X5DRE4_HUMAN Loading...

Aryl-hydrocarbon receptor nuclear translocator 2 isoform H

AlphaFold DB , UniProt , Accession X5DRE4, Species HUMAN (Homo sapiens, Human), Gene ARNT2, Length 220 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
1M40.7Very low51.8Low245 Ų245133.8 Ų133.8100%1.20783%0.827SS**  0142.50-71.8-155.3179.500108.7
2A47.7Very low51.3Low90 Ų90137.2 Ų137.274%0.74483%0.829SS**  trans68.593.6172.400000117
3T59.1Low50.2Low137 Ų137134.8 Ų134.884%0.8483%0.834SS**  71.9125.386.155.80000116
4P55.6Low49.9Very low135 Ų135133 Ų13388%0.87783%0.828SS**  trans-92155.2179.237.2-32.6000112.5
5A55.8Low49.4Very low99 Ų99135.3 Ų135.382%0.81883%0.833SS**  trans-130.1126178.200000113.3
6A51.6Low49.6Very low93 Ų93137 Ų13777%0.76983%0.833SS**  trans39.6121.4149.600000118.7
7V50Low49.4Very low137 Ų137136 Ų13683%0.8383%0.83SS**  cis55.584.744.2-148.20000115
8N50.3Low48.7Very low153 Ų153133.4 Ų133.482%0.81884%0.835SS**  -172.4146.3125.2-131.2-111.2000113.1
9P55.2Low48.4Very low85 Ų85131.6 Ų131.655%0.55283%0.827SS**  trans-91.6173.6-179.438.7-33.8000112.5E11P9-E11 HydrophobicContact CG-CG 4.46Å
10P57.9Low48.1Very low136 Ų136131 Ų13188%0.88382%0.822SS**  trans-90.7106.9156.231.4-25.2000110.2
11E45.4Very low47.5Very low162 Ų162131.2 Ų131.276%0.75782%0.822SS**  trans-88.2156.4157.4-71-126.9113.800110.4P9P9-E11 HydrophobicContact CG-CG 4.46Å
12M46.5Very low47.5Very low174 Ų174127.4 Ų127.486%0.85781%0.806SS**  trans69.9100.6149.481.9-150.4-166.900120.8
13A37Very low47.5Very low107 Ų107129.5 Ų129.588%0.88481%0.812SS**  trans-140.788.4134.600000108.2
14S46.5Very low46.3Very low109 Ų109129.9 Ų129.976%0.76281%0.814SS**  trans-89.8119.1164.9-61.10000107.5
15D41.8Very low45.5Very low167 Ų167127.3 Ų127.389%0.89381%0.805SS**  trans-152.3100156.4-88.6-59.1000110.2
16I52.8Low45.3Very low163 Ų163127.2 Ų127.284%0.83680%0.796SS**  trans-129.6137.8157.7-61.4-178.9000102.5
17P45.5Very low44.7Very low120 Ų120131 Ų13178%0.77980%0.799SS**  cis-143.9161.442.125.5-0.4000116.7
18G37.2Very low44Very low89 Ų89128.7 Ų128.792%0.91880%0.795SS**  trans-120.997.416400000111.5
19S42.6Very low43.3Very low99 Ų99125.5 Ų125.569%0.69279%0.79SS**  trans-111.3125.6176.4160.90000110.6
20V42.8Very low42.6Very low120 Ų120128.7 Ų128.773%0.72781%0.808SS**  trans47.7126.6144.994.20000120.5
21T34.7Very low41.4Very low135 Ų135125.1 Ų125.183%0.82880%0.795SS**  164.7143.6122.336.90000113.3
22L41.3Very low41.1Very low165 Ų165126.3 Ų126.386%0.86480%0.801SS**  trans-71.2167.2173.8-66.6161.4000112.5
23P48Very low41Very low134 Ų134124.5 Ų124.587%0.8780%0.8SS**  -146.3-179.6117.233.8-14.3000115.9
24V34.3Very low41.1Very low145 Ų145130.5 Ų130.588%0.87980%0.799SS**  trans-86.6168.9-155.989.10000115.4
25A38.2Very low40.7Very low82 Ų82134.5 Ų134.568%0.67881%0.808SS**  trans-59.6178.3-177.700000116.7
26P51.2Low40.9Very low97 Ų97131.6 Ų131.663%0.6381%0.807SS**  -155.2173.271.731.3-5.3000119.2
27M39.7Very low40.2Very low172 Ų172127.1 Ų127.185%0.84780%0.802SS**  trans66.4147.8149.882.3-131156.100120.5
28A34.8Very low40Very low89 Ų89125.8 Ų125.874%0.73680%0.801SS**  cis-159.7137.27.300000108.2
29A36.8Very low40.7Very low86 Ų86129.5 Ų129.571%0.71180%0.796SS**  89.2138.9107.900000118
30T39.1Very low41.1Very low151 Ų151131.4 Ų131.493%0.92681%0.806SS**  trans76.9130.1172.874.80000115.3
31G34.5Very low41.2Very low61 Ų61130 Ų13063%0.62981%0.807SS**  cis160.1146.14.300000106.8
32Q39Very low41.7Very low188 Ų188135.4 Ų135.488%0.87981%0.812SS**  trans73.7145.5164.5-54.9-179.9-35.900116.3
33V42.5Very low41.9Very low136 Ų136131.1 Ų131.182%0.82481%0.808SS**  cis-162.8159.6-7.4-101.50000106.7
34R40.8Very low41.9Very low233 Ų233128 Ų12888%0.87980%0.8SS**  trans-54141.4179.6-59.3162.9173.1173.5-4.6113.9
35M38.3Very low42.4Very low192 Ų192131.1 Ų131.195%0.94680%0.801SS**  trans-147.1125.2137.6-86.2-54.7177.800110.3
36A44.4Very low42.9Very low106 Ų106138 Ų13888%0.87681%0.81SS**  trans-90.2130.1167.300000108.7
37G39Very low43.1Very low70 Ų70144.9 Ų144.972%0.72282%0.823SS**  trans-156.599.1165.600000106.6
38A41.9Very low43.5Very low92 Ų92141.3 Ų141.376%0.7682%0.815SS**  71.8102.588.700000113.3
39M51.1Low44.5Very low167 Ų167140 Ų14082%0.82381%0.81SS**  trans79.1108.8150.5-48-55174.600119.9A41M39-A41 PolarHBondContact O-N 3.23Å
40P50.2Low45.5Very low138 Ų138142.8 Ų142.890%0.89681%0.81SS**  trans-73.498.314729.4-29000109R42P40-R42 PolarHBondContact O-N 3.2Å
41A46.3Very low45.6Very low90 Ų90142.9 Ų142.974%0.74481%0.805SS**  trans-71.8107.5169.600000110.1M39M39-A41 PolarHBondContact O-N 3.23Å
42R45.3Very low46.1Very low250 Ų250149 Ų14994%0.94382%0.815SS**  50.791.2124.7-167.3171.2175.8156.1-3.9116P40P40-R42 PolarHBondContact O-N 3.2Å
43G44.3Very low46.9Very low74 Ų74146.2 Ų146.276%0.76381%0.806SS**  trans-155.520.6163.900000114K45G43-K45 PolarHBondContact O-N 3.27Å
44G49.2Very low47.5Very low68 Ų68147.8 Ų147.870%0.70181%0.81SS**  trans-59.1104.1167.300000108.3R46G44-R46 PolarHBondContact O-N 3.36Å
45K44.6Very low48.4Very low211 Ų211144.4 Ų144.492%0.91780%0.804SS**  trans-68.279.9162.7-154.988.2156.3-171.10105.3G43 R47G43-K45 PolarHBondContact O-N 3.27Å; K45-R47 PolarHBondContact O-N 3.15Å; K45-R47 VanDerWaalsContact O-N 3.17Å
46R47.1Very low49.3Very low226 Ų226143.1 Ų143.185%0.85380%0.801SS**  trans-45.5122167.9-66.5167.970.2-171.52.1105.5G44 S48G44-R46 PolarHBondContact O-N 3.36Å; R46-S48 PolarHBondContact O-N 3.44Å
47R55.4Low49.6Very low243 Ų243141 Ų14192%0.91779%0.79SS**  trans-16.4102.8153-61.7170.6179.1179.2-2.7109.4K45 G49K45-R47 PolarHBondContact O-N 3.15Å; K45-R47 VanDerWaalsContact O-N 3.17Å; R47-G49 VanDerWaalsContact C-N 3.3Å; R47-G49 PolarHBondContact O-N 2.91Å
48S48.2Very low50.2Low96 Ų96147 Ų14767%0.67180%0.799SS**  trans-61.9105.5146.151.20000103R46 M50R46-S48 PolarHBondContact O-N 3.44Å; S48-M50 VanDerWaalsContact C-N 3.28Å
49G55.5Low50.7Low61 Ų61145.1 Ų145.163%0.62979%0.789SS**  66.243.357.900000108.2R47R47-G49 VanDerWaalsContact C-N 3.3Å; R47-G49 PolarHBondContact O-N 2.91Å
50M57.9Low50.8Low145 Ų145141.6 Ų141.671%0.71478%0.778SS**  trans-91.2103.9146.5-78.276.8-174.800103.8S48 F52S48-M50 VanDerWaalsContact C-N 3.28Å; M50-F52 PolarHBondContact O-N 2.95Å
51D43Very low51.1Low154 Ų154140 Ų14082%0.82477%0.77SS**  trans-42.5107.9160-71.2-99.9000108.1D53D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 2.96Å; D51-D53 VanDerWaalsContact O-N 3.17Å
52F45.1Very low51.3Low189 Ų189143.4 Ų143.483%0.82977%0.768SS**  trans-73.699.2159.8-83-93.9000104.2M50 D54M50-F52 PolarHBondContact O-N 2.95Å; F52-D54 VanDerWaalsContact C-N 3.3Å; F52-D54 PolarHBondContact O-N 3.1Å
53D55.1Low51.3Low129 Ų129138.8 Ų138.869%0.6976%0.755SS**  trans-59.1100.3163.4-154.2-115.8000106.2D51 E55D51-D53 VanDerWaalsContact C-N 3.29Å; D51-D53 PolarHBondContact O-N 2.96Å; D51-D53 VanDerWaalsContact O-N 3.17Å; D53-E55 PolarHBondContact O-N 3.37Å; D53-E55 WeakPolarHBondContact OD1-CB 3.15Å
54D55.8Low51.8Low169 Ų169138.3 Ų138.390%0.90474%0.74SS**  trans-70.462.9168.7-111.5-75.1000107.3F52F52-D54 VanDerWaalsContact C-N 3.3Å; F52-D54 PolarHBondContact O-N 3.1Å
55E58.3Low52Low162 Ų162144.8 Ų144.876%0.75774%0.744SS**  trans-98.2104166.3-148.8-167.8122.200108D53 G57D53-E55 PolarHBondContact O-N 3.37Å; D53-E55 WeakPolarHBondContact OD1-CB 3.15Å; E55-G57 PolarHBondContact O-N 3.31Å
56D58.6Low52.2Low165 Ų165140.9 Ų140.988%0.88273%0.729SS**  trans-12.9107.2164.4-165.1-164.2000115.3
57G48.8Very low52.9Low63 Ų63134.2 Ų134.265%0.64971%0.71SS**  trans-168.472.7-179.500000111.8E55 G59E55-G57 PolarHBondContact O-N 3.31Å; G57-G59 PolarHBondContact O-N 3.49Å
58E52Low53.6Low195 Ų195128.8 Ų128.891%0.91169%0.694SS**  trans-16.1102.2160.1-173.8101.795.600112.8
59G52.3Low54.8Low53 Ų53126.9 Ų126.955%0.54668%0.681SS.*  trans-81.4146.5-166.900000115G57G57-G59 PolarHBondContact O-N 3.49Å
60P53Low55.7Low92 Ų92127.4 Ų127.460%0.59767%0.667SS**  trans-103.714.8150.136.2-29.9000112.2S64P60-S64 WeakPolarHBondContact O-CB 3.5Å; P60-S64 PolarHBondContact O-N 3.32Å; P60-S64 PolarHBondContact O-OG 3.28Å
61S58.3Low56.5Low104 Ų104124 Ų12473%0.72765%0.651SS**THydrogen-bonded Turntrans-78.5-33.4-165.7177.40000115.6
62K49.8Very low58.4Low163 Ų163118 Ų11871%0.70962%0.618SS**THydrogen-bonded Turntrans-99.2-42.5-178.945-169.8169.2-174.10113.1R65 E66K62-R65 PolarHBondContact O-N 3.22Å; K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 PolarHBondContact O-N 2.98Å; K62-E66 VanDerWaalsContact O-N 3.08Å
63F45.6Very low60.1Low152 Ų152115.5 Ų115.567%0.66760%0.604SS**Hα-helixtrans-67.8-38.7176.5-73.8-78.5000113.1R65 E66 N67F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 2.98Å; F63-E66 PolarHBondContact O-N 3.42Å; F63-N67 WeakPolarHBondContact O-CB 3.44Å; F63-N67 PolarHBondContact O-N 3.21Å
64S54.4Low61.5Low64 Ų64116.8 Ų116.845%0.44860%0.599SS.*Hα-helixtrans-68.8-33178-52.70000112.5P60 H68P60-S64 WeakPolarHBondContact O-CB 3.5Å; P60-S64 PolarHBondContact O-N 3.32Å; P60-S64 PolarHBondContact O-OG 3.28Å; S64-H68 WeakPolarHBondContact O-CB 3.35Å; S64-H68 PolarHBondContact O-N 3.5Å
65R52.8Low62.8Low205 Ų205115.3 Ų115.377%0.77458%0.58SS**Hα-helixtrans-73.2-38.4177.3-169.3170160.3-160.8-5.4111.7K62 F63 S69K62-R65 PolarHBondContact O-N 3.22Å; F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 2.98Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å
66E49.4Very low64.3Low129 Ų129114.8 Ų114.860%0.60357%0.572SS**Hα-helixtrans-70-42.4173.7-170.8156.3-14900111.9K62 F63 H68 S69 E70K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 PolarHBondContact O-N 2.98Å; K62-E66 VanDerWaalsContact O-N 3.08Å; F63-E66 PolarHBondContact O-N 3.42Å; E66-H68 PolarHBondContact O-N 3.38Å; E66-S69 WeakPolarHBondContact O-CB 3.19Å; E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.07Å; E66-E70 PolarHBondContact O-N 3.32Å
67N61.6Low65.7Low86 Ų86111.9 Ų111.946%0.4656%0.556SS.*Hα-helixtrans-63.1-41.6174.4-169.7-90.2000111.9F63 S69 E70 I71F63-N67 WeakPolarHBondContact O-CB 3.44Å; F63-N67 PolarHBondContact O-N 3.21Å; N67-S69 VanDerWaalsContact C-N 3.33Å; N67-S69 PolarHBondContact O-N 3.29Å; N67-E70 PolarHBondContact O-N 3.44Å; N67-E70 VanDerWaalsContact O-N 3.16Å; N67-I71 WeakPolarHBondContact O-CG1 3.09Å; N67-I71 PolarHBondContact O-N 3.46Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.39Å
68H70.9Confident67.6Low128 Ų128114.2 Ų114.259%0.59355%0.548SS*.Hα-helixtrans-62.8-39.9173.7-170.969.5000111.9S64 E66 E70 E72S64-H68 WeakPolarHBondContact O-CB 3.35Å; S64-H68 PolarHBondContact O-N 3.5Å; E66-H68 PolarHBondContact O-N 3.38Å; H68-E70 VanDerWaalsContact C-N 3.29Å; H68-E70 PolarHBondContact O-N 3.06Å; H68-E72 VanDerWaalsContact O-CB 3.23Å; H68-E72 WeakPolarHBondContact O-CB 3.31Å; H68-E72 PolarHBondContact O-N 2.84Å
69S72.4Confident69.3Low57 Ų57109.1 Ų109.140%0.39953%0.525SS..Hα-helixtrans-65.2-32.8174.8820000112.9R65 E66 N67 R73R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å; E66-S69 WeakPolarHBondContact O-CB 3.19Å; E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.07Å; N67-S69 VanDerWaalsContact C-N 3.33Å; N67-S69 PolarHBondContact O-N 3.29Å; S69-R73 WeakPolarHBondContact O-CB 3.48Å; S69-R73 PolarHBondContact O-N 3.13Å
70E74.8Confident71Confident71 Ų71109.1 Ų109.133%0.33252%0.515SS..Hα-helixtrans-74.9-44.3177.5-172.6177.6-17500112.4E66 N67 H68 E72 R73 R74E66-E70 PolarHBondContact O-N 3.32Å; N67-E70 PolarHBondContact O-N 3.44Å; N67-E70 VanDerWaalsContact O-N 3.16Å; H68-E70 VanDerWaalsContact C-N 3.29Å; H68-E70 PolarHBondContact O-N 3.06Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.29Å; E70-R73 PolarHBondContact O-N 3.4Å; E70-R74 WeakPolarHBondContact O-CG 3.4Å; E70-R74 PolarHBondContact O-N 2.86Å; E70-R74 IonicContact OE1-CZ 3.45Å; E70-R74 IonicContact OE1-NE 3.54Å; E70-R74 IonicContact OE1-NH2 2.97Å; E70-R74 PolarHBondContact OE1-NH2 2.89Å; E70-R74 IonicContact OE2-NH2 2.68Å
71I75.2Confident72.9Confident73 Ų73109.7 Ų109.737%0.37451%0.509SS..Hα-helixtrans-59.9-45.5174.9-69.4168.6000110.1N67 R73 R74 R75N67-I71 WeakPolarHBondContact O-CG1 3.09Å; N67-I71 PolarHBondContact O-N 3.46Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.39Å; I71-R73 PolarHBondContact O-N 3.23Å; I71-R74 PolarHBondContact O-N 3.5Å; I71-R75 PolarHBondContact O-N 3.47Å
72E81.4Confident74.5Confident29 Ų29110.8 Ų110.814%0.13650%0.499CS..Hα-helixtrans-62.2-42.3176.4178.556.8-152.600111.8H68 E70 R74 R75 R76H68-E72 VanDerWaalsContact O-CB 3.23Å; H68-E72 WeakPolarHBondContact O-CB 3.31Å; H68-E72 PolarHBondContact O-N 2.84Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.3Å; E72-R74 PolarHBondContact O-N 3.33Å; E72-R75 VanDerWaalsContact CD-CZ 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 PolarHBondContact O-N 3.18Å; E72-R75 IonicContact OE1-CZ 3.38Å; E72-R75 IonicContact OE1-NE 3.74Å; E72-R75 IonicContact OE1-NH2 2.74Å; E72-R75 PolarHBondContact OE1-NH2 3.26Å; E72-R75 IonicContact OE2-CZ 2.8Å; E72-R75 IonicContact OE2-NE 3.4Å; E72-R75 PolarHBondContact OE2-NE 3.47Å; E72-R75 IonicContact OE2-NH1 3.99Å; E72-R75 PolarHBondContact OE2-NH1 2.92Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 2.88Å; E72-R76 VanDerWaalsContact CG-NH2 3.29Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.75Å; E72-R76 IonicContact OE1-CZ 3.5Å; E72-R76 IonicContact OE1-NE 2.88Å; E72-R76 PolarHBondContact OE1-NE 3.29Å; E72-R76 IonicContact OE1-NH2 3.33Å; E72-R76 PolarHBondContact OE1-NH2 3.41Å
73R81.4Confident76.4Confident137 Ų137103.7 Ų103.752%0.51747%0.468SS..Hα-helixtrans-59.2-46.1174.3-173.6-170.2-60.31362111.2S69 E70 I71 R75 R76 N77S69-R73 WeakPolarHBondContact O-CB 3.48Å; S69-R73 PolarHBondContact O-N 3.13Å; E70-R73 WeakPolarHBondContact O-CB 3.29Å; E70-R73 PolarHBondContact O-N 3.4Å; I71-R73 PolarHBondContact O-N 3.23Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 3.14Å; R73-R76 PolarHBondContact O-N 3.07Å; R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.43Å; R73-N77 PolarHBondContact O-OD1 3.45Å
74R84.2Confident78.5Confident156 Ų15699 Ų9959%0.58945%0.452SS*.Hα-helixtrans-60.7-40.6176.9-69.6175.9-171.3179.32.6111.4E70 I71 E72 N77 K78E70-R74 WeakPolarHBondContact O-CG 3.4Å; E70-R74 PolarHBondContact O-N 2.86Å; E70-R74 IonicContact OE1-CZ 3.45Å; E70-R74 IonicContact OE1-NE 3.54Å; E70-R74 IonicContact OE1-NH2 2.97Å; E70-R74 PolarHBondContact OE1-NH2 2.89Å; E70-R74 IonicContact OE2-NH2 2.68Å; I71-R74 PolarHBondContact O-N 3.5Å; E72-R74 PolarHBondContact O-N 3.33Å; R74-N77 PolarHBondContact O-N 2.96Å; R74-K78 VanDerWaalsContact O-CB 3.32Å; R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.32Å
75R84.4Confident80.3Confident138 Ų138100.1 Ų100.152%0.52145%0.45SS..Hα-helixtrans-61-45.1174.4-166.2-17576.9-162.21.6112I71 E72 R73 K78 M79I71-R75 PolarHBondContact O-N 3.47Å; E72-R75 VanDerWaalsContact CD-CZ 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 PolarHBondContact O-N 3.18Å; E72-R75 IonicContact OE1-CZ 3.38Å; E72-R75 IonicContact OE1-NE 3.74Å; E72-R75 IonicContact OE1-NH2 2.74Å; E72-R75 PolarHBondContact OE1-NH2 3.26Å; E72-R75 IonicContact OE2-CZ 2.8Å; E72-R75 IonicContact OE2-NE 3.4Å; E72-R75 PolarHBondContact OE2-NE 3.47Å; E72-R75 IonicContact OE2-NH1 3.99Å; E72-R75 PolarHBondContact OE2-NH1 2.92Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 2.88Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 3.14Å; R75-K78 PolarHBondContact O-N 2.83Å; R75-M79 WeakPolarHBondContact O-CB 3.47Å; R75-M79 PolarHBondContact O-N 3.28Å
76R89.9Confident82.1Confident151 Ų15192.3 Ų92.357%0.5742%0.424SS*.Hα-helixtrans-64.5-40.8177.7-69.2174.4-167.9168.71112.5E72 R73 T80E72-R76 VanDerWaalsContact CG-NH2 3.29Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.75Å; E72-R76 IonicContact OE1-CZ 3.5Å; E72-R76 IonicContact OE1-NE 2.88Å; E72-R76 PolarHBondContact OE1-NE 3.29Å; E72-R76 IonicContact OE1-NH2 3.33Å; E72-R76 PolarHBondContact OE1-NH2 3.41Å; R73-R76 PolarHBondContact O-N 3.07Å; R76-T80 WeakPolarHBondContact O-CB 3.48Å; R76-T80 PolarHBondContact O-N 3.5Å; R76-T80 PolarHBondContact O-OG1 3.33Å
77N87.8Confident84Confident103 Ų10386.9 Ų86.955%0.55140%0.4SS*.Hα-helixtrans-64.6-45.4176.9-71-2.6000110.6R73 R74 T80 Q81R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.43Å; R73-N77 PolarHBondContact O-OD1 3.45Å; R74-N77 PolarHBondContact O-N 2.96Å; N77-T80 PolarHBondContact O-N 3.36Å; N77-T80 VanDerWaalsContact O-N 3.17Å; N77-Q81 PolarHBondContact O-N 2.91Å
78K87.8Confident85.3Confident113 Ų11388 Ų8849%0.49141%0.406SS..Hα-helixtrans-64.4-41.5178.1-168.8153.5-177.8168.40112.7R74 R75 T80 Q81 Y82R74-K78 VanDerWaalsContact O-CB 3.32Å; R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.32Å; R75-K78 PolarHBondContact O-N 2.83Å; K78-T80 VanDerWaalsContact C-N 3.34Å; K78-T80 PolarHBondContact O-N 3.29Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 3.11Å; K78-Y82 HydrophobicContact CD-CE2 4.35Å; K78-Y82 WeakPolarHBondContact CE-OH 3.38Å; K78-Y82 HydrophobicContact CG-CD2 4.19Å; K78-Y82 HydrophobicContact CG-CE2 3.57Å; K78-Y82 VanDerWaalsContact O-CD2 3.24Å; K78-Y82 WeakPolarHBondContact O-CD2 3.3Å; K78-Y82 PolarHBondContact O-N 3.31Å
79M87.3Confident86.2Confident87 Ų8788 Ų8843%0.42941%0.408SS..Hα-helixtrans-61.6-43.2171.9-174.9-173.2-174.800111.6R75 Q81 Y82 I83R75-M79 WeakPolarHBondContact O-CB 3.47Å; R75-M79 PolarHBondContact O-N 3.28Å; M79-Q81 VanDerWaalsContact C-N 3.31Å; M79-Q81 PolarHBondContact O-N 2.87Å; M79-Y82 PolarHBondContact O-N 3.46Å; M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.49Å; M79-I83 PolarHBondContact O-N 3.23Å
80T89.4Confident87Confident54 Ų5485.5 Ų85.533%0.33139%0.39SS..Hα-helixtrans-65.7-37179.9-55.50000111.6R76 N77 K78 I83 T84 K102R76-T80 WeakPolarHBondContact O-CB 3.48Å; R76-T80 PolarHBondContact O-N 3.5Å; R76-T80 PolarHBondContact O-OG1 3.33Å; N77-T80 PolarHBondContact O-N 3.36Å; N77-T80 VanDerWaalsContact O-N 3.17Å; K78-T80 VanDerWaalsContact C-N 3.34Å; K78-T80 PolarHBondContact O-N 3.29Å; T80-I83 PolarHBondContact O-N 2.97Å; T80-T84 PolarHBondContact O-N 3.26Å; T80-T84 VanDerWaalsContact O-N 3.1Å; T80-T84 PolarHBondContact O-OG1 3.12Å; T80-K102 PolarHBondContact OG1-NZ 2.99Å
81Q91.5Very high87.5Confident103 Ų10385.9 Ų85.948%0.48140%0.399SS..Hα-helixtrans-59-53.2170.7178.4179.316.700110.9N77 K78 M79 I83 T84 E85N77-Q81 PolarHBondContact O-N 2.91Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 3.11Å; M79-Q81 VanDerWaalsContact C-N 3.31Å; M79-Q81 PolarHBondContact O-N 2.87Å; Q81-I83 VanDerWaalsContact C-N 3.28Å; Q81-I83 PolarHBondContact O-N 3.42Å; Q81-T84 WeakPolarHBondContact O-CB 3.46Å; Q81-T84 PolarHBondContact O-N 3.44Å; Q81-E85 HydrophobicContact CG-CG 4.46Å; Q81-E85 VanDerWaalsContact CG-OE1 3.22Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.3Å; Q81-E85 PolarHBondContact NE2-OE1 3.25Å; Q81-E85 PolarHBondContact O-N 3.13Å
82Y92.1Very high88Confident128 Ų12886 Ų8650%0.50240%0.403SS..Hα-helixtrans-59.1-37.3178.8-67.1-38.5000113.3K78 M79 T84 L86K78-Y82 HydrophobicContact CD-CE2 4.35Å; K78-Y82 WeakPolarHBondContact CE-OH 3.38Å; K78-Y82 HydrophobicContact CG-CD2 4.19Å; K78-Y82 HydrophobicContact CG-CE2 3.57Å; K78-Y82 VanDerWaalsContact O-CD2 3.24Å; K78-Y82 WeakPolarHBondContact O-CD2 3.3Å; K78-Y82 PolarHBondContact O-N 3.31Å; M79-Y82 PolarHBondContact O-N 3.46Å; Y82-T84 VanDerWaalsContact C-N 3.32Å; Y82-T84 PolarHBondContact O-N 3.18Å; Y82-L86 WeakPolarHBondContact O-CB 3.38Å; Y82-L86 PolarHBondContact O-N 3.1Å
83I89.4Confident88.1Confident14 Ų1484.9 Ų84.97%0.07240%0.398CS..Hα-helixtrans-64.4-38.2174.9-67.8-70.2000111.5M79 T80 Q81 S87 K102 I105 L106M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.49Å; M79-I83 PolarHBondContact O-N 3.23Å; T80-I83 PolarHBondContact O-N 2.97Å; Q81-I83 VanDerWaalsContact C-N 3.28Å; Q81-I83 PolarHBondContact O-N 3.42Å; I83-S87 PolarHBondContact O-N 2.94Å; I83-S87 PolarHBondContact O-OG 2.96Å; I83-K102 HydrophobicContact CD1-CB 4.4Å; I83-K102 HydrophobicContact CG1-CB 4.48Å; I83-K102 HydrophobicContact CG1-CD 4.45Å; I83-K102 HydrophobicContact CG2-CB 4.28Å; I83-K102 HydrophobicContact CG2-CG 4.11Å; I83-I105 HydrophobicContact CG2-CB 4.37Å; I83-I105 HydrophobicContact CG2-CD1 3.51Å; I83-I105 HydrophobicContact CG2-CG2 4.29Å; I83-L106 HydrophobicContact CD1-CD1 4.16Å; I83-L106 HydrophobicContact CD1-CD2 3.86Å; I83-L106 HydrophobicContact CD1-CG 3.82Å
84T90Very high88.3Confident52 Ų5282 Ų8232%0.31940%0.399SS..Hα-helixtrans-70.3-48.7-180-52.30000110.9T80 Q81 Y82 L86 S87 D88T80-T84 PolarHBondContact O-N 3.26Å; T80-T84 VanDerWaalsContact O-N 3.1Å; T80-T84 PolarHBondContact O-OG1 3.12Å; Q81-T84 WeakPolarHBondContact O-CB 3.46Å; Q81-T84 PolarHBondContact O-N 3.44Å; Y82-T84 VanDerWaalsContact C-N 3.32Å; Y82-T84 PolarHBondContact O-N 3.18Å; T84-L86 PolarHBondContact O-N 3.48Å; T84-S87 WeakPolarHBondContact CA-OG 3.39Å; T84-S87 PolarHBondContact O-N 3.46Å; T84-S87 PolarHBondContact O-OG 2.71Å; T84-D88 PolarHBondContact O-N 2.79Å; T84-D88 VanDerWaalsContact O-N 3.14Å
85E91.8Very high88.1Confident88 Ų8878.8 Ų78.841%0.41141%0.406SS..Hα-helixtrans-59.7-37.2176-68.8174.3-166.400111.3Q81 D88 M89Q81-E85 HydrophobicContact CG-CG 4.46Å; Q81-E85 VanDerWaalsContact CG-OE1 3.22Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.3Å; Q81-E85 PolarHBondContact NE2-OE1 3.25Å; Q81-E85 PolarHBondContact O-N 3.13Å; E85-D88 PolarHBondContact O-N 3.43Å; E85-M89 PolarHBondContact O-N 3.14Å
86L91.7Very high88Confident42 Ų4276.4 Ų76.422%0.2240%0.403CS..Hα-helixtrans-67.1-39.4174.2-174.363.6000112.5Y82 T84 D88 M89 V90 I105 L106 A109Y82-L86 WeakPolarHBondContact O-CB 3.38Å; Y82-L86 PolarHBondContact O-N 3.1Å; T84-L86 PolarHBondContact O-N 3.48Å; L86-D88 PolarHBondContact O-N 2.89Å; L86-M89 HydrophobicContact CD1-CE 4.25Å; L86-M89 PolarHBondContact O-N 3.05Å; L86-V90 HydrophobicContact CD1-CG2 4.36Å; L86-V90 HydrophobicContact CG-CG2 4.46Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.29Å; L86-I105 HydrophobicContact CD2-CG2 4.45Å; L86-I105 HydrophobicContact CG-CG2 4.43Å; L86-L106 HydrophobicContact CD2-CD2 3.86Å; L86-A109 HydrophobicContact CD1-CB 4.05Å; L86-A109 HydrophobicContact CD2-CB 3.83Å; L86-A109 HydrophobicContact CG-CB 3.97Å
87S89.3Confident87.2Confident15 Ų1574.7 Ų74.711%0.10542%0.421CS..Hα-helixtrans-64.7-31.2177.655.70000113I83 T84 M89 V90I83-S87 PolarHBondContact O-N 2.94Å; I83-S87 PolarHBondContact O-OG 2.96Å; T84-S87 WeakPolarHBondContact CA-OG 3.39Å; T84-S87 PolarHBondContact O-N 3.46Å; T84-S87 PolarHBondContact O-OG 2.71Å; S87-M89 VanDerWaalsContact C-N 3.35Å; S87-V90 PolarHBondContact O-N 3.17Å
88D89Confident87Confident108 Ų10880.3 Ų80.358%0.57844%0.435SS*.Hα-helixtrans-72.3-31.7177.7-61.9-23.4000111.5T84 E85 L86T84-D88 PolarHBondContact O-N 2.79Å; T84-D88 VanDerWaalsContact O-N 3.14Å; E85-D88 PolarHBondContact O-N 3.43Å; L86-D88 PolarHBondContact O-N 2.89Å
89M90.5Very high86.7Confident130 Ų13083.6 Ų83.664%0.6445%0.449SS*.Hα-helixtrans-79.7-12.8175.3-68.4-172.1-7100114.2E85 L86 S87 P91E85-M89 PolarHBondContact O-N 3.14Å; L86-M89 HydrophobicContact CD1-CE 4.25Å; L86-M89 PolarHBondContact O-N 3.05Å; S87-M89 VanDerWaalsContact C-N 3.35Å; M89-P91 WeakPolarHBondContact O-CD 3.4Å
90V88.6Confident86.5Confident3 Ų380.8 Ų80.82%0.01844%0.437CS..  trans-103.2108.9-177.1177.60000109.6L86 S87 T92 C93 S94 M108 A109 H112L86-V90 HydrophobicContact CD1-CG2 4.36Å; L86-V90 HydrophobicContact CG-CG2 4.46Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.16Å; L86-V90 PolarHBondContact O-N 3.29Å; S87-V90 PolarHBondContact O-N 3.17Å; V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 3.33Å; V90-T92 VanDerWaalsContact O-N 3.1Å; V90-C93 HydrophobicContact CB-CB 4.11Å; V90-C93 HydrophobicContact CG1-CB 4.13Å; V90-C93 VanDerWaalsContact CG1-SG 3.54Å; V90-C93 PolarHBondContact O-N 2.88Å; V90-S94 PolarHBondContact O-N 2.75Å; V90-S94 VanDerWaalsContact O-N 3.13Å; V90-M108 HydrophobicContact CG1-CB 4.23Å; V90-A109 HydrophobicContact CG2-CB 3.59Å; V90-H112 HydrophobicContact CG1-CB 4.24Å
91P84.8Confident86.5Confident80 Ų8084 Ų8452%0.51945%0.452SS..Hα-helixtrans-59.5-31.9-171.3-25.333.7000114M89 C93M89-P91 WeakPolarHBondContact O-CD 3.4Å; P91-C93 VanDerWaalsContact C-N 3.34Å
92T86.9Confident86.3Confident76 Ų7683.6 Ų83.647%0.46645%0.449SS..Hα-helixtrans-74.5-24.5179.754.70000112.8V90 L96 M108V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 3.33Å; V90-T92 VanDerWaalsContact O-N 3.1Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-M108 WeakPolarHBondContact O-CE 3.44Å; T92-M108 WeakPolarHBondContact OG1-CE 3.32Å
93C82.9Confident86.1Confident4 Ų479.8 Ų79.83%0.02744%0.437CS..Hα-helixtrans-86-39.6177.8-65.40000111.9V90 P91 A95 L96 M108V90-C93 HydrophobicContact CB-CB 4.11Å; V90-C93 HydrophobicContact CG1-CB 4.13Å; V90-C93 VanDerWaalsContact CG1-SG 3.54Å; V90-C93 PolarHBondContact O-N 2.88Å; P91-C93 VanDerWaalsContact C-N 3.34Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 2.84Å; C93-L96 PolarHBondContact O-N 3.1Å; C93-M108 WeakPolarHBondContact SG-CB 3.41Å
94S84.7Confident86.1Confident76 Ų7681.5 Ų81.553%0.53145%0.448SS..Hα-helixtrans-65.5-33.4-175.8-176.50000113V90 L96V90-S94 PolarHBondContact O-N 2.75Å; V90-S94 VanDerWaalsContact O-N 3.13Å; S94-L96 PolarHBondContact O-N 3.43Å
95A79.7Confident86.1Confident90 Ų9079.4 Ų79.474%0.74444%0.435SS*.THydrogen-bonded Turntrans-77.2-1.1-179.300000114.9C93C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 2.84Å
96L82.6Confident86Confident87 Ų8776.4 Ų76.446%0.45542%0.422SS..  trans-87.3124.1-176.1-63.9174.8000111.6T92 C93 S94 R98 P100 M108T92-L96 WeakPolarHBondContact O-CG 3.44Å; C93-L96 PolarHBondContact O-N 3.1Å; S94-L96 PolarHBondContact O-N 3.43Å; L96-R98 PolarHBondContact O-N 3.28Å; L96-P100 HydrophobicContact CD1-CB 4.17Å; L96-P100 HydrophobicContact CD1-CG 4.12Å; L96-M108 HydrophobicContact CD1-CE 4.2Å
97A73.9Confident85.8Confident115 Ų11580.8 Ų80.895%0.9544%0.435SS*.SBendtrans-69.8-12178.300000114.3
98R82.6Confident85.8Confident222 Ų22282.1 Ų82.184%0.83844%0.44SS*.SBendtrans-116.1132.3170.8-78.9-176167.9-177.4-3109L96 P100L96-R98 PolarHBondContact O-N 3.28Å; R98-P100 WeakPolarHBondContact O-CD 3.47Å; R98-P100 VanDerWaalsContact O-N 3.09Å
99K81.6Confident86Confident182 Ų18277 Ų7779%0.79141%0.414SS*.  trans-60.7109.9-179.3-147.3128.1175.4169.90108.8
100P83.9Confident85.9Confident27 Ų2772.9 Ų72.918%0.17540%0.395CS..  trans-68.3150.6-177.625.7-31.7000111L96 R98 T104 I105L96-P100 HydrophobicContact CD1-CB 4.17Å; L96-P100 HydrophobicContact CD1-CG 4.12Å; R98-P100 WeakPolarHBondContact O-CD 3.47Å; R98-P100 VanDerWaalsContact O-N 3.09Å; P100-T104 HydrophobicContact CB-CG2 4.03Å; P100-I105 HydrophobicContact CB-CG1 4.16Å; P100-I105 HydrophobicContact CG-CD1 4.11Å; P100-I105 HydrophobicContact CG-CG1 3.61Å; P100-I105 WeakPolarHBondContact O-CD1 3.48Å
101D89.1Confident85.9Confident123 Ų12376.5 Ų76.566%0.65842%0.421SS*.  trans-58.3153.1176.5-66.4-48.6000111.8L103 T104 I105D101-L103 PolarHBondContact O-N 3.47Å; D101-L103 VanDerWaalsContact O-N 3.15Å; D101-T104 WeakPolarHBondContact O-CA 3.29Å; D101-T104 WeakPolarHBondContact O-CB 3.39Å; D101-T104 PolarHBondContact O-N 2.94Å; D101-I105 PolarHBondContact O-N 2.95Å
102K86.8Confident85.9Confident94 Ų9475.2 Ų75.241%0.40941%0.408SS..Hα-helixtrans-53.5-40.3-179.4-59.8-171.3169.9-178.40112.4T80 I83 L106T80-K102 PolarHBondContact OG1-NZ 2.99Å; I83-K102 HydrophobicContact CD1-CB 4.4Å; I83-K102 HydrophobicContact CG1-CB 4.48Å; I83-K102 HydrophobicContact CG1-CD 4.45Å; I83-K102 HydrophobicContact CG2-CB 4.28Å; I83-K102 HydrophobicContact CG2-CG 4.11Å; K102-L106 WeakPolarHBondContact O-CB 3.18Å; K102-L106 VanDerWaalsContact O-CG 3.3Å; K102-L106 WeakPolarHBondContact O-CG 3.24Å; K102-L106 PolarHBondContact O-N 3.49Å; K102-L106 VanDerWaalsContact O-N 3.14Å
103L88.9Confident85.9Confident47 Ų4776.2 Ų76.225%0.24641%0.408CS..Hα-helixtrans-67.4-37178.1-172.765.4000112.2D101 L106 R107 L210D101-L103 PolarHBondContact O-N 3.47Å; D101-L103 VanDerWaalsContact O-N 3.15Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.97Å; L103-R107 VanDerWaalsContact O-CG 3.29Å; L103-R107 WeakPolarHBondContact O-CG 3.07Å; L103-R107 PolarHBondContact O-N 3.44Å; L103-L210 HydrophobicContact CD1-CD1 3.22Å; L103-L210 HydrophobicContact CD1-CG 4.21Å
104T89.4Confident85.7Confident50 Ų5083 Ų8331%0.30744%0.438SS..Hα-helixtrans-68.2-45.4178.7-58.70000110.6P100 D101 L106 R107 M108P100-T104 HydrophobicContact CB-CG2 4.03Å; D101-T104 WeakPolarHBondContact O-CA 3.29Å; D101-T104 WeakPolarHBondContact O-CB 3.39Å; D101-T104 PolarHBondContact O-N 2.94Å; T104-L106 VanDerWaalsContact C-N 3.28Å; T104-L106 PolarHBondContact O-N 3.28Å; T104-R107 PolarHBondContact O-N 3.21Å; T104-M108 HydrophobicContact CG2-SD 3.67Å; T104-M108 WeakPolarHBondContact O-CB 3.4Å; T104-M108 VanDerWaalsContact O-CG 3.31Å; T104-M108 WeakPolarHBondContact O-CG 3.35Å; T104-M108 PolarHBondContact O-N 2.96Å
105I89.4Confident85.3Confident8 Ų882.7 Ų82.74%0.04144%0.435CS..Hα-helixtrans-54.4-48173.1-65.9166.2000110.3I83 L86 P100 D101 R107 M108 A109I83-I105 HydrophobicContact CG2-CB 4.37Å; I83-I105 HydrophobicContact CG2-CD1 3.51Å; I83-I105 HydrophobicContact CG2-CG2 4.29Å; L86-I105 HydrophobicContact CD2-CG2 4.45Å; L86-I105 HydrophobicContact CG-CG2 4.43Å; P100-I105 HydrophobicContact CB-CG1 4.16Å; P100-I105 HydrophobicContact CG-CD1 4.11Å; P100-I105 HydrophobicContact CG-CG1 3.61Å; P100-I105 WeakPolarHBondContact O-CD1 3.48Å; D101-I105 PolarHBondContact O-N 2.95Å; I105-R107 PolarHBondContact O-N 3.38Å; I105-M108 PolarHBondContact O-N 2.86Å; I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.25Å
106L90.6Very high85Confident26 Ų2683.8 Ų83.814%0.13643%0.426CS..Hα-helixtrans-60.3-45.7178.9-79.4-178.4000113.1I83 L86 K102 L103 T104 A109 V110 W206I83-L106 HydrophobicContact CD1-CD1 4.16Å; I83-L106 HydrophobicContact CD1-CD2 3.86Å; I83-L106 HydrophobicContact CD1-CG 3.82Å; L86-L106 HydrophobicContact CD2-CD2 3.86Å; K102-L106 WeakPolarHBondContact O-CB 3.18Å; K102-L106 VanDerWaalsContact O-CG 3.3Å; K102-L106 WeakPolarHBondContact O-CG 3.24Å; K102-L106 PolarHBondContact O-N 3.49Å; K102-L106 VanDerWaalsContact O-N 3.14Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.97Å; T104-L106 VanDerWaalsContact C-N 3.28Å; T104-L106 PolarHBondContact O-N 3.28Å; L106-A109 PolarHBondContact O-N 3.33Å; L106-V110 WeakPolarHBondContact O-CG2 3.22Å; L106-V110 PolarHBondContact O-N 3.39Å; L106-V110 VanDerWaalsContact O-N 3.07Å; L106-W206 HydrophobicContact CB-CZ2 3.84Å; L106-W206 HydrophobicContact CD1-CZ2 4.36Å; L106-W206 HydrophobicContact CD2-CZ2 4.08Å; L106-W206 HydrophobicContact CG-CZ2 4.3Å
107R85.9Confident84.3Confident133 Ų13388 Ų8850%0.50244%0.436SS..Hα-helixtrans-64.1-41.4178.4-73.7171176.4-177.1-1.4112.3L103 T104 I105 V110 S111L103-R107 VanDerWaalsContact O-CG 3.29Å; L103-R107 WeakPolarHBondContact O-CG 3.07Å; L103-R107 PolarHBondContact O-N 3.44Å; T104-R107 PolarHBondContact O-N 3.21Å; I105-R107 PolarHBondContact O-N 3.38Å; R107-V110 PolarHBondContact O-N 3.16Å; R107-S111 PolarHBondContact O-N 3.34Å
108M90.7Very high83.5Confident43 Ų4385.5 Ų85.521%0.21242%0.422CS..Hα-helixtrans-71-38.3179.1-69171.768.800111.6V90 T92 C93 L96 T104 I105 V110 S111 H112V90-M108 HydrophobicContact CG1-CB 4.23Å; T92-M108 WeakPolarHBondContact O-CE 3.44Å; T92-M108 WeakPolarHBondContact OG1-CE 3.32Å; C93-M108 WeakPolarHBondContact SG-CB 3.41Å; L96-M108 HydrophobicContact CD1-CE 4.2Å; T104-M108 HydrophobicContact CG2-SD 3.67Å; T104-M108 WeakPolarHBondContact O-CB 3.4Å; T104-M108 VanDerWaalsContact O-CG 3.31Å; T104-M108 WeakPolarHBondContact O-CG 3.35Å; T104-M108 PolarHBondContact O-N 2.96Å; I105-M108 PolarHBondContact O-N 2.86Å; M108-V110 VanDerWaalsContact C-N 3.35Å; M108-V110 PolarHBondContact O-N 3.5Å; M108-S111 WeakPolarHBondContact O-CB 3.5Å; M108-S111 PolarHBondContact O-N 3.44Å; M108-H112 WeakPolarHBondContact O-CB 3.37Å; M108-H112 PolarHBondContact O-N 2.96Å
109A91.9Very high82Confident2 Ų280.8 Ų80.82%0.01742%0.418CS..Hα-helixtrans-58.9-45.6172.900000111.9L86 V90 I105 L106 S111 H112 M113L86-A109 HydrophobicContact CD1-CB 4.05Å; L86-A109 HydrophobicContact CD2-CB 3.83Å; L86-A109 HydrophobicContact CG-CB 3.97Å; V90-A109 HydrophobicContact CG2-CB 3.59Å; I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 3.33Å; A109-S111 PolarHBondContact O-N 3.48Å; A109-H112 PolarHBondContact O-N 2.95Å; A109-M113 WeakPolarHBondContact O-CG 3.45Å; A109-M113 PolarHBondContact O-N 2.93Å
110V88.5Confident80.9Confident43 Ų4374.4 Ų74.426%0.26140%0.403SS..Hα-helixtrans-63.9-42.2177170.90000111.5L106 R107 M108 H112 M113 K114 W206L106-V110 WeakPolarHBondContact O-CG2 3.22Å; L106-V110 PolarHBondContact O-N 3.39Å; L106-V110 VanDerWaalsContact O-N 3.07Å; R107-V110 PolarHBondContact O-N 3.16Å; M108-V110 VanDerWaalsContact C-N 3.35Å; M108-V110 PolarHBondContact O-N 3.5Å; V110-H112 PolarHBondContact O-N 3.43Å; V110-M113 HydrophobicContact CG2-CE 4.23Å; V110-M113 PolarHBondContact O-N 3.48Å; V110-K114 WeakPolarHBondContact O-CB 3.46Å; V110-K114 PolarHBondContact O-N 3.04Å; V110-W206 HydrophobicContact CB-CH2 4.4Å; V110-W206 HydrophobicContact CG2-CH2 3.35Å; V110-W206 HydrophobicContact CG2-CZ2 3.75Å; V110-W206 HydrophobicContact CG2-CZ3 3.83Å
111S88.1Confident79.2Confident79 Ų7979.9 Ų79.955%0.55243%0.431SS*.Hα-helixtrans-59.9-45.3174.6-176.10000111.6R107 M108 A109 K114 S115R107-S111 PolarHBondContact O-N 3.34Å; M108-S111 WeakPolarHBondContact O-CB 3.5Å; M108-S111 PolarHBondContact O-N 3.44Å; A109-S111 PolarHBondContact O-N 3.48Å; S111-K114 PolarHBondContact O-N 3.43Å; S111-S115 WeakPolarHBondContact O-CB 3.45Å; S111-S115 PolarHBondContact O-N 3.19Å
112H86.6Confident77.1Confident53 Ų5384.1 Ų84.125%0.24544%0.444CS..Hα-helixtrans-61.2-49.9177177.753.9000112V90 M108 A109 V110 K114 S115 M116V90-H112 HydrophobicContact CG1-CB 4.24Å; M108-H112 WeakPolarHBondContact O-CB 3.37Å; M108-H112 PolarHBondContact O-N 2.96Å; A109-H112 PolarHBondContact O-N 2.95Å; V110-H112 PolarHBondContact O-N 3.43Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 3.47Å; H112-S115 PolarHBondContact O-N 3Å; H112-M116 WeakPolarHBondContact O-CG 3.24Å; H112-M116 PolarHBondContact O-N 2.91Å
113M84.9Confident74.9Confident97 Ų9784.2 Ų84.248%0.47846%0.456SS..Hα-helixtrans-62.3-35.8176.5-69.5-173-69.500112.8A109 V110 M116 R117A109-M113 WeakPolarHBondContact O-CG 3.45Å; A109-M113 PolarHBondContact O-N 2.93Å; V110-M113 HydrophobicContact CG2-CE 4.23Å; V110-M113 PolarHBondContact O-N 3.48Å; M113-M116 HydrophobicContact CG-CE 4.18Å; M113-R117 WeakPolarHBondContact O-CG 3.23Å; M113-R117 PolarHBondContact O-N 3.22Å
114K80.3Confident72.7Confident147 Ų14788.2 Ų88.264%0.63948%0.483SS*.Hα-helixtrans-72.4-35.8177.3-172.5166.8176.7168.10112.1V110 S111 H112 R117 G118V110-K114 WeakPolarHBondContact O-CB 3.46Å; V110-K114 PolarHBondContact O-N 3.04Å; S111-K114 PolarHBondContact O-N 3.43Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 3.47Å; K114-R117 PolarHBondContact O-N 2.97Å; K114-G118 PolarHBondContact O-N 3.22Å; K114-G118 VanDerWaalsContact O-N 3.13Å
115S76.6Confident70.1Confident69 Ų6993.4 Ų93.448%0.48351%0.509SS..Hα-helixtrans-68.1-41.2174.6-168.10000111.7S111 H112 R117 G118 T119S111-S115 WeakPolarHBondContact O-CB 3.45Å; S111-S115 PolarHBondContact O-N 3.19Å; H112-S115 PolarHBondContact O-N 3Å; S115-R117 PolarHBondContact O-N 3.39Å; S115-G118 WeakPolarHBondContact O-CA 3.32Å; S115-G118 PolarHBondContact O-N 3.47Å; S115-T119 PolarHBondContact O-N 3.24Å; S115-T119 VanDerWaalsContact O-N 3.11Å
116M73.2Confident68.3Low113 Ų11396.9 Ų96.956%0.55755%0.546SS*.Hα-helixtrans-61.1-29.5174.4-70-169.2-64.300112.4H112 M113H112-M116 WeakPolarHBondContact O-CG 3.24Å; H112-M116 PolarHBondContact O-N 2.91Å; M113-M116 HydrophobicContact CG-CE 4.18Å
117R67.9Low65.9Low174 Ų17499.8 Ų99.866%0.65758%0.575SS**THydrogen-bonded Turntrans-81.7-13.3172.2-67.3173.665.3-112.6-1.8114M113 K114 S115M113-R117 WeakPolarHBondContact O-CG 3.23Å; M113-R117 PolarHBondContact O-N 3.22Å; K114-R117 PolarHBondContact O-N 2.97Å; S115-R117 PolarHBondContact O-N 3.39Å
118G57.6Low63.8Low63 Ų63101.2 Ų101.265%0.64958%0.581SS**THydrogen-bonded Turntrans-99.2-20.7-175.100000114.7K114 S115 G120K114-G118 PolarHBondContact O-N 3.22Å; K114-G118 VanDerWaalsContact O-N 3.13Å; S115-G118 WeakPolarHBondContact O-CA 3.32Å; S115-G118 PolarHBondContact O-N 3.47Å; G118-G120 PolarHBondContact O-N 2.93Å
119T51Low61.3Low124 Ų124107.5 Ų107.576%0.76161%0.607SS**SBendtrans-94.468.9172.9-53.70000108.3S115S115-T119 PolarHBondContact O-N 3.24Å; S115-T119 VanDerWaalsContact O-N 3.11Å
120G56.8Low58.8Low47 Ų47111.8 Ų111.849%0.48564%0.635SS.*SBendtrans-157.3-60.5-160.900000118.4G118G118-G120 PolarHBondContact O-N 2.93Å
121N48.2Very low56.6Low143 Ų143114.6 Ų114.677%0.76566%0.656SS**  trans-149.589.1-163.7-5586.8000112.3S123N121-S123 VanDerWaalsContact C-N 3.3Å
122K46.6Very low54.4Low212 Ų212120.5 Ų120.592%0.92267%0.672SS**  trans-99.548.5149.9-62.4-171.5163.8-64.40109.1
123S39.1Very low52.3Low96 Ų96125 Ų12567%0.67170%0.698SS**SBendtrans-145.3115.6175-56.40000107N121N121-S123 VanDerWaalsContact C-N 3.3Å
124T42.7Very low50.1Low131 Ų131129.3 Ų129.380%0.80471%0.714SS**  trans-9.8146.6165.656.10000118.4
125D36.3Very low47.6Very low158 Ų158131.5 Ų131.585%0.84572%0.724SS**  trans79.197.5156.1-94-102000119.3A127D125-A127 PolarHBondContact O-N 3.39Å
126G50.3Low45.9Very low81 Ų81137 Ų13784%0.83574%0.742SS**  71.340.1104.900000118.6
127A40.3Very low43.8Very low88 Ų88134.3 Ų134.373%0.72774%0.743SS**  trans-163.276.5158.300000111.4D125 K129D125-A127 PolarHBondContact O-N 3.39Å; A127-K129 PolarHBondContact O-N 2.95Å
128Y41.5Very low42.9Very low162 Ų162131.3 Ų131.364%0.63575%0.746SS**  trans-72.183.4167-173.3-100.8000109.4P130Y128-P130 HydrophobicContact CE1-CB 4.3Å; Y128-P130 HydrophobicContact CE1-CG 4.33Å
129K38.8Very low42.2Very low176 Ų176137.1 Ų137.177%0.76576%0.756SS**  trans-102107.8167.3-147.9175.4178.3-174.80106.1A127 S131A127-K129 PolarHBondContact O-N 2.95Å; K129-S131 VanDerWaalsContact C-N 3.34Å; K129-S131 PolarHBondContact O-N 2.9Å
130P39.1Very low41.5Very low92 Ų92139.3 Ų139.360%0.59776%0.757SS**  trans-75.790.5178.830.5-31.3000108.1Y128 F132Y128-P130 HydrophobicContact CE1-CB 4.3Å; Y128-P130 HydrophobicContact CE1-CG 4.33Å; P130-F132 PolarHBondContact O-N 3.37Å
131S42.8Very low40.9Very low102 Ų102143.6 Ų143.671%0.71377%0.774SS**  trans-72.7108.3172.4-64.90000108.9K129 L133K129-S131 VanDerWaalsContact C-N 3.34Å; K129-S131 PolarHBondContact O-N 2.9Å; S131-L133 PolarHBondContact O-N 2.99Å; S131-L133 VanDerWaalsContact O-N 3.13Å
132F41.7Very low41Very low202 Ų202141.3 Ų141.389%0.88677%0.767SS**  trans-69.44.8178.5-161.1-99.8000113.8P130P130-F132 PolarHBondContact O-N 3.37Å
133L42.7Very low40.4Very low148 Ų148138 Ų13878%0.77576%0.759SS**  trans-148.6103.1-170.2-66174.6000111.3S131S131-L133 PolarHBondContact O-N 2.99Å; S131-L133 VanDerWaalsContact O-N 3.13Å
134F39.2Very low40.3Very low188 Ų188140.6 Ų140.683%0.82576%0.764SS**  trans-160.786.3139.3-160.5-96.6000110
135F27.2Very low40.7Very low192 Ų192139.4 Ų139.484%0.84276%0.759SS**  trans-155.277.6153.1-128.9-85.9000109.7
136H40.5Very low40.7Very low185 Ų185136.7 Ų136.786%0.85676%0.758SS**SBendtrans-119.8112.7152-93.2-90.1000106.9
137G29.4Very low39.9Very low56 Ų56137.9 Ų137.958%0.57776%0.761SS**  trans92.7119.7154.800000116.7
138P49.3Very low39.8Very low111 Ų111143.5 Ų143.572%0.72177%0.769SS**  trans-73.5176.8157.834.9-30000109.9
139E42.4Very low40.1Very low185 Ų185141.6 Ų141.686%0.86478%0.776SS**  trans93.187.8175-47.9-80.2121.600115.2
140H37.5Very low39.8Very low170 Ų170142.4 Ų142.479%0.78778%0.783SS**  -179.9102124.8-161.470.4000111.3
141V42.9Very low39.7Very low138 Ų138143.9 Ų143.984%0.83680%0.795SS**  trans-116.3134.6143.8-78.10000104.6
142P49.9Very low39.3Very low95 Ų95142.7 Ų142.762%0.61780%0.799SS**  -149.4146.465.234.7-12.7000117.4
143N35.1Very low38.9Very low142 Ų142136.3 Ų136.376%0.75979%0.79SS**  61.9115.4126.2-150.8-15.7000121.4
144L37.7Very low39Very low150 Ų150138.2 Ų138.279%0.78580%0.797SS**  172172.3111.9-128.475.5000109.5
145P50.5Low38.8Very low107 Ų107136.7 Ų136.770%0.69580%0.798SS**  -122.1179.1-124.133.4-10000114.4
146A35.8Very low39.8Very low100 Ų100139 Ų13983%0.82680%0.801SS**  trans68.7105.5151.600000118.9
147A34.6Very low39.5Very low107 Ų107138.4 Ų138.488%0.88480%0.799SS**  -160.2132.4125.600000109.7
148K38Very low39.8Very low206 Ų206141.4 Ų141.490%0.89681%0.811SS**  trans-110.2173.6172.6-128.7-173.4-171173.90107.2
149P46.9Very low39.2Very low122 Ų122141.6 Ų141.679%0.79281%0.814SS**  -97.6160-116.338.8-26.9000113.5
150E32.5Very low39Very low193 Ų193137.7 Ų137.790%0.90281%0.814SS**  trans-127.5135.7161.774.5-163.2126.400112
151S37.5Very low39.1Very low123 Ų123137.8 Ų137.886%0.8682%0.82SS**  trans-68.1142-17448.50000113.6
152G33.5Very low38.6Very low77 Ų77136.9 Ų136.979%0.79482%0.819SS**  trans-154.875.4164.800000110.4
153G34.6Very low37.8Very low68 Ų68135.7 Ų135.770%0.70183%0.825SS**  trans-76.5122.1165.900000109.3
154M44.8Very low38.2Very low187 Ų187135.6 Ų135.692%0.92183%0.829SS**  trans-127.887.5163.9-74.1171.3162.700106.9R156M154-R156 PolarHBondContact O-N 2.87Å
155D34.8Very low38.1Very low157 Ų157132.6 Ų132.684%0.8483%0.826SS**  trans-47.5118157.313-71.6000110.3
156R46.9Very low37.6Very low240 Ų240134.4 Ų134.491%0.90683%0.83SS**  trans-139.698.6160.7-149.5171.7-173.2131.9-0110.2M154M154-R156 PolarHBondContact O-N 2.87Å
157E35.2Very low37.8Very low173 Ų173135.9 Ų135.981%0.80883%0.831SS**  trans-52.9132.2163.2-170.3-174.3104.800110.6
158S34.6Very low37.9Very low118 Ų118137.4 Ų137.483%0.82582%0.823SS**  trans-162.1101149.8-80.40000109.7
159S38.4Very low38.2Very low115 Ų115132.6 Ų132.680%0.80482%0.815SS**  trans-46.8134.1164.1-52.40000112.1
160A36.8Very low37.9Very low104 Ų104133.1 Ų133.186%0.8682%0.816SS**  trans-136.3129157.300000109
161L39.3Very low38.1Very low172 Ų172130.8 Ų130.890%0.90181%0.805SS**  trans-72.3151-164.4-68.7147.2000112.8G163L161-G163 PolarHBondContact O-N 3.48Å
162S34.3Very low37.9Very low118 Ų118133.3 Ų133.383%0.82580%0.803SS**  trans-43.2121.8159.81640000112.1
163G33.1Very low37.9Very low71 Ų71137 Ų13773%0.73281%0.805SS**  trans-143.491.116800000109.3L161 A165L161-G163 PolarHBondContact O-N 3.48Å; G163-A165 PolarHBondContact O-N 3.17Å
164T42.8Very low38.2Very low139 Ų139137.6 Ų137.685%0.85380%0.798SS**  trans-65.4111.6169.251.20000109.3
165A34.8Very low38.2Very low87 Ų87133.8 Ų133.872%0.71979%0.785SS**  trans-152.710216100000109.1G163 P167G163-A165 PolarHBondContact O-N 3.17Å; A165-P167 VanDerWaalsContact O-CD 3.32Å; A165-P167 WeakPolarHBondContact O-CD 3.47Å
166N40Very low38.6Very low145 Ų145133.6 Ų133.678%0.77578%0.783SS**  trans-65.9131.2159.9-65-65.2000108.7I168N166-I168 HydrophobicContact CB-CG1 4.41Å
167P39.7Very low37.9Very low131 Ų131127.3 Ų127.385%0.85178%0.775SS**  trans-99.182.2148.932.6-27.6000108.3A165A165-P167 VanDerWaalsContact O-CD 3.32Å; A165-P167 WeakPolarHBondContact O-CD 3.47Å
168I37.5Very low38.2Very low139 Ų139126 Ų12671%0.71377%0.773SS**  trans-87.6134.1154.8-65.2171000105.7N166N166-I168 HydrophobicContact CB-CG1 4.41Å
169S44.3Very low38.5Very low106 Ų106128.9 Ų128.974%0.74177%0.766SS**  trans8890175.8-38.90000114.6
170V41Very low38.4Very low133 Ų133129 Ų12981%0.80676%0.758SS**SBend-154.2133.9114.4-173.50000107.3
171Q35.8Very low38.5Very low144 Ų144134.8 Ų134.867%0.67376%0.757SS**  trans87.850.5168-125.992.926.500119.2D173Q171-D173 VanDerWaalsContact C-N 3.34Å
172Q33.1Very low39Very low175 Ų175131.1 Ų131.182%0.81874%0.739SS**  trans-86.64.2161.1-91.9-172.81.200114.8
173D35Very low39.2Very low156 Ų156132.9 Ų132.983%0.83473%0.734SS**SBendtrans-103.122.9-173.7-62.9-39.4000115.1Q171Q171-D173 VanDerWaalsContact C-N 3.34Å
174S41.1Very low39.6Very low80 Ų80133.2 Ų133.256%0.55972%0.723SS**SBendtrans-141.46.4178.5-57.10000116.7
175V43.3Very low39.7Very low106 Ų106134.9 Ų134.964%0.64272%0.721SS**SBendtrans-97.44.7-179.6-63.90000114.6
176I42.9Very low39.8Very low154 Ų154137.8 Ų137.879%0.7972%0.723SS**THydrogen-bonded Turntrans-85.7-10.8175.3-61.9176.1000111.9
177S33.7Very low39.9Very low108 Ų108137.1 Ų137.176%0.75573%0.727SS**THydrogen-bonded Turntrans-94.57-178.2-54.90000115.6
178L39.8Very low40.4Very low145 Ų145134.5 Ų134.576%0.75972%0.724SS**  trans-122.336.3-177.2-156.473.2000114.2D180L178-D180 VanDerWaalsContact C-N 3.31Å
179W42.9Very low40.6Very low179 Ų179138.6 Ų138.668%0.67873%0.731SS**  trans-106.447.8154.7-58.299.9000109.3W181W179-W181 VanDerWaalsContact C-N 3.27Å; W179-W181 PolarHBondContact O-N 2.87Å
180D34.3Very low40.6Very low117 Ų117139.1 Ų139.163%0.62673%0.732SS**  trans-72.489.8162.8-170.524.6000107.6L178 N182L178-D180 VanDerWaalsContact C-N 3.31Å; D180-N182 PolarHBondContact O-N 2.74Å
181W39.9Very low40.6Very low225 Ų225140.5 Ų140.585%0.85273%0.734SS**  trans-79.851.6177.4-149.3-22.1000109.9W179W179-W181 VanDerWaalsContact C-N 3.27Å; W179-W181 PolarHBondContact O-N 2.87Å
182N48.7Very low41Very low96 Ų96142.6 Ų142.651%0.51374%0.741SS.*  trans-157.289.1173.8-173.672.4000110.3D180D180-N182 PolarHBondContact O-N 2.74Å
183E39.4Very low41.5Very low155 Ų155142.4 Ų142.472%0.72474%0.744SS**  trans-131.3115.5156.8-133.1174.314000110.7
184P42Very low42.2Very low77 Ų77141.9 Ų141.950%0.574%0.737SS.*  trans-71.5134173.730.8-30.3000108.7L186P184-L186 PolarHBondContact O-N 3.4Å
185H45.1Very low42.6Very low174 Ų174143 Ų14381%0.80674%0.743SS**  trans-0.2104159.758.1-73.4000116.5
186L37.3Very low42.7Very low148 Ų148143 Ų14378%0.77575%0.745SS**  trans-129136.8156.6-72.3177000110.1P184P184-L186 PolarHBondContact O-N 3.4Å
187P42.2Very low43.1Very low131 Ų131140.6 Ų140.685%0.85173%0.733SS**SBendtrans-79.8129.2-179.832.4-31000110.1
188G48.9Very low43.7Very low77 Ų77140.5 Ų140.579%0.79472%0.721SS**  trans116.949.2160.600000118.3
189R42.3Very low44.1Very low225 Ų225136.2 Ų136.285%0.84970%0.701SS**  trans-106134.9160.6-81.2-170.1177.7-119.94.7112.2
190P43.2Very low44.3Very low117 Ų117131.6 Ų131.676%0.7670%0.696SS**  trans-74139.3-177.429.2-32.7000111.9F192P190-F192 PolarHBondContact O-N 2.97Å
191L42.2Very low45.1Very low162 Ų162132.4 Ų132.485%0.84869%0.691SS**THydrogen-bonded Turntrans-72.431.5-170.3-68.1171.6000115.8
192F44.4Very low45.9Very low188 Ų188125.9 Ų125.983%0.82567%0.673SS**THydrogen-bonded Turntrans-116.21.5-167.9-131.7-93.9000117.9P190P190-F192 PolarHBondContact O-N 2.97Å
193L43.7Very low46.2Very low170 Ų170125.7 Ų125.789%0.8967%0.671SS**  trans-133.473.5169.3-84.896000111.3
194Q48Very low47.3Very low145 Ų145120.7 Ų120.768%0.67866%0.657SS**  trans-95.7127.4150.1-77.1177.854.800107
195P50.9Low48.2Very low105 Ų105121.6 Ų121.668%0.68265%0.653SS**  trans-57.8142.2168.724.5-30.9000108.4L197P195-L197 PolarHBondContact O-N 3.13Å
196P44.9Very low48.9Very low106 Ų106116.4 Ų116.469%0.68863%0.626SS**  trans-58.4112.718024.1-32000107.7Q198P196-Q198 PolarHBondContact O-N 3.26Å
197L51.8Low50Low103 Ų103115.5 Ų115.554%0.53962%0.618SS.*  trans-65.681.1174.3-73.2168000107.6P195 P199 L202P195-L197 PolarHBondContact O-N 3.13Å; L197-P199 WeakPolarHBondContact O-CD 3.44Å; L197-L202 HydrophobicContact CB-CD1 4.23Å; L197-L202 HydrophobicContact CD2-CD2 4.16Å; L197-L202 HydrophobicContact CD2-CG 4.42Å
198Q46.9Very low50.8Low106 Ų106113.4 Ų113.450%0.49561%0.605SS.*  trans-58.8128.1173.4-71.5-69.5200107.3P196 S200 Y201 L202P196-Q198 PolarHBondContact O-N 3.26Å; Q198-S200 PolarHBondContact O-N 2.95Å; Q198-Y201 WeakPolarHBondContact O-CB 3.47Å; Q198-Y201 PolarHBondContact O-N 2.86Å; Q198-L202 PolarHBondContact O-N 2.72Å
199P47.9Very low51.2Low55 Ų55114.6 Ų114.636%0.35759%0.593SS.*Hα-helixtrans-54.8-27.5179.3-27.934.8000113.1L197 L203L197-P199 WeakPolarHBondContact O-CD 3.44Å; P199-L203 WeakPolarHBondContact O-CB 3.33Å; P199-L203 WeakPolarHBondContact O-CG 3.36Å; P199-L203 PolarHBondContact O-N 2.92Å
200S47.2Very low52Low81 Ų81105.6 Ų105.657%0.56656%0.561SS**Hα-helixtrans-65.1-37.8173.253.40000113.3Q198 L203 A204Q198-S200 PolarHBondContact O-N 2.95Å; S200-L203 PolarHBondContact O-N 3Å; S200-A204 WeakPolarHBondContact O-CB 3.32Å; S200-A204 PolarHBondContact O-N 3.08Å
201Y50.3Low52.8Low134 Ų134105.3 Ų105.353%0.52555%0.55SS..Hα-helixtrans-72.8-37.6178.9-168.7-98.6000111.6Q198 A204 K205Q198-Y201 WeakPolarHBondContact O-CB 3.47Å; Q198-Y201 PolarHBondContact O-N 2.86Å; Y201-A204 PolarHBondContact O-N 3.09Å; Y201-K205 VanDerWaalsContact O-CB 3.32Å; Y201-K205 WeakPolarHBondContact O-CB 3.16Å; Y201-K205 PolarHBondContact O-N 3.16Å
202L56.5Low53Low89 Ų89101 Ų10147%0.46653%0.534SS..Hα-helixtrans-65.7-41.2171.8-73.7175.9000111.6L197 Q198 K205 W206L197-L202 HydrophobicContact CB-CD1 4.23Å; L197-L202 HydrophobicContact CD2-CD2 4.16Å; L197-L202 HydrophobicContact CD2-CG 4.42Å; Q198-L202 PolarHBondContact O-N 2.72Å; L202-K205 PolarHBondContact O-N 2.83Å; L202-W206 WeakPolarHBondContact O-CB 2.94Å; L202-W206 PolarHBondContact O-N 2.96Å
203L55Low53.1Low91 Ų9194.8 Ų94.848%0.47651%0.513SS..Hα-helixtrans-61.9-46.2174.1-81.6167.7000111.9P199 S200 K205 W206 E207P199-L203 WeakPolarHBondContact O-CB 3.33Å; P199-L203 WeakPolarHBondContact O-CG 3.36Å; P199-L203 PolarHBondContact O-N 2.92Å; S200-L203 PolarHBondContact O-N 3Å; L203-K205 PolarHBondContact O-N 3.43Å; L203-W206 CarbonylContact O-C 3.58Å; L203-W206 PolarHBondContact O-N 3.42Å; L203-W206 VanDerWaalsContact O-N 3.16Å; L203-E207 WeakPolarHBondContact O-CG 3.32Å; L203-E207 PolarHBondContact O-N 3.19Å
204A63.3Low53.6Low51 Ų5190.5 Ų90.542%0.42149%0.488SS..Hα-helixtrans-63.1-44.217800000112.1S200 Y201 W206 E207 C208S200-A204 WeakPolarHBondContact O-CB 3.32Å; S200-A204 PolarHBondContact O-N 3.08Å; Y201-A204 PolarHBondContact O-N 3.09Å; A204-W206 PolarHBondContact O-N 2.67Å; A204-E207 PolarHBondContact O-N 2.89Å; A204-C208 PolarHBondContact O-N 3.25Å
205K59.6Low53.6Low96 Ų9688.9 Ų88.942%0.41748%0.481SS..Hα-helixtrans-64.3-33.1175.4-168.1170.8-177.1177.90111.7Y201 L202 L203 L209Y201-K205 VanDerWaalsContact O-CB 3.32Å; Y201-K205 WeakPolarHBondContact O-CB 3.16Å; Y201-K205 PolarHBondContact O-N 3.16Å; L202-K205 PolarHBondContact O-N 2.83Å; L203-K205 PolarHBondContact O-N 3.43Å; K205-L209 WeakPolarHBondContact O-CG 3.05Å; K205-L209 PolarHBondContact O-N 3.47Å
206W61.1Low53Low65 Ų6589.4 Ų89.425%0.24648%0.478CS..Hα-helixtrans-77.4-38.3179.3-170.683.7000113L106 V110 L202 L203 A204 C208 L209 L210L106-W206 HydrophobicContact CB-CZ2 3.84Å; L106-W206 HydrophobicContact CD1-CZ2 4.36Å; L106-W206 HydrophobicContact CD2-CZ2 4.08Å; L106-W206 HydrophobicContact CG-CZ2 4.3Å; V110-W206 HydrophobicContact CB-CH2 4.4Å; V110-W206 HydrophobicContact CG2-CH2 3.35Å; V110-W206 HydrophobicContact CG2-CZ2 3.75Å; V110-W206 HydrophobicContact CG2-CZ3 3.83Å; L202-W206 WeakPolarHBondContact O-CB 2.94Å; L202-W206 PolarHBondContact O-N 2.96Å; L203-W206 CarbonylContact O-C 3.58Å; L203-W206 PolarHBondContact O-N 3.42Å; L203-W206 VanDerWaalsContact O-N 3.16Å; A204-W206 PolarHBondContact O-N 2.67Å; W206-C208 VanDerWaalsContact C-N 3.29Å; W206-C208 PolarHBondContact O-N 2.9Å; W206-L209 PolarHBondContact O-N 3.44Å; W206-L209 VanDerWaalsContact O-N 3.12Å; W206-L210 HydrophobicContact CH2-CD1 4.28Å; W206-L210 HydrophobicContact CH2-CD2 4.17Å; W206-L210 HydrophobicContact CZ2-CD1 4.43Å; W206-L210 HydrophobicContact CZ3-CD2 3.91Å; W206-L210 WeakPolarHBondContact O-CB 3.5Å; W206-L210 PolarHBondContact O-N 2.96Å
207E59.7Low52.8Low129 Ų12988.2 Ų88.260%0.60347%0.472SS*.Hα-helixtrans-60-40.9171.6-75.9-175159.800110.9L203 A204 L209 L210 Q211L203-E207 WeakPolarHBondContact O-CG 3.32Å; L203-E207 PolarHBondContact O-N 3.19Å; A204-E207 PolarHBondContact O-N 2.89Å; E207-L209 PolarHBondContact O-N 3.5Å; E207-L210 PolarHBondContact O-N 3.17Å; E207-Q211 WeakPolarHBondContact O-CB 3.03Å; E207-Q211 PolarHBondContact O-N 2.87Å
208C59.6Low52.3Low87 Ų8793.8 Ų93.859%0.58849%0.486SS*.Hα-helixtrans-60.1-43.4171.4-78.50000112.9A204 W206 Q211 S212A204-C208 PolarHBondContact O-N 3.25Å; W206-C208 VanDerWaalsContact C-N 3.29Å; W206-C208 PolarHBondContact O-N 2.9Å; C208-Q211 PolarHBondContact O-N 3.19Å; C208-S212 PolarHBondContact O-N 3.04Å; C208-S212 VanDerWaalsContact O-N 3.1Å; C208-S212 PolarHBondContact O-OG 2.9Å
209L55.7Low52.2Low101 Ų10194.9 Ų94.953%0.52950%0.5SS..Hα-helixtrans-68.5-35178-73.9169.3000112.7K205 W206 E207 S212 C213K205-L209 WeakPolarHBondContact O-CG 3.05Å; K205-L209 PolarHBondContact O-N 3.47Å; W206-L209 PolarHBondContact O-N 3.44Å; W206-L209 VanDerWaalsContact O-N 3.12Å; E207-L209 PolarHBondContact O-N 3.5Å; L209-S212 PolarHBondContact O-N 2.99Å; L209-C213 PolarHBondContact O-N 3.28Å; L209-C213 PolarHBondContact O-SG 2.68Å
210L60.9Low51.8Low36 Ų36106 Ų10619%0.18853%0.534CS..Hα-helixtrans-67.4-40.1176.4-16271.1000111L103 W206 E207 C213 Q214L103-L210 HydrophobicContact CD1-CD1 3.22Å; L103-L210 HydrophobicContact CD1-CG 4.21Å; W206-L210 HydrophobicContact CH2-CD1 4.28Å; W206-L210 HydrophobicContact CH2-CD2 4.17Å; W206-L210 HydrophobicContact CZ2-CD1 4.43Å; W206-L210 HydrophobicContact CZ3-CD2 3.91Å; W206-L210 WeakPolarHBondContact O-CB 3.5Å; W206-L210 PolarHBondContact O-N 2.96Å; E207-L210 PolarHBondContact O-N 3.17Å; L210-C213 PolarHBondContact O-N 3.35Å; L210-Q214 WeakPolarHBondContact O-CB 3.14Å; L210-Q214 PolarHBondContact O-N 2.97Å; L210-Q214 VanDerWaalsContact O-N 3.07Å
211Q58.3Low52Low111 Ų111107.2 Ų107.252%0.51953%0.532SS..Hα-helixtrans-62-45.2174.9-158.572.712.900110.8E207 C208 Q214 Q215E207-Q211 WeakPolarHBondContact O-CB 3.03Å; E207-Q211 PolarHBondContact O-N 2.87Å; C208-Q211 PolarHBondContact O-N 3.19Å; Q211-Q214 PolarHBondContact O-N 3.45Å; Q211-Q215 PolarHBondContact O-N 3.45Å; Q211-Q215 PolarHBondContact O-OE1 2.65Å
212S48.1Very low52.1Low72 Ų72105.8 Ų105.850%0.50353%0.533SS..Hα-helixtrans-65.7-38.9176.4-650000113.3C208 L209 Q214 Q215 D216C208-S212 PolarHBondContact O-N 3.04Å; C208-S212 VanDerWaalsContact O-N 3.1Å; C208-S212 PolarHBondContact O-OG 2.9Å; L209-S212 PolarHBondContact O-N 2.99Å; S212-Q214 VanDerWaalsContact C-N 3.31Å; S212-Q214 PolarHBondContact O-N 2.8Å; S212-Q215 PolarHBondContact O-N 2.9Å; S212-D216 PolarHBondContact O-N 3.34Å
213C46.6Very low51.8Low58 Ų58106.7 Ų106.739%0.39254%0.537SS..Hα-helixtrans-67.1-31.8176.5-72.70000112.7L209 L210 Q215 D216 S217L209-C213 PolarHBondContact O-N 3.28Å; L209-C213 PolarHBondContact O-SG 2.68Å; L210-C213 PolarHBondContact O-N 3.35Å; C213-Q215 VanDerWaalsContact C-N 3.28Å; C213-D216 PolarHBondContact O-N 2.96Å; C213-S217 PolarHBondContact O-N 3.37Å
214Q53.6Low51.6Low79 Ų79107.6 Ų107.637%0.36954%0.54SS..Hα-helixtrans-73.8-23.1178.2-158.1166.9111.900112.4L210 Q211 S212 S217L210-Q214 WeakPolarHBondContact O-CB 3.14Å; L210-Q214 PolarHBondContact O-N 2.97Å; L210-Q214 VanDerWaalsContact O-N 3.07Å; Q211-Q214 PolarHBondContact O-N 3.45Å; S212-Q214 VanDerWaalsContact C-N 3.31Å; S212-Q214 PolarHBondContact O-N 2.8Å; Q214-S217 PolarHBondContact O-OG 3.02Å
215Q47.2Very low50.9Low111 Ų111111.2 Ų111.252%0.51955%0.548SS..Hα-helixtrans-79.4-35.3173.4-75.5142.510.200111.8Q211 S212 C213 S217 R218Q211-Q215 PolarHBondContact O-N 3.45Å; Q211-Q215 PolarHBondContact O-OE1 2.65Å; S212-Q215 PolarHBondContact O-N 2.9Å; C213-Q215 VanDerWaalsContact C-N 3.28Å; Q215-S217 PolarHBondContact O-N 3.28Å; Q215-R218 PolarHBondContact O-N 3.25Å
216D38Very low50.3Low117 Ų117112.2 Ų112.263%0.62656%0.556SS**Hα-helixtrans-66.2-35.1175.7-161.6-95.4000112.6S212 C213 R218S212-D216 PolarHBondContact O-N 3.34Å; C213-D216 PolarHBondContact O-N 2.96Å; D216-R218 VanDerWaalsContact C-N 3.29Å; D216-R218 PolarHBondContact O-N 2.92Å
217S41.2Very low49.6Very low81 Ų81115.6 Ų115.657%0.56658%0.578SS**THydrogen-bonded Turntrans-78.3-6.2177.771.30000114.9C213 Q214 Q215C213-S217 PolarHBondContact O-N 3.37Å; Q214-S217 PolarHBondContact O-OG 3.02Å; Q215-S217 PolarHBondContact O-N 3.28Å
218R40.8Very low48.8Very low220 Ų220114.5 Ų114.583%0.8358%0.576SS**THydrogen-bonded Turntrans-95.1-7.6176.9-112.1-176.7-160.7-163.85.5113.6Q215 D216Q215-R218 PolarHBondContact O-N 3.25Å; D216-R218 VanDerWaalsContact C-N 3.29Å; D216-R218 PolarHBondContact O-N 2.92Å
219V44.6Very low47.9Very low129 Ų129116.8 Ų116.878%0.78258%0.576SS**  trans-107.88.3-176-174.50000111.8
220R39.6Very low47.2Very low287 Ų287118.3 Ų118.3100%1.08358%0.58SS**  trans-111.30170.1-80.6-177.9176.1-104.8-1.8111.5

Retrieved 220 of 220 residues in 29.1 ms (Link to these results)