-32.7173.3-81.2169.7000112.6I227 L230 E231 L234 I274 Y275 E276 K282I227-L278 HydrophobicContact CG2-CD2 4.09Å; L230-L278 HydrophobicContact CB-CD1 4.28Å; L230-L278 HydrophobicContact CB-CD2 3.7Å; L230-L278 HydrophobicContact CB-CG 3.91Å; L230-L278 HydrophobicContact CD1-CD2 4.49Å; E231-L278 HydrophobicContact CG-CD1 4.23Å; E231-L278 HydrophobicContact CG-CD2 3.98Å; L234-L278 HydrophobicContact CB-CD1 4.46Å; L234-L278 HydrophobicContact CD2-CD1 4.04Å; I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.4Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.19Å; Y275-L278 PolarHBondContact O-N 3.48Å; E276-L278 VanDerWaalsContact C-N 3.32Å; E276-L278 PolarHBondContact O-N 3.26Å; L278-K282 VanDerWaalsContact O-CB 3.32Å; L278-K282 WeakPolarHBondContact O-CB 3.39Å; L278-K282 WeakPolarHBondContact O-CD 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.35Å
279C96.4Very high94.9Very high13 Ų1363.6 Ų63.69%0.08836%0.359CS..Hα-helixtrans-69.5-44.9173.9-68.30000111.5Y275 E276 K277 K282 G283 C284Y275-C279 PolarHBondContact O-N 3.17Å; Y275-C279 PolarHBondContact O-SG 3.45Å; E276-C279 WeakPolarHBondContact O-CA 3.41Å; E276-C279 WeakPolarHBondContact O-CB 3.41Å; E276-C279 PolarHBondContact O-N 2.83Å; K277-C279 VanDerWaalsContact C-N 3.3Å; K277-C279 PolarHBondContact O-N 2.95Å; C279-K282 PolarHBondContact O-N 3.05Å; C279-G283 PolarHBondContact O-N 3.5Å; C279-C284 HydrophobicContact CB-CB 4.41Å; C279-C284 PolarHBondContact O-N 3.49Å
280E95.6Very high94.8Very high124 Ų12464.2 Ų64.258%0.57936%0.361SS*.Hα-helixtrans-55.7-55.4173.6-67.1-174.2156.300111.9E276 K277 K282 G283E276-E280 PolarHBondContact O-N 2.95Å; K277-E280 WeakPolarHBondContact CD-OE2 3.48Å; K277-E280 VanDerWaalsContact CE-OE2 3.27Å; K277-E280 WeakPolarHBondContact CE-OE2 3.31Å; K277-E280 IonicContact NZ-OE2 3.89Å; K277-E280 PolarHBondContact NZ-OE2 3.33Å; K277-E280 PolarHBondContact O-N 2.87Å; E280-K282 PolarHBondContact O-N 2.63Å; E280-K282 VanDerWaalsContact O-N 3.15Å; E280-G283 PolarHBondContact O-N 2.91Å
281L94.9Very high94.9Very high39 Ų3963.5 Ų63.520%0.20436%0.359CS..Hα-helixtrans-63.3-23.2-175.9-67.7172.5000113.1L223 Q226 I227 L230 K277L223-L281 HydrophobicContact CD1-CB 4.05Å; L223-L281 HydrophobicContact CD1-CD2 3.72Å; L223-L281 HydrophobicContact CD1-CG 4.38Å; Q226-L281 HydrophobicContact CG-CD1 4.13Å; I227-L281 HydrophobicContact CD1-CB 4.22Å; I227-L281 HydrophobicContact CG1-CB 3.97Å; I227-L281 HydrophobicContact CG1-CD1 4.44Å; L230-L281 HydrophobicContact CD1-CD1 3.54Å; K277-L281 HydrophobicContact CG-CD1 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 VanDerWaalsContact O-CG 3.28Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.86Å
282K95.1Very high94.7Very high96 Ų9663.5 Ų63.542%0.41736%0.359SS..Hα-helixtrans-93.4-11.5175-69172.6-177.4173.90113.8I227 E231 L278 C279 E280 C284I227-K282 HydrophobicContact CD1-CG 4.05Å; E231-K282 WeakPolarHBondContact OE1-CE 3.25Å; E231-K282 IonicContact OE1-NZ 3.73Å; E231-K282 PolarHBondContact OE1-NZ 3Å; L278-K282 VanDerWaalsContact O-CB 3.32Å; L278-K282 WeakPolarHBondContact O-CB 3.39Å; L278-K282 WeakPolarHBondContact O-CD 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.39Å; L278-K282 PolarHBondContact O-N 3.35Å; C279-K282 PolarHBondContact O-N 3.05Å; E280-K282 PolarHBondContact O-N 2.63Å; E280-K282 VanDerWaalsContact O-N 3.15Å; K282-C284 HydrophobicContact CB-CB 4.48Å
283G93.4Very high94.6Very high74 Ų7462.4 Ų62.476%0.76335%0.353SS*.THydrogen-bonded Turntrans69.231.1-172.200000113.6C279 E280C279-G283 PolarHBondContact O-N 3.5Å; E280-G283 PolarHBondContact O-N 2.91Å
284C94.9Very high94.5Very high80 Ų8065 Ų6554%0.54137%0.366SS..  trans-101161.8-179.9-72.40000111.9C279 K282C279-C284 HydrophobicContact CB-CB 4.41Å; C279-C284 PolarHBondContact O-N 3.49Å; K282-C284 HydrophobicContact CB-CB 4.48Å
285S94.1Very high94.5Very high79 Ų7971.3 Ų71.355%0.55239%0.39SS*.  trans-80.3143.2167.7-166.50000109.9L287S285-L287 PolarHBondContact O-N 3.05Å
286S93.8Very high94.5Very high69 Ų6969 Ų6948%0.48338%0.382SS..  trans-71.817.4172.950.40000114.8
287L93.4Very high94.5Very high111 Ų11174.2 Ų74.258%0.58140%0.397SS*.  trans-76.9125.6178.6-73.2171.7000109.7Y275 S285 E293Y275-L287 PolarHBondContact OH-O 3.05Å; S285-L287 PolarHBondContact O-N 3.05Å; L287-E293 HydrophobicContact CD2-CB 4.36Å; L287-E293 HydrophobicContact CD2-CG 3.98Å
288T93.9Very high94.6Very high73 Ų7371.5 Ų71.545%0.44839%0.385SS..  trans-88.5-12.2-173.863.40000113.2Y275 R290 E293Y275-T288 HydrophobicContact CE1-CG2 4.08Å; T288-R290 WeakPolarHBondContact OG1-CD 3.35Å; T288-R290 VanDerWaalsContact OG1-CG 3.31Å; T288-R290 WeakPolarHBondContact OG1-CG 3.28Å; T288-E293 WeakPolarHBondContact CA-OE1 3.36Å; T288-E293 PolarHBondContact N-OE1 2.98Å; T288-E293 PolarHBondContact N-OE2 2.78Å; T288-E293 PolarHBondContact OG1-OE1 3.47Å
289G93.8Very high94.6Very high57 Ų5775 Ų7559%0.58842%0.415SS*.  trans87.69.6-174.700000113.9E293G289-E293 WeakPolarHBondContact CA-OE2 3.46Å; G289-E293 PolarHBondContact N-OE1 2.91Å; G289-E293 PolarHBondContact N-OE2 2.69Å
290R94.8Very high94.5Very high102 Ų10276.3 Ų76.339%0.38543%0.431SS..  trans-57.8157.1180-87.9176.772.1-1757.1113.1T288 I292 E293 D371T288-R290 WeakPolarHBondContact OG1-CD 3.35Å; T288-R290 VanDerWaalsContact OG1-CG 3.31Å; T288-R290 WeakPolarHBondContact OG1-CG 3.28Å; R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 HydrophobicContact CB-CG1 4.01Å; R290-I292 PolarHBondContact O-N 3.34Å; R290-E293 HydrophobicContact CB-CG 4.08Å; R290-E293 PolarHBondContact N-OE1 3.42Å; R290-E293 WeakPolarHBondContact O-CB 3.38Å; R290-E293 PolarHBondContact O-N 2.83Å; R290-D371 WeakPolarHBondContact CB-OD1 3.47Å; R290-D371 IonicContact CZ-OD2 3.53Å; R290-D371 VanDerWaalsContact CZ-OD2 3.3Å; R290-D371 IonicContact NE-OD1 3.08Å; R290-D371 IonicContact NE-OD2 3.57Å; R290-D371 PolarHBondContact NE-OD2 2.7Å; R290-D371 IonicContact NH2-OD2 2.64Å; R290-D371 PolarHBondContact NH2-OD2 3.05Å
291V95.2Very high94.5Very high12 Ų1271 Ų717%0.07341%0.407CS..SBendtrans-70.2-32-178.2-168.90000110.9E293 Q294 R367 L370 D371 Y374V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.31Å; V291-Q294 VanDerWaalsContact O-CB 3.31Å; V291-Q294 WeakPolarHBondContact O-CB 3.44Å; V291-Q294 PolarHBondContact O-N 3.4Å; V291-Q294 VanDerWaalsContact O-N 3.1Å; V291-R367 HydrophobicContact CG1-CG 4.09Å; V291-R367 VanDerWaalsContact O-CD 3.23Å; V291-R367 WeakPolarHBondContact O-CD 3.48Å; V291-R367 WeakPolarHBondContact O-CG 3.44Å; V291-L370 HydrophobicContact CG1-CB 3.9Å; V291-D371 WeakPolarHBondContact CA-OD1 3.43Å; V291-D371 HydrophobicContact CB-CB 3.89Å; V291-D371 WeakPolarHBondContact CB-OD1 3.19Å; V291-D371 PolarHBondContact N-OD1 3.07Å; V291-Y374 HydrophobicContact CG2-CD2 3.5Å; V291-Y374 HydrophobicContact CG2-CE2 4.1Å; V291-Y374 HydrophobicContact CG2-CG 4.43Å
292I92.6Very high94.5Very high36 Ų3680.3 Ų80.319%0.18544%0.44CS..THydrogen-bonded Turntrans-60.2-32.917252.3164000113.8R290 Q294 R367 D371R290-I292 VanDerWaalsContact C-N 3.33Å; R290-I292 HydrophobicContact CB-CG1 4.01Å; R290-I292 PolarHBondContact O-N 3.34Å; I292-Q294 PolarHBondContact O-N 2.85Å; I292-R367 PolarHBondContact O-NE 3.31Å; I292-R367 PolarHBondContact O-NH1 3.1Å; I292-D371 HydrophobicContact CG2-CB 3.86Å; I292-D371 PolarHBondContact N-OD1 2.97Å
293E92.8Very high94.5Very high57 Ų5779.5 Ų79.527%0.26643%0.434SS..THydrogen-bonded Turntrans-67.3-20177.6-56.8171.9-166.300111.8L287 T288 G289 R290 V291 R295L287-E293 HydrophobicContact CD2-CB 4.36Å; L287-E293 HydrophobicContact CD2-CG 3.98Å; T288-E293 WeakPolarHBondContact CA-OE1 3.36Å; T288-E293 PolarHBondContact N-OE1 2.98Å; T288-E293 PolarHBondContact N-OE2 2.78Å; T288-E293 PolarHBondContact OG1-OE1 3.47Å; G289-E293 WeakPolarHBondContact CA-OE2 3.46Å; G289-E293 PolarHBondContact N-OE1 2.91Å; G289-E293 PolarHBondContact N-OE2 2.69Å; R290-E293 HydrophobicContact CB-CG 4.08Å; R290-E293 PolarHBondContact N-OE1 3.42Å; R290-E293 WeakPolarHBondContact O-CB 3.38Å; R290-E293 PolarHBondContact O-N 2.83Å; V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.31Å; E293-R295 PolarHBondContact O-N 2.78Å
294Q93.4Very high94.7Very high113 Ų11379 Ų7953%0.52842%0.418SS..SBendtrans-71.9125.7-176.5-58.1-175.120.100111.7V291 I292 I296 R367V291-Q294 VanDerWaalsContact O-CB 3.31Å; V291-Q294 WeakPolarHBondContact O-CB 3.44Å; V291-Q294 PolarHBondContact O-N 3.4Å; V291-Q294 VanDerWaalsContact O-N 3.1Å; I292-Q294 PolarHBondContact O-N 2.85Å; Q294-I296 PolarHBondContact O-N 2.75Å; Q294-R367 WeakPolarHBondContact O-CD 3.44Å; Q294-R367 PolarHBondContact O-NH1 2.88Å
295R94.9Very high94.8Very high133 Ų13378.1 Ų78.150%0.50241%0.406SS..  trans-71.8107.3-175.7-173.4-179.9-179.3-81-1.3112.1E293 R297 E311 N315E293-R295 PolarHBondContact O-N 2.78Å; R295-R297 PolarHBondContact O-N 3.03Å; R295-E311 VanDerWaalsContact CZ-CD 3.48Å; R295-E311 IonicContact CZ-OE1 3.56Å; R295-E311 IonicContact CZ-OE2 3.51Å; R295-E311 IonicContact NH1-OE1 2.76Å; R295-E311 PolarHBondContact NH1-OE1 2.76Å; R295-E311 IonicContact NH1-OE2 3.43Å; R295-E311 PolarHBondContact NH1-OE2 2.8Å; R295-E311 IonicContact NH2-OE1 3.57Å; R295-E311 IonicContact NH2-OE2 2.73Å; R295-E311 PolarHBondContact NH2-OE2 2.67Å; R295-N315 WeakPolarHBondContact CA-OD1 3.23Å; R295-N315 HydrophobicContact CG-CB 4.32Å
296I95.4Very high94.9Very high15 Ų1574.4 Ų74.48%0.07738%0.379CS..  trans-62.1116.3174.1-62.9171.1000109.2Q294 I314 N315 R363 V364 R367Q294-I296 PolarHBondContact O-N 2.75Å; I296-I314 HydrophobicContact CB-CD1 4.16Å; I296-I314 HydrophobicContact CG2-CD1 3.78Å; I296-N315 PolarHBondContact N-OD1 3.49Å; I296-N315 PolarHBondContact O-ND2 2.9Å; I296-R363 HydrophobicContact CD1-CB 4.34Å; I296-R363 HydrophobicContact CG2-CB 3.91Å; I296-V364 HydrophobicContact CD1-CB 4.41Å; I296-V364 HydrophobicContact CD1-CG2 3.67Å; I296-R367 HydrophobicContact CD1-CB 4.28Å
297R96.3Very high95.1Very high204 Ų20471.9 Ų71.977%0.7736%0.361SS*.  trans-82.6131.3172.2-67.2-170.6-67.5-164-2.4110.2R295 E311R295-R297 PolarHBondContact O-N 3.03Å; R297-E311 WeakPolarHBondContact CA-OE1 3.44Å
298Y96.6Very high95.2Very high8 Ų872.9 Ų72.93%0.03136%0.36CS..  trans-124.7127-179.6178.1-98.5000111.4T301 N307 I310 A356 E359 T360Y298-T301 HydrophobicContact CE1-CG2 4.12Å; Y298-T301 VanDerWaalsContact OH-CG2 3.27Å; Y298-T301 WeakPolarHBondContact OH-CG2 3.48Å; Y298-T301 PolarHBondContact OH-N 3.42Å; Y298-N307 HydrophobicContact CD1-CB 4.31Å; Y298-N307 HydrophobicContact CE1-CB 4.49Å; Y298-N307 WeakPolarHBondContact CE1-OD1 3.17Å; Y298-I310 HydrophobicContact CD1-CB 3.87Å; Y298-I310 HydrophobicContact CD1-CG2 3.79Å; Y298-I310 HydrophobicContact CE1-CB 4.11Å; Y298-I310 HydrophobicContact CE1-CD1 4.03Å; Y298-I310 HydrophobicContact CE1-CG2 4.07Å; Y298-I310 HydrophobicContact CG-CG2 4.13Å; Y298-A356 HydrophobicContact CE2-CB 4.44Å; Y298-A356 VanDerWaalsContact OH-CB 3.25Å; Y298-A356 WeakPolarHBondContact OH-CB 3.24Å; Y298-E359 HydrophobicContact CE2-CB 4.29Å; Y298-E359 HydrophobicContact CE2-CG 4.21Å; Y298-E359 WeakPolarHBondContact CE2-OE2 3.43Å; Y298-T360 HydrophobicContact CD2-CG2 3.42Å; Y298-T360 VanDerWaalsContact CD2-CG2 3.42Å; Y298-T360 HydrophobicContact CE2-CG2 3.81Å; Y298-T360 HydrophobicContact CG-CG2 3.96Å
299A96.1Very high95.3Very high79 Ų7971.1 Ų71.165%0.65335%0.345SS*.  trans-144.718.6-17600000113.7T301 N307A299-T301 PolarHBondContact O-N 2.93Å; A299-N307 PolarHBondContact O-ND2 2.87Å
300G93.6Very high95.5Very high41 Ų4168.4 Ų68.442%0.42332%0.317SS..  trans-65-35.9-170.800000115.2E359G300-E359 VanDerWaalsContact CA-OE2 3.23Å; G300-E359 WeakPolarHBondContact CA-OE2 3.45Å
301T95.2Very high95.6Very high13 Ų1365 Ų658%0.0831%0.306CS..SBendtrans-83.4158.3-17990.40000112.1Y298 A299 Y303 I306 N307 V352Y298-T301 HydrophobicContact CE1-CG2 4.12Å; Y298-T301 VanDerWaalsContact OH-CG2 3.27Å; Y298-T301 WeakPolarHBondContact OH-CG2 3.48Å; Y298-T301 PolarHBondContact OH-N 3.42Å; A299-T301 PolarHBondContact O-N 2.93Å; T301-Y303 PolarHBondContact O-N 3.17Å; T301-Y303 PolarHBondContact OG1-N 3.15Å; T301-Y303 VanDerWaalsContact OG1-N 3.09Å; T301-Y303 PolarHBondContact OG1-O 2.9Å; T301-I306 HydrophobicContact CG2-CG2 3.92Å; T301-N307 VanDerWaalsContact CB-OD1 3.3Å; T301-N307 WeakPolarHBondContact CB-OD1 3.5Å; T301-N307 WeakPolarHBondContact CG2-OD1 3.35Å; T301-N307 PolarHBondContact N-OD1 2.95Å; T301-N307 VanDerWaalsContact N-OD1 3.13Å; T301-N307 PolarHBondContact O-ND2 3.18Å; T301-N307 PolarHBondContact O-OD1 2.75Å; T301-N307 PolarHBondContact OG1-OD1 2.9Å; T301-V352 HydrophobicContact CG2-CG1 3.58Å
302R94.9Very high95.6Very high235 Ų23572.4 Ų72.489%0.88733%0.333SS*.SBendtrans-71.6-0.7172.4-56.6-175.5-171.2-171.13.3114.1
303Y96.3Very high95.7Very high78 Ų7872.8 Ų72.831%0.30633%0.333SS..  trans-115.9102.4-171.6-56.3-74.2000110.9T301 E305 I306 N307 L342 L344T301-Y303 PolarHBondContact O-N 3.17Å; T301-Y303 PolarHBondContact OG1-N 3.15Å; T301-Y303 VanDerWaalsContact OG1-N 3.09Å; T301-Y303 PolarHBondContact OG1-O 2.9Å; Y303-E305 PolarHBondContact O-N 2.91Å; Y303-I306 HydrophobicContact CD2-CD1 3.89Å; Y303-I306 HydrophobicContact CG-CD1 4.06Å; Y303-I306 PolarHBondContact O-N 3.19Å; Y303-N307 PolarHBondContact O-N 3.37Å; Y303-L342 HydrophobicContact CD1-CD1 4.13Å; Y303-L342 HydrophobicContact CD1-CD2 4.45Å; Y303-L342 HydrophobicContact CG-CD1 4.16Å; Y303-L344 HydrophobicContact CD2-CD1 4.48Å; Y303-L344 HydrophobicContact CE1-CD2 4.44Å; Y303-L344 HydrophobicContact CE2-CD1 4.25Å; Y303-L344 HydrophobicContact CE2-CD2 3.93Å; Y303-L344 WeakPolarHBondContact OH-CD2 3.21Å
304P96.6Very high95.9Very high64 Ų6470.1 Ų70.142%0.41632%0.32SS..Hα-helixtrans-55.8-26.8-178.5-27.236.1000114.4K308P304-K308 VanDerWaalsContact O-CB 3.25Å; P304-K308 WeakPolarHBondContact O-CB 3.47Å; P304-K308 WeakPolarHBondContact O-CD 3.46Å; P304-K308 WeakPolarHBondContact O-CG 3.41Å; P304-K308 PolarHBondContact O-N 2.91Å
305E96.3Very high95.9Very high62 Ų6266.2 Ų66.229%0.2930%0.303SS..Hα-helixtrans-72.1-36.1179.3-59.763.1-135.200111.7Y303 R309 H340Y303-E305 PolarHBondContact O-N 2.91Å; E305-R309 WeakPolarHBondContact O-CB 3.49Å; E305-R309 PolarHBondContact O-N 2.7Å; E305-H340 HydrophobicContact CB-CB 4.26Å; E305-H340 HydrophobicContact CG-CB 3.98Å; E305-H340 WeakPolarHBondContact CG-ND1 3.49Å
306I97.1Very high95.8Very high0 Ų061.6 Ų61.60%029%0.292CS..Hα-helixtrans-73.5-48.2173-62.1178.4000108.6T301 Y303 K308 R309 I310 V333 A336 L342 L344 V352T301-I306 HydrophobicContact CG2-CG2 3.92Å; Y303-I306 HydrophobicContact CD2-CD1 3.89Å; Y303-I306 HydrophobicContact CG-CD1 4.06Å; Y303-I306 PolarHBondContact O-N 3.19Å; I306-K308 PolarHBondContact O-N 3.39Å; I306-R309 WeakPolarHBondContact O-CA 3.36Å; I306-R309 WeakPolarHBondContact O-CB 3.47Å; I306-R309 PolarHBondContact O-N 2.85Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.24Å; I306-I310 PolarHBondContact O-N 2.96Å; I306-V333 HydrophobicContact CD1-CG1 4.32Å; I306-V333 HydrophobicContact CG2-CG2 3.94Å; I306-A336 HydrophobicContact CB-CB 4.46Å; I306-A336 HydrophobicContact CG1-CB 3.76Å; I306-L342 HydrophobicContact CD1-CD1 3.96Å; I306-L342 HydrophobicContact CG1-CD1 3.92Å; I306-L344 HydrophobicContact CD1-CD1 3.92Å; I306-V352 HydrophobicContact CD1-CG1 4.37Å
307N97.4Very high95.4Very high17 Ų1765.9 Ų65.99%0.09132%0.32CS..Hα-helixtrans-55.3-55.4-179.9-66.9-9.4000111.5Y298 A299 T301 Y303 R309 I310 E311Y298-N307 HydrophobicContact CD1-CB 4.31Å; Y298-N307 HydrophobicContact CE1-CB 4.49Å; Y298-N307 WeakPolarHBondContact CE1-OD1 3.17Å; A299-N307 PolarHBondContact O-ND2 2.87Å; T301-N307 VanDerWaalsContact CB-OD1 3.3Å; T301-N307 WeakPolarHBondContact CB-OD1 3.5Å; T301-N307 WeakPolarHBondContact CG2-OD1 3.35Å; T301-N307 PolarHBondContact N-OD1 2.95Å; T301-N307 VanDerWaalsContact N-OD1 3.13Å; T301-N307 PolarHBondContact O-ND2 3.18Å; T301-N307 PolarHBondContact O-OD1 2.75Å; T301-N307 PolarHBondContact OG1-OD1 2.9Å; Y303-N307 PolarHBondContact O-N 3.37Å; N307-R309 PolarHBondContact O-N 3.29Å; N307-I310 PolarHBondContact O-N 3.41Å; N307-E311 WeakPolarHBondContact O-CB 3.17Å; N307-E311 PolarHBondContact O-N 3.33Å
308K96.8Very high94.8Very high131 Ų13158.6 Ų58.657%0.5731%0.309SS*.Hα-helixtrans-62.9-10.4176.7-70.7170.5-178.4173.90114.3P304 I306 R312P304-K308 VanDerWaalsContact O-CB 3.25Å; P304-K308 WeakPolarHBondContact O-CB 3.47Å; P304-K308 WeakPolarHBondContact O-CD 3.46Å; P304-K308 WeakPolarHBondContact O-CG 3.41Å; P304-K308 PolarHBondContact O-N 2.91Å; I306-K308 PolarHBondContact O-N 3.39Å; K308-R312 PolarHBondContact O-NE 3.38Å; K308-R312 PolarHBondContact O-NH2 2.94Å
309R96.1Very high94.2Very high36 Ų3658.6 Ų58.614%0.13631%0.31CS..Hα-helixtrans-94.4-48.8176.3-170.6179.8178.6102.627.2111E305 I306 N307 R312 F313 Q332 R335E305-R309 WeakPolarHBondContact O-CB 3.49Å; E305-R309 PolarHBondContact O-N 2.7Å; I306-R309 WeakPolarHBondContact O-CA 3.36Å; I306-R309 WeakPolarHBondContact O-CB 3.47Å; I306-R309 PolarHBondContact O-N 2.85Å; N307-R309 PolarHBondContact O-N 3.29Å; R309-R312 PolarHBondContact O-N 2.81Å; R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.39Å; R309-Q332 VanDerWaalsContact CD-O 3.25Å; R309-Q332 WeakPolarHBondContact CD-O 3.21Å; R309-Q332 HydrophobicContact CG-CB 4.23Å; R309-Q332 VanDerWaalsContact CZ-OE1 3.29Å; R309-Q332 PolarHBondContact NE-O 2.92Å; R309-R335 PolarHBondContact NH1-O 3.15Å
310I96.7Very high93.4Very high0 Ų057.8 Ų57.80%029%0.292CS..Hα-helixtrans-61.8-45.8174.3-64.6178000109.8Y298 I306 N307 R312 F313 I314 I329 Q332 V333 A356 T360Y298-I310 HydrophobicContact CD1-CB 3.87Å; Y298-I310 HydrophobicContact CD1-CG2 3.79Å; Y298-I310 HydrophobicContact CE1-CB 4.11Å; Y298-I310 HydrophobicContact CE1-CD1 4.03Å; Y298-I310 HydrophobicContact CE1-CG2 4.07Å; Y298-I310 HydrophobicContact CG-CG2 4.13Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.24Å; I306-I310 PolarHBondContact O-N 2.96Å; N307-I310 PolarHBondContact O-N 3.41Å; I310-R312 VanDerWaalsContact C-N 3.26Å; I310-R312 PolarHBondContact O-N 3.35Å; I310-F313 PolarHBondContact O-N 2.91Å; I310-I314 HydrophobicContact CG2-CG2 4.12Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.47Å; I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG2-CD1 4.3Å; I310-Q332 HydrophobicContact CG1-CB 4.3Å; I310-V333 HydrophobicContact CD1-CG2 3.99Å; I310-A356 HydrophobicContact CD1-CB 3.67Å; I310-T360 HydrophobicContact CG2-CG2 3.76Å
311E96.8Very high92.9Very high30 Ų3060.4 Ų60.414%0.1430%0.297CS..Hα-helixtrans-59.4-30.6177-165.8-165.4-148.100113.7R295 R297 N307 N315R295-E311 VanDerWaalsContact CZ-CD 3.48Å; R295-E311 IonicContact CZ-OE1 3.56Å; R295-E311 IonicContact CZ-OE2 3.51Å; R295-E311 IonicContact NH1-OE1 2.76Å; R295-E311 PolarHBondContact NH1-OE1 2.76Å; R295-E311 IonicContact NH1-OE2 3.43Å; R295-E311 PolarHBondContact NH1-OE2 2.8Å; R295-E311 IonicContact NH2-OE1 3.57Å; R295-E311 IonicContact NH2-OE2 2.73Å; R295-E311 PolarHBondContact NH2-OE2 2.67Å; R297-E311 WeakPolarHBondContact CA-OE1 3.44Å; N307-E311 WeakPolarHBondContact O-CB 3.17Å; N307-E311 PolarHBondContact O-N 3.33Å; E311-N315 PolarHBondContact O-ND2 3.45Å
312R95.8Very high92.6Very high168 Ų16863.9 Ų63.963%0.63432%0.321SS*.Hα-helixtrans-82.9-25.8173.2-79.9-176-64.8140.35.2113.1K308 R309 I310K308-R312 PolarHBondContact O-NE 3.38Å; K308-R312 PolarHBondContact O-NH2 2.94Å; R309-R312 PolarHBondContact O-N 2.81Å; I310-R312 VanDerWaalsContact C-N 3.26Å; I310-R312 PolarHBondContact O-N 3.35Å
313F95.6Very high92.4Very high45 Ų4556 Ų5620%0.19730%0.301CS..Hα-helixtrans-75.8-52.2179.5-178.8-123.6000110.8R309 I310 N315 S316 T319 P324 D328 I329 Q332R309-F313 WeakPolarHBondContact O-CB 3.42Å; R309-F313 PolarHBondContact O-N 3.39Å; I310-F313 PolarHBondContact O-N 2.91Å; F313-N315 PolarHBondContact O-N 3.46Å; F313-S316 WeakPolarHBondContact O-CB 3.25Å; F313-S316 PolarHBondContact O-N 3.26Å; F313-S316 PolarHBondContact O-OG 2.9Å; F313-T319 HydrophobicContact CD2-CG2 4.31Å; F313-T319 HydrophobicContact CE1-CG2 4.49Å; F313-T319 HydrophobicContact CE2-CG2 3.99Å; F313-T319 HydrophobicContact CZ-CG2 4.08Å; F313-T319 WeakPolarHBondContact O-CG2 3.47Å; F313-T319 PolarHBondContact O-OG1 3Å; F313-P324 HydrophobicContact CD1-CB 4.3Å; F313-P324 HydrophobicContact CE1-CB 3.48Å; F313-P324 VanDerWaalsContact CE1-CB 3.48Å; F313-P324 HydrophobicContact CE1-CG 4.33Å; F313-P324 HydrophobicContact CZ-CB 4.03Å; F313-D328 HydrophobicContact CE1-CB 3.49Å; F313-D328 VanDerWaalsContact CE1-CB 3.49Å; F313-D328 HydrophobicContact CZ-CB 3.64Å; F313-I329 HydrophobicContact CD1-CD1 4.06Å; F313-I329 HydrophobicContact CE1-CD1 4.27Å; F313-Q332 HydrophobicContact CB-CG 4.08Å; F313-Q332 HydrophobicContact CD1-CG 3.7Å; F313-Q332 HydrophobicContact CE1-CG 4.29Å; F313-Q332 HydrophobicContact CG-CG 3.86Å
314I95.6Very high92.3Very high0 Ų053 Ų530%029%0.291CS..THydrogen-bonded Turntrans-68.2-1.8-179.372.9-174.5000115.3I296 I310 P324 I329 T360I296-I314 HydrophobicContact CB-CD1 4.16Å; I296-I314 HydrophobicContact CG2-CD1 3.78Å; I310-I314 HydrophobicContact CG2-CG2 4.12Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.47Å; I314-P324 HydrophobicContact CG2-CG 4.23Å; I314-I329 HydrophobicContact CG2-CD1 4.25Å; I314-T360 HydrophobicContact CD1-CG2 3.67Å; I314-T360 HydrophobicContact CG2-CG2 4.23Å
315N94.7Very high92.2Very high32 Ų3253.8 Ų53.817%0.17129%0.291CS..THydrogen-bonded Turntrans-124.319.5176-64.7-69.6000111.4R295 I296 E311 F313 R367R295-N315 WeakPolarHBondContact CA-OD1 3.23Å; R295-N315 HydrophobicContact CG-CB 4.32Å; I296-N315 PolarHBondContact N-OD1 3.49Å; I296-N315 PolarHBondContact O-ND2 2.9Å; E311-N315 PolarHBondContact O-ND2 3.45Å; F313-N315 PolarHBondContact O-N 3.46Å; N315-R367 PolarHBondContact OD1-NH1 3.49Å; N315-R367 VanDerWaalsContact OD1-NH1 3.11Å
316S92.6Very high92.2Very high36 Ų3654.4 Ų54.425%0.25229%0.291SS..SBendtrans-79.1152168.3690000110.1F313 G318 T319 Q320F313-S316 WeakPolarHBondContact O-CB 3.25Å; F313-S316 PolarHBondContact O-N 3.26Å; F313-S316 PolarHBondContact O-OG 2.9Å; S316-G318 PolarHBondContact O-N 3.29Å; S316-T319 PolarHBondContact N-OG1 2.9Å; S316-T319 VanDerWaalsContact N-OG1 3.14Å; S316-T319 PolarHBondContact O-N 2.82Å; S316-T319 VanDerWaalsContact O-N 3.11Å; S316-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 WeakPolarHBondContact OG-CG2 3.3Å; S316-T319 PolarHBondContact OG-OG1 2.94Å; S316-Q320 PolarHBondContact O-N 2.9Å
317P86.1Confident92.2Very high105 Ų10557.9 Ų57.968%0.68232%0.316SS*.SBendtrans-53.9-50.1179.7-28.636.5000113.3T319 Q320P317-T319 PolarHBondContact O-N 3.28Å; P317-T319 VanDerWaalsContact O-N 3.16Å; P317-Q320 WeakPolarHBondContact O-CA 3.48Å; P317-Q320 VanDerWaalsContact O-CB 3.25Å; P317-Q320 WeakPolarHBondContact O-CB 3.44Å; P317-Q320 PolarHBondContact O-N 3.44Å
318G83.4Confident92.2Very high51 Ų5159.4 Ų59.453%0.52632%0.324SS..Hα-helixtrans-57.7-32.4177.500000114.1S316 Q320 N321 S322S316-G318 PolarHBondContact O-N 3.29Å; G318-Q320 PolarHBondContact O-N 3.43Å; G318-N321 PolarHBondContact O-N 3.23Å; G318-S322 PolarHBondContact O-N 3.06Å
319T84.1Confident92.2Very high8 Ų853.1 Ų53.15%0.04930%0.297CS..Hα-helixtrans-77-0.7173.456.70000115.2F313 S316 P317 S322 P324F313-T319 HydrophobicContact CD2-CG2 4.31Å; F313-T319 HydrophobicContact CE1-CG2 4.49Å; F313-T319 HydrophobicContact CE2-CG2 3.99Å; F313-T319 HydrophobicContact CZ-CG2 4.08Å; F313-T319 WeakPolarHBondContact O-CG2 3.47Å; F313-T319 PolarHBondContact O-OG1 3Å; S316-T319 PolarHBondContact N-OG1 2.9Å; S316-T319 VanDerWaalsContact N-OG1 3.14Å; S316-T319 PolarHBondContact O-N 2.82Å; S316-T319 VanDerWaalsContact O-N 3.11Å; S316-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 WeakPolarHBondContact OG-CG2 3.3Å; S316-T319 PolarHBondContact OG-OG1 2.94Å; P317-T319 PolarHBondContact O-N 3.28Å; P317-T319 VanDerWaalsContact O-N 3.16Å; T319-S322 VanDerWaalsContact CA-O 3.31Å; T319-S322 WeakPolarHBondContact CA-O 3.47Å; T319-P324 HydrophobicContact CG2-CB 4.43Å; T319-P324 HydrophobicContact CG2-CG 4.44Å
320Q80.3Confident92.3Very high62 Ų6253.2 Ų53.229%0.2930%0.3SS..Hα-helixtrans-81.9-38.1168-57-164.533.700111.1S316 P317 G318 R368S316-Q320 PolarHBondContact O-N 2.9Å; P317-Q320 WeakPolarHBondContact O-CA 3.48Å; P317-Q320 VanDerWaalsContact O-CB 3.25Å; P317-Q320 WeakPolarHBondContact O-CB 3.44Å; P317-Q320 PolarHBondContact O-N 3.44Å; G318-Q320 PolarHBondContact O-N 3.43Å; Q320-R368 PolarHBondContact O-NH2 2.86Å
321N82.4Confident92.3Very high96 Ų9658 Ų5851%0.51332%0.322SS..Hα-helixtrans-80.9-59.7174.3-65.815.9000110.9G318 P323 R368 E461G318-N321 PolarHBondContact O-N 3.23Å; N321-P323 WeakPolarHBondContact O-CD 3.46Å; N321-R368 PolarHBondContact O-NH2 3.28Å; N321-E461 PolarHBondContact ND2-OE1 3.23Å; N321-E461 PolarHBondContact ND2-OE2 3.13Å
322S88.8Confident92.3Very high86 Ų8657.5 Ų57.560%0.60132%0.32SS*.SBendtrans-98.3108.2-178.8-172.60000111.7G318 T319G318-S322 PolarHBondContact O-N 3.06Å; T319-S322 VanDerWaalsContact CA-O 3.31Å; T319-S322 WeakPolarHBondContact CA-O 3.47Å
323P90.6Very high92.4Very high69 Ų6949.5 Ų49.545%0.44829%0.289SS..  trans-71.4133.2-17730.1-33.3000110.8N321 V364N321-P323 WeakPolarHBondContact O-CD 3.46Å; P323-V364 HydrophobicContact CB-CG1 4.42Å
324P93.7Very high92.5Very high16 Ų1650 Ų5010%0.10430%0.296CS..  trans-66.8138.1-169.326.2-35000113F313 I314 T319 D328 I329 F357F313-P324 HydrophobicContact CD1-CB 4.3Å; F313-P324 HydrophobicContact CE1-CB 3.48Å; F313-P324 VanDerWaalsContact CE1-CB 3.48Å; F313-P324 HydrophobicContact CE1-CG 4.33Å; F313-P324 HydrophobicContact CZ-CB 4.03Å; I314-P324 HydrophobicContact CG2-CG 4.23Å; T319-P324 HydrophobicContact CG2-CB 4.43Å; T319-P324 HydrophobicContact CG2-CG 4.44Å; P324-D328 WeakPolarHBondContact CA-OD2 3.32Å; P324-D328 HydrophobicContact CB-CB 4.33Å; P324-I329 HydrophobicContact CB-CD1 4.36Å; P324-I329 HydrophobicContact CG-CD1 4.41Å; P324-F357 WeakPolarHBondContact O-CE2 3.28Å
325N95.4Very high92.5Very high79 Ų7956.5 Ų56.542%0.42232%0.32SS..  trans-84.6175.1178.773.961.4000112S327 D328 I329N325-S327 PolarHBondContact O-N 3.34Å; N325-S327 VanDerWaalsContact OD1-CA 3.27Å; N325-S327 WeakPolarHBondContact OD1-CA 3.08Å; N325-S327 WeakPolarHBondContact OD1-CB 3.41Å; N325-S327 PolarHBondContact OD1-N 3.46Å; N325-D328 VanDerWaalsContact CG-CG 3.43Å; N325-D328 VanDerWaalsContact CG-OD2 3.22Å; N325-D328 PolarHBondContact N-OD2 2.97Å; N325-D328 PolarHBondContact ND2-OD1 3.49Å; N325-D328 PolarHBondContact ND2-OD2 2.84Å; N325-D328 PolarHBondContact O-N 3.06Å; N325-D328 PolarHBondContact OD1-N 2.95Å; N325-D328 PolarHBondContact OD1-OD1 2.88Å; N325-I329 PolarHBondContact O-N 3.31Å
326Y97.4Very high92.6Very high75 Ų7555 Ų5529%0.29431%0.313SS..Hα-helixtrans-62.7-38.4180168.5-104.7000113.6D328 I329 L330 A353 R354 F357Y326-D328 VanDerWaalsContact C-N 3.32Å; Y326-D328 PolarHBondContact O-N 3.24Å; Y326-I329 PolarHBondContact O-N 2.97Å; Y326-L330 HydrophobicContact CE1-CD2 4.06Å; Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.37Å; Y326-A353 HydrophobicContact CE2-CB 3.99Å; Y326-R354 HydrophobicContact CE2-CB 4.11Å; Y326-F357 HydrophobicContact CD2-CB 4.23Å; Y326-F357 HydrophobicContact CD2-CD1 4.27Å; Y326-F357 HydrophobicContact CD2-CG 4.32Å
327S97.1Very high92.8Very high74 Ų7454.3 Ų54.352%0.51731%0.306SS..Hα-helixtrans-62.2-40.3177.9-162.60000111.2N325 L330 H331N325-S327 PolarHBondContact O-N 3.34Å; N325-S327 VanDerWaalsContact OD1-CA 3.27Å; N325-S327 WeakPolarHBondContact OD1-CA 3.08Å; N325-S327 WeakPolarHBondContact OD1-CB 3.41Å; N325-S327 PolarHBondContact OD1-N 3.46Å; S327-L330 PolarHBondContact O-N 3.01Å; S327-H331 WeakPolarHBondContact O-CB 3.14Å; S327-H331 PolarHBondContact O-N 2.96Å
328D96.5Very high93.2Very high48 Ų4858 Ų5826%0.25731%0.311SS..Hα-helixtrans-63.4-47.8179.1-49-29.6000111.4F313 P324 N325 Y326 H331 Q332F313-D328 HydrophobicContact CE1-CB 3.49Å; F313-D328 VanDerWaalsContact CE1-CB 3.49Å; F313-D328 HydrophobicContact CZ-CB 3.64Å; P324-D328 WeakPolarHBondContact CA-OD2 3.32Å; P324-D328 HydrophobicContact CB-CB 4.33Å; N325-D328 VanDerWaalsContact CG-CG 3.43Å; N325-D328 VanDerWaalsContact CG-OD2 3.22Å; N325-D328 PolarHBondContact N-OD2 2.97Å; N325-D328 PolarHBondContact ND2-OD1 3.49Å; N325-D328 PolarHBondContact ND2-OD2 2.84Å; N325-D328 PolarHBondContact O-N 3.06Å; N325-D328 PolarHBondContact OD1-N 2.95Å; N325-D328 PolarHBondContact OD1-OD1 2.88Å; Y326-D328 VanDerWaalsContact C-N 3.32Å; Y326-D328 PolarHBondContact O-N 3.24Å; D328-H331 PolarHBondContact O-N 3.49Å; D328-Q332 WeakPolarHBondContact O-CG 3.23Å; D328-Q332 PolarHBondContact O-N 3.32Å
329I97.2Very high93.8Very high0 Ų064.8 Ų64.80%032%0.321CS..Hα-helixtrans-62.7-44177.7-60.4-61.1000110.1I310 F313 I314 P324 N325 Y326 H331 Q332 V333 A356 F357I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG2-CD1 4.3Å; F313-I329 HydrophobicContact CD1-CD1 4.06Å; F313-I329 HydrophobicContact CE1-CD1 4.27Å; I314-I329 HydrophobicContact CG2-CD1 4.25Å; P324-I329 HydrophobicContact CB-CD1 4.36Å; P324-I329 HydrophobicContact CG-CD1 4.41Å; N325-I329 PolarHBondContact O-N 3.31Å; Y326-I329 PolarHBondContact O-N 2.97Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-H331 PolarHBondContact O-N 3.28Å; I329-Q332 PolarHBondContact O-N 2.62Å; I329-V333 WeakPolarHBondContact O-CG2 3.3Å; I329-V333 PolarHBondContact O-N 3.33Å; I329-A356 HydrophobicContact CG2-CB 3.96Å; I329-F357 HydrophobicContact CB-CB 4.23Å; I329-F357 HydrophobicContact CG1-CB 4.18Å; I329-F357 HydrophobicContact CG1-CD2 4.09Å; I329-F357 HydrophobicContact CG2-CB 4.19Å
330L97.8Very high94.4Very high37 Ų3769 Ų6919%0.19434%0.34CS..Hα-helixtrans-59.5-42.1173.7179.461.1000111.9Y326 S327 V333 V334 E350 A353Y326-L330 HydrophobicContact CE1-CD2 4.06Å; Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.37Å; S327-L330 PolarHBondContact O-N 3.01Å; L330-V333 PolarHBondContact O-N 2.88Å; L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 HydrophobicContact CG-CG2 4.47Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.29Å; L330-E350 HydrophobicContact CD1-CG 4.05Å; L330-E350 HydrophobicContact CD2-CG 4.49Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 3.68Å; L330-A353 HydrophobicContact CG-CB 4.39Å
331H97.3Very high95Very high100 Ų10068.6 Ų68.646%0.46335%0.352SS..Hα-helixtrans-64.5-40.1175.5180-159.9000111.4S327 D328 I329 V334 R335S327-H331 WeakPolarHBondContact O-CB 3.14Å; S327-H331 PolarHBondContact O-N 2.96Å; D328-H331 PolarHBondContact O-N 3.49Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-H331 PolarHBondContact O-N 3.28Å; H331-V334 PolarHBondContact O-N 2.98Å; H331-R335 WeakPolarHBondContact O-CB 3.26Å; H331-R335 PolarHBondContact O-N 2.91Å
332Q96.9Very high95.5Very high21 Ų2166 Ų6610%0.09834%0.338CS..Hα-helixtrans-62.2-45.3172.1-57.2-48.1-2300111.5R309 I310 F313 D328 I329 R335 A336R309-Q332 VanDerWaalsContact CD-O 3.25Å; R309-Q332 WeakPolarHBondContact CD-O 3.21Å; R309-Q332 HydrophobicContact CG-CB 4.23Å; R309-Q332 VanDerWaalsContact CZ-OE1 3.29Å; R309-Q332 PolarHBondContact NE-O 2.92Å; I310-Q332 HydrophobicContact CG1-CB 4.3Å; F313-Q332 HydrophobicContact CB-CG 4.08Å; F313-Q332 HydrophobicContact CD1-CG 3.7Å; F313-Q332 HydrophobicContact CE1-CG 4.29Å; F313-Q332 HydrophobicContact CG-CG 3.86Å; D328-Q332 WeakPolarHBondContact O-CG 3.23Å; D328-Q332 PolarHBondContact O-N 3.32Å; I329-Q332 PolarHBondContact O-N 2.62Å; Q332-R335 PolarHBondContact O-N 3.43Å; Q332-A336 WeakPolarHBondContact O-CB 3.39Å; Q332-A336 PolarHBondContact O-N 3.44Å
333V97.1Very high95.7Very high0 Ų067.5 Ų67.50%035%0.347CS..Hα-helixtrans-58.4-49.3176.3171.20000111.3I306 I310 I329 L330 R335 A336 N337 R349 V352 A353I306-V333 HydrophobicContact CD1-CG1 4.32Å; I306-V333 HydrophobicContact CG2-CG2 3.94Å; I310-V333 HydrophobicContact CD1-CG2 3.99Å; I329-V333 WeakPolarHBondContact O-CG2 3.3Å; I329-V333 PolarHBondContact O-N 3.33Å; L330-V333 PolarHBondContact O-N 2.88Å; V333-R335 PolarHBondContact O-N 3.36Å; V333-A336 PolarHBondContact O-N 3.28Å; V333-N337 WeakPolarHBondContact O-CB 3.26Å; V333-N337 PolarHBondContact O-N 2.9Å; V333-R349 HydrophobicContact CG1-CB 3.89Å; V333-R349 HydrophobicContact CG1-CG 4.11Å; V333-V352 HydrophobicContact CG1-CG1 4.22Å; V333-V352 HydrophobicContact CG2-CG1 4.18Å; V333-A353 HydrophobicContact CB-CB 4.48Å; V333-A353 HydrophobicContact CG2-CB 4.1Å
334V97Very high95.9Very high54 Ų5464.8 Ų64.833%0.32733%0.329SS..Hα-helixtrans-61.2-44.8178169.70000111.4L330 H331 A336 N337 K338L330-V334 HydrophobicContact CD1-CG2 4.22Å; L330-V334 HydrophobicContact CG-CG2 4.47Å; L330-V334 WeakPolarHBondContact O-CB 3.41Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.29Å; H331-V334 PolarHBondContact O-N 2.98Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.47Å; V334-N337 PolarHBondContact O-N 2.76Å; V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.12Å
335R96.6Very high96Very high138 Ų13867 Ų6752%0.52134%0.342SS..Hα-helixtrans-77-17.3-177.9-162.3171.4166.3-158.23.6112.9R309 H331 Q332 V333 R339R309-R335 PolarHBondContact NH1-O 3.15Å; H331-R335 WeakPolarHBondContact O-CB 3.26Å; H331-R335 PolarHBondContact O-N 2.91Å; Q332-R335 PolarHBondContact O-N 3.43Å; V333-R335 PolarHBondContact O-N 3.36Å; R335-R339 VanDerWaalsContact O-CB 3.32Å; R335-R339 WeakPolarHBondContact O-CB 3.32Å
336A96.7Very high95.9Very high1 Ų165.4 Ų65.41%0.00834%0.34CS..Hα-helixtrans-76.5-54.6163.700000111.4I306 Q332 V333 V334 K338 R339 H340I306-A336 HydrophobicContact CB-CB 4.46Å; I306-A336 HydrophobicContact CG1-CB 3.76Å; Q332-A336 WeakPolarHBondContact O-CB 3.39Å; Q332-A336 PolarHBondContact O-N 3.44Å; V333-A336 PolarHBondContact O-N 3.28Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.47Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.42Å; A336-R339 PolarHBondContact O-N 2.93Å; A336-H340 PolarHBondContact O-CD2 2.87Å; A336-H340 PolarHBondContact O-N 3.09Å
337N95.9Very high95.9Very high20 Ų2069.1 Ų69.111%0.10736%0.36CS..Hα-helixtrans-52.4-47178.8177.358000112V333 V334 R339 G341 L342 C343 L344V333-N337 WeakPolarHBondContact O-CB 3.26Å; V333-N337 PolarHBondContact O-N 2.9Å; V334-N337 PolarHBondContact O-N 2.76Å; N337-R339 PolarHBondContact O-N 3.46Å; N337-G341 PolarHBondContact O-N 2.89Å; N337-L342 PolarHBondContact O-N 3.34Å; N337-L342 WeakPolarHBondContact OD1-CB 3.24Å; N337-C343 PolarHBondContact OD1-N 3.14Å; N337-L344 PolarHBondContact OD1-N 2.9Å; N337-L344 VanDerWaalsContact OD1-N 3.1Å
338K96Very high95.8Very high184 Ų18469.6 Ų69.680%0.835%0.354SS*.Hα-helixtrans-65.8-32.7177.6-175.1177.1178.4-178.70113.5V334 A336V334-K338 WeakPolarHBondContact O-CB 3.48Å; V334-K338 PolarHBondContact O-N 3.12Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.42Å
339R96.2Very high95.8Very high193 Ų19370 Ų7073%0.72835%0.352SS*.Hα-helixtrans-79.1-33.9-178.9-179.9175.1-179.5147.42.2112.6R335 A336 N337R335-R339 VanDerWaalsContact O-CB 3.32Å; R335-R339 WeakPolarHBondContact O-CB 3.32Å; A336-R339 PolarHBondContact O-N 2.93Å; N337-R339 PolarHBondContact O-N 3.46Å
340H94.9Very high95.8Very high97 Ų9773.7 Ų73.745%0.44937%0.37SS..Hα-helixtrans-107.8-3.3-172.8-67.1-87.8000114.1E305 A336 L342E305-H340 HydrophobicContact CB-CB 4.26Å; E305-H340 HydrophobicContact CG-CB 3.98Å; E305-H340 WeakPolarHBondContact CG-ND1 3.49Å; A336-H340 PolarHBondContact O-CD2 2.87Å; A336-H340 PolarHBondContact O-N 3.09Å; H340-L342 HydrophobicContact CB-CD2 3.97Å; H340-L342 HydrophobicContact CB-CG 4.03Å
341G93.5Very high95.8Very high53 Ų5376.9 Ų76.955%0.54638%0.383SS..THydrogen-bonded Turntrans70.232.3174.900000113.6N337 C343N337-G341 PolarHBondContact O-N 2.89Å; G341-C343 PolarHBondContact O-N 3.46Å; G341-C343 VanDerWaalsContact O-N 3.08Å; G341-C343 PolarHBondContact O-SG 2.78Å
342L92.6Very high95.7Very high41 Ų4172.9 Ų72.922%0.21537%0.366CS..  trans-71.7-0.3-173.8-50.2176.6000114Y303 I306 N337 H340 L344Y303-L342 HydrophobicContact CD1-CD1 4.13Å; Y303-L342 HydrophobicContact CD1-CD2 4.45Å; Y303-L342 HydrophobicContact CG-CD1 4.16Å; I306-L342 HydrophobicContact CD1-CD1 3.96Å; I306-L342 HydrophobicContact CG1-CD1 3.92Å; N337-L342 PolarHBondContact O-N 3.34Å; N337-L342 WeakPolarHBondContact OD1-CB 3.24Å; H340-L342 HydrophobicContact CB-CD2 3.97Å; H340-L342 HydrophobicContact CB-CG 4.03Å; L342-L344 HydrophobicContact CB-CG 4.24Å; L342-L344 PolarHBondContact O-N 3.13Å
343C93.3Very high95.8Very high118 Ų11871.9 Ų71.980%0.79736%0.361SS*.  trans55.219.3173.9-71.40000117N337 G341N337-C343 PolarHBondContact OD1-N 3.14Å; G341-C343 PolarHBondContact O-N 3.46Å; G341-C343 VanDerWaalsContact O-N 3.08Å; G341-C343 PolarHBondContact O-SG 2.78Å
344L93.8Very high95.8Very high11 Ų1178.4 Ų78.46%0.05839%0.386CS..  trans-65.3137.3-179.8-57.5178.4000112.4Y303 I306 N337 L342 Q348 R349Y303-L344 HydrophobicContact CD2-CD1 4.48Å; Y303-L344 HydrophobicContact CE1-CD2 4.44Å; Y303-L344 HydrophobicContact CE2-CD1 4.25Å; Y303-L344 HydrophobicContact CE2-CD2 3.93Å; Y303-L344 WeakPolarHBondContact OH-CD2 3.21Å; I306-L344 HydrophobicContact CD1-CD1 3.92Å; N337-L344 PolarHBondContact OD1-N 2.9Å; N337-L344 VanDerWaalsContact OD1-N 3.1Å; L342-L344 HydrophobicContact CB-CG 4.24Å; L342-L344 PolarHBondContact O-N 3.13Å; L344-Q348 HydrophobicContact CB-CB 4.34Å; L344-R349 HydrophobicContact CB-CG 3.66Å; L344-R349 HydrophobicContact CD1-CG 4.17Å; L344-R349 PolarHBondContact O-NH1 3.36Å
345T95.8Very high95.8Very high63 Ų6381.7 Ų81.739%0.38740%0.398SS..  trans-65.5178.3173.672.10000111.8Q348 R349T345-Q348 WeakPolarHBondContact OG1-CB 3.22Å; T345-Q348 VanDerWaalsContact OG1-CG 3.28Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.4Å; T345-Q348 PolarHBondContact OG1-N 2.96Å; T345-R349 VanDerWaalsContact C-NH1 3.32Å; T345-R349 VanDerWaalsContact O-CG 3.28Å; T345-R349 WeakPolarHBondContact O-CG 3.45Å; T345-R349 VanDerWaalsContact O-CZ 3.28Å; T345-R349 PolarHBondContact O-N 3.34Å; T345-R349 PolarHBondContact O-NH1 3.24Å
346A95.3Very high95.9Very high46 Ų4675.1 Ų75.138%0.3837%0.373SS..Hα-helixtrans-64.9-57.717400000111.1Q348 R349 E350A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 3.22Å; A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 2.92Å; A346-E350 PolarHBondContact O-N 3.24Å; A346-E350 VanDerWaalsContact O-N 3.08Å
347E96.1Very high95.9Very high152 Ų15278.4 Ų78.471%0.7139%0.387SS*.Hα-helixtrans-48.2-48.8176.5-62.6149.3-174.800112.3R349 E350 E351E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 3.46Å; E347-E350 PolarHBondContact O-N 3.27Å; E347-E351 WeakPolarHBondContact O-CB 3.18Å; E347-E351 PolarHBondContact O-N 3.42Å
348Q95.6Very high96Very high84 Ų8480.8 Ų80.839%0.39340%0.403SS..Hα-helixtrans-63.4-30179.2-74.4172.6-18.100113.7L344 T345 A346 V352L344-Q348 HydrophobicContact CB-CB 4.34Å; T345-Q348 WeakPolarHBondContact OG1-CB 3.22Å; T345-Q348 VanDerWaalsContact OG1-CG 3.28Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.4Å; T345-Q348 PolarHBondContact OG1-N 2.96Å; A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 3.22Å; Q348-V352 VanDerWaalsContact O-CB 3.3Å; Q348-V352 WeakPolarHBondContact O-CB 3.5Å; Q348-V352 WeakPolarHBondContact O-CG2 3.21Å; Q348-V352 PolarHBondContact O-N 3.26Å; Q348-V352 VanDerWaalsContact O-N 3.15Å
349R96.3Very high96Very high57 Ų5774.8 Ų74.822%0.21538%0.377CS..Hα-helixtrans-78.6-35.2176.3-67.9179.7-41.8-106.43.3111.5V333 L344 T345 A346 E347 A353V333-R349 HydrophobicContact CG1-CB 3.89Å; V333-R349 HydrophobicContact CG1-CG 4.11Å; L344-R349 HydrophobicContact CB-CG 3.66Å; L344-R349 HydrophobicContact CD1-CG 4.17Å; L344-R349 PolarHBondContact O-NH1 3.36Å; T345-R349 VanDerWaalsContact C-NH1 3.32Å; T345-R349 VanDerWaalsContact O-CG 3.28Å; T345-R349 WeakPolarHBondContact O-CG 3.45Å; T345-R349 VanDerWaalsContact O-CZ 3.28Å; T345-R349 PolarHBondContact O-N 3.34Å; T345-R349 PolarHBondContact O-NH1 3.24Å; A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 2.92Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 3.46Å; R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 2.97Å
350E97Very high96Very high78 Ų7865.6 Ų65.636%0.36434%0.343SS..Hα-helixtrans-71.5-39.6176.8-70.2159.4-141.100111.3L330 A346 E347 A353 R354L330-E350 HydrophobicContact CD1-CG 4.05Å; L330-E350 HydrophobicContact CD2-CG 4.49Å; A346-E350 PolarHBondContact O-N 3.24Å; A346-E350 VanDerWaalsContact O-N 3.08Å; E347-E350 PolarHBondContact O-N 3.27Å; E350-A353 PolarHBondContact O-N 3.1Å; E350-R354 VanDerWaalsContact O-CB 3.25Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 3.39Å
351E97Very high96Very high103 Ų10362.6 Ų62.648%0.48134%0.338SS..Hα-helixtrans-58.8-56.9170.1-177.6172.8-124.800111.2E347 A353 R354 E355E347-E351 WeakPolarHBondContact O-CB 3.18Å; E347-E351 PolarHBondContact O-N 3.42Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.19Å; E351-R354 PolarHBondContact O-N 2.97Å; E351-R354 VanDerWaalsContact O-N 3.11Å; E351-E355 PolarHBondContact O-N 2.83Å
352V96.8Very high96.1Very high17 Ų1766.4 Ų66.410%0.10334%0.339CS..Hα-helixtrans-59.2-37.4177.3167.20000112.3T301 I306 V333 Q348 A356T301-V352 HydrophobicContact CG2-CG1 3.58Å; I306-V352 HydrophobicContact CD1-CG1 4.37Å; V333-V352 HydrophobicContact CG1-CG1 4.22Å; V333-V352 HydrophobicContact CG2-CG1 4.18Å; Q348-V352 VanDerWaalsContact O-CB 3.3Å; Q348-V352 WeakPolarHBondContact O-CB 3.5Å; Q348-V352 WeakPolarHBondContact O-CG2 3.21Å; Q348-V352 PolarHBondContact O-N 3.26Å; Q348-V352 VanDerWaalsContact O-N 3.15Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.09Å
353A97.8Very high96.3Very high0 Ų068.6 Ų68.60%035%0.345CS..Hα-helixtrans-68.9-38.8176.200000112.5Y326 L330 V333 R349 E350 E351 A356 F357Y326-A353 HydrophobicContact CE2-CB 3.99Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 3.68Å; L330-A353 HydrophobicContact CG-CB 4.39Å; V333-A353 HydrophobicContact CB-CB 4.48Å; V333-A353 HydrophobicContact CG2-CB 4.1Å; R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 2.97Å; E350-A353 PolarHBondContact O-N 3.1Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.19Å; A353-A356 PolarHBondContact O-N 3.06Å; A353-F357 WeakPolarHBondContact O-CB 3.49Å; A353-F357 PolarHBondContact O-N 3.13Å
354R97.8Very high96.4Very high137 Ų13763.3 Ų63.352%0.51731%0.309SS..Hα-helixtrans-68.4-43.7179.6-168.1-169.4-52127.76.7111.4Y326 E350 E351 T358Y326-R354 HydrophobicContact CE2-CB 4.11Å; E350-R354 VanDerWaalsContact O-CB 3.25Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 3.39Å; E351-R354 PolarHBondContact O-N 2.97Å; E351-R354 VanDerWaalsContact O-N 3.11Å; R354-T358 WeakPolarHBondContact O-CB 3.24Å; R354-T358 PolarHBondContact O-N 3.2Å; R354-T358 PolarHBondContact O-OG1 2.86Å
355E97.5Very high96.5Very high122 Ų12269.5 Ų69.557%0.5734%0.338SS*.Hα-helixtrans-60.5-50.8171.9-69.6-174.415400110.9E351 F357 T358 E359E351-E355 PolarHBondContact O-N 2.83Å; E355-F357 PolarHBondContact O-N 3.46Å; E355-T358 PolarHBondContact O-N 3.25Å; E355-E359 WeakPolarHBondContact O-CB 3.38Å; E355-E359 PolarHBondContact O-N 3.4Å
356A97.5Very high96.5Very high0 Ų071.7 Ų71.70%034%0.343CS..Hα-helixtrans-63.4-42.4-178.800000113.2Y298 I310 I329 V352 A353 E359 T360Y298-A356 HydrophobicContact CE2-CB 4.44Å; Y298-A356 VanDerWaalsContact OH-CB 3.25Å; Y298-A356 WeakPolarHBondContact OH-CB 3.24Å; I310-A356 HydrophobicContact CD1-CB 3.67Å; I329-A356 HydrophobicContact CG2-CB 3.96Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.09Å; A353-A356 PolarHBondContact O-N 3.06Å; A356-E359 PolarHBondContact O-N 3.42Å; A356-T360 WeakPolarHBondContact O-CB 3.32Å; A356-T360 WeakPolarHBondContact O-CG2 3.45Å; A356-T360 PolarHBondContact O-N 2.83Å; A356-T360 PolarHBondContact O-OG1 3.3Å
357F97.9Very high96.5Very high71 Ų7170.2 Ų70.231%0.31133%0.328SS..Hα-helixtrans-61.3-47.5175.5170.3-109.8000110.9P324 Y326 I329 A353 E355 E359 T360 G361P324-F357 WeakPolarHBondContact O-CE2 3.28Å; Y326-F357 HydrophobicContact CD2-CB 4.23Å; Y326-F357 HydrophobicContact CD2-CD1 4.27Å; Y326-F357 HydrophobicContact CD2-CG 4.32Å; I329-F357 HydrophobicContact CB-CB 4.23Å; I329-F357 HydrophobicContact CG1-CB 4.18Å; I329-F357 HydrophobicContact CG1-CD2 4.09Å; I329-F357 HydrophobicContact CG2-CB 4.19Å; A353-F357 WeakPolarHBondContact O-CB 3.49Å; A353-F357 PolarHBondContact O-N 3.13Å; E355-F357 PolarHBondContact O-N 3.46Å; F357-E359 VanDerWaalsContact C-N 3.33Å; F357-E359 PolarHBondContact O-N 3.36Å; F357-T360 PolarHBondContact O-N 2.98Å; F357-T360 PolarHBondContact O-OG1 3.19Å; F357-G361 PolarHBondContact O-N 2.96Å
358T97.2Very high96.4Very high70 Ų7067.5 Ų67.543%0.42931%0.311SS..Hα-helixtrans-61.6-40.8177-53.40000111.9R354 E355 K362R354-T358 WeakPolarHBondContact O-CB 3.24Å; R354-T358 PolarHBondContact O-N 3.2Å; R354-T358 PolarHBondContact O-OG1 2.86Å; E355-T358 PolarHBondContact O-N 3.25Å; T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 2.85Å
359E96.6Very high96.5Very high57 Ų5767.9 Ų67.927%0.26631%0.313SS..Hα-helixtrans-72.9-41-179.1-176.1174.9-160.900112.9Y298 G300 E355 A356 F357 R363Y298-E359 HydrophobicContact CE2-CB 4.29Å; Y298-E359 HydrophobicContact CE2-CG 4.21Å; Y298-E359 WeakPolarHBondContact CE2-OE2 3.43Å; G300-E359 VanDerWaalsContact CA-OE2 3.23Å; G300-E359 WeakPolarHBondContact CA-OE2 3.45Å; E355-E359 WeakPolarHBondContact O-CB 3.38Å; E355-E359 PolarHBondContact O-N 3.4Å; A356-E359 PolarHBondContact O-N 3.42Å; F357-E359 VanDerWaalsContact C-N 3.33Å; F357-E359 PolarHBondContact O-N 3.36Å; E359-R363 PolarHBondContact O-N 3.12Å; E359-R363 PolarHBondContact O-NH1 2.96Å; E359-R363 IonicContact OE1-CZ 3.21Å; E359-R363 IonicContact OE1-NH1 2.85Å; E359-R363 PolarHBondContact OE1-NH1 2.77Å; E359-R363 IonicContact OE1-NH2 2.76Å; E359-R363 PolarHBondContact OE1-NH2 3.21Å
360T95.7Very high96.5Very high1 Ų168 Ų681%0.00632%0.317CS..Hα-helixtrans-77-40.2-179.7520000112.3Y298 I310 I314 A356 F357 K362 R363 V364Y298-T360 HydrophobicContact CD2-CG2 3.42Å; Y298-T360 VanDerWaalsContact CD2-CG2 3.42Å; Y298-T360 HydrophobicContact CE2-CG2 3.81Å; Y298-T360 HydrophobicContact CG-CG2 3.96Å; I310-T360 HydrophobicContact CG2-CG2 3.76Å; I314-T360 HydrophobicContact CD1-CG2 3.67Å; I314-T360 HydrophobicContact CG2-CG2 4.23Å; A356-T360 WeakPolarHBondContact O-CB 3.32Å; A356-T360 WeakPolarHBondContact O-CG2 3.45Å; A356-T360 PolarHBondContact O-N 2.83Å; A356-T360 PolarHBondContact O-OG1 3.3Å; F357-T360 PolarHBondContact O-N 2.98Å; F357-T360 PolarHBondContact O-OG1 3.19Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 2.8Å; T360-R363 PolarHBondContact O-N 3.41Å; T360-R363 VanDerWaalsContact O-N 3.1Å; T360-V364 WeakPolarHBondContact O-CG2 3.39Å; T360-V364 PolarHBondContact O-N 3.48Å
361G95.4Very high96.5Very high33 Ų3364.7 Ų64.734%0.3430%0.302SS..Hα-helixtrans-56.1-44.9175.300000112F357 R363 V364 Q365F357-G361 PolarHBondContact O-N 2.96Å; G361-R363 PolarHBondContact O-N 3.45Å; G361-V364 PolarHBondContact O-N 3.02Å; G361-Q365 WeakPolarHBondContact O-CB 3.35Å; G361-Q365 PolarHBondContact O-N 2.98Å
362K96.1Very high96.5Very high134 Ų13464.6 Ų64.658%0.58330%0.304SS*.Hα-helixtrans-57.6-46.1173.4-75177.1180-174.10112.8T358 T360 Q365 E366T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 2.85Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 2.8Å; K362-Q365 PolarHBondContact O-N 2.63Å; K362-E366 VanDerWaalsContact O-CB 3.25Å; K362-E366 WeakPolarHBondContact O-CB 3.16Å; K362-E366 PolarHBondContact O-N 2.97Å
363R95.7Very high96.4Very high86 Ų8667.8 Ų67.833%0.32532%0.323SS..Hα-helixtrans-69.8-32178.5-75.9-179.4177.577.7-24.7113.4I296 E359 T360 G361 R367I296-R363 HydrophobicContact CD1-CB 4.34Å; I296-R363 HydrophobicContact CG2-CB 3.91Å; E359-R363 PolarHBondContact O-N 3.12Å; E359-R363 PolarHBondContact O-NH1 2.96Å; E359-R363 IonicContact OE1-CZ 3.21Å; E359-R363 IonicContact OE1-NH1 2.85Å; E359-R363 PolarHBondContact OE1-NH1 2.77Å; E359-R363 IonicContact OE1-NH2 2.76Å; E359-R363 PolarHBondContact OE1-NH2 3.21Å; T360-R363 PolarHBondContact O-N 3.41Å; T360-R363 VanDerWaalsContact O-N 3.1Å; G361-R363 PolarHBondContact O-N 3.45Å; R363-R367 VanDerWaalsContact O-CB 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.15Å; R363-R367 PolarHBondContact O-N 3.43Å
364V95.1Very high96.4Very high8 Ų875.5 Ų75.55%0.04835%0.354CS..Hα-helixtrans-69.5-42.2173.8171.40000110.4I296 P323 T360 G361 R367 R368I296-V364 HydrophobicContact CD1-CB 4.41Å; I296-V364 HydrophobicContact CD1-CG2 3.67Å; P323-V364 HydrophobicContact CB-CG1 4.42Å; T360-V364 WeakPolarHBondContact O-CG2 3.39Å; T360-V364 PolarHBondContact O-N 3.48Å; G361-V364 PolarHBondContact O-N 3.02Å; V364-R367 PolarHBondContact O-N 2.86Å; V364-R368 PolarHBondContact O-N 2.71Å
365Q95.4Very high96.3Very high141 Ų14173.3 Ų73.366%0.65935%0.352SS*.Hα-helixtrans-63-47173.8-174.6179.834.500111.7G361 K362 R368 H369G361-Q365 WeakPolarHBondContact O-CB 3.35Å; G361-Q365 PolarHBondContact O-N 2.98Å; K362-Q365 PolarHBondContact O-N 2.63Å; Q365-R368 PolarHBondContact O-N 2.77Å; Q365-H369 WeakPolarHBondContact O-CB 3.48Å; Q365-H369 PolarHBondContact O-N 3.07Å
366E95.9Very high96.2Very high108 Ų10874.4 Ų74.451%0.50536%0.355SS..Hα-helixtrans-59.2-46.1175.4-177.6178.3-154.300111.5K362 R368 H369 L370K362-E366 VanDerWaalsContact O-CB 3.25Å; K362-E366 WeakPolarHBondContact O-CB 3.16Å; K362-E366 PolarHBondContact O-N 2.97Å; E366-R368 PolarHBondContact O-N 2.95Å; E366-H369 PolarHBondContact O-N 3.24Å; E366-L370 HydrophobicContact CG-CD1 4.19Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 2.94Å
367R95.8Very high96.1Very high16 Ų1676.8 Ų76.86%0.0638%0.38CS..Hα-helixtrans-59.7-46.1175.3-171.2177.866.9-175.7-4.7111.9V291 I292 Q294 I296 N315 R363 V364 D371V291-R367 HydrophobicContact CG1-CG 4.09Å; V291-R367 VanDerWaalsContact O-CD 3.23Å; V291-R367 WeakPolarHBondContact O-CD 3.48Å; V291-R367 WeakPolarHBondContact O-CG 3.44Å; I292-R367 PolarHBondContact O-NE 3.31Å; I292-R367 PolarHBondContact O-NH1 3.1Å; Q294-R367 WeakPolarHBondContact O-CD 3.44Å; Q294-R367 PolarHBondContact O-NH1 2.88Å; I296-R367 HydrophobicContact CD1-CB 4.28Å; N315-R367 PolarHBondContact OD1-NH1 3.49Å; N315-R367 VanDerWaalsContact OD1-NH1 3.11Å; R363-R367 VanDerWaalsContact O-CB 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.15Å; R363-R367 PolarHBondContact O-N 3.43Å; V364-R367 PolarHBondContact O-N 2.86Å; R367-D371 WeakPolarHBondContact O-CB 3.46Å; R367-D371 PolarHBondContact O-N 3.02Å
368R95.2Very high96Very high95 Ų9574.6 Ų74.636%0.35837%0.374SS..Hα-helixtrans-65.3-37.7176.1-77-175.4174-171.9-0.4112.5Q320 N321 V364 Q365 E366 D371 L372Q320-R368 PolarHBondContact O-NH2 2.86Å; N321-R368 PolarHBondContact O-NH2 3.28Å; V364-R368 PolarHBondContact O-N 2.71Å; Q365-R368 PolarHBondContact O-N 2.77Å; E366-R368 PolarHBondContact O-N 2.95Å; R368-D371 PolarHBondContact O-N 3.41Å; R368-L372 PolarHBondContact O-N 3.41Å
369H96.4Very high95.8Very high92 Ų9276.1 Ų76.143%0.42637%0.372SS..Hα-helixtrans-68-44.1178177.355.1000112.1Q365 E366 D371 L372 V373Q365-H369 WeakPolarHBondContact O-CB 3.48Å; Q365-H369 PolarHBondContact O-N 3.07Å; E366-H369 PolarHBondContact O-N 3.24Å; H369-D371 VanDerWaalsContact C-N 3.35Å; H369-L372 PolarHBondContact O-N 2.94Å; H369-V373 VanDerWaalsContact O-CG2 3.32Å; H369-V373 WeakPolarHBondContact O-CG2 3.39Å; H369-V373 PolarHBondContact O-N 3.36Å
370L97.3Very high95.8Very high59 Ų5977.4 Ų77.431%0.30938%0.38SS..Hα-helixtrans-65.1-38.3174.2-70.7170.8000111.9V291 E366 V373 Y374V291-L370 HydrophobicContact CG1-CB 3.9Å; E366-L370 HydrophobicContact CG-CD1 4.19Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 2.94Å; L370-V373 PolarHBondContact O-N 2.97Å; L370-Y374 WeakPolarHBondContact O-CB 3.29Å; L370-Y374 PolarHBondContact O-N 3.34Å
371D96.4Very high95.8Very high9 Ų980.1 Ų80.15%0.04840%0.397CS..Hα-helixtrans-62.1-43.9174.4-159.777.3000111.9R290 V291 I292 R367 R368 H369 N375R290-D371 WeakPolarHBondContact CB-OD1 3.47Å; R290-D371 IonicContact CZ-OD2 3.53Å; R290-D371 VanDerWaalsContact CZ-OD2 3.3Å; R290-D371 IonicContact NE-OD1 3.08Å; R290-D371 IonicContact NE-OD2 3.57Å; R290-D371 PolarHBondContact NE-OD2 2.7Å; R290-D371 IonicContact NH2-OD2 2.64Å; R290-D371 PolarHBondContact NH2-OD2 3.05Å; V291-D371 WeakPolarHBondContact CA-OD1 3.43Å; V291-D371 HydrophobicContact CB-CB 3.89Å; V291-D371 WeakPolarHBondContact CB-OD1 3.19Å; V291-D371 PolarHBondContact N-OD1 3.07Å; I292-D371 HydrophobicContact CG2-CB 3.86Å; I292-D371 PolarHBondContact N-OD1 2.97Å; R367-D371 WeakPolarHBondContact O-CB 3.46Å; R367-D371 PolarHBondContact O-N 3.02Å; R368-D371 PolarHBondContact O-N 3.41Å; H369-D371 VanDerWaalsContact C-N 3.35Å; D371-N375 WeakPolarHBondContact O-CB 3.4Å; D371-N375 PolarHBondContact O-N 2.94Å; D371-N375 VanDerWaalsContact O-N 3.13Å; D371-N375 PolarHBondContact O-ND2 2.83Å
372L96.5Very high95.8Very high101 Ų10184.4 Ų84.453%0.52941%0.412SS..Hα-helixtrans-58.3-55.4171.6178.663.6000110.5R368 H369 Y374 N375 F376R368-L372 PolarHBondContact O-N 3.41Å; H369-L372 PolarHBondContact O-N 2.94Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.07Å; L372-N375 CarbonylContact O-C 3.53Å; L372-N375 PolarHBondContact O-N 2.85Å; L372-N375 VanDerWaalsContact O-N 3.14Å; L372-F376 HydrophobicContact CD1-CB 4.5Å; L372-F376 HydrophobicContact CD1-CD2 3.92Å; L372-F376 WeakPolarHBondContact O-CB 3.46Å; L372-F376 PolarHBondContact O-N 3.39Å
373V95.9Very high95.8Very high83 Ų8383.3 Ų83.350%0.50342%0.416SS..Hα-helixtrans-60.5-32.8-174.8170.30000113.2H369 L370H369-V373 VanDerWaalsContact O-CG2 3.32Å; H369-V373 WeakPolarHBondContact O-CG2 3.39Å; H369-V373 PolarHBondContact O-N 3.36Å; L370-V373 PolarHBondContact O-N 2.97Å
374Y96.3Very high95.8Very high163 Ų16387 Ų8764%0.63943%0.431SS*.Hα-helixtrans-87.6-14.8178.6-64.5-12.3000114.6V291 L370 L372V291-Y374 HydrophobicContact CG2-CD2 3.5Å; V291-Y374 HydrophobicContact CG2-CE2 4.1Å; V291-Y374 HydrophobicContact CG2-CG 4.43Å; L370-Y374 WeakPolarHBondContact O-CB 3.29Å; L370-Y374 PolarHBondContact O-N 3.34Å; L372-Y374 VanDerWaalsContact C-N 3.28Å; L372-Y374 PolarHBondContact O-N 3.07Å
375N95.8Very high95.8Very high90 Ų9093 Ų9348%0.48146%0.457SS..SBendtrans-124.120.9-177.7-55.5-88.9000112.7D371 L372D371-N375 WeakPolarHBondContact O-CB 3.4Å; D371-N375 PolarHBondContact O-N 2.94Å; D371-N375 VanDerWaalsContact O-N 3.13Å; D371-N375 PolarHBondContact O-ND2 2.83Å; L372-N375 CarbonylContact O-C 3.53Å; L372-N375 PolarHBondContact O-N 2.85Å; L372-N375 VanDerWaalsContact O-N 3.14Å
376F96.6Very high95.8Very high145 Ų14590.5 Ų90.564%0.63645%0.453SS*.  trans-87.1134.1-177.5-178.9-99.9000112.9L372L372-F376 HydrophobicContact CD1-CB 4.5Å; L372-F376 HydrophobicContact CD1-CD2 3.92Å; L372-F376 WeakPolarHBondContact O-CB 3.46Å; L372-F376 PolarHBondContact O-N 3.39Å
377G95.2Very high95.9Very high51 Ų5189.8 Ų89.853%0.52647%0.465SS..SBendtrans83.2-137.317000000113.8T381G377-T381 WeakPolarHBondContact CA-OG1 3.31Å
378S94.6Very high95.9Very high25 Ų2593.9 Ų93.918%0.17549%0.493CS..  trans-157.6-173.9-175.977.20000112.7Q245 L380 T381 D382Q245-S378 PolarHBondContact OE1-OG 3.26Å; S378-L380 PolarHBondContact O-N 3.3Å; S378-L380 PolarHBondContact OG-N 3.5Å; S378-T381 PolarHBondContact N-OG1 3.46Å; S378-T381 PolarHBondContact O-N 3.16Å; S378-T381 PolarHBondContact O-OG1 3.31Å; S378-D382 PolarHBondContact O-N 3.32Å; S378-D382 VanDerWaalsContact O-N 3.12Å
379R94.1Very high96Very high102 Ų10292.6 Ų92.639%0.38549%0.493SS..THydrogen-bonded Turntrans-47.6-23.6171.6-60-173.9-170.3171.10.2113.8N238 D239 Y242 D382N238-R379 PolarHBondContact OD1-NH2 2.87Å; D239-R379 IonicContact OD1-CZ 3.25Å; D239-R379 IonicContact OD1-NH1 2.83Å; D239-R379 PolarHBondContact OD1-NH1 3.37Å; D239-R379 IonicContact OD1-NH2 2.72Å; D239-R379 PolarHBondContact OD1-NH2 2.96Å; D239-R379 VanDerWaalsContact OD1-NH2 3.08Å; Y242-R379 HydrophobicContact CD2-CB 3.99Å; Y242-R379 HydrophobicContact CD2-CG 4.21Å; Y242-R379 HydrophobicContact CE2-CB 3.75Å; Y242-R379 HydrophobicContact CE2-CG 4.38Å; R379-D382 WeakPolarHBondContact CA-OD2 3.48Å
380L95.4Very high96.1Very high83 Ų8392.1 Ų92.144%0.43550%0.498SS..THydrogen-bonded Turntrans-76.7-31.6176.6-57.4-179.1000113Y242 Q245 Q246 S378Y242-L380 HydrophobicContact CE2-CD2 4.04Å; Q245-L380 VanDerWaalsContact O-CD1 3.31Å; Q245-L380 WeakPolarHBondContact O-CD1 3.49Å; Q246-L380 HydrophobicContact CG-CD1 4.27Å; Q246-L380 HydrophobicContact CG-CD2 4.04Å; S378-L380 PolarHBondContact O-N 3.3Å; S378-L380 PolarHBondContact OG-N 3.5Å
381T96.3Very high96.1Very high59 Ų5989.3 Ų89.336%0.36248%0.483SS..THydrogen-bonded Turntrans-97-17.2-178.9510000114G377 S378 T383 Y384G377-T381 WeakPolarHBondContact CA-OG1 3.31Å; S378-T381 PolarHBondContact N-OG1 3.46Å; S378-T381 PolarHBondContact O-N 3.16Å; S378-T381 PolarHBondContact O-OG1 3.31Å; T381-T383 PolarHBondContact O-N 2.75Å; T381-Y384 WeakPolarHBondContact O-CB 2.95Å; T381-Y384 PolarHBondContact O-N 2.95Å
382D95.6Very high96.1Very high122 Ų12294.3 Ų94.365%0.65251%0.509SS*.THydrogen-bonded Turntrans-52-25.7179.2-70.9-10.4000114.5S378 R379S378-D382 PolarHBondContact O-N 3.32Å; S378-D382 VanDerWaalsContact O-N 3.12Å; R379-D382 WeakPolarHBondContact CA-OD2 3.48Å
383T95.9Very high96.1Very high111 Ų11195.6 Ų95.668%0.68152%0.521SS*.THydrogen-bonded Turntrans-87.8-2.4179.965.60000114.2T381T381-T383 PolarHBondContact O-N 2.75Å
384Y96.1Very high96.3Very high164 Ų16494.8 Ų94.864%0.64351%0.514SS*.  trans-56.7133.4-177.3171.8-101.3000112.9T381 P386T381-Y384 WeakPolarHBondContact O-CB 2.95Å; T381-Y384 PolarHBondContact O-N 2.95Å; Y384-P386 HydrophobicContact CE1-CG 3.85Å
385K95.7Very high96.3Very high133 Ų13389.9 Ų89.958%0.57850%0.504SS*.  trans-140.7125.2175.9-68.2169.8-168.8168.90108.6A387 T388K385-A387 PolarHBondContact O-N 3.34Å; K385-A387 VanDerWaalsContact O-N 3.15Å; K385-T388 WeakPolarHBondContact O-CB 2.82Å; K385-T388 PolarHBondContact O-N 2.93Å
386P95.6Very high96.4Very high90 Ų9090.2 Ų90.258%0.58451%0.509SS*.G310 helixtrans-55.3-34178.4-28.234.7000113.7Y384 T388 D389Y384-P386 HydrophobicContact CE1-CG 3.85Å; P386-T388 PolarHBondContact O-N 3.12Å; P386-T388 VanDerWaalsContact O-N 3.13Å; P386-D389 PolarHBondContact O-N 3.35Å
387A96.5Very high96.5Very high92 Ų9286.4 Ų86.476%0.7650%0.495SS*.G310 helixtrans-711176.800000114.8K385K385-A387 PolarHBondContact O-N 3.34Å; K385-A387 VanDerWaalsContact O-N 3.15Å
388T96.8Very high96.7Very high103 Ų10386 Ų8663%0.63248%0.481SS*.G310 helixtrans-112.46.6178.6-49.70000112K385 P386 P390K385-T388 WeakPolarHBondContact O-CB 2.82Å; K385-T388 PolarHBondContact O-N 2.93Å; P386-T388 PolarHBondContact O-N 3.12Å; P386-T388 VanDerWaalsContact O-N 3.13Å; T388-P390 WeakPolarHBondContact O-CD 3.34Å
389D97.2Very high96.8Very high67 Ų6791.4 Ų91.436%0.35850%0.501SS..  trans-59.4119.4171.7176.32.7000111.2P386 A391 L392P386-D389 PolarHBondContact O-N 3.35Å; D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.13Å; D389-A391 VanDerWaalsContact OD1-CB 3.28Å; D389-A391 WeakPolarHBondContact OD1-CB 3.36Å; D389-A391 PolarHBondContact OD1-N 3.29Å; D389-L392 HydrophobicContact CB-CD1 4.21Å; D389-L392 HydrophobicContact CB-CG 4.13Å; D389-L392 WeakPolarHBondContact O-CB 3.33Å; D389-L392 WeakPolarHBondContact O-CG 3.41Å; D389-L392 PolarHBondContact O-N 3.04Å; D389-L392 VanDerWaalsContact O-N 3.09Å
390P97.9Very high97Very high82 Ų8292.3 Ų92.353%0.53251%0.508SS..G310 helixtrans-55.7-28.5177.6-26.335.8000114.2T388 L392 T393 D394 L397T388-P390 WeakPolarHBondContact O-CD 3.34Å; P390-L392 PolarHBondContact O-N 2.76Å; P390-T393 PolarHBondContact O-N 2.98Å; P390-T393 PolarHBondContact O-OG1 2.96Å; P390-D394 PolarHBondContact O-N 3.43Å; P390-L397 HydrophobicContact CB-CD2 4.12Å
391A97.6Very high97.2Very high1 Ų191.7 Ų91.71%0.00851%0.505CS..G310 helixtrans-64.7-21.5179.700000113.2D389 T393 L397 L398 L401D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.13Å; D389-A391 VanDerWaalsContact OD1-CB 3.28Å; D389-A391 WeakPolarHBondContact OD1-CB 3.36Å; D389-A391 PolarHBondContact OD1-N 3.29Å; A391-T393 PolarHBondContact O-N 2.68Å; A391-L397 HydrophobicContact CB-CD2 4Å; A391-L397 HydrophobicContact CB-CG 3.96Å; A391-L398 HydrophobicContact CB-CD1 4Å; A391-L401 HydrophobicContact CB-CD1 3.67Å
392L96.9Very high97.3Very high114 Ų11492.9 Ų92.960%0.59750%0.503SS*.G310 helixtrans-66.1-19.7171.2-59.8175.3000112.4D389 P390D389-L392 HydrophobicContact CB-CD1 4.21Å; D389-L392 HydrophobicContact CB-CG 4.13Å; D389-L392 WeakPolarHBondContact O-CB 3.33Å; D389-L392 WeakPolarHBondContact O-CG 3.41Å; D389-L392 PolarHBondContact O-N 3.04Å; D389-L392 VanDerWaalsContact O-N 3.09Å; P390-L392 PolarHBondContact O-N 2.76Å
393T97.4Very high97.4Very high127 Ų12790 Ų9078%0.77949%0.492SS*.THydrogen-bonded Turntrans-107.9-38.3-179.866.70000113.4P390 A391P390-T393 PolarHBondContact O-N 2.98Å; P390-T393 PolarHBondContact O-OG1 2.96Å; A391-T393 PolarHBondContact O-N 2.68Å
394D98.1Very high97.5Very high66 Ų6687.9 Ų87.935%0.35348%0.476SS..  trans-95.6106174.1177.827.8000112.5P390 T396 L397 L398P390-D394 PolarHBondContact O-N 3.43Å; D394-T396 PolarHBondContact O-N 2.61Å; D394-T396 VanDerWaalsContact O-N 3.12Å; D394-T396 WeakPolarHBondContact OD1-CA 3.41Å; D394-T396 WeakPolarHBondContact OD1-CB 3.39Å; D394-T396 PolarHBondContact OD1-N 3.01Å; D394-T396 PolarHBondContact OD1-OG1 3.18Å; D394-T396 WeakPolarHBondContact OD2-CB 3.3Å; D394-L397 HydrophobicContact CB-CB 4.07Å; D394-L397 PolarHBondContact O-N 3.42Å; D394-L397 VanDerWaalsContact OD2-CB 3.22Å; D394-L397 WeakPolarHBondContact OD2-CB 3.39Å; D394-L397 PolarHBondContact OD2-N 3.11Å; D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 PolarHBondContact O-N 3.46Å
395S97.8Very high97.6Very high61 Ų6187 Ų8743%0.42747%0.472SS..Hα-helixtrans-61.9-17.5174.481.70000114.3K399S395-K399 WeakPolarHBondContact O-CB 3.4Å; S395-K399 VanDerWaalsContact O-CD 3.24Å; S395-K399 WeakPolarHBondContact O-CD 3.48Å; S395-K399 WeakPolarHBondContact O-CG 3.41Å; S395-K399 PolarHBondContact O-N 3.2Å; S395-K399 VanDerWaalsContact O-N 3.11Å
396T98.4Very high97.7Very high97 Ų9785.2 Ų85.260%0.59547%0.468SS*.Hα-helixtrans-78.5-52.7179.1-37.60000110.1D394 L398 K399 K400D394-T396 PolarHBondContact O-N 2.61Å; D394-T396 VanDerWaalsContact O-N 3.12Å; D394-T396 WeakPolarHBondContact OD1-CA 3.41Å; D394-T396 WeakPolarHBondContact OD1-CB 3.39Å; D394-T396 PolarHBondContact OD1-N 3.01Å; D394-T396 PolarHBondContact OD1-OG1 3.18Å; D394-T396 WeakPolarHBondContact OD2-CB 3.3Å; T396-L398 VanDerWaalsContact C-N 3.3Å; T396-L398 PolarHBondContact O-N 2.9Å; T396-K399 PolarHBondContact O-N 3.43Å; T396-K400 PolarHBondContact O-N 3.18Å
397L98.1Very high97.9Very high64 Ų6484.9 Ų84.934%0.33546%0.464SS..Hα-helixtrans-53.1-47.3167.3178.759.1000110.9P390 A391 D394 K399 K400 L401P390-L397 HydrophobicContact CB-CD2 4.12Å; A391-L397 HydrophobicContact CB-CD2 4Å; A391-L397 HydrophobicContact CB-CG 3.96Å; D394-L397 HydrophobicContact CB-CB 4.07Å; D394-L397 PolarHBondContact O-N 3.42Å; D394-L397 VanDerWaalsContact OD2-CB 3.22Å; D394-L397 WeakPolarHBondContact OD2-CB 3.39Å; D394-L397 PolarHBondContact OD2-N 3.11Å; L397-K399 PolarHBondContact O-N 2.64Å; L397-K400 CarbonylContact O-C 3.57Å; L397-K400 PolarHBondContact O-N 2.96Å; L397-K400 VanDerWaalsContact O-N 3.08Å; L397-L401 HydrophobicContact CD1-CD1 4.12Å; L397-L401 HydrophobicContact CD1-CD2 4.44Å; L397-L401 HydrophobicContact CD1-CG 4.03Å; L397-L401 HydrophobicContact CG-CD1 4.07Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.42Å
398L98Very high98Very high44 Ų4482.7 Ų82.723%0.2345%0.445CS..Hα-helixtrans-56.7-45.3178.1-164.966.8000112.9A391 D394 T396 L401 R402 L663A391-L398 HydrophobicContact CB-CD1 4Å; D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 PolarHBondContact O-N 3.46Å; T396-L398 VanDerWaalsContact C-N 3.3Å; T396-L398 PolarHBondContact O-N 2.9Å; L398-L401 PolarHBondContact O-N 3.08Å; L398-R402 WeakPolarHBondContact O-CB 3.41Å; L398-R402 WeakPolarHBondContact O-CG 3.43Å; L398-R402 PolarHBondContact O-N 3.3Å; L398-L663 HydrophobicContact CD1-CD1 3.31Å; L398-L663 HydrophobicContact CG-CD1 4.12Å
399K98.3Very high98Very high138 Ų13881.8 Ų81.860%0.644%0.436SS*.Hα-helixtrans-64.8-39.6175.4-74.8161.9-171155.70111.8S395 T396 L397 R402 S403S395-K399 WeakPolarHBondContact O-CB 3.4Å; S395-K399 VanDerWaalsContact O-CD 3.24Å; S395-K399 WeakPolarHBondContact O-CD 3.48Å; S395-K399 WeakPolarHBondContact O-CG 3.41Å; S395-K399 PolarHBondContact O-N 3.2Å; S395-K399 VanDerWaalsContact O-N 3.11Å; T396-K399 PolarHBondContact O-N 3.43Å; L397-K399 PolarHBondContact O-N 2.64Å; K399-R402 PolarHBondContact O-N 3.43Å; K399-S403 WeakPolarHBondContact O-CB 3.49Å; K399-S403 PolarHBondContact O-N 3Å
400K98.5Very high98.1Very high120 Ų12081.6 Ų81.652%0.52244%0.44SS..Hα-helixtrans-66.1-41.2176.3-178.652.2174.8149.30111.6T396 L397 S403 N404T396-K400 PolarHBondContact O-N 3.18Å; L397-K400 CarbonylContact O-C 3.57Å; L397-K400 PolarHBondContact O-N 2.96Å; L397-K400 VanDerWaalsContact O-N 3.08Å; K400-S403 PolarHBondContact O-N 2.9Å; K400-N404 VanDerWaalsContact CE-OD1 3.27Å; K400-N404 WeakPolarHBondContact CE-OD1 3.33Å; K400-N404 PolarHBondContact NZ-OD1 3.13Å; K400-N404 WeakPolarHBondContact O-CB 3.48Å; K400-N404 PolarHBondContact O-N 3.34Å; K400-N404 PolarHBondContact O-OD1 2.94Å
401L98.3Very high98.1Very high70 Ų7084.7 Ų84.737%0.36644%0.441SS..Hα-helixtrans-67.1-42.5175.1-66.8178.7000112.2A391 L397 L398 S403 N404 R405A391-L401 HydrophobicContact CB-CD1 3.67Å; L397-L401 HydrophobicContact CD1-CD1 4.12Å; L397-L401 HydrophobicContact CD1-CD2 4.44Å; L397-L401 HydrophobicContact CD1-CG 4.03Å; L397-L401 HydrophobicContact CG-CD1 4.07Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.42Å; L398-L401 PolarHBondContact O-N 3.08Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.21Å; L401-N404 PolarHBondContact O-N 3.19Å; L401-R405 WeakPolarHBondContact O-CB 3.16Å; L401-R405 PolarHBondContact O-N 3.47Å
402R98.1Very high98.1Very high85 Ų8590 Ų9032%0.32147%0.469SS..Hα-helixtrans-56-44.7170.7-77.5-179.2171.3-162.7-4.7111.6L398 K399 R405 I406 D660 L663L398-R402 WeakPolarHBondContact O-CB 3.41Å; L398-R402 WeakPolarHBondContact O-CG 3.43Å; L398-R402 PolarHBondContact O-N 3.3Å; K399-R402 PolarHBondContact O-N 3.43Å; R402-R405 PolarHBondContact O-N 3.38Å; R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 2.71Å; R402-D660 IonicContact CZ-OD1 3Å; R402-D660 VanDerWaalsContact CZ-OD1 3.25Å; R402-D660 IonicContact NH1-OD1 2.71Å; R402-D660 PolarHBondContact NH1-OD1 3.43Å; R402-D660 IonicContact NH2-OD1 3.65Å; R402-D660 PolarHBondContact NH2-OD1 2.94Å; R402-L663 HydrophobicContact CG-CD1 4.16Å; R402-L663 HydrophobicContact CG-CD2 4.17Å; R402-L663 HydrophobicContact CG-CG 4.47Å
403S98.5Very high98.2Very high61 Ų6190.4 Ų90.443%0.42747%0.468SS..Hα-helixtrans-64.8-44.5175.5175.70000112.8K399 K400 L401 R405 I406 V407K399-S403 WeakPolarHBondContact O-CB 3.49Å; K399-S403 PolarHBondContact O-N 3Å; K400-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.21Å; S403-R405 VanDerWaalsContact C-N 3.31Å; S403-R405 PolarHBondContact O-N 3.39Å; S403-I406 PolarHBondContact O-N 3.38Å; S403-V407 PolarHBondContact O-N 3.42Å
404N98.4Very high98.2Very high66 Ų6689.1 Ų89.135%0.35345%0.453SS..Hα-helixtrans-60.4-40.2176.2-69.7-4.6000111.5K400 L401 I406 V407 A408K400-N404 VanDerWaalsContact CE-OD1 3.27Å; K400-N404 WeakPolarHBondContact CE-OD1 3.33Å; K400-N404 PolarHBondContact NZ-OD1 3.13Å; K400-N404 WeakPolarHBondContact O-CB 3.48Å; K400-N404 PolarHBondContact O-N 3.34Å; K400-N404 PolarHBondContact O-OD1 2.94Å; L401-N404 PolarHBondContact O-N 3.19Å; N404-I406 PolarHBondContact O-N 2.94Å; N404-V407 PolarHBondContact O-N 3.16Å; N404-A408 WeakPolarHBondContact O-CB 3.19Å; N404-A408 PolarHBondContact O-N 2.91Å
405R97.9Very high98.2Very high146 Ų14689.6 Ų89.655%0.55146%0.458SS*.Hα-helixtrans-62.9-40.3178.617957.1172173.5-1.7112.5L401 R402 S403 A408 L409L401-R405 WeakPolarHBondContact O-CB 3.16Å; L401-R405 PolarHBondContact O-N 3.47Å; R402-R405 PolarHBondContact O-N 3.38Å; S403-R405 VanDerWaalsContact C-N 3.31Å; S403-R405 PolarHBondContact O-N 3.39Å; R405-A408 PolarHBondContact O-N 2.98Å; R405-L409 HydrophobicContact CG-CD1 4.35Å; R405-L409 WeakPolarHBondContact O-CG 3.2Å; R405-L409 PolarHBondContact O-N 2.91Å; R405-L409 VanDerWaalsContact O-N 3.08Å
406I98.3Very high98.3Very high96 Ų9692.3 Ų92.349%0.49247%0.467SS..Hα-helixtrans-61.9-50.1175.3-65.8165000110R402 S403 N404 A408 L409 S410R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 2.71Å; S403-I406 PolarHBondContact O-N 3.38Å; N404-I406 PolarHBondContact O-N 2.94Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 2.9Å; I406-L409 PolarHBondContact O-N 3.12Å; I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.1Å; I406-S410 PolarHBondContact O-OG 3.09Å
407V98.5Very high98.2Very high83 Ų8392.3 Ų92.350%0.50346%0.463SS..Hα-helixtrans-60.3-43.3178.4176.60000111.4S403 N404 L409 S410 R411S403-V407 PolarHBondContact O-N 3.42Å; N404-V407 PolarHBondContact O-N 3.16Å; V407-L409 PolarHBondContact O-N 3.08Å; V407-S410 PolarHBondContact O-N 2.94Å; V407-R411 HydrophobicContact CG1-CG 4.21Å; V407-R411 WeakPolarHBondContact O-CB 3.24Å; V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.16Å; V407-R411 PolarHBondContact O-N 3.25Å
408A98.3Very high98.2Very high45 Ų4594.8 Ų94.837%0.37247%0.471SS..Hα-helixtrans-61.9-40.5179.200000112.8N404 R405 I406 R411 L412N404-A408 WeakPolarHBondContact O-CB 3.19Å; N404-A408 PolarHBondContact O-N 2.91Å; R405-A408 PolarHBondContact O-N 2.98Å; I406-A408 VanDerWaalsContact C-N 3.34Å; I406-A408 PolarHBondContact O-N 2.9Å; A408-R411 PolarHBondContact O-N 3.24Å; A408-L412 WeakPolarHBondContact O-CG 3.39Å; A408-L412 PolarHBondContact O-N 2.91Å; A408-L412 VanDerWaalsContact O-N 3.14Å
409L97.9Very high98.1Very high84 Ų8499.3 Ų99.344%0.4449%0.486SS..Hα-helixtrans-66-48.3176.5-71.9171.5000111.6R405 I406 V407 R411 L412 E413R405-L409 HydrophobicContact CG-CD1 4.35Å; R405-L409 WeakPolarHBondContact O-CG 3.2Å; R405-L409 PolarHBondContact O-N 2.91Å; R405-L409 VanDerWaalsContact O-N 3.08Å; I406-L409 PolarHBondContact O-N 3.12Å; V407-L409 PolarHBondContact O-N 3.08Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.32Å; L409-L412 PolarHBondContact O-N 2.97Å; L409-E413 PolarHBondContact O-N 3.37Å
410S98.3Very high98.1Very high63 Ų6395 Ų9544%0.44148%0.476SS..Hα-helixtrans-64.7-30.4177.6-610000113.3I406 V407 E414I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.1Å; I406-S410 PolarHBondContact O-OG 3.09Å; V407-S410 PolarHBondContact O-N 2.94Å; S410-E414 VanDerWaalsContact O-CB 3.26Å; S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 PolarHBondContact O-N 2.94Å
411R98.5Very high97.9Very high148 Ų14893.5 Ų93.556%0.55848%0.477SS*.Hα-helixtrans-69.7-35.7173.3-76.1-55-153.6171.47.2112.9V407 A408 L409 E414 V415V407-R411 HydrophobicContact CG1-CG 4.21Å; V407-R411 WeakPolarHBondContact O-CB 3.24Å; V407-R411 VanDerWaalsContact O-CG 3.31Å; V407-R411 WeakPolarHBondContact O-CG 3.16Å; V407-R411 PolarHBondContact O-N 3.25Å; A408-R411 PolarHBondContact O-N 3.24Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.32Å; R411-E414 WeakPolarHBondContact CD-OE2 3.49Å; R411-E414 IonicContact CZ-OE2 3.81Å; R411-E414 IonicContact NE-OE2 3.62Å; R411-E414 VanDerWaalsContact NH1-CD 3.27Å; R411-E414 IonicContact NH1-OE1 3.75Å; R411-E414 PolarHBondContact NH1-OE1 3.13Å; R411-E414 VanDerWaalsContact NH1-OE1 3.07Å; R411-E414 IonicContact NH1-OE2 3.68Å; R411-E414 PolarHBondContact NH1-OE2 2.81Å; R411-V415 WeakPolarHBondContact O-CG2 3.41Å; R411-V415 PolarHBondContact O-N 2.89Å; R411-V415 VanDerWaalsContact O-N 3.16Å
412L98.3Very high97.8Very high113 Ų11393.8 Ų93.859%0.59248%0.476SS*.Hα-helixtrans-68-43.4174.4-71.2167.5000110.8A408 L409 V415 I416A408-L412 WeakPolarHBondContact O-CG 3.39Å; A408-L412 PolarHBondContact O-N 2.91Å; A408-L412 VanDerWaalsContact O-N 3.14Å; L409-L412 PolarHBondContact O-N 2.97Å; L412-V415 PolarHBondContact O-N 3.32Å; L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.83Å; L412-I416 VanDerWaalsContact O-N 3.08Å
413E98Very high97.5Very high122 Ų12295.7 Ų95.757%0.5749%0.489SS*.Hα-helixtrans-59.8-49.4174.4-168.4169.6-14100111.5L409 V415 I416 D417L409-E413 PolarHBondContact O-N 3.37Å; E413-V415 VanDerWaalsContact C-N 3.31Å; E413-V415 PolarHBondContact O-N 3.42Å; E413-I416 PolarHBondContact O-N 3.34Å; E413-D417 WeakPolarHBondContact O-CB 3.48Å; E413-D417 PolarHBondContact O-N 2.95Å
414E98.3Very high97.2Very high100 Ų10097.9 Ų97.947%0.46750%0.496SS..Hα-helixtrans-55-40.5175.6-179.3-173.5-174.400113.2S410 R411 K418S410-E414 VanDerWaalsContact O-CB 3.26Å; S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 PolarHBondContact O-N 2.94Å; R411-E414 WeakPolarHBondContact CD-OE2 3.49Å; R411-E414 IonicContact CZ-OE2 3.81Å; R411-E414 IonicContact NE-OE2 3.62Å; R411-E414 VanDerWaalsContact NH1-CD 3.27Å; R411-E414 IonicContact NH1-OE1 3.75Å; R411-E414 PolarHBondContact NH1-OE1 3.13Å; R411-E414 VanDerWaalsContact NH1-OE1 3.07Å; R411-E414 IonicContact NH1-OE2 3.68Å; R411-E414 PolarHBondContact NH1-OE2 2.81Å; E414-K418 VanDerWaalsContact O-CB 3.22Å; E414-K418 WeakPolarHBondContact O-CB 3.44Å; E414-K418 PolarHBondContact O-N 3.32Å
415V98.4Very high96.8Very high75 Ų7598 Ų9846%0.45550%0.499SS..Hα-helixtrans-71.4-43.1178.8169.60000111.6R411 L412 E413 K418 Y419R411-V415 WeakPolarHBondContact O-CG2 3.41Å; R411-V415 PolarHBondContact O-N 2.89Å; R411-V415 VanDerWaalsContact O-N 3.16Å; L412-V415 PolarHBondContact O-N 3.32Å; E413-V415 VanDerWaalsContact C-N 3.31Å; E413-V415 PolarHBondContact O-N 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å; V415-Y419 HydrophobicContact CG1-CD2 4.06Å; V415-Y419 HydrophobicContact CG1-CE2 4.14Å; V415-Y419 WeakPolarHBondContact O-CD2 3.22Å; V415-Y419 PolarHBondContact O-N 3.46Å
416I97.9Very high96.3Very high119 Ų11996.3 Ų96.361%0.6150%0.497SS*.Hα-helixtrans-64.2-47.6177.5-66-65.1000110.6L412 E413 K418 Y419 A420L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.83Å; L412-I416 VanDerWaalsContact O-N 3.08Å; E413-I416 PolarHBondContact O-N 3.34Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.43Å; I416-Y419 PolarHBondContact O-N 3.5Å; I416-A420 WeakPolarHBondContact O-CB 3.47Å; I416-A420 PolarHBondContact O-N 3.41Å
417D97.7Very high95.5Very high97 Ų9795.3 Ų95.352%0.51949%0.493SS..Hα-helixtrans-61-40.9177.3-81.2-1.7000111.7E413 Y419 A420 V421E413-D417 WeakPolarHBondContact O-CB 3.48Å; E413-D417 PolarHBondContact O-N 2.95Å; D417-Y419 PolarHBondContact O-N 2.74Å; D417-A420 PolarHBondContact O-N 2.99Å; D417-V421 WeakPolarHBondContact O-CB 3.44Å; D417-V421 VanDerWaalsContact O-CG2 3.3Å; D417-V421 WeakPolarHBondContact O-CG2 3.32Å; D417-V421 PolarHBondContact O-N 2.94Å
418K97.6Very high94.5Very high115 Ų11595.3 Ų95.350%0.549%0.49SS..Hα-helixtrans-57.3-49.6176.3-177.7-154.1169-155.40111.5E414 V415 I416 Q422E414-K418 VanDerWaalsContact O-CB 3.22Å; E414-K418 WeakPolarHBondContact O-CB 3.44Å; E414-K418 PolarHBondContact O-N 3.32Å; V415-K418 PolarHBondContact O-N 2.99Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.43Å; K418-Q422 WeakPolarHBondContact O-CB 3.43Å; K418-Q422 PolarHBondContact O-N 2.61Å
419Y97Very high93.7Very high139 Ų13998.6 Ų98.655%0.54550%0.498SS..Hα-helixtrans-72.8-34.8-178.3-79.9-72.2000112.7V415 I416 D417 Q422 Q423V415-Y419 HydrophobicContact CG1-CD2 4.06Å; V415-Y419 HydrophobicContact CG1-CE2 4.14Å; V415-Y419 WeakPolarHBondContact O-CD2 3.22Å; V415-Y419 PolarHBondContact O-N 3.46Å; I416-Y419 PolarHBondContact O-N 3.5Å; D417-Y419 PolarHBondContact O-N 2.74Å; Y419-Q422 PolarHBondContact O-N 3.34Å; Y419-Q423 PolarHBondContact O-N 2.9Å
420A96.4Very high92.9Very high48 Ų48101 Ų10140%0.39751%0.505SS..Hα-helixtrans-61.6-46.4172.200000111.8I416 D417 Q423 D424I416-A420 WeakPolarHBondContact O-CB 3.47Å; I416-A420 PolarHBondContact O-N 3.41Å; D417-A420 PolarHBondContact O-N 2.99Å; A420-Q423 PolarHBondContact O-N 3.05Å; A420-D424 WeakPolarHBondContact O-CB 3.35Å; A420-D424 PolarHBondContact O-N 3.35Å
421V96.1Very high91.8Very high89 Ų89102 Ų10254%0.53951%0.505SS..Hα-helixtrans-65.2-38175.71710000111.6D417 D424 T425D417-V421 WeakPolarHBondContact O-CB 3.44Å; D417-V421 VanDerWaalsContact O-CG2 3.3Å; D417-V421 WeakPolarHBondContact O-CG2 3.32Å; D417-V421 PolarHBondContact O-N 2.94Å; V421-D424 PolarHBondContact O-N 3.18Å; V421-T425 WeakPolarHBondContact O-CG2 3.34Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.32Å
422Q94.6Very high90.9Very high76 Ų76102.1 Ų102.136%0.35551%0.505SS..Hα-helixtrans-61.6-49.4176-178.6172.7-16.900111.2K418 Y419 D424 T425 E426K418-Q422 WeakPolarHBondContact O-CB 3.43Å; K418-Q422 PolarHBondContact O-N 2.61Å; Y419-Q422 PolarHBondContact O-N 3.34Å; Q422-D424 PolarHBondContact O-N 3.36Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.38Å; Q422-T425 PolarHBondContact O-N 3.16Å; Q422-T425 VanDerWaalsContact O-N 3.1Å; Q422-T425 PolarHBondContact O-OG1 2.88Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.14Å; Q422-E426 PolarHBondContact NE2-OE1 3.07Å; Q422-E426 WeakPolarHBondContact O-CG 3.5Å; Q422-E426 PolarHBondContact O-N 2.89Å
423Q93.6Very high89.6Confident125 Ų125102.3 Ų102.358%0.58451%0.505SS*.Hα-helixtrans-58.2-47.1175.5-175.7179.5-9.500111.6Y419 A420 T425 E426 D427Y419-Q423 PolarHBondContact O-N 2.9Å; A420-Q423 PolarHBondContact O-N 3.05Å; Q423-T425 VanDerWaalsContact C-N 3.27Å; Q423-T425 PolarHBondContact O-N 3.28Å; Q423-E426 PolarHBondContact O-N 2.99Å; Q423-D427 PolarHBondContact O-N 3.15Å
424D92.2Very high88.6Confident106 Ų106100.5 Ų100.557%0.56750%0.499SS*.Hα-helixtrans-56.2-39.9174.8-100.4-9.9000111.8A420 V421 Q422 N428A420-D424 WeakPolarHBondContact O-CB 3.35Å; A420-D424 PolarHBondContact O-N 3.35Å; V421-D424 PolarHBondContact O-N 3.18Å; Q422-D424 PolarHBondContact O-N 3.36Å; D424-N428 VanDerWaalsContact O-CB 3.24Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.08Å; D424-N428 PolarHBondContact O-ND2 2.92Å
425T89.6Confident87.5Confident70 Ų70100.7 Ų100.743%0.42950%0.498SS..Hα-helixtrans-69.8-43.5177.249.10000113V421 Q422 Q423 N428 E429V421-T425 WeakPolarHBondContact O-CG2 3.34Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.32Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.38Å; Q422-T425 PolarHBondContact O-N 3.16Å; Q422-T425 VanDerWaalsContact O-N 3.1Å; Q422-T425 PolarHBondContact O-OG1 2.88Å; Q423-T425 VanDerWaalsContact C-N 3.27Å; Q423-T425 PolarHBondContact O-N 3.28Å; T425-N428 CarbonylContact O-C 3.51Å; T425-N428 PolarHBondContact O-N 2.97Å; T425-E429 WeakPolarHBondContact O-CG 3.43Å; T425-E429 PolarHBondContact O-N 2.91Å
426E86.2Confident86.1Confident109 Ų109102.7 Ų102.751%0.50950%0.502SS..Hα-helixtrans-65-44179.9-71173.5-162.100111.4Q422 Q423 N428 E429 K430Q422-E426 WeakPolarHBondContact CG-OE1 3.14Å; Q422-E426 PolarHBondContact NE2-OE1 3.07Å; Q422-E426 WeakPolarHBondContact O-CG 3.5Å; Q422-E426 PolarHBondContact O-N 2.89Å; Q423-E426 PolarHBondContact O-N 2.99Å; E426-N428 PolarHBondContact O-N 2.89Å; E426-E429 PolarHBondContact O-N 3.15Å; E426-K430 WeakPolarHBondContact O-CB 3.4Å; E426-K430 PolarHBondContact O-N 2.82Å
427D82.1Confident84.4Confident76 Ų76102.3 Ų102.341%0.40650%0.501SS..Hα-helixtrans-63.6-39172.3-90.1-29000111.7Q423 E429 L431Q423-D427 PolarHBondContact O-N 3.15Å; D427-E429 PolarHBondContact O-N 3.14Å; D427-L431 WeakPolarHBondContact O-CB 3.48Å; D427-L431 WeakPolarHBondContact O-CD1 3.34Å; D427-L431 WeakPolarHBondContact O-CG 3.25Å; D427-L431 PolarHBondContact O-N 2.71Å
428N78.4Confident82.6Confident82 Ų82105 Ų10544%0.43951%0.511SS..Hα-helixtrans-67.6-31.8175.4-90.5-83.6000113.5D424 T425 E426 R432D424-N428 VanDerWaalsContact O-CB 3.24Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.08Å; D424-N428 PolarHBondContact O-ND2 2.92Å; T425-N428 CarbonylContact O-C 3.51Å; T425-N428 PolarHBondContact O-N 2.97Å; E426-N428 PolarHBondContact O-N 2.89Å; N428-R432 WeakPolarHBondContact O-CD 3.31Å; N428-R432 VanDerWaalsContact O-CG 3.24Å; N428-R432 WeakPolarHBondContact O-CG 3.47Å; N428-R432 PolarHBondContact O-N 2.86Å
429E80.6Confident80.7Confident115 Ų115107.2 Ų107.254%0.53752%0.521SS..Hα-helixtrans-77.1-41.5175.7-72.2-165167.900112T425 E426 D427 L431 R432 M433T425-E429 WeakPolarHBondContact O-CG 3.43Å; T425-E429 PolarHBondContact O-N 2.91Å; E426-E429 PolarHBondContact O-N 3.15Å; D427-E429 PolarHBondContact O-N 3.14Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.96Å; E429-R432 WeakPolarHBondContact O-CA 3.47Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 3.31Å; E429-M433 WeakPolarHBondContact O-CG 3.38Å; E429-M433 PolarHBondContact O-N 3.13Å
430K80.3Confident78.8Confident134 Ų134106.3 Ų106.358%0.58353%0.529SS*.Hα-helixtrans-55.5-48.1169.3-168.7173-175.2174.40111.3E426 R432 M433 D434E426-K430 WeakPolarHBondContact O-CB 3.4Å; E426-K430 PolarHBondContact O-N 2.82Å; K430-R432 PolarHBondContact O-N 3.28Å; K430-R432 VanDerWaalsContact O-N 3.15Å; K430-M433 PolarHBondContact O-N 3.09Å; K430-D434 PolarHBondContact O-N 3.32Å
431L76.7Confident76.6Confident83 Ų83106.3 Ų106.344%0.43553%0.534SS..Hα-helixtrans-65.3-11.6173.2-74.9173.2000114.5D427 E429 K435D427-L431 WeakPolarHBondContact O-CB 3.48Å; D427-L431 WeakPolarHBondContact O-CD1 3.34Å; D427-L431 WeakPolarHBondContact O-CG 3.25Å; D427-L431 PolarHBondContact O-N 2.71Å; E429-L431 VanDerWaalsContact C-N 3.32Å; E429-L431 PolarHBondContact O-N 2.96Å; L431-K435 WeakPolarHBondContact O-CD 3.49Å; L431-K435 WeakPolarHBondContact O-CG 3.27Å; L431-K435 PolarHBondContact O-NZ 3.08Å
432R78.4Confident74.3Confident152 Ų152111.2 Ų111.257%0.57455%0.551SS**Hα-helixtrans-88.7-47.5168.1-72.8163.8-168.1-160.25.5110.8N428 E429 K430 D434 K435 E436N428-R432 WeakPolarHBondContact O-CD 3.31Å; N428-R432 VanDerWaalsContact O-CG 3.24Å; N428-R432 WeakPolarHBondContact O-CG 3.47Å; N428-R432 PolarHBondContact O-N 2.86Å; E429-R432 WeakPolarHBondContact O-CA 3.47Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 3.31Å; K430-R432 PolarHBondContact O-N 3.28Å; K430-R432 VanDerWaalsContact O-N 3.15Å; R432-D434 VanDerWaalsContact C-N 3.3Å; R432-D434 PolarHBondContact O-N 3.46Å; R432-K435 CarbonylContact O-C 3.49Å; R432-K435 WeakPolarHBondContact O-CA 3.32Å; R432-K435 PolarHBondContact O-N 2.66Å; R432-E436 PolarHBondContact O-N 2.89Å
433M71.8Confident71.9Confident117 Ų117116.8 Ų116.858%0.57657%0.574SS**Hα-helixtrans-56.8-43.6177.4-64.6-60.317600111.5E429 K430 K435 E436 N437E429-M433 WeakPolarHBondContact O-CG 3.38Å; E429-M433 PolarHBondContact O-N 3.13Å; K430-M433 PolarHBondContact O-N 3.09Å; M433-K435 PolarHBondContact O-N 3.04Å; M433-E436 PolarHBondContact O-N 3.04Å; M433-N437 WeakPolarHBondContact O-CB 3.43Å; M433-N437 PolarHBondContact O-N 3.47Å; M433-N437 PolarHBondContact O-ND2 2.9Å
434D76.6Confident69.3Low83 Ų83116.3 Ų116.344%0.44458%0.584SS.*Hα-helixtrans-60.2-43174.1-70.8-25.4000112.1K430 R432 E436 N437 E438K430-D434 PolarHBondContact O-N 3.32Å; R432-D434 VanDerWaalsContact C-N 3.3Å; R432-D434 PolarHBondContact O-N 3.46Å; D434-E436 VanDerWaalsContact C-N 3.26Å; D434-E436 PolarHBondContact O-N 3.12Å; D434-N437 PolarHBondContact O-N 3.02Å; D434-E438 WeakPolarHBondContact O-CG 3.34Å; D434-E438 PolarHBondContact O-N 3.13Å
435K75.2Confident66.9Low105 Ų105121.1 Ų121.146%0.45760%0.6SS.*Hα-helixtrans-73-14178.1-71.6-178.5-169.178.10114.1L431 R432 M433 K439L431-K435 WeakPolarHBondContact O-CD 3.49Å; L431-K435 WeakPolarHBondContact O-CG 3.27Å; L431-K435 PolarHBondContact O-NZ 3.08Å; R432-K435 CarbonylContact O-C 3.49Å; R432-K435 WeakPolarHBondContact O-CA 3.32Å; R432-K435 PolarHBondContact O-N 2.66Å; M433-K435 PolarHBondContact O-N 3.04Å; K435-K439 VanDerWaalsContact O-CD 3.3Å; K435-K439 WeakPolarHBondContact O-CD 2.99Å; K435-K439 VanDerWaalsContact O-CE 3.27Å; K435-K439 WeakPolarHBondContact O-CE 3.26Å; K435-K439 WeakPolarHBondContact O-CG 3Å
436E68.9Low64.3Low117 Ų117124 Ų12455%0.54762%0.618SS.*Hα-helixtrans-92.3-39.2172-68.6-170.2172.400110.6R432 M433 D434 K439 V440R432-E436 PolarHBondContact O-N 2.89Å; M433-E436 PolarHBondContact O-N 3.04Å; D434-E436 VanDerWaalsContact C-N 3.26Å; D434-E436 PolarHBondContact O-N 3.12Å; E436-K439 PolarHBondContact O-N 3.14Å; E436-V440 PolarHBondContact O-N 3.46Å
437N61.7Low61.8Low110 Ų110128.4 Ų128.459%0.58864%0.636SS**Hα-helixtrans-60.1-43.3169.2-76.1-34.3000112.5M433 D434 K439 V440 G441M433-N437 WeakPolarHBondContact O-CB 3.43Å; M433-N437 PolarHBondContact O-N 3.47Å; M433-N437 PolarHBondContact O-ND2 2.9Å; D434-N437 PolarHBondContact O-N 3.02Å; N437-K439 PolarHBondContact O-N 2.76Å; N437-V440 PolarHBondContact O-N 3.07Å; N437-V440 VanDerWaalsContact O-N 3.07Å; N437-G441 PolarHBondContact O-N 3.45Å
438E60.1Low59.5Low154 Ų154133.6 Ų133.672%0.7266%0.657SS**Hα-helixtrans-58.1-35174.5-81-163.9132.300112.7D434 V440 G441D434-E438 WeakPolarHBondContact O-CG 3.34Å; D434-E438 PolarHBondContact O-N 3.13Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.29Å; E438-G441 PolarHBondContact O-N 3.49Å
439K58.6Low57.2Low162 Ų162136 Ų13670%0.70468%0.675SS**Hα-helixtrans-73.6-21.1178.1-69.8168.7-169.2156.80113.4K435 E436 N437K435-K439 VanDerWaalsContact O-CD 3.3Å; K435-K439 WeakPolarHBondContact O-CD 2.99Å; K435-K439 VanDerWaalsContact O-CE 3.27Å; K435-K439 WeakPolarHBondContact O-CE 3.26Å; K435-K439 WeakPolarHBondContact O-CG 3Å; E436-K439 PolarHBondContact O-N 3.14Å; N437-K439 PolarHBondContact O-N 2.76Å
440V57.1Low54.8Low119 Ų119138.2 Ų138.272%0.72169%0.69SS**Hα-helixtrans-91-25.5174-178.80000111.1E436 N437 E438 E442E436-V440 PolarHBondContact O-N 3.46Å; N437-V440 PolarHBondContact O-N 3.07Å; N437-V440 VanDerWaalsContact O-N 3.07Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.29Å; V440-E442 PolarHBondContact O-N 3.41Å
441G49.1Very low52.4Low49 Ų49135.5 Ų135.551%0.50570%0.7SS.*G310 helixtrans-68.5-12.7-171.700000117.8N437 E438 K443 S444N437-G441 PolarHBondContact O-N 3.45Å; E438-G441 PolarHBondContact O-N 3.49Å; G441-K443 PolarHBondContact O-N 2.91Å; G441-S444 PolarHBondContact O-N 3.4Å
442E48.3Very low50.3Low191 Ų191138.2 Ų138.289%0.89372%0.72SS**G310 helixtrans-69.78.2-175.2-142.6-167.8-174.800114.7V440V440-E442 PolarHBondContact O-N 3.41Å
443K45.3Very low48.1Very low194 Ų194134.5 Ų134.584%0.84372%0.721SS**G310 helixtrans-130.743.8174.9-76-171178.8174.30115.6G441G441-K443 PolarHBondContact O-N 2.91Å
444S37.7Very low46.3Very low114 Ų114136.4 Ų136.480%0.79773%0.729SS**  trans-164.3117.7143.4-89.70000114.2G441G441-S444 PolarHBondContact O-N 3.4Å
445K42.2Very low44Very low207 Ų207139.2 Ų139.290%0.974%0.744SS**  trans-96.5122.1157.8-74.4-176.7177.4178.60109.2
446T34.1Very low42.1Very low130 Ų130141.2 Ų141.280%0.79876%0.755SS**  trans-176.1144.2144.1-83.50000111.2
447K35.3Very low40.2Very low203 Ų203144.2 Ų144.288%0.88377%0.769SS**  trans75.5143.1172.7-82176.8176.4-174.30119
448Q32.4Very low38.8Very low184 Ų184146 Ų14686%0.8678%0.779SS**  trans-91.2178.2168.6-56.8172.9-64.800107.7
449V30Very low37.6Very low134 Ų134147.1 Ų147.181%0.81278%0.784SS**  -155.3155.353.5173.80000111.2
450N31.4Very low36.3Very low161 Ų161147.3 Ų147.386%0.86179%0.787SS**  trans-67155.4175-61.25.2000113
451G29.5Very low35.2Very low76 Ų76147.5 Ų147.578%0.78478%0.78SS**  trans-176.668.9164.500000114.7
452V33.5Very low34.6Very low141 Ų141152.5 Ų152.586%0.85580%0.795SS**  trans-87104160.11780000107.2
453A31.2Very low34.2Very low73 Ų73151.6 Ų151.660%0.60379%0.791SS**PPolyproline II helixtrans-81143.7144.500000107.1
454Q34.3Very low34Very low158 Ų158147 Ų14774%0.73878%0.776SS**PPolyproline II helixtrans-82.4116.5145.3-74.7172.3-114.300104.1E456Q454-E456 PolarHBondContact NE2-OE1 3.1Å; Q454-E456 PolarHBondContact O-N 3.46Å
455D28.5Very low34.4Very low141 Ų141149.4 Ų149.475%0.75477%0.774SS**PPolyproline II helixtrans-67.2116.8145-63.1-52.8000104.5E457D455-E457 PolarHBondContact O-N 3.16Å
456E35.1Very low34.5Very low147 Ų147141.8 Ų141.869%0.68775%0.747SS**  trans-70110.6150.9-54.7-88138.300102Q454 D458Q454-E456 PolarHBondContact NE2-OE1 3.1Å; Q454-E456 PolarHBondContact O-N 3.46Å; E456-D458 PolarHBondContact O-N 3.24Å
457E29.6Very low35Very low181 Ų181138 Ų13885%0.84673%0.726SS**  trans-63.598.5162.2-72.7173.8164.700104.7D455 E459D455-E457 PolarHBondContact O-N 3.16Å; E457-E459 PolarHBondContact O-N 3.36Å
458D31.2Very low35.8Very low147 Ų147130.7 Ų130.779%0.78670%0.696SS**  trans-57.997.1156.6-81.3-47.4000104.3E456 E460E456-D458 PolarHBondContact O-N 3.24Å; D458-E460 PolarHBondContact O-N 3.34Å
459E35Very low37Very low177 Ų177125.9 Ų125.983%0.82768%0.682SS**  trans-53.894.9150.1-73.2-179.516600104.4E457 E461E457-E459 PolarHBondContact O-N 3.36Å; E459-E461 PolarHBondContact O-N 3.07Å
460E31.9Very low38.6Very low167 Ų167123.5 Ų123.578%0.7866%0.664SS**  trans-50.895.8149.2-61.7-86.6-172.900103.4D458 D462D458-E460 PolarHBondContact O-N 3.34Å; E460-D462 VanDerWaalsContact C-N 3.26Å; E460-D462 PolarHBondContact O-N 2.69Å
461E34.7Very low40.8Very low123 Ų123115.9 Ų115.958%0.57562%0.623SS**  trans-52108.5157.1-78.8-174.4168.100102.4N321 E459 E463N321-E461 PolarHBondContact ND2-OE1 3.23Å; N321-E461 PolarHBondContact ND2-OE2 3.13Å; E459-E461 PolarHBondContact O-N 3.07Å; E461-E463 PolarHBondContact O-N 3.09Å
462D34.6Very low43Very low154 Ų154115.6 Ų115.682%0.82460%0.602SS**  trans-56.789.8168.6-82.1-54.7000105.2E460 D464E460-D462 VanDerWaalsContact C-N 3.26Å; E460-D462 PolarHBondContact O-N 2.69Å; D462-D464 PolarHBondContact O-N 2.87Å
463E41.8Very low45.1Very low171 Ų171114.1 Ų114.180%0.79959%0.589SS**  trans-59.693.7161.1-79-163.615600102.8E461 E465E461-E463 PolarHBondContact O-N 3.09Å; E463-E465 PolarHBondContact O-N 3.22Å
464D39.9Very low47.4Very low98 Ų98113 Ų11352%0.52457%0.571SS.*  trans-70.766.2-177.2-172.47.4000107.6R269 D462 S466R269-D464 IonicContact CZ-OD2 3.3Å; R269-D464 IonicContact NH1-OD2 2.86Å; R269-D464 PolarHBondContact NH1-OD2 2.72Å; R269-D464 IonicContact NH2-OD1 2.89Å; R269-D464 IonicContact NH2-OD2 2.61Å; R269-D464 PolarHBondContact NH2-OD2 2.83Å; D462-D464 PolarHBondContact O-N 2.87Å; D464-S466 WeakPolarHBondContact O-CB 3.5Å; D464-S466 PolarHBondContact O-N 2.91Å
465E46.9Very low49.5Very low164 Ų164106.6 Ų106.677%0.76654%0.542SS*.  trans-70.346.1169.4-160.5174.3-130.500108.8E463 S467E463-E465 PolarHBondContact O-N 3.22Å; E465-S467 PolarHBondContact O-N 2.88Å
466S44.5Very low51.8Low48 Ų48105.3 Ų105.334%0.33653%0.531SS..  -47.268.1128.4-166.30000110.3K273 D464 D468K273-S466 PolarHBondContact NZ-O 3.01Å; D464-S466 WeakPolarHBondContact O-CB 3.5Å; D464-S466 PolarHBondContact O-N 2.91Å; S466-D468 PolarHBondContact O-N 3.5Å
467S43.3Very low53.6Low49 Ų49100.2 Ų100.234%0.34351%0.514SS..  -50.872.2126.2-79.70000108.9E465 P469 E472E465-S467 PolarHBondContact O-N 2.88Å; S467-P469 WeakPolarHBondContact O-CD 3.28Å; S467-P469 VanDerWaalsContact O-N 3.08Å; S467-E472 WeakPolarHBondContact CA-OE1 3.48Å; S467-E472 WeakPolarHBondContact CB-OE1 3.37Å; S467-E472 WeakPolarHBondContact CB-OE2 3.46Å; S467-E472 VanDerWaalsContact OG-CD 3.24Å; S467-E472 PolarHBondContact OG-OE1 3.49Å; S467-E472 PolarHBondContact OG-OE2 2.85Å
468D51.7Low55.7Low50 Ų5092.2 Ų92.227%0.26748%0.478SS..  trans-60.896.9160.3-175.1-3.8000105.5K270 S466 D470 I471K270-D468 VanDerWaalsContact CE-CG 3.47Å; K270-D468 WeakPolarHBondContact CE-OD2 3.37Å; K270-D468 IonicContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.05Å; K270-D468 PolarHBondContact NZ-OD2 3.36Å; S466-D468 PolarHBondContact O-N 3.5Å; D468-D470 PolarHBondContact O-N 3.41Å; D468-I471 WeakPolarHBondContact O-CG2 3.4Å; D468-I471 PolarHBondContact O-N 2.87Å
469P57.6Low57.5Low84 Ų8489.1 Ų89.155%0.54547%0.465SS..Hα-helixtrans-61.8-27.4-154.924.4-34.1000112.1S467 I471 E472 D473S467-P469 WeakPolarHBondContact O-CD 3.28Å; S467-P469 VanDerWaalsContact O-N 3.08Å; P469-I471 VanDerWaalsContact C-N 3.26Å; P469-I471 PolarHBondContact O-N 3.24Å; P469-E472 CarbonylContact O-C 3.59Å; P469-E472 WeakPolarHBondContact O-CA 3.42Å; P469-E472 PolarHBondContact O-N 3.4Å; P469-D473 PolarHBondContact O-N 3.32Å
470D64.9Low58.9Low84 Ų8487 Ų8745%0.44946%0.455SS..Hα-helixtrans-45-39.1170.1-172.469.1000114.4K270 D468 E474K270-D470 IonicContact NZ-OD2 3.91Å; K270-D470 PolarHBondContact NZ-OD2 3.42Å; D468-D470 PolarHBondContact O-N 3.41Å; D470-E474 WeakPolarHBondContact O-CG 3.47Å; D470-E474 PolarHBondContact O-N 3.27Å
471I76.9Confident60Low0 Ų086.7 Ų86.70%045%0.453CS..Hα-helixtrans-81.3-27.2177.9-162.854.1000113.3Y237 K270 K273 I274 D468 P469 E474 I475Y237-I471 HydrophobicContact CE2-CD1 3.98Å; K270-I471 HydrophobicContact CB-CB 4.48Å; K270-I471 HydrophobicContact CB-CD1 3.94Å; K270-I471 HydrophobicContact CB-CG1 3.93Å; K270-I471 HydrophobicContact CD-CB 4.04Å; K270-I471 HydrophobicContact CD-CD1 4.22Å; K270-I471 HydrophobicContact CD-CG1 4.3Å; K270-I471 HydrophobicContact CG-CB 3.98Å; K270-I471 HydrophobicContact CG-CD1 4.26Å; K270-I471 HydrophobicContact CG-CG1 3.99Å; K270-I471 HydrophobicContact CG-CG2 4.47Å; K273-I471 HydrophobicContact CD-CG2 3.72Å; I274-I471 HydrophobicContact CD1-CD1 3.99Å; I274-I471 HydrophobicContact CG1-CD1 4.07Å; D468-I471 WeakPolarHBondContact O-CG2 3.4Å; D468-I471 PolarHBondContact O-N 2.87Å; P469-I471 VanDerWaalsContact C-N 3.26Å; P469-I471 PolarHBondContact O-N 3.24Å; I471-E474 HydrophobicContact CD1-CB 4.34Å; I471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; I471-I475 HydrophobicContact CG1-CD1 4.33Å; I471-I475 WeakPolarHBondContact O-CB 3.38Å; I471-I475 WeakPolarHBondContact O-CD1 3.22Å; I471-I475 VanDerWaalsContact O-CG1 3.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.42Å; I471-I475 PolarHBondContact O-N 3.33Å; I471-I475 VanDerWaalsContact O-N 3.09Å
472E76.8Confident60.8Low70 Ų7085.1 Ų85.133%0.32745%0.446SS..Hα-helixtrans-76.5-37.8174.6-81.5143.6-136.100110.2K273 S467 P469 I475 E476K273-E472 IonicContact NZ-OE1 3.32Å; K273-E472 PolarHBondContact NZ-OE1 3.33Å; S467-E472 WeakPolarHBondContact CA-OE1 3.48Å; S467-E472 WeakPolarHBondContact CB-OE1 3.37Å; S467-E472 WeakPolarHBondContact CB-OE2 3.46Å; S467-E472 VanDerWaalsContact OG-CD 3.24Å; S467-E472 PolarHBondContact OG-OE1 3.49Å; S467-E472 PolarHBondContact OG-OE2 2.85Å; P469-E472 CarbonylContact O-C 3.59Å; P469-E472 WeakPolarHBondContact O-CA 3.42Å; P469-E472 PolarHBondContact O-N 3.4Å; E472-I475 PolarHBondContact O-N 3.28Å; E472-E476 WeakPolarHBondContact O-CB 3.44Å; E472-E476 WeakPolarHBondContact O-CG 3.24Å; E472-E476 PolarHBondContact O-N 3.46Å
473D77.1Confident61.3Low110 Ų11081.4 Ų81.459%0.58844%0.444SS*.Hα-helixtrans-59.7-44167.4-76.4-33.5000112P469 I475 E476 A477P469-D473 PolarHBondContact O-N 3.32Å; D473-I475 PolarHBondContact O-N 3.29Å; D473-E476 PolarHBondContact O-N 3.06Å; D473-A477 VanDerWaalsContact O-CB 3.22Å; D473-A477 WeakPolarHBondContact O-CB 3.17Å; D473-A477 PolarHBondContact O-N 3.09Å
474E78.6Confident61.6Low51 Ų5177.3 Ų77.324%0.23844%0.439CS..Hα-helixtrans-62.2-39173.8-80.8-167154.600112.7Y237 D470 I471 S478Y237-E474 PolarHBondContact OH-OE2 3.22Å; D470-E474 WeakPolarHBondContact O-CG 3.47Å; D470-E474 PolarHBondContact O-N 3.27Å; I471-E474 HydrophobicContact CD1-CB 4.34Å; I471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; E474-S478 PolarHBondContact O-N 3.2Å
475I79.1Confident62Low22 Ų2281.9 Ų81.911%0.11346%0.458CS..Hα-helixtrans-72.4-39.3178.2-72168.2000111L230 K277 I471 E472 D473 S478 T479L230-I475 HydrophobicContact CD2-CG1 4.49Å; K277-I475 HydrophobicContact CD-CG2 3.95Å; K277-I475 HydrophobicContact CG-CG2 4.01Å; I471-I475 HydrophobicContact CG1-CD1 4.33Å; I471-I475 WeakPolarHBondContact O-CB 3.38Å; I471-I475 WeakPolarHBondContact O-CD1 3.22Å; I471-I475 VanDerWaalsContact O-CG1 3.23Å; I471-I475 WeakPolarHBondContact O-CG1 3.42Å; I471-I475 PolarHBondContact O-N 3.33Å; I471-I475 VanDerWaalsContact O-N 3.09Å; E472-I475 PolarHBondContact O-N 3.28Å; D473-I475 PolarHBondContact O-N 3.29Å; I475-S478 WeakPolarHBondContact O-CB 3.46Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 2.93Å; I475-T479 PolarHBondContact O-OG1 3.11Å
476E76.3Confident61.8Low115 Ų11581.2 Ų81.254%0.53746%0.459SS..Hα-helixtrans-68.4-41.2174.2-76.9-148.7-175.300112.2E472 D473 S478 T479 Q480E472-E476 WeakPolarHBondContact O-CB 3.44Å; E472-E476 WeakPolarHBondContact O-CG 3.24Å; E472-E476 PolarHBondContact O-N 3.46Å; D473-E476 PolarHBondContact O-N 3.06Å; E476-S478 PolarHBondContact O-N 3.03Å; E476-T479 CarbonylContact O-C 3.59Å; E476-T479 WeakPolarHBondContact O-CA 3.45Å; E476-T479 VanDerWaalsContact O-CB 3.28Å; E476-T479 WeakPolarHBondContact O-CB 3.27Å; E476-T479 PolarHBondContact O-N 3.3Å; E476-Q480 WeakPolarHBondContact O-CG 3.18Å; E476-Q480 PolarHBondContact O-N 3.12Å; E476-Q480 PolarHBondContact OE2-NE2 3.4Å
477A73.1Confident62.2Low39 Ų3986.3 Ų86.332%0.32248%0.482SS..Hα-helixtrans-56.1-37.6174.600000111.9D473 T479 Q480 Q481D473-A477 VanDerWaalsContact O-CB 3.22Å; D473-A477 WeakPolarHBondContact O-CB 3.17Å; D473-A477 PolarHBondContact O-N 3.09Å; A477-T479 PolarHBondContact O-N 2.95Å; A477-T479 VanDerWaalsContact O-N 3.17Å; A477-Q480 PolarHBondContact O-N 3.36Å; A477-Q481 PolarHBondContact O-N 3.42Å
478S73.9Confident62.4Low13 Ų1390.8 Ų90.89%0.09150%0.503CS..Hα-helixtrans-62-19.5173.785.90000114.1Q226 E474 I475 E476Q226-S478 PolarHBondContact NE2-OG 2.82Å; E474-S478 PolarHBondContact O-N 3.2Å; I475-S478 WeakPolarHBondContact O-CB 3.46Å; I475-S478 PolarHBondContact O-N 3.47Å; I475-S478 PolarHBondContact O-OG 2.93Å; E476-S478 PolarHBondContact O-N 3.03Å
479T69.9Low62Low82 Ų8295 Ų9550%0.50353%0.525SS..Hα-helixtrans-95.4-39.2176.2-49.50000111.3Q226 I475 E476 A477 Q481Q226-T479 PolarHBondContact NE2-OG1 3.44Å; I475-T479 PolarHBondContact O-OG1 3.11Å; E476-T479 CarbonylContact O-C 3.59Å; E476-T479 WeakPolarHBondContact O-CA 3.45Å; E476-T479 VanDerWaalsContact O-CB 3.28Å; E476-T479 WeakPolarHBondContact O-CB 3.27Å; E476-T479 PolarHBondContact O-N 3.3Å; A477-T479 PolarHBondContact O-N 2.95Å; A477-T479 VanDerWaalsContact O-N 3.17Å; T479-Q481 PolarHBondContact O-N 2.81Å
480Q62.8Low61.5Low134 Ų13497.2 Ų97.263%0.62653%0.532SS*.Hα-helixtrans-71.6-26.9-175.9-65.4-176.331.800113.5E476 A477 H482 G483E476-Q480 WeakPolarHBondContact O-CG 3.18Å; E476-Q480 PolarHBondContact O-N 3.12Å; E476-Q480 PolarHBondContact OE2-NE2 3.4Å; A477-Q480 PolarHBondContact O-N 3.36Å; Q480-H482 PolarHBondContact O-N 3.08Å; Q480-G483 PolarHBondContact O-N 2.97Å; Q480-G483 VanDerWaalsContact O-N 3.12Å
481Q56.7Low60.6Low159 Ų159102.5 Ų102.574%0.74356%0.555SS**THydrogen-bonded Turntrans-64.29.6174.3-75.4-169-0.800115.6A477 T479A477-Q481 PolarHBondContact O-N 3.42Å; T479-Q481 PolarHBondContact O-N 2.81Å
482H51.3Low58.9Low91 Ų91110.8 Ų110.842%0.42159%0.593SS.*THydrogen-bonded Turntrans-122.711.4172.9-151.759.4000114.5A222 Q480A222-H482 WeakPolarHBondContact CB-CD2 3.49Å; A222-H482 WeakPolarHBondContact CB-NE2 3.42Å; Q480-H482 PolarHBondContact O-N 3.08Å
483G45.3Very low57.3Low75 Ų75115.4 Ų115.477%0.77362%0.62SS**SBendtrans-87.4-20.5-175.900000116.5Q480Q480-G483 PolarHBondContact O-N 2.97Å; Q480-G483 VanDerWaalsContact O-N 3.12Å
484A47.1Very low55.2Low86 Ų86117.3 Ų117.371%0.71163%0.63SS**SBendtrans-131.9136.7-17000000113.2
485E49.2Very low53.5Low194 Ų194122.9 Ų122.991%0.90766%0.662SS**  trans40.190.2148.1-67.8167.9-150.900117.8
486D42.3Very low51.5Low149 Ų149127.9 Ų127.980%0.79769%0.689SS**  trans-147.393.2145.8-155.715.8000105.7
487D53Low49.6Very low155 Ų155130.3 Ų130.383%0.82970%0.7SS**  trans-150.954.9-168.5-160.237.8000109.6
488D46Very low47.9Very low143 Ų143132.9 Ų132.977%0.76572%0.722SS**  trans-145.8147.1171.2-133.6-8.4000111.8
489D43.8Very low46.2Very low140 Ų140140 Ų14075%0.74976%0.759SS**  trans33.394.2168.1-71.8-25000122
490N48.3Very low44.6Very low129 Ų129145 Ų14569%0.6978%0.776SS**  34.2104.8105.2-173.898.1000118.8
491E44.8Very low43.6Very low196 Ų196142.5 Ų142.592%0.91678%0.779SS**  trans-122.9155.9143.2-80.8-157.6175.300110.5
492E41.1Very low42.6Very low174 Ų174142 Ų14281%0.81379%0.786SS**  trans-91.2156.7-151.2-56.5179.7131.600115.1N494E492-N494 PolarHBondContact O-N 3.36Å
493D42.9Very low42Very low167 Ų167145 Ų14589%0.89381%0.805SS**  trans-61.8127.8166-73.7-52.3000111
494N34.6Very low41.5Very low150 Ų150148.4 Ų148.480%0.80281%0.806SS**  trans-151.566.1159.5-162.814.9000112.6E492 N496E492-N494 PolarHBondContact O-N 3.36Å; N494-N496 PolarHBondContact O-N 3.26Å
495D42.2Very low40.9Very low168 Ų168149 Ų14990%0.89881%0.811SS**  trans-71.1100.9161.1-90.3-30.5000109.4
496N36.6Very low40.4Very low126 Ų126146 Ų14667%0.67480%0.801SS**  trans-155.3171.5154.4-150.844.2000114.2N494N494-N496 PolarHBondContact O-N 3.26Å
497E36.2Very low40.1Very low166 Ų166143.9 Ų143.978%0.77679%0.789SS**  trans80.3117.2-179.3-52-50.1145.500115.8
498A38.6Very low39.5Very low94 Ų94143.5 Ų143.578%0.77778%0.78SS**  trans-107.5-172.7-179.500000110.8
499D37.3Very low38.9Very low163 Ų163143.5 Ų143.587%0.87278%0.776SS**  trans-57.5136.8170.7-59.3-78.3000112.6
500E36.3Very low38.4Very low186 Ų186142.7 Ų142.787%0.86977%0.771SS**  trans-151.6157.2139.1-105.9-57.3172.700109.5
501A41.5Very low37.8Very low82 Ų82143.9 Ų143.968%0.67877%0.773SS**  trans-112155.7-164.300000114.5
502V36.3Very low37.1Very low149 Ų149139.8 Ų139.890%0.90376%0.761SS**  trans-141.3131.7158.2-1690000109.6
503D37.9Very low36.7Very low152 Ų152138.9 Ų138.981%0.81376%0.761SS**  trans-90.4154.7179-91.6-47.7000114.1
504D35.4Very low36.1Very low147 Ų147138 Ų13879%0.78676%0.756SS**  trans34.7123140.1-158.10.5000122
505A34.8Very low36Very low99 Ų99139.2 Ų139.282%0.81876%0.757SS**  trans-167.679148.800000114.9
506D38Very low35.5Very low130 Ų130138.1 Ų138.170%0.69576%0.757SS**  40.2140.4129.7-160.128.2000125.6
507N37.5Very low35Very low105 Ų105135.6 Ų135.656%0.56176%0.761SS**  trans83.4129.6142.2-104.4-40.9000126.2
508K39.2Very low34.6Very low147 Ų147133.5 Ų133.564%0.63977%0.765SS**  trans66.4157144.3-73.4155.9175.7-75.20120.5
509E34.2Very low34.3Very low144 Ų144134.8 Ų134.867%0.67376%0.763SS**  cis-153.3131.5-14.7-120.2152.7-166.800106
510D32.9Very low34.2Very low122 Ų122134.8 Ų134.865%0.65276%0.755SS**  76.3145.194.1-16633.6000116.7
511Q35.9Very low33.9Very low154 Ų154130.7 Ų130.772%0.7274%0.739SS**  trans65.6149.6173.5-67.9162.464.600117.2
512T29.9Very low33.6Very low110 Ų110135.5 Ų135.568%0.67575%0.748SS**  cis-163.6141.6-6.918.50000112.7
513L32.2Very low33.6Very low156 Ų156135.8 Ų135.882%0.81774%0.744SS**  trans51.6175.1134.6-65.7176.1000123.1
514D31Very low33.3Very low147 Ų147134.4 Ų134.479%0.78674%0.737SS**  trans65.5107.6175.7-55.1-12.7000114.9
515E33Very low33.3Very low176 Ų176131.4 Ų131.482%0.82273%0.727SS**  cis63.896.141.7-159.4-175152.900114.3
516T30.2Very low33.2Very low145 Ų145132.5 Ų132.589%0.8972%0.724SS**  -170.3151.6128.714.80000109.9
517G27.7Very low33Very low73 Ų73131.5 Ų131.575%0.75373%0.727SS**  trans-124.6148.6165.400000110.2
518S28Very low32.7Very low123 Ų123134 Ų13486%0.8674%0.74SS**  trans-150.8152.8161.1-153.50000110.6
519T31.7Very low32.6Very low121 Ų121133.6 Ų133.674%0.74274%0.741SS**  trans-100.4-172.9176.847.80000110.3
520K33.7Very low32.6Very low162 Ų162133.9 Ų133.970%0.70475%0.752SS**  trans87145.3165.5-54.6-161.7140.1-65.80117
521D31.2Very low32.8Very low101 Ų101135 Ų13554%0.5475%0.754SS.*  cis-161.6157.2-19.3-83.1-29000106.7
522E36Very low32.6Very low183 Ų183135.7 Ų135.786%0.85576%0.761SS**  trans47.9148.1143.4-69168.5-167.500121.8
523D34.5Very low32.9Very low155 Ų155135.7 Ų135.783%0.82977%0.765SS**  cis-143.3-130-14.5-16823.8000107.6
524D32.7Very low33.9Very low123 Ų123133.6 Ų133.666%0.65876%0.761SS**  cis-159.3154.9-4.1153.249.9000108.2
525S35.1Very low33.8Very low83 Ų83135.7 Ų135.758%0.5877%0.768SS**  trans68.6145.2155.7-87.50000122.6
526T31.9Very low33.9Very low122 Ų122131.7 Ų131.775%0.74876%0.76SS**  cis-163.4141.3-27.35.70000110.3
527S34.8Very low33.8Very low109 Ų109131.8 Ų131.876%0.76276%0.755SS**  trans37124.2138.5-158.70000122.6
528D31.8Very low34.2Very low157 Ų157136.1 Ų136.184%0.8476%0.759SS**  -162.5161.396.4-148.5-5.7000112.8
529E36.8Very low34.4Very low140 Ų140141.7 Ų141.765%0.65476%0.761SS**  trans-102.7154.5178.7-84.7-148.2127.200113.7
530T33.2Very low34.5Very low149 Ų149141.4 Ų141.491%0.91476%0.764SS**  -156.6147.5126.8-8.70000112.5
531Q38.2Very low35.3Very low147 Ų147139.5 Ų139.569%0.68777%0.769SS**  trans-96.2164.2-175.6-55.7175.310.200112.4
532I30.7Very low35.6Very low168 Ų168145 Ų14586%0.86278%0.782SS**  trans173.8138.2132.3-86.7150.3000109.2
533S36.7Very low35.4Very low109 Ų109143.4 Ų143.476%0.76278%0.779SS**  trans-128.2-177175.6-56.50000109.9
534P54.1Low35.5Very low112 Ų112141 Ų14173%0.72777%0.774SS**  -122.3171.3-66.438.1-25.8000111.5
535M28.2Very low36.4Very low191 Ų191140.4 Ų140.494%0.94178%0.777SS**  trans-146.8149.3163.8-87-60145.700112.5
536S34Very low36.3Very low93 Ų93140.8 Ų140.865%0.6578%0.78SS**  trans-93.2166.717151.80000111.8
537D29.8Very low36.3Very low146 Ų146142.9 Ų142.978%0.78178%0.781SS**  176.2144.9111.4-89.5-1.8000113.7
538I35.2Very low36.3Very low165 Ų165142 Ų14285%0.84678%0.775SS**  trans-89.5144.2172.8-64.6167.3000108.6
539R31.7Very low36.3Very low239 Ų239143.3 Ų143.390%0.90278%0.776SS**  trans-110.9124.5177.5-74.9-175.3175.2177.20.3112.7
540S34.7Very low36Very low115 Ų115141.1 Ų141.180%0.80478%0.776SS**  trans-130133.1159.7-64.10000110.3
541P49.8Very low36Very low123 Ų123141.2 Ų141.280%0.79977%0.768SS**  trans-104.9168.5162.137.6-30000111.6
542R37.1Very low35.7Very low217 Ų217141.8 Ų141.882%0.81977%0.771SS**  cis175.7127.7-28.1177.3-170.9-172.2-1703.2107.1
543D33Very low35.6Very low148 Ų148139.3 Ų139.379%0.79176%0.764SS**  trans-177.3-179.3132.5-96.9-19.5000112.3
544S35.6Very low35.3Very low104 Ų104141 Ų14173%0.72777%0.765SS**  trans-154.3-158.4-156.8-46.20000110
545P52Low34.1Very low112 Ų112142.9 Ų142.973%0.72776%0.763SS**  cis-138.2-171.5-16.738.5-19000115.6
546S32.5Very low34.2Very low91 Ų91140.1 Ų140.164%0.63675%0.748SS**  trans80.8147.9152.6-61.70000119.7
547Q33Very low34.1Very low165 Ų165142.5 Ų142.577%0.77175%0.749SS**  cis-163.3166.4-5.1-119.5167.471.700113.4
548S34.8Very low34.7Very low90 Ų90141 Ų14163%0.62975%0.747SS**  trans60.5117.7154.251.50000120.3
549E30.9Very low34.5Very low185 Ų185137 Ų13786%0.86473%0.734SS**  79.3150.883.9-72.6178.3135.900115.8
550S31.9Very low34.4Very low95 Ų95131.6 Ų131.666%0.66473%0.728SS**  cis-172167.2-24.764.60000112.6
551M31.9Very low34.3Very low151 Ų151132.5 Ų132.574%0.74472%0.723SS**  trans72137.3150.2-64.6-111.481.600124.5
552Q32.7Very low33.3Very low159 Ų159129.9 Ų129.974%0.74372%0.719SS**  trans66.5169.1141.8-72.2-179.2-29.700121.8
553T27.7Very low33.1Very low116 Ų116123.9 Ų123.971%0.71271%0.71SS**  -173.2145-68.435.60000111.3
554D31.1Very low34.1Very low145 Ų145122.5 Ų122.578%0.77571%0.709SS**  trans88.3152.5146.8-118.7-31.2000125
555E28.1Very low33.8Very low150 Ų150121.8 Ų121.870%0.70171%0.709SS**  trans57.5153.3156.6-63.9-141.711700123.8
556Q30.1Very low32.7Very low133 Ų133120.5 Ų120.562%0.62171%0.709SS**  cis-171.1142.5-41.4-122.9-166.587.300112.2
557Q32.1Very low32.5Very low144 Ų144122.4 Ų122.467%0.67371%0.711SS**  trans57.7177.7149.9-83.9-156.5-2.100120.6
558P42.9Very low32.3Very low115 Ų115122.3 Ų122.375%0.74771%0.71SS**  cis-117.9163-5.742.8-29.9000113.6
559S30.9Very low32.1Very low80 Ų80126.3 Ų126.356%0.55972%0.719SS**  cis80.3136.924.2-480000114.5
560T30.2Very low31.9Very low126 Ų126122.5 Ų122.577%0.77371%0.713SS**  cis-120.6-163-755.20000108.3
561N30.9Very low31.7Very low133 Ų133126.8 Ų126.871%0.71172%0.723SS**  cis-158.3-173.79-142.4-17.8000106.7S563N561-S563 PolarHBondContact ND2-OG 2.75Å; N561-S563 PolarHBondContact OD1-OG 2.97Å
562G28.8Very low31.3Very low68 Ų68126.5 Ų126.570%0.70172%0.724SS**  cis173.2-178.72.900000111.1
563S33.8Very low31.6Very low92 Ų92125.9 Ų125.964%0.64373%0.725SS**  cis-168.8178.9-3.8-119.50000109.2N561N561-S563 PolarHBondContact ND2-OG 2.75Å; N561-S563 PolarHBondContact OD1-OG 2.97Å
564P54.3Low31.6Very low118 Ų118126.2 Ų126.277%0.76673%0.732SS**  trans-106.6-158.4-140.541.7-32.4000114
565A29.7Very low31.7Very low89 Ų89125.5 Ų125.574%0.73673%0.728SS**  cis-159.3-179.726.100000111.3
566A27.4Very low31.8Very low86 Ų86128 Ų12871%0.71174%0.74SS**  cis-146.7159.113.500000109.2
567L29Very low31.7Very low131 Ų131126.1 Ų126.169%0.68675%0.747SS**  cis64.9131.342.7-60.4176000112.9
568Q29.8Very low31.5Very low162 Ų162125.6 Ų125.676%0.75776%0.759SS**  cis-135.1162.5-3.8-84.8125-51.600108.3
569Q29.9Very low30.8Very low175 Ų175123.3 Ų123.382%0.81876%0.757SS**  cis89.8109.729.1-153.7179.424.600115.6
570S26.4Very low30.8Very low104 Ų104126.4 Ų126.473%0.72777%0.772SS**  trans-172.1136.6163.8160000105.7
571E27.6Very low31.6Very low186 Ų186125.7 Ų125.787%0.86977%0.769SS**  66.3126.757.8-66.9-178.5-164.400112.3
572D23.8Very low31.4Very low145 Ų145125.2 Ų125.278%0.77577%0.771SS**  cis-152.6-176.50.2-165.412.9000111.5
573L39.8Very low31.4Very low146 Ų146127.1 Ų127.176%0.76477%0.769SS**  trans-54.3156.2-175.9-68.3159.8000116.5
574S26.6Very low31.1Very low123 Ų123130 Ų13086%0.8678%0.777SS**  trans-144.8123.9161.1-172.10000112.1
575N33.8Very low29.8Very low130 Ų130131.2 Ų131.270%0.69578%0.778SS**  trans-118.8145.8173.4-76-63.9000109.4
576Q29.2Very low31.3Very low203 Ų203131.4 Ų131.495%0.94977%0.771SS**  171.6173.6123-95.9168.4103.300113.4
577A27.8Very low31.4Very low93 Ų93133.9 Ų133.977%0.76978%0.778SS**  trans-127172.2-175.700000112.4
578S29.8Very low31.4Very low132 Ų132132.4 Ų132.492%0.92379%0.785SS**  trans73.1148.2165.2-157.50000117.7
579G27.4Very low31.2Very low68 Ų68132.7 Ų132.770%0.70179%0.79SS**  trans179.750.7-171.400000120.4
580V30.6Very low32.1Very low145 Ų145129.4 Ų129.488%0.87978%0.784SS**  trans74.1148.5144.6171.50000119.4
581P47.5Very low32.3Very low110 Ų110129.4 Ų129.471%0.71478%0.784SS**  trans-119.8-155.7-159.439.4-20.2000114.7
582V27Very low32.4Very low124 Ų124125.9 Ų125.975%0.75278%0.78SS**  -164.2165.986.1157.60000111.8
583T29.1Very low33.5Very low108 Ų108124.5 Ų124.566%0.66378%0.779SS**  trans-52.4-178.6-176.657.90000117.3
584D27.5Very low33.4Very low152 Ų152122.3 Ų122.381%0.81378%0.782SS**  cis-155.2-172.530-106.3-56000113.9
585D26.4Very low34Very low144 Ų144121.1 Ų121.177%0.7778%0.779SS**  trans-84.8-146.7-177.6-168.739.2000114.3
586P60Low34.2Very low92 Ų92119.1 Ų119.160%0.59778%0.781SS**  -100167-104.137.4-29.2000118
587T29.7Very low34.4Very low138 Ų138115.9 Ų115.985%0.84778%0.775SS**  trans34.9111.1145.8-51.70000120.7
588A30.1Very low34.9Very low101 Ų101116.7 Ų116.784%0.83577%0.77SS**  trans168.1170.2134.900000116
589L26Very low35.2Very low167 Ų167117.1 Ų117.187%0.87476%0.762SS**  trans-72.8-176.6171.7-65.9163.9000113.1
590P48.6Very low35.4Very low107 Ų107116.9 Ų116.970%0.69576%0.76SS**  cis-142.21733.439.9-19.2000119.4
591S30.6Very low35.5Very low104 Ų104116.9 Ų116.973%0.72776%0.755SS**  trans67.6117138.2-73.50000126.4
592S28Very low35.8Very low112 Ų112117.4 Ų117.478%0.78376%0.758SS**  74.9163.6123.8-56.60000120.8
593P48.2Very low36.2Very low115 Ų115116.5 Ų116.575%0.74776%0.758SS**  cis-127.9170.6-4.741.9-27.5000116.2
594A36.6Very low37.2Very low100 Ų100116.6 Ų116.683%0.82676%0.76SS**  trans32143.8138.300000121.5
595A40.3Very low37.7Very low98 Ų98116.7 Ų116.781%0.8176%0.756SS**  cis-156178.312.300000109.2
596A37.6Very low38.5Very low89 Ų89116.6 Ų116.674%0.73675%0.751SS**  cis-141.3-144.2400000108.4
597V32.9Very low37.1Very low134 Ų134118 Ų11881%0.81275%0.753SS**  cis-127.3-118.39.9-162.40000109.6
598T39.5Very low37.5Very low110 Ų110117 Ų11768%0.67575%0.747SS**  trans-153.5145.1-177.1540000108.5
599N35Very low37.5Very low141 Ų141118.6 Ų118.675%0.75475%0.746SS**  cis-116.4-167.76.1-63.5-86.2000108.7
600G32.2Very low38.3Very low63 Ų63116.3 Ų116.365%0.64974%0.739SS**  cis75.2172.815.700000113.1
601N32Very low37.8Very low146 Ų146118.2 Ų118.278%0.78175%0.749SS**  cis-165.8161.6-6.6-119.91.3000108.8
602P55.4Low38.1Very low120 Ų120119.6 Ų119.678%0.77974%0.744SS**  cis-121.5-175-1.537.1-19.7000114.6
603S33.8Very low38.5Very low106 Ų106122 Ų12274%0.74174%0.742SS**  trans-82.6-174.8-176.7-118.70000113.5
604P51Low37.8Very low109 Ų109120.9 Ų120.971%0.70874%0.737SS**  cis-136.115821.641.1-22.3000119.8
605E38.3Very low37.4Very low154 Ų154122.8 Ų122.872%0.7273%0.734SS**  trans33.8141.4135.6-56.8-161.2105.600121.4
606Q41.9Very low37Very low143 Ų143124.2 Ų124.267%0.66873%0.732SS**  cis-163.3172.37.9-125.8-174.55400108
607N31.5Very low37Very low122 Ų122128.8 Ų128.865%0.65274%0.739SS**  cis-146.2-156.5-1.8-156-22.1000109.4
608T38.1Very low36.9Very low117 Ų117129.3 Ų129.372%0.71874%0.742SS**  trans-140.8170.5-162.961.40000115.7
609V29.8Very low36.7Very low133 Ų133130.3 Ų130.381%0.80675%0.748SS**  -175.6120.6118.21520000110.2
610T42.9Very low36.4Very low119 Ų119131.6 Ų131.673%0.7376%0.755SS**  trans-157.2155.5161.9400000110.2
611V38.4Very low36.2Very low148 Ų148131.1 Ų131.190%0.89775%0.75SS**  trans-144.6147.4173.1-173.90000108.6
612E35.9Very low36.1Very low133 Ų133131 Ų13162%0.62176%0.755SS**  trans-151.6177.4-162.2-49.6176.47.700113.9
613Q38.1Very low34.9Very low161 Ų161130.4 Ų130.475%0.75275%0.753SS**  trans75.2155153.4-70.8166.353.500117.9
614S33Very low35.7Very low92 Ų92130.8 Ų130.864%0.64375%0.754SS**  cis-152.3-176.3-2.4-109.90000109
615D28.6Very low34.9Very low141 Ų141132 Ų13275%0.75476%0.759SS**  cis-165.4-156.841.7-143.5-52.9000114.4
616T31.1Very low35.1Very low127 Ų127130.6 Ų130.678%0.77976%0.763SS**  trans-128.6-175.4-142.656.50000120.3
617Q37.6Very low34.6Very low186 Ų186129.2 Ų129.287%0.86977%0.769SS**  trans-112.2162.1-171-57.3175.4-4.400115.2
618T31.4Very low35Very low144 Ų144129 Ų12988%0.88378%0.775SS**  trans-148.3-179164.145.90000115.2
619T35.7Very low34.4Very low131 Ų131134 Ų13480%0.80478%0.78SS**  trans-140175.1-143.858.80000119.4
620N27.6Very low34.2Very low169 Ų169133.2 Ų133.290%0.90478%0.776SS**  trans-161.7-179.9167-119.3-106.7000112.1
621G28.6Very low33.6Very low53 Ų53133.5 Ų133.555%0.54678%0.778SS.*  cis-170.2-17.96.300000120.4
622T28.7Very low33.1Very low143 Ų143137.2 Ų137.288%0.87778%0.776SS**  trans80.9174.3164.3-45.40000120
623S31.2Very low32.8Very low107 Ų107135.6 Ų135.675%0.74878%0.779SS**  trans-151.5-175.8-176-48.70000110.9
624P49.7Very low32.6Very low115 Ų115135 Ų13575%0.74778%0.776SS**  cis-139.6179.6-4.444.4-25.6000117.8
625V34.9Very low32.5Very low135 Ų135137.2 Ų137.282%0.81877%0.774SS**  trans37.6126143.6174.40000120.8
626P42.1Very low33Very low123 Ų123141 Ų14180%0.79978%0.778SS**  -154.6-174.572.241.8-20.3000118.9
627S31Very low33Very low114 Ų114143.9 Ų143.980%0.79778%0.78SS**  trans-116.7160.6174.9-40.80000112.4
628P39.5Very low32.6Very low119 Ų119141.8 Ų141.877%0.77376%0.763SS**  -162.4166.694.541.7-21.4000120.4
629R25.5Very low32.6Very low220 Ų220140.9 Ų140.983%0.8375%0.749SS**  trans65114.9144-85.3-166.7170.8-174.6-1.2124.9
630T27.3Very low32.2Very low117 Ų117141.9 Ų141.972%0.71875%0.745SS**  trans65.7138.1130.563.10000121.2
631T29.3Very low32.3Very low125 Ų125141 Ų14177%0.76774%0.737SS**  -172.6148.566.635.80000115
632R27.9Very low32.3Very low227 Ų227145.9 Ų145.986%0.85775%0.748SS**  53.2144.3129.1-163.8-176.1-166-170.44122.3
633S31Very low32.3Very low98 Ų98144.1 Ų144.169%0.68574%0.741SS**  cis176.7173.1-24.7-80.10000109.7
634Q33.5Very low32.2Very low148 Ų148143.6 Ų143.669%0.69274%0.738SS**  trans109142.3158.9-61.1-177.587.300115.8
635K31Very low31.1Very low139 Ų139146.1 Ų146.160%0.60475%0.745SS**  cis-166135.4-2.9-120.7173.7-179.6155.30113.7
636R38.3Very low31Very low220 Ų220144.9 Ų144.983%0.8374%0.742SS**  trans58.7159144.2-63.8167.5-177.8-179-3.7118.7
637K30.4Very low30.6Very low189 Ų189150.4 Ų150.482%0.82275%0.747SS**  cis-85.1-172.8-0-79.517653.6-179.10112.9
638R31.1Very low30.5Very low141 Ų141149.5 Ų149.553%0.53274%0.74SS.*  cis87.5113.210.6-175.4124.9-81.5-91.24121.9E640R638-E640 IonicContact CZ-OE2 3.48Å; R638-E640 IonicContact NH1-OE2 3.33Å; R638-E640 PolarHBondContact NH1-OE2 3.22Å; R638-E640 IonicContact NH2-OE1 3.99Å; R638-E640 IonicContact NH2-OE2 2.73Å; R638-E640 PolarHBondContact NH2-OE2 2.84Å
639E29.4Very low29.9Very low126 Ų126150.9 Ų150.959%0.58975%0.747SS**  cis176.2157.5-27.9-105.2137.1-110.100109.8
640E28.5Very low30.2Very low151 Ų151149.3 Ų149.371%0.70675%0.746SS**  trans71.6147.3158.3-68165.7148.100120R638R638-E640 IonicContact CZ-OE2 3.48Å; R638-E640 IonicContact NH1-OE2 3.33Å; R638-E640 PolarHBondContact NH1-OE2 3.22Å; R638-E640 IonicContact NH2-OE1 3.99Å; R638-E640 IonicContact NH2-OE2 2.73Å; R638-E640 PolarHBondContact NH2-OE2 2.84Å
641M28.6Very low30.5Very low150 Ų150153.3 Ų153.374%0.73976%0.757SS**  cis-160.6156.740.1-142.6-173.3-157.100114
642M29Very low30.5Very low157 Ų157156.3 Ų156.377%0.77376%0.759SS**  trans63.9160.5162-57.3-60.7174.400118.8
643S29.9Very low30.5Very low105 Ų105154.4 Ų154.473%0.73476%0.762SS**  cis-159.5170.5-39.7-165.20000109.7
644S27.7Very low30.4Very low97 Ų97154.8 Ų154.868%0.67877%0.765SS**  trans-58.2138.7-175.855.50000116.4
645N28Very low30.6Very low168 Ų168158.9 Ų158.990%0.89878%0.776SS**  -165.1149.2115.6-107.7-15000113.8
646S31.9Very low30.5Very low109 Ų109159.4 Ų159.476%0.76279%0.785SS**  trans-148.3140.4172.957.20000111.3
647R33.3Very low30.3Very low239 Ų239153.8 Ų153.890%0.90278%0.779SS**  trans-174.4108.3164.5-99.7152.9-169.4-156.42.5106.2
648S29.5Very low30.9Very low94 Ų94153 Ų15366%0.65778%0.784SS**  84112.250.979.10000114.1
649T27Very low31.1Very low149 Ų149150.4 Ų150.491%0.91479%0.793SS**  trans-131.4145.7143.1-67.80000106.7
650K32.8Very low31.6Very low186 Ų186150.3 Ų150.381%0.80980%0.796SS**  trans-113130.6-172.7-59.6175.6-178.3178.40110
651Q31.9Very low32.5Very low202 Ų202148.1 Ų148.194%0.94479%0.788SS**  trans-87.1152.9147.5-79.5179.1-25.900109
652K29.2Very low33Very low187 Ų187145.9 Ų145.981%0.81379%0.785SS**  trans-134.198.1-166.2-178.5-164.9176.1-161.50108.5
653M29.7Very low33.8Very low188 Ų188142.9 Ų142.993%0.92677%0.772SS**  trans-63.6134.4172.5-65.4-65.5-9400109.9
654S27.7Very low34.3Very low106 Ų106144.4 Ų144.474%0.74177%0.772SS**  trans-128120.2169.948.90000108.5
655Y37Very low34.9Very low233 Ų233146.9 Ų146.991%0.91477%0.774SS**  trans-75.8127.7161.3-77.4-103.3000108.4
656D30.1Very low35.1Very low151 Ų151142.3 Ų142.381%0.80777%0.767SS**  trans-164.4161.6137.2-142.5-38.1000110.9
657S34.5Very low35.3Very low101 Ų101141.5 Ų141.571%0.70676%0.757SS**  trans68.9111.5160-570000118.8A659S657-A659 PolarHBondContact O-N 2.56Å
658D41.9Very low35.1Very low173 Ų173137.1 Ų137.193%0.92575%0.75SS**  trans-58.6114.2157.2-72.8-71.7000110
659A36.1Very low35.1Very low86 Ų86137.8 Ų137.871%0.71175%0.753SS**  trans-96.4115.7163.600000108.3S657 I661S657-A659 PolarHBondContact O-N 2.56Å; A659-I661 PolarHBondContact O-N 3.47Å
660D39.9Very low35.2Very low124 Ų124135.7 Ų135.766%0.66374%0.743SS**  trans-66.1102.6172.8-102.7-48.6000109.7R402 P662R402-D660 IonicContact CZ-OD1 3Å; R402-D660 VanDerWaalsContact CZ-OD1 3.25Å; R402-D660 IonicContact NH1-OD1 2.71Å; R402-D660 PolarHBondContact NH1-OD1 3.43Å; R402-D660 IonicContact NH2-OD1 3.65Å; R402-D660 PolarHBondContact NH2-OD1 2.94Å; D660-P662 VanDerWaalsContact O-CD 3.25Å; D660-P662 WeakPolarHBondContact O-CD 3.49Å
661I46.5Very low35Very low105 Ų105130 Ų13054%0.53874%0.737SS.*  trans-64.5117165.9-58.8174.4000106.6A659 L663A659-I661 PolarHBondContact O-N 3.47Å; I661-L663 PolarHBondContact O-N 2.84Å
662P40.1Very low35Very low103 Ų103125.7 Ų125.767%0.66973%0.73SS**  trans-61.5130.8177.8-21.634.1000109.7D660 D664D660-P662 VanDerWaalsContact O-CD 3.25Å; D660-P662 WeakPolarHBondContact O-CD 3.49Å; P662-D664 HydrophobicContact CB-CB 4.09Å; P662-D664 PolarHBondContact O-N 2.83Å; P662-D664 VanDerWaalsContact O-N 3.09Å
663L44.7Very low35.2Very low95 Ų95122.8 Ų122.850%0.49773%0.73SS.*  trans-83.844.7166-69.3167.9000109.7L398 R402 I661L398-L663 HydrophobicContact CD1-CD1 3.31Å; L398-L663 HydrophobicContact CG-CD1 4.12Å; R402-L663 HydrophobicContact CG-CD1 4.16Å; R402-L663 HydrophobicContact CG-CD2 4.17Å; R402-L663 HydrophobicContact CG-CG 4.47Å; I661-L663 PolarHBondContact O-N 2.84Å
664D40.1Very low35.1Very low136 Ų136122.9 Ų122.973%0.72773%0.728SS**  trans-83.6121.2176.6-167.122.6000108.5P662 G666P662-D664 HydrophobicContact CB-CB 4.09Å; P662-D664 PolarHBondContact O-N 2.83Å; P662-D664 VanDerWaalsContact O-N 3.09Å; D664-G666 PolarHBondContact O-N 2.82Å
665M40.3Very low35.1Very low150 Ų150127.2 Ų127.274%0.73973%0.734SS**  trans-69.5120.1170-79.9-67.3-70.400107V667M665-V667 PolarHBondContact O-N 2.93Å
666G33.9Very low34.7Very low71 Ų71125.2 Ų125.273%0.73273%0.733SS**  trans-67.757.2-174.700000115D664 I668D664-G666 PolarHBondContact O-N 2.82Å; G666-I668 PolarHBondContact O-N 3.5Å
667V34.8Very low34.5Very low92 Ų92127.1 Ų127.156%0.55874%0.737SS**  trans-73.4102.9167-176.40000106.5M665 C669M665-V667 PolarHBondContact O-N 2.93Å; V667-C669 PolarHBondContact O-N 2.73Å
668I29.3Very low34.2Very low148 Ų148128.2 Ų128.276%0.75974%0.744SS**  trans-74.675.6-177.6-49.6-178.4000109.4G666 C670G666-I668 PolarHBondContact O-N 3.5Å; I668-C670 PolarHBondContact O-N 3.33Å
669C29.8Very low33.5Very low108 Ų108125.7 Ų125.773%0.7374%0.74SS**  trans-65.592.5171.7-710000109.2V667 G671V667-C669 PolarHBondContact O-N 2.73Å; C669-G671 PolarHBondContact O-N 2.89Å
670C29.6Very low33.2Very low104 Ų104126 Ų12670%0.70374%0.743SS**  trans-70.770.5177.6-71.30000112.3I668 S672I668-C670 PolarHBondContact O-N 3.33Å; C670-S672 PolarHBondContact O-N 3.29Å
671G28.1Very low32.8Very low66 Ų66127.6 Ų127.668%0.6875%0.751SS**PPolyproline II helixtrans-55.9127.7167.600000110.6C669 P673C669-G671 PolarHBondContact O-N 2.89Å; G671-P673 WeakPolarHBondContact O-CD 3.17Å
672S32.1Very low31.8Very low113 Ų113129.6 Ų129.679%0.7976%0.762SS**PPolyproline II helixtrans-72.2127.2-175.8-66.40000112C670C670-S672 PolarHBondContact O-N 3.29Å
673P32.8Very low31.4Very low125 Ų125130 Ų13081%0.81276%0.763SS**PPolyproline II helixtrans-63.9136.3166-19.132.5000110.5G671G671-P673 WeakPolarHBondContact O-CD 3.17Å
674Q28.1Very low31.2Very low190 Ų190131.1 Ų131.189%0.88878%0.776SS**PPolyproline II helixtrans-69.8150.2171.9-68.8177.7-29.900110.4
675K28.1Very low30.7Very low198 Ų198130.2 Ų130.286%0.86178%0.776SS**PPolyproline II helixtrans-82.7123.8169.6-69.6-178.1178.2-178.50109.4
676E27Very low30.3Very low191 Ų191132.7 Ų132.789%0.89378%0.782SS**PPolyproline II helixtrans-97.3133152.4-67.8-167.4144.400108.8
677E27.1Very low30.1Very low190 Ų190136.2 Ų136.289%0.88878%0.784SS**PPolyproline II helixtrans-89.7132.4175.6-62-172.4134.700109.7
678S27.2Very low30.2Very low124 Ų124138.3 Ų138.387%0.86780%0.8SS**  trans-137.7141.9163.550.40000109.8
679S28.7Very low30.2Very low120 Ų120137 Ų13784%0.83980%0.799SS**  trans-124.8164.8-158.962.70000113.2
680A29.2Very low30.2Very low92 Ų92139 Ų13976%0.7681%0.807SS**  trans103.9149.2158.800000118
681L31.1Very low30.1Very low159 Ų159138.9 Ų138.983%0.83281%0.808SS**  trans-65.7167.5175-60.3100.4000110.1
682D26.9Very low30.2Very low147 Ų147141.9 Ų141.979%0.78681%0.812SS**  cis-165.2178.248.4-156.8-1.6000113.8
683T31.7Very low30.1Very low111 Ų111143.9 Ų143.968%0.68181%0.809SS**  trans-108.2152.5178.8-24.40000110.4
684P39.7Very low30.2Very low119 Ų119143.1 Ų143.177%0.77381%0.807SS**  -153.7132.1104.834.8-15.5000117.7
685T28.9Very low30.4Very low117 Ų117140.4 Ų140.472%0.71880%0.804SS**  trans26.7121.6131.6-44.60000121.4
686K32.8Very low31.1Very low202 Ų202136.5 Ų136.588%0.87880%0.799SS**  trans-168.7143.4131.4-104.8150.5-171.2170.90113.7
687N28.6Very low32.4Very low144 Ų144133 Ų13377%0.7779%0.792SS**  trans-90.6167.5174.5-59.3-14.5000111.2
688P37.8Very low33.3Very low136 Ų136129 Ų12988%0.88378%0.783SS**  -136.2175.9106.138.8-29.4000114.9
689T28.5Very low33.7Very low121 Ų121132.1 Ų132.174%0.74278%0.781SS**  trans-114.1141.2-164.2-47.40000113.8
690V30Very low34.3Very low149 Ų149135.5 Ų135.590%0.90378%0.781SS**  trans-141.3155.2156.8-173.70000109
691S27Very low34.3Very low103 Ų103138 Ų13872%0.7278%0.781SS**  trans-151.3152.8-171.9169.10000112.5
692V30.2Very low34.4Very low128 Ų128139.7 Ų139.778%0.77678%0.781SS**  trans-175.3160.5151.6141.40000111.5
693Q31.7Very low34.5Very low155 Ų155138.4 Ų138.472%0.72478%0.779SS**  trans-76.9161.3-167.6-6094.9-54.300116.4
694S34.7Very low34.5Very low110 Ų110140 Ų14077%0.76978%0.783SS**  cis81.7134.525.3-71.40000116.3
695T31.2Very low34.2Very low132 Ų132140.7 Ų140.781%0.8179%0.785SS**  cis-151.5-147.4-0.836.90000107.7
696P42.5Very low34.2Very low117 Ų117139 Ų13976%0.7678%0.783SS**  cis-139.3-173.4-8.445.9-25.4000117.6
697P55.6Low34.4Very low116 Ų116135.6 Ų135.675%0.75378%0.779SS**  trans-117.2176.9-175.742.6-33.5000116.3
698P46.4Very low34.5Very low107 Ų107137.2 Ų137.270%0.69578%0.782SS**  -167.7156112.340.2-18000123.7
699K35.4Very low34.3Very low190 Ų190135.9 Ų135.983%0.82678%0.775SS**  trans72.8109.5133.5-67.7164.9-168.1169.20128.3
700K39.6Very low34.7Very low191 Ų191137.3 Ų137.383%0.8378%0.778SS**  48.5148.9114.6-61.6-170.5177.6-171.50127.5
701N30Very low35.6Very low143 Ų143136 Ų13677%0.76577%0.773SS**  trans95.8153.8157.6-63.3-17.5000118.4
702K32.8Very low36.3Very low195 Ų195138.6 Ų138.685%0.84878%0.779SS**  cis-162.8172.4-17.3-113.8-169.9175.8-169.40112.6
703V30.4Very low36.7Very low120 Ų120141 Ų14173%0.72778%0.781SS**  trans-73.9152.5-166.8-153.30000119
704N30.8Very low37.2Very low145 Ų145141.1 Ų141.178%0.77579%0.785SS**  trans155.7125.9134.1-79.5-3000111.8
705V32.8Very low37.3Very low133 Ų133142.3 Ų142.381%0.80678%0.782SS**  87.2111.663.3169.80000115
706A29.4Very low37.7Very low83 Ų83141.6 Ų141.669%0.68678%0.777SS**  trans148.7111.1139.500000117.2
707T36.4Very low37.3Very low130 Ų130143.7 Ų143.780%0.79878%0.781SS**  trans51.512913661.40000125.3
708Q31.9Very low36.3Very low178 Ų178142.6 Ų142.683%0.83278%0.776SS**  115.8133.5120-122.8-179.9-3100121.5
709C32.6Very low36.1Very low107 Ų107144.7 Ų144.772%0.72378%0.781SS**  trans81.8117158.8-600000120.5
710D37.2Very low36.3Very low151 Ų151140.4 Ų140.481%0.80778%0.775SS**  trans-71.1172.7158.6-41.3-82.8000111.9
711P48.5Very low36.1Very low123 Ų123142.9 Ų142.980%0.79980%0.797SS**  -144.6157.4111.539.1-26.7000115.4
712D42.3Very low36.4Very low157 Ų157142.9 Ų142.984%0.8480%0.799SS**  trans-63.9140.8159-48.4-87.1000111.2
713E39.5Very low36.5Very low179 Ų179140.1 Ų140.184%0.83680%0.796SS**  trans-154.2120.4148.4-135166.8-145.800112
714I41.4Very low36.9Very low156 Ų156141.2 Ų141.280%0.880%0.8SS**  trans-88128.4179.5-60.5166.4000108.9V716I714-V716 HydrophobicContact CG2-CG2 4.33Å
715I35.8Very low37.2Very low136 Ų136141 Ų14170%0.69780%0.801SS**  trans-127.1105.7170.9-56.4-178000110.2L717I715-L717 HydrophobicContact CG2-CD1 4.44Å; I715-L717 HydrophobicContact CG2-CG 4.23Å
716V40.3Very low37.5Very low117 Ų117141.5 Ų141.571%0.70980%0.801SS**  trans-92.9130.6165.8175.80000108.5I714I714-V716 HydrophobicContact CG2-CG2 4.33Å
717L34.7Very low38.1Very low161 Ų161145.4 Ų145.484%0.84381%0.809SS**  trans-140.1115.1165.2-73.5177.8000110.1I715I715-L717 HydrophobicContact CG2-CD1 4.44Å; I715-L717 HydrophobicContact CG2-CG 4.23Å
718S34.8Very low38.2Very low92 Ų92146.5 Ų146.564%0.64381%0.81SS**  trans-96.5168.8164.5-53.30000110.2
719D40.6Very low38.7Very low152 Ų152144.1 Ų144.181%0.81381%0.808SS**  trans68137.5154.4-63-6.7000118.5
720S40.2Very low39.2Very low99 Ų99147.2 Ų147.269%0.69282%0.815SS**  cis-161.2157.1-12.3-77.10000109.6
721D34.6Very low39.3Very low243 Ų243146.8 Ų146.8100%1.29982%0.816SS**  trans-1630133.5-116.61.4000109.7

Retrieved 721 of 721 residues in 413 ms (Link to these results)