A0A3Q0KQI6_SCHMA Loading...

RILP-like protein

AlphaFold DB (A0A5K4ESZ8), UniProt , Accession A0A3Q0KQI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.4Very low46.9Very low250 Ų250165.1 Ų165.1100%1.23285%0.848SS**  0109.20-74.8-166.9177.400108.1
2S45.1Very low46.7Very low116 Ų116159.1 Ų159.181%0.81183%0.832SS**  trans-64.2163.8175.4-42.10000111.4
3P46.4Very low46.4Very low109 Ų109160.8 Ų160.871%0.70883%0.832SS**  cis-147.4118.22135.6-11.6000116.2
4L48.6Very low46.1Very low171 Ų171157.5 Ų157.590%0.89583%0.826SS**SBendtrans-110.510.5157.1-85.9167.6000112.4S6L4-S6 PolarHBondContact O-N 3.4Å
5F51.3Low45.7Very low195 Ų195157.5 Ų157.586%0.85583%0.827SS**THydrogen-bonded Turntrans-85.65.7-172.3-107-90.5000115.6
6S53.4Low45.4Very low103 Ų103158.1 Ų158.172%0.7283%0.832SS**THydrogen-bonded Turntrans-96.7-8.5-174.3-81.80000116.1L4L4-S6 PolarHBondContact O-N 3.4Å
7L48.1Very low44.9Very low146 Ų146155.1 Ų155.176%0.76483%0.827SS**SBendtrans-95.7-13.7-178.3-89.1158.9000114.5
8Y45.2Very low44.7Very low219 Ų219153.2 Ų153.286%0.85982%0.824SS**THydrogen-bonded Turntrans-90.5-0.6-176.1-139.7-97.5000114.4
9K47Very low44.2Very low189 Ų189157.4 Ų157.482%0.82283%0.827SS**THydrogen-bonded Turntrans-101.39-176.3-149.8170.8-177.1178.80114.6
10L43.5Very low43.9Very low151 Ų151158.2 Ų158.279%0.79183%0.831SS**SBendtrans-104.9-0.1177.1-88.3160.4000114.1
11L42.7Very low43.7Very low167 Ų167157 Ų15787%0.87483%0.831SS**SBendtrans-105.311-179.4-103.687.6000114.9
12S44.4Very low43.3Very low93 Ų93155.8 Ų155.865%0.6581%0.812SS**  trans-138.291179.1-167.80000109
13H42.7Very low43Very low181 Ų181161.7 Ų161.784%0.83882%0.817SS**  trans-177.9115.6146.2-94.220.9000108.8
14P42.5Very low42.7Very low115 Ų115164.9 Ų164.975%0.74782%0.82SS**  trans-76.9158.6162.634.3-28.4000108.8
15D39.8Very low41.9Very low158 Ų158161.1 Ų161.185%0.84581%0.808SS**  trans72.286.4178.9-72.4-25.5000118.1
16N41.7Very low41.6Very low167 Ų167157.7 Ų157.789%0.89380%0.798SS**  -162.5113.6127-119.6-29000112.2
17S36.3Very low40.8Very low107 Ų107161.4 Ų161.475%0.74880%0.804SS**  trans-75.5157.7168.6-650000110.8
18P42.4Very low40.4Very low120 Ų120157.6 Ų157.678%0.77980%0.8SS**  -143130.4104.132-14.9000114.9
19R34.8Very low40.2Very low233 Ų233151.8 Ų151.888%0.87979%0.787SS**  trans30.4106.5132.8-63.3-178.9169-176.1-3.4117.6
20L37.4Very low39.7Very low173 Ų173149.8 Ų149.891%0.90679%0.785SS**  -179.7148.4124.4-95.4146.5000109.5
21T40.9Very low39.7Very low135 Ų135152 Ų15283%0.82879%0.789SS**SBendtrans92.994.3179.6-350000114.9R23T21-R23 PolarHBondContact O-N 3.24Å; T21-R23 VanDerWaalsContact O-N 3.1Å
22R35.8Very low39.4Very low223 Ų223150 Ų15084%0.84278%0.783SS**  trans-35.8107.6168.7-82174.7165171.3-5.7112
23R37.8Very low39.1Very low241 Ų241152.3 Ų152.391%0.90979%0.788SS**  trans-82.9111.2153.6-83.5-174.3173.7176.1-1.3107.6T21 S25T21-R23 PolarHBondContact O-N 3.24Å; T21-R23 VanDerWaalsContact O-N 3.1Å; R23-S25 PolarHBondContact O-N 3.38Å; R23-S25 VanDerWaalsContact O-N 3.16Å
24F40.5Very low38.9Very low176 Ų176149.4 Ų149.477%0.77278%0.782SS**  trans-67.1106.7155.9-84.9-83.8000107L26F24-L26 PolarHBondContact O-N 3.16Å
25S31.9Very low38.3Very low92 Ų92149.8 Ų149.864%0.64378%0.782SS**  trans-65.2110.7168.2-173.50000108.2R23R23-S25 PolarHBondContact O-N 3.38Å; R23-S25 VanDerWaalsContact O-N 3.16Å
26L44.2Very low38Very low122 Ų122148.2 Ų148.264%0.63977%0.773SS**  trans-111.631162.1-81.6164.6000109.5F24 G28 V29F24-L26 PolarHBondContact O-N 3.16Å; L26-G28 PolarHBondContact O-N 3Å; L26-G28 VanDerWaalsContact O-N 3.1Å; L26-V29 HydrophobicContact CD2-CG2 3.84Å
27E38.2Very low37.5Very low181 Ų181144.1 Ų144.185%0.84676%0.756SS**THydrogen-bonded Turntrans-7878.9159.6-104.690.8-153.800108
28G38.2Very low37.4Very low66 Ų66145.4 Ų145.468%0.6877%0.765SS**THydrogen-bonded Turntrans-178.5-16.8177.900000115.9L26L26-G28 PolarHBondContact O-N 3Å; L26-G28 VanDerWaalsContact O-N 3.1Å
29V41Very low37Very low98 Ų98147.7 Ų147.759%0.59477%0.765SS**SBendtrans-103.5-5.8-172.4-170.10000113L26 K31L26-V29 HydrophobicContact CD2-CG2 3.84Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.34Å; V29-K31 VanDerWaalsContact O-N 3.17Å
30N37.1Very low36.8Very low146 Ų146140.3 Ų140.378%0.78175%0.754SS**THydrogen-bonded Turntrans-85.722-172.9-66.4-32.2000115.4
31K44.1Very low36.7Very low199 Ų199140.7 Ų140.787%0.86576%0.756SS**THydrogen-bonded Turntrans-128.88.5-178.7-81.9-175.4177.61790116.3V29V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.34Å; V29-K31 VanDerWaalsContact O-N 3.17Å
32T36.1Very low36.4Very low123 Ų123139.4 Ų139.476%0.75575%0.753SS**SBendtrans-144.538-179.623.40000114
33L38.3Very low36.2Very low143 Ų143136.7 Ų136.775%0.74976%0.755SS**  trans-120.267.7161.2-151.769.6000109.9T35 L36L33-T35 PolarHBondContact O-N 2.89Å; L33-L36 HydrophobicContact CD1-CD1 3.66Å; L33-L36 HydrophobicContact CG-CD1 4.23Å
34V37.5Very low35.9Very low119 Ų119135.9 Ų135.972%0.72175%0.752SS**  trans-57.1122.7156.7169.10000107.1L36V34-L36 PolarHBondContact O-N 3.29Å
35T31.1Very low35.7Very low123 Ų123132.8 Ų132.876%0.75575%0.749SS**  trans31.981.2144.4-45.20000114.5L33 P37L33-T35 PolarHBondContact O-N 2.89Å; T35-P37 VanDerWaalsContact O-CD 3.31Å; T35-P37 WeakPolarHBondContact O-CD 3.31Å
36L32.8Very low36Very low125 Ų125133.9 Ų133.965%0.65476%0.757SS**  trans-82.6112.3159.8-93144.4000107.2L33 V34L33-L36 HydrophobicContact CD1-CD1 3.66Å; L33-L36 HydrophobicContact CG-CD1 4.23Å; V34-L36 PolarHBondContact O-N 3.29Å
37P31.1Very low36.2Very low81 Ų81133.1 Ų133.153%0.52676%0.757SS.*  trans-63.9147.3171.328.1-30.7000108.7T35 E39T35-P37 VanDerWaalsContact O-CD 3.31Å; T35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-E39 PolarHBondContact O-N 3.42Å
38S34.2Very low37.1Very low134 Ų134130.5 Ų130.594%0.93776%0.756SS**THydrogen-bonded Turntrans-63.929.5-178.5-133.30000114.6
39E33.7Very low38.8Very low169 Ų169130.9 Ų130.979%0.7975%0.749SS**THydrogen-bonded Turntrans-130.35.3-164.4-80.2176.1147.400115.3P37P37-E39 PolarHBondContact O-N 3.42Å
40A31.3Very low40.8Very low78 Ų78129.1 Ų129.165%0.64574%0.735SS**  trans-109.425.8-170.800000116.7
41L35.3Very low43.4Very low181 Ų181123.7 Ų123.795%0.94871%0.708SS**SBendtrans-118.938.1168.8-83.2173.4000112.3
42S33.4Very low45.6Very low108 Ų108115.3 Ų115.376%0.75567%0.674SS**SBendtrans-116.87.1176.2-167.40000114.1
43D31.6Very low48.1Very low166 Ų166115.6 Ų115.689%0.88867%0.67SS**  trans-130.640-165.6-13014.2000114
44R32.8Very low50.8Low224 Ų224111.7 Ų111.785%0.84565%0.65SS**SBendtrans-103124.6160.4-169.5173.2161.3-175.3-7.2106.1S46R44-S46 PolarHBondContact O-N 3.34Å
45P36Very low53.4Low110 Ų110106 Ų10671%0.71462%0.616SS**  trans-56.2119.6-176.524.5-32.1000107.1T47P45-T47 PolarHBondContact O-N 2.96Å
46S38.4Very low56.4Low116 Ų116103.6 Ų103.681%0.81159%0.593SS**  trans-58.786.4174.8170000107.9R44 P48R44-S46 PolarHBondContact O-N 3.34Å; S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.42Å; S46-P48 VanDerWaalsContact O-N 3.12Å
47T48.2Very low59.4Low105 Ų105102.6 Ų102.664%0.64459%0.588SS**  trans-58.5115157.348.90000104.5P45 S49P45-T47 PolarHBondContact O-N 2.96Å; T47-S49 PolarHBondContact O-N 3.37Å
48P57.3Low62.4Low126 Ų126102 Ų10282%0.81858%0.58SS**  trans-57.3112-178.522.9-31.2000106.9S46 I50S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.42Å; S46-P48 VanDerWaalsContact O-N 3.12Å; P48-I50 PolarHBondContact O-N 2.87Å
49S73.3Confident65.3Low75 Ų7595.6 Ų95.652%0.52454%0.536SS..  trans-70.9114.5-179.350.30000107.7T47 S51T47-S49 PolarHBondContact O-N 3.37Å; S49-S51 PolarHBondContact O-N 2.92Å
50I84.1Confident68.1Low61 Ų6189.2 Ų89.231%0.31351%0.512SS..  trans-70.6115.1172.4-165.3168.2000108.5P48 D54 V55 I58 L92P48-I50 PolarHBondContact O-N 2.87Å; I50-D54 HydrophobicContact CG1-CB 3.72Å; I50-V55 HydrophobicContact CD1-CG2 4.12Å; I50-V55 HydrophobicContact CG1-CG2 4.18Å; I50-I58 HydrophobicContact CD1-CD1 3.81Å; I50-L92 HydrophobicContact CD1-CD1 4.19Å; I50-L92 HydrophobicContact CD1-CD2 3.89Å; I50-L92 HydrophobicContact CD1-CG 4.23Å
51S89.9Confident71.2Confident31 Ų3188.9 Ų88.922%0.21751%0.505CS..  trans-83.6165.1172.770.30000110.5S49 L53 D54 V55S49-S51 PolarHBondContact O-N 2.92Å; S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.47Å; S51-D54 WeakPolarHBondContact CB-OD2 3.45Å; S51-D54 PolarHBondContact N-OD2 3.41Å; S51-D54 WeakPolarHBondContact O-CB 3.39Å; S51-D54 PolarHBondContact O-N 3.43Å; S51-D54 VanDerWaalsContact O-N 3.12Å; S51-D54 PolarHBondContact OG-N 3.39Å; S51-D54 PolarHBondContact OG-OD2 3.2Å; S51-V55 PolarHBondContact O-N 3.19Å
52V90.7Very high74Confident23 Ų2382.6 Ų82.614%0.13947%0.472CS..Hα-helixtrans-59.6-35.4174.6174.70000111.1D54 V55 Y56 A96 T97 E100V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.25Å; V52-V55 WeakPolarHBondContact O-CB 3.31Å; V52-V55 PolarHBondContact O-N 3.22Å; V52-Y56 HydrophobicContact CG1-CD2 3.92Å; V52-Y56 HydrophobicContact CG1-CE2 3.54Å; V52-Y56 WeakPolarHBondContact O-CD2 3.38Å; V52-Y56 PolarHBondContact O-N 2.87Å; V52-A96 HydrophobicContact CG2-CB 3.96Å; V52-T97 HydrophobicContact CG2-CG2 3.47Å; V52-T97 VanDerWaalsContact CG2-CG2 3.47Å; V52-E100 PolarHBondContact N-OE1 3.33Å
53L90.2Very high76.8Confident129 Ų12978.1 Ų78.168%0.67544%0.442SS*.Hα-helixtrans-61.1-41.7175.3-76158.8000112.1S51 V55 Y56 D57S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.47Å; L53-V55 PolarHBondContact O-N 3.47Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 3.24Å; L53-Y56 VanDerWaalsContact O-N 3.09Å; L53-D57 PolarHBondContact O-N 3.09Å
54D93Very high79.8Confident62 Ų6277.1 Ų77.133%0.33243%0.43SS..Hα-helixtrans-62.4-35177-58.8-52.5000111.2I50 S51 V52 D57 I58I50-D54 HydrophobicContact CG1-CB 3.72Å; S51-D54 WeakPolarHBondContact CB-OD2 3.45Å; S51-D54 PolarHBondContact N-OD2 3.41Å; S51-D54 WeakPolarHBondContact O-CB 3.39Å; S51-D54 PolarHBondContact O-N 3.43Å; S51-D54 VanDerWaalsContact O-N 3.12Å; S51-D54 PolarHBondContact OG-N 3.39Å; S51-D54 PolarHBondContact OG-OD2 3.2Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.25Å; D54-D57 PolarHBondContact O-N 3.43Å; D54-I58 WeakPolarHBondContact O-CB 3.27Å; D54-I58 WeakPolarHBondContact O-CD1 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.08Å; D54-I58 PolarHBondContact O-N 2.87Å
55V94Very high82.7Confident0 Ų072.4 Ų72.40%042%0.417CS..Hα-helixtrans-64.4-41.1174.2-176.50000111.3I50 S51 V52 L53 I58 A59 L89 L92 E93 A96I50-V55 HydrophobicContact CD1-CG2 4.12Å; I50-V55 HydrophobicContact CG1-CG2 4.18Å; S51-V55 PolarHBondContact O-N 3.19Å; V52-V55 WeakPolarHBondContact O-CB 3.31Å; V52-V55 PolarHBondContact O-N 3.22Å; L53-V55 PolarHBondContact O-N 3.47Å; V55-I58 PolarHBondContact O-N 2.88Å; V55-A59 VanDerWaalsContact O-CB 3.3Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.44Å; V55-L89 HydrophobicContact CG1-CD2 4.38Å; V55-L92 HydrophobicContact CG1-CB 4.42Å; V55-L92 HydrophobicContact CG1-CD2 4.23Å; V55-L92 HydrophobicContact CG1-CG 4.34Å; V55-L92 HydrophobicContact CG2-CD2 4.02Å; V55-L92 HydrophobicContact CG2-CG 3.81Å; V55-E93 HydrophobicContact CG1-CB 4.31Å; V55-A96 HydrophobicContact CG2-CB 3.97Å
56Y94.1Very high85.5Confident71 Ų7167.9 Ų67.928%0.27839%0.387SS..Hα-helixtrans-65.5-39175.4-78.7-76.7000112.3V52 L53 A59 A60 E93 V413V52-Y56 HydrophobicContact CG1-CD2 3.92Å; V52-Y56 HydrophobicContact CG1-CE2 3.54Å; V52-Y56 WeakPolarHBondContact O-CD2 3.38Å; V52-Y56 PolarHBondContact O-N 2.87Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 3.24Å; L53-Y56 VanDerWaalsContact O-N 3.09Å; Y56-A59 PolarHBondContact O-N 2.94Å; Y56-A60 WeakPolarHBondContact O-CB 3.43Å; Y56-A60 PolarHBondContact O-N 3.25Å; Y56-E93 PolarHBondContact OH-OE1 2.84Å; Y56-V413 HydrophobicContact CE1-CG2 4.25Å
57D94.9Very high88Confident104 Ų10466.6 Ų66.656%0.55637%0.368SS*.Hα-helixtrans-67.4-39.9176.6-73.1-24.3000112.1L53 D54 A60 S61L53-D57 PolarHBondContact O-N 3.09Å; D54-D57 PolarHBondContact O-N 3.43Å; D57-A60 PolarHBondContact O-N 3.49Å; D57-S61 WeakPolarHBondContact O-CB 3.5Å; D57-S61 PolarHBondContact O-N 3.5Å; D57-S61 PolarHBondContact O-OG 3.37Å
58I93.5Very high90.2Very high68 Ų6863.5 Ų63.535%0.34935%0.351SS..Hα-helixtrans-63.2-46.7172.5-68.1162.5000110.1I50 D54 V55 A60 S61 I62 L89I50-I58 HydrophobicContact CD1-CD1 3.81Å; D54-I58 WeakPolarHBondContact O-CB 3.27Å; D54-I58 WeakPolarHBondContact O-CD1 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.08Å; D54-I58 PolarHBondContact O-N 2.87Å; V55-I58 PolarHBondContact O-N 2.88Å; I58-A60 VanDerWaalsContact C-N 3.34Å; I58-A60 PolarHBondContact O-N 2.92Å; I58-S61 PolarHBondContact O-N 3Å; I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 HydrophobicContact CG2-CG1 4.39Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.27Å; I58-L89 HydrophobicContact CG2-CD2 4.3Å
59A95Very high91.9Very high1 Ų160.5 Ų60.51%0.00833%0.327CS..Hα-helixtrans-61.5-40.3178.300000112.3V55 Y56 I62 G63 L89V55-A59 VanDerWaalsContact O-CB 3.3Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.44Å; Y56-A59 PolarHBondContact O-N 2.94Å; A59-I62 PolarHBondContact O-N 2.85Å; A59-G63 PolarHBondContact O-N 3.17Å; A59-L89 HydrophobicContact CB-CD1 3.83Å; A59-L89 HydrophobicContact CB-CD2 4.33Å
60A93.8Very high92.8Very high35 Ų3558.4 Ų58.429%0.28931%0.31SS..Hα-helixtrans-65.5-39.8175.900000112.1Y56 D57 I58 G63 K64Y56-A60 WeakPolarHBondContact O-CB 3.43Å; Y56-A60 PolarHBondContact O-N 3.25Å; D57-A60 PolarHBondContact O-N 3.49Å; I58-A60 VanDerWaalsContact C-N 3.34Å; I58-A60 PolarHBondContact O-N 2.92Å; A60-G63 PolarHBondContact O-N 3.41Å; A60-K64 WeakPolarHBondContact O-CG 3.4Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.15Å
61S94.8Very high93.2Very high71 Ų7161.2 Ų61.250%0.49733%0.325SS..Hα-helixtrans-65.1-45176.1-58.10000111.3D57 I58 G63 K64 E65D57-S61 WeakPolarHBondContact O-CB 3.5Å; D57-S61 PolarHBondContact O-N 3.5Å; D57-S61 PolarHBondContact O-OG 3.37Å; I58-S61 PolarHBondContact O-N 3Å; S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.19Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-E65 PolarHBondContact O-N 3.14Å
62I94Very high93.4Very high49 Ų4966.7 Ų66.725%0.25135%0.345SS..Hα-helixtrans-62.7-40.3174.5-68.9169000111.2I58 A59 K64 E65 F66 V85 L89I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 HydrophobicContact CG2-CG1 4.39Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.27Å; A59-I62 PolarHBondContact O-N 2.85Å; I62-K64 PolarHBondContact O-N 3.5Å; I62-E65 PolarHBondContact O-N 2.96Å; I62-F66 HydrophobicContact CG2-CD2 3.67Å; I62-F66 HydrophobicContact CG2-CE2 3.39Å; I62-F66 HydrophobicContact CG2-CZ 4.2Å; I62-F66 PolarHBondContact O-N 3.35Å; I62-V85 HydrophobicContact CD1-CG1 4.43Å; I62-V85 HydrophobicContact CG2-CG1 3.92Å; I62-L89 HydrophobicContact CD1-CD1 4.42Å; I62-L89 HydrophobicContact CD1-CD2 4.25Å
63G93.3Very high93.5Very high13 Ų1373.8 Ų73.813%0.13437%0.37CS..Hα-helixtrans-58.5-43.5177.500000112.8A59 A60 S61 E65 F66 E67A59-G63 PolarHBondContact O-N 3.17Å; A60-G63 PolarHBondContact O-N 3.41Å; S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.19Å; G63-E65 VanDerWaalsContact C-N 3.34Å; G63-E65 PolarHBondContact O-N 3.04Å; G63-F66 PolarHBondContact O-N 3.41Å; G63-E67 PolarHBondContact O-N 2.92Å
64K94.1Very high93.4Very high146 Ų14668.8 Ų68.864%0.63535%0.35SS*.Hα-helixtrans-62.6-38.4175.3-71.3176.2-179.4176.20112.8A60 S61 I62 E67 S68A60-K64 WeakPolarHBondContact O-CG 3.4Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.15Å; S61-K64 PolarHBondContact O-N 3.42Å; I62-K64 PolarHBondContact O-N 3.5Å; K64-E67 PolarHBondContact O-N 3.04Å; K64-S68 PolarHBondContact O-N 3.33Å
65E94.3Very high93.2Very high124 Ų12469.6 Ų69.658%0.57936%0.359SS*.Hα-helixtrans-67.4-40.3175.6-66.8-59.3148.300111.3S61 I62 G63 S68 I69S61-E65 PolarHBondContact O-N 3.14Å; I62-E65 PolarHBondContact O-N 2.96Å; G63-E65 VanDerWaalsContact C-N 3.34Å; G63-E65 PolarHBondContact O-N 3.04Å; E65-S68 PolarHBondContact O-N 3.47Å; E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.49Å; E65-I69 PolarHBondContact O-N 2.87Å
66F94Very high93.1Very high16 Ų1679.5 Ų79.57%0.0740%0.398CS..Hα-helixtrans-64.6-40.4174-75.5-42.5000112.9I62 G63 I69 I70 V78 L81 M82 V85I62-F66 HydrophobicContact CG2-CD2 3.67Å; I62-F66 HydrophobicContact CG2-CE2 3.39Å; I62-F66 HydrophobicContact CG2-CZ 4.2Å; I62-F66 PolarHBondContact O-N 3.35Å; G63-F66 PolarHBondContact O-N 3.41Å; F66-I69 HydrophobicContact CD1-CD1 4.44Å; F66-I69 PolarHBondContact O-N 3.47Å; F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.48Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.32Å; F66-V78 HydrophobicContact CB-CG1 4.43Å; F66-V78 HydrophobicContact CD1-CB 4.33Å; F66-V78 HydrophobicContact CD1-CG1 3.11Å; F66-V78 HydrophobicContact CD1-CG2 4.23Å; F66-V78 HydrophobicContact CE1-CG1 3.26Å; F66-V78 HydrophobicContact CG-CG1 3.84Å; F66-V78 HydrophobicContact CZ-CG1 4.07Å; F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE1-CG 4.35Å; F66-L81 HydrophobicContact CZ-CD2 4.38Å; F66-L81 HydrophobicContact CZ-CG 4.32Å; F66-M82 HydrophobicContact CB-CE 4.36Å; F66-M82 HydrophobicContact CD2-CE 4.37Å; F66-M82 HydrophobicContact CG-CE 4.31Å; F66-V85 HydrophobicContact CE2-CB 4.21Å; F66-V85 HydrophobicContact CE2-CG1 4.03Å; F66-V85 HydrophobicContact CE2-CG2 4.44Å; F66-V85 HydrophobicContact CZ-CB 4.17Å; F66-V85 HydrophobicContact CZ-CG1 4.32Å; F66-V85 HydrophobicContact CZ-CG2 3.92Å
67E92.3Very high92.8Very high89 Ų8979.5 Ų79.542%0.41641%0.408SS..Hα-helixtrans-56.8-50.3172.8-171.6175.9-163.800111G63 K64 I69 I70 D71G63-E67 PolarHBondContact O-N 2.92Å; K64-E67 PolarHBondContact O-N 3.04Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.89Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-I70 VanDerWaalsContact O-N 3.13Å; E67-D71 PolarHBondContact O-N 2.8Å
68S93.1Very high92.6Very high40 Ų4074.7 Ų74.728%0.2838%0.382SS..Hα-helixtrans-57.5-34.6175.6175.40000113.7K64 E65 K72K64-S68 PolarHBondContact O-N 3.33Å; E65-S68 PolarHBondContact O-N 3.47Å; S68-K72 WeakPolarHBondContact O-CD 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 2.84Å; S68-K72 PolarHBondContact OG-NZ 2.67Å
69I92.8Very high92.4Very high63 Ų6374.8 Ų74.832%0.32339%0.389SS..Hα-helixtrans-76.2-41.8176.8-65.5164000111E65 F66 E67 D71 K72 Y73 V78E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.49Å; E65-I69 PolarHBondContact O-N 2.87Å; F66-I69 HydrophobicContact CD1-CD1 4.44Å; F66-I69 PolarHBondContact O-N 3.47Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.89Å; I69-D71 VanDerWaalsContact C-N 3.32Å; I69-K72 PolarHBondContact O-N 2.95Å; I69-Y73 HydrophobicContact CG2-CD2 4.28Å; I69-Y73 PolarHBondContact O-N 2.97Å; I69-V78 HydrophobicContact CB-CG2 4.06Å; I69-V78 HydrophobicContact CG2-CG2 3.48Å; I69-V78 VanDerWaalsContact CG2-CG2 3.48Å
70I92.8Very high92.2Very high31 Ų3181.1 Ų81.116%0.15942%0.423CS..Hα-helixtrans-61.8-43.1177.7-69.1164.7000109.8F66 E67 K72 G74 P75 V78 M82 F421F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.48Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.32Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-I70 VanDerWaalsContact O-N 3.13Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 2.87Å; I70-G74 WeakPolarHBondContact O-CA 3.4Å; I70-G74 PolarHBondContact O-N 3.13Å; I70-P75 HydrophobicContact CG2-CB 4.37Å; I70-V78 HydrophobicContact CG1-CG2 4.08Å; I70-M82 HydrophobicContact CD1-CE 4.27Å; I70-F421 HydrophobicContact CD1-CE1 4.49Å
71D93.4Very high92.1Very high120 Ų12083.9 Ų83.964%0.64243%0.432SS*.Hα-helixtrans-61.3-34.9177.7-72.8-13.1000113E67 I69E67-D71 PolarHBondContact O-N 2.8Å; I69-D71 VanDerWaalsContact C-N 3.32Å
72K93.8Very high91.9Very high146 Ų14681.4 Ų81.464%0.63541%0.413SS*.Hα-helixtrans-90.1-39.6-175.4-72.5171.2-175.8152.10114.3S68 I69 I70S68-K72 WeakPolarHBondContact O-CD 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 2.84Å; S68-K72 PolarHBondContact OG-NZ 2.67Å; I69-K72 PolarHBondContact O-N 2.95Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 2.87Å
73Y92.9Very high91.8Very high171 Ų17182.4 Ų82.467%0.67142%0.423SS*.Hα-helixtrans-121.43-169.3-60.2-83000113.3I69 S77I69-Y73 HydrophobicContact CG2-CD2 4.28Å; I69-Y73 PolarHBondContact O-N 2.97Å; Y73-S77 WeakPolarHBondContact CB-OG 3.33Å; Y73-S77 PolarHBondContact O-OG 3.3Å; Y73-S77 VanDerWaalsContact O-OG 3.1Å
74G88.2Confident91.9Very high24 Ų2488.8 Ų88.825%0.24745%0.447CS..  trans75.6166.7-175.800000113.9I70 Y76 S77I70-G74 WeakPolarHBondContact O-CA 3.4Å; I70-G74 PolarHBondContact O-N 3.13Å; G74-Y76 VanDerWaalsContact C-N 3.32Å; G74-Y76 PolarHBondContact O-N 3.46Å; G74-S77 PolarHBondContact O-N 2.92Å
75P88.9Confident91.9Very high79 Ų7983.4 Ų83.451%0.51343%0.426SS..G310 helixtrans-68.8-26.8-169.626.9-35.7000114I70 S77 V78 S79I70-P75 HydrophobicContact CG2-CB 4.37Å; P75-S77 PolarHBondContact O-N 2.91Å; P75-V78 PolarHBondContact O-N 3.41Å; P75-S79 PolarHBondContact O-N 3.06Å
76Y90.2Very high91.9Very high209 Ų20978.7 Ų78.782%0.8241%0.405SS*.G310 helixtrans-61.8-25.4-179.8-60.2-73.8000113.5G74 V78G74-Y76 VanDerWaalsContact C-N 3.32Å; G74-Y76 PolarHBondContact O-N 3.46Å; Y76-V78 PolarHBondContact O-N 2.99Å
77S89.8Confident91.9Very high71 Ų7180.6 Ų80.650%0.49742%0.42SS..G310 helixtrans-66.5-25.5-179.8-61.30000112.8Y73 G74 P75Y73-S77 WeakPolarHBondContact CB-OG 3.33Å; Y73-S77 PolarHBondContact O-OG 3.3Å; Y73-S77 VanDerWaalsContact O-OG 3.1Å; G74-S77 PolarHBondContact O-N 2.92Å; P75-S77 PolarHBondContact O-N 2.91Å
78V90.4Very high92.1Very high3 Ų380.7 Ų80.72%0.01843%0.426CS..THydrogen-bonded Turntrans-114.6-16.9-173.1-166.10000112.8F66 I69 I70 P75 Y76 N80 L81 M82F66-V78 HydrophobicContact CB-CG1 4.43Å; F66-V78 HydrophobicContact CD1-CB 4.33Å; F66-V78 HydrophobicContact CD1-CG1 3.11Å; F66-V78 HydrophobicContact CD1-CG2 4.23Å; F66-V78 HydrophobicContact CE1-CG1 3.26Å; F66-V78 HydrophobicContact CG-CG1 3.84Å; F66-V78 HydrophobicContact CZ-CG1 4.07Å; I69-V78 HydrophobicContact CB-CG2 4.06Å; I69-V78 HydrophobicContact CG2-CG2 3.48Å; I69-V78 VanDerWaalsContact CG2-CG2 3.48Å; I70-V78 HydrophobicContact CG1-CG2 4.08Å; P75-V78 PolarHBondContact O-N 3.41Å; Y76-V78 PolarHBondContact O-N 2.99Å; V78-N80 PolarHBondContact O-N 3.33Å; V78-L81 PolarHBondContact O-N 3.41Å; V78-M82 HydrophobicContact CB-CE 4.34Å; V78-M82 HydrophobicContact CG1-CB 4.04Å; V78-M82 HydrophobicContact CG1-CE 3.68Å; V78-M82 PolarHBondContact O-N 3.26Å
79S88.7Confident92.2Very high69 Ų6979 Ų7948%0.48341%0.414SS..THydrogen-bonded Turntrans-50.6-33.3-172.6-170.10000115.5P75 P83P75-S79 PolarHBondContact O-N 3.06Å; S79-P83 WeakPolarHBondContact O-CD 3.46Å
80N90.3Very high92.2Very high135 Ų13579.2 Ų79.272%0.72241%0.414SS*.THydrogen-bonded Turntrans-93.1-20.9-179.9-69.6-24.8000113.9V78V78-N80 PolarHBondContact O-N 3.33Å
81L92.4Very high92.3Very high92 Ų9283.3 Ų83.348%0.48243%0.432SS..THydrogen-bonded Turntrans-85.8-40.8-178.6177.558.8000111F66 V78 K84 V85F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE1-CG 4.35Å; F66-L81 HydrophobicContact CZ-CD2 4.38Å; F66-L81 HydrophobicContact CZ-CG 4.32Å; V78-L81 PolarHBondContact O-N 3.41Å; L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 3.07Å; L81-V85 HydrophobicContact CD1-CG2 4.08Å; L81-V85 HydrophobicContact CG-CG2 4.14Å; L81-V85 PolarHBondContact O-N 3.4Å
82M90.1Very high92.3Very high19 Ų1980 Ų809%0.09441%0.414CS..Hα-helixtrans-60.2-44.2-174.5173.9-174.6-65.600114.5F66 I70 V78 K84 V85 I86 F421F66-M82 HydrophobicContact CB-CE 4.36Å; F66-M82 HydrophobicContact CD2-CE 4.37Å; F66-M82 HydrophobicContact CG-CE 4.31Å; I70-M82 HydrophobicContact CD1-CE 4.27Å; V78-M82 HydrophobicContact CB-CE 4.34Å; V78-M82 HydrophobicContact CG1-CB 4.04Å; V78-M82 HydrophobicContact CG1-CE 3.68Å; V78-M82 PolarHBondContact O-N 3.26Å; M82-K84 PolarHBondContact O-N 3Å; M82-V85 PolarHBondContact O-N 3.43Å; M82-V85 VanDerWaalsContact O-N 3.13Å; M82-I86 HydrophobicContact CG-CD1 3.83Å; M82-I86 HydrophobicContact CG-CG1 4.38Å; M82-I86 VanDerWaalsContact O-CG1 3.3Å; M82-I86 WeakPolarHBondContact O-CG1 3.24Å; M82-I86 PolarHBondContact O-N 3.45Å; M82-F421 HydrophobicContact CE-CE1 3.88Å; M82-F421 HydrophobicContact CE-CE2 4.22Å; M82-F421 HydrophobicContact CE-CZ 3.28Å; M82-F421 HydrophobicContact SD-CE1 3.84Å; M82-F421 HydrophobicContact SD-CE2 3.35Å; M82-F421 WeakPolarHBondContact SD-CE2 3.43Å; M82-F421 HydrophobicContact SD-CZ 2.98Å; M82-F421 WeakPolarHBondContact SD-CZ 3.37Å
83P92.6Very high92.3Very high71 Ų7174.3 Ų74.346%0.46139%0.39SS..Hα-helixtrans-57.4-36.6174.1-25.234.9000112.5S79 I86 S87S79-P83 WeakPolarHBondContact O-CD 3.46Å; P83-I86 PolarHBondContact O-N 3.13Å; P83-S87 PolarHBondContact O-N 2.89Å; P83-S87 PolarHBondContact O-OG 3.43Å; P83-S87 VanDerWaalsContact O-OG 3.05Å
84K94.4Very high92.3Very high147 Ų14770.4 Ų70.464%0.63938%0.38SS*.Hα-helixtrans-68.9-40.8177.6-58.4-177.7-180-174.50111.9L81 M82 S87 V88L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 3.07Å; M82-K84 PolarHBondContact O-N 3Å; K84-S87 PolarHBondContact O-N 3.46Å; K84-V88 WeakPolarHBondContact O-CG2 3.43Å; K84-V88 PolarHBondContact O-N 3.22Å
85V95.2Very high92.5Very high32 Ų3275.6 Ų75.619%0.19440%0.396CS..Hα-helixtrans-67.8-38.4176.7174.90000111I62 F66 L81 M82 V88 L89I62-V85 HydrophobicContact CD1-CG1 4.43Å; I62-V85 HydrophobicContact CG2-CG1 3.92Å; F66-V85 HydrophobicContact CE2-CB 4.21Å; F66-V85 HydrophobicContact CE2-CG1 4.03Å; F66-V85 HydrophobicContact CE2-CG2 4.44Å; F66-V85 HydrophobicContact CZ-CB 4.17Å; F66-V85 HydrophobicContact CZ-CG1 4.32Å; F66-V85 HydrophobicContact CZ-CG2 3.92Å; L81-V85 HydrophobicContact CD1-CG2 4.08Å; L81-V85 HydrophobicContact CG-CG2 4.14Å; L81-V85 PolarHBondContact O-N 3.4Å; M82-V85 PolarHBondContact O-N 3.43Å; M82-V85 VanDerWaalsContact O-N 3.13Å; V85-V88 PolarHBondContact O-N 2.95Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 2.83Å
86I93.3Very high92.6Very high26 Ų2671.8 Ų71.813%0.13337%0.372CS..Hα-helixtrans-60.4-47.9172.1-67.2168.2000109.9M82 P83 V88 L89 E90 F417M82-I86 HydrophobicContact CG-CD1 3.83Å; M82-I86 HydrophobicContact CG-CG1 4.38Å; M82-I86 VanDerWaalsContact O-CG1 3.3Å; M82-I86 WeakPolarHBondContact O-CG1 3.24Å; M82-I86 PolarHBondContact O-N 3.45Å; P83-I86 PolarHBondContact O-N 3.13Å; I86-V88 VanDerWaalsContact C-N 3.3Å; I86-V88 PolarHBondContact O-N 3.39Å; I86-L89 CarbonylContact O-C 3.6Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-L89 VanDerWaalsContact O-N 3.11Å; I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.47Å; I86-E90 VanDerWaalsContact O-CG 3.3Å; I86-E90 WeakPolarHBondContact O-CG 3.33Å; I86-E90 PolarHBondContact O-N 3.48Å; I86-F417 HydrophobicContact CD1-CB 4.01Å; I86-F417 HydrophobicContact CD1-CD2 4.08Å; I86-F417 HydrophobicContact CD1-CG 3.97Å; I86-F417 HydrophobicContact CG1-CD2 3.79Å; I86-F417 HydrophobicContact CG1-CE2 4.11Å; I86-F417 HydrophobicContact CG1-CG 4.17Å
87S94.6Very high92.7Very high56 Ų5662.8 Ų62.839%0.39234%0.339SS..Hα-helixtrans-58.5-39.4176.7-60.40000113P83 K84 E90 E91P83-S87 PolarHBondContact O-N 2.89Å; P83-S87 PolarHBondContact O-OG 3.43Å; P83-S87 VanDerWaalsContact O-OG 3.05Å; K84-S87 PolarHBondContact O-N 3.46Å; S87-E90 PolarHBondContact O-N 3.12Å; S87-E91 WeakPolarHBondContact O-CG 3.43Å; S87-E91 PolarHBondContact O-N 3.37Å
88V96.3Very high92.7Very high90 Ų9064.6 Ų64.655%0.54534%0.338SS..Hα-helixtrans-68.3-39175.6172.90000111.8K84 V85 I86 E91 L92K84-V88 WeakPolarHBondContact O-CG2 3.43Å; K84-V88 PolarHBondContact O-N 3.22Å; V85-V88 PolarHBondContact O-N 2.95Å; I86-V88 VanDerWaalsContact C-N 3.3Å; I86-V88 PolarHBondContact O-N 3.39Å; V88-E91 PolarHBondContact O-N 2.91Å; V88-L92 WeakPolarHBondContact O-CB 3.36Å; V88-L92 PolarHBondContact O-N 3.17Å
89L95.3Very high92.7Very high5 Ų569.4 Ų69.43%0.02636%0.359CS..Hα-helixtrans-68.8-34.8176.1-72.2171.3000112V55 I58 A59 I62 V85 I86 L92 E93 V413 F417V55-L89 HydrophobicContact CG1-CD2 4.38Å; I58-L89 HydrophobicContact CG2-CD2 4.3Å; A59-L89 HydrophobicContact CB-CD1 3.83Å; A59-L89 HydrophobicContact CB-CD2 4.33Å; I62-L89 HydrophobicContact CD1-CD1 4.42Å; I62-L89 HydrophobicContact CD1-CD2 4.25Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 2.83Å; I86-L89 CarbonylContact O-C 3.6Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-L89 VanDerWaalsContact O-N 3.11Å; L89-L92 PolarHBondContact O-N 3.5Å; L89-E93 WeakPolarHBondContact O-CB 3.23Å; L89-E93 PolarHBondContact O-N 2.82Å; L89-V413 HydrophobicContact CB-CG1 4.19Å; L89-V413 HydrophobicContact CD1-CG1 4.32Å; L89-F417 HydrophobicContact CD1-CE2 4.08Å; L89-F417 HydrophobicContact CD1-CZ 4.42Å
90E93Very high92.7Very high67 Ų6769 Ų6931%0.31335%0.349SS..Hα-helixtrans-65-47.9172.6-73.6172.9164.600110.8I86 S87 L92 E93 D94I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.47Å; I86-E90 VanDerWaalsContact O-CG 3.3Å; I86-E90 WeakPolarHBondContact O-CG 3.33Å; I86-E90 PolarHBondContact O-N 3.48Å; S87-E90 PolarHBondContact O-N 3.12Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.3Å; E90-E93 PolarHBondContact O-N 2.94Å; E90-D94 PolarHBondContact O-N 3.45Å
91E94.4Very high92.6Very high118 Ų11865 Ų6555%0.55133%0.332SS*.Hα-helixtrans-58.8-41.5173.6-74.7178.8-165.800111.3S87 V88 D94 F95S87-E91 WeakPolarHBondContact O-CG 3.43Å; S87-E91 PolarHBondContact O-N 3.37Å; V88-E91 PolarHBondContact O-N 2.91Å; E91-D94 WeakPolarHBondContact O-CB 3.39Å; E91-D94 PolarHBondContact O-N 3.49Å; E91-F95 HydrophobicContact CB-CE2 4.36Å; E91-F95 WeakPolarHBondContact O-CD2 3.5Å; E91-F95 PolarHBondContact O-N 3.32Å
92L94.3Very high92.5Very high51 Ų5165.7 Ų65.727%0.26733%0.332SS..Hα-helixtrans-67.3-39.1178.4-170.164.3000112.6I50 V55 V88 L89 E90 D94 F95 A96I50-L92 HydrophobicContact CD1-CD1 4.19Å; I50-L92 HydrophobicContact CD1-CD2 3.89Å; I50-L92 HydrophobicContact CD1-CG 4.23Å; V55-L92 HydrophobicContact CG1-CB 4.42Å; V55-L92 HydrophobicContact CG1-CD2 4.23Å; V55-L92 HydrophobicContact CG1-CG 4.34Å; V55-L92 HydrophobicContact CG2-CD2 4.02Å; V55-L92 HydrophobicContact CG2-CG 3.81Å; V88-L92 WeakPolarHBondContact O-CB 3.36Å; V88-L92 PolarHBondContact O-N 3.17Å; L89-L92 PolarHBondContact O-N 3.5Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.3Å; L92-D94 VanDerWaalsContact C-N 3.34Å; L92-F95 PolarHBondContact O-N 3.32Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.4Å
93E93.2Very high92.4Very high25 Ų2566 Ų6612%0.11734%0.341CS..Hα-helixtrans-61.4-43.7171.9-178.6174.1-156.900110.5V55 Y56 L89 E90 F95 A96 T97V55-E93 HydrophobicContact CG1-CB 4.31Å; Y56-E93 PolarHBondContact OH-OE1 2.84Å; L89-E93 WeakPolarHBondContact O-CB 3.23Å; L89-E93 PolarHBondContact O-N 2.82Å; E90-E93 PolarHBondContact O-N 2.94Å; E93-F95 PolarHBondContact O-N 3.27Å; E93-A96 PolarHBondContact O-N 2.87Å; E93-T97 HydrophobicContact CG-CG2 4.39Å; E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 VanDerWaalsContact O-CG2 3.25Å; E93-T97 WeakPolarHBondContact O-CG2 3.39Å; E93-T97 PolarHBondContact O-N 3.4Å; E93-T97 PolarHBondContact O-OG1 3.32Å
94D92.3Very high92.2Very high89 Ų8968.9 Ų68.948%0.47634%0.342SS..Hα-helixtrans-62.4-40.6174.9-80.9-11.9000112.2E90 E91 L92 T97 K98E90-D94 PolarHBondContact O-N 3.45Å; E91-D94 WeakPolarHBondContact O-CB 3.39Å; E91-D94 PolarHBondContact O-N 3.49Å; L92-D94 VanDerWaalsContact C-N 3.34Å; D94-T97 WeakPolarHBondContact CA-OG1 3.48Å; D94-T97 PolarHBondContact O-OG1 2.92Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 WeakPolarHBondContact O-CD 3.45Å; D94-K98 WeakPolarHBondContact O-CG 3.35Å; D94-K98 PolarHBondContact O-N 3.42Å
95F92.1Very high92.1Very high133 Ų13367.2 Ų67.258%0.58334%0.337SS*.Hα-helixtrans-67.9-44.1175.4-77.3-64.8000112.2E91 L92 E93 K98 F99E91-F95 HydrophobicContact CB-CE2 4.36Å; E91-F95 WeakPolarHBondContact O-CD2 3.5Å; E91-F95 PolarHBondContact O-N 3.32Å; L92-F95 PolarHBondContact O-N 3.32Å; E93-F95 PolarHBondContact O-N 3.27Å; F95-K98 PolarHBondContact O-N 2.93Å; F95-F99 WeakPolarHBondContact O-CB 3.32Å; F95-F99 PolarHBondContact O-N 3.11Å
96A92Very high91.9Very high0 Ų069.9 Ų69.90%035%0.349CS..Hα-helixtrans-64.6-43.2178.500000111.5V52 V55 L92 E93 F99 E100V52-A96 HydrophobicContact CG2-CB 3.96Å; V55-A96 HydrophobicContact CG2-CB 3.97Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.4Å; E93-A96 PolarHBondContact O-N 2.87Å; A96-F99 PolarHBondContact O-N 2.99Å; A96-E100 WeakPolarHBondContact O-CG 3.34Å; A96-E100 PolarHBondContact O-N 2.9Å
97T90.9Very high91.6Very high19 Ų1973.6 Ų73.612%0.11737%0.368CS..Hα-helixtrans-63.6-42176.152.80000112.3V52 E93 D94 E100 S101V52-T97 HydrophobicContact CG2-CG2 3.47Å; V52-T97 VanDerWaalsContact CG2-CG2 3.47Å; E93-T97 HydrophobicContact CG-CG2 4.39Å; E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 VanDerWaalsContact O-CG2 3.25Å; E93-T97 WeakPolarHBondContact O-CG2 3.39Å; E93-T97 PolarHBondContact O-N 3.4Å; E93-T97 PolarHBondContact O-OG1 3.32Å; D94-T97 WeakPolarHBondContact CA-OG1 3.48Å; D94-T97 PolarHBondContact O-OG1 2.92Å; T97-E100 PolarHBondContact O-N 3.47Å; T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 2.87Å
98K91.1Very high91.2Very high110 Ų11075 Ų7548%0.47837%0.374SS..Hα-helixtrans-61.6-49.2174-76.1170.2-1731700110.9D94 F95 E100 S101 E102D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 WeakPolarHBondContact O-CD 3.45Å; D94-K98 WeakPolarHBondContact O-CG 3.35Å; D94-K98 PolarHBondContact O-N 3.42Å; F95-K98 PolarHBondContact O-N 2.93Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.36Å; K98-S101 WeakPolarHBondContact CA-OG 3.36Å; K98-S101 PolarHBondContact O-N 2.89Å; K98-S101 PolarHBondContact O-OG 3.25Å; K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.17Å
99F89.9Confident91Very high104 Ų10475.2 Ų75.246%0.45637%0.372SS..Hα-helixtrans-57.4-43.5178-175.6-93.1000112.3F95 A96 G103F95-F99 WeakPolarHBondContact O-CB 3.32Å; F95-F99 PolarHBondContact O-N 3.11Å; A96-F99 PolarHBondContact O-N 2.99Å; F99-G103 PolarHBondContact O-N 3.13Å
100E88.4Confident90.7Very high59 Ų5980.7 Ų80.728%0.27640%0.398SS..Hα-helixtrans-65.2-37.8174.4-74.3-179.8-173.700112.8V52 A96 T97 K98 R104V52-E100 PolarHBondContact N-OE1 3.33Å; A96-E100 WeakPolarHBondContact O-CG 3.34Å; A96-E100 PolarHBondContact O-N 2.9Å; T97-E100 PolarHBondContact O-N 3.47Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.36Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å; E100-R104 PolarHBondContact O-NE 2.92Å
101S89.5Confident90.3Very high52 Ų5281.7 Ų81.736%0.36441%0.409SS..Hα-helixtrans-67.9-44.8177.169.90000112.4T97 K98 G103 R104 E105T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 2.87Å; K98-S101 WeakPolarHBondContact CA-OG 3.36Å; K98-S101 PolarHBondContact O-N 2.89Å; K98-S101 PolarHBondContact O-OG 3.25Å; S101-G103 VanDerWaalsContact C-N 3.35Å; S101-R104 WeakPolarHBondContact O-CB 3.42Å; S101-R104 PolarHBondContact O-N 2.92Å; S101-E105 PolarHBondContact O-N 2.93Å
102E90.6Very high90Very high106 Ų10677.9 Ų77.950%0.49540%0.397SS..Hα-helixtrans-64.5-40.8175.1-69.5173.4-170.800110.5K98 R104 E105 I106K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.17Å; E102-R104 PolarHBondContact O-N 3.3Å; E102-E105 PolarHBondContact O-N 3.41Å; E102-I106 WeakPolarHBondContact O-CB 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.95Å
103G87.8Confident89.5Confident27 Ų2779 Ų7928%0.27841%0.406SS..Hα-helixtrans-59.8-43.917400000112.6F99 S101 I106 I107F99-G103 PolarHBondContact O-N 3.13Å; S101-G103 VanDerWaalsContact C-N 3.35Å; G103-I106 PolarHBondContact O-N 2.96Å; G103-I107 VanDerWaalsContact O-CG1 3.32Å; G103-I107 WeakPolarHBondContact O-CG1 3.41Å; G103-I107 PolarHBondContact O-N 2.93Å; G103-I107 VanDerWaalsContact O-N 3.1Å
104R88.5Confident89.1Confident130 Ų13083.2 Ų83.249%0.49143%0.426SS..Hα-helixtrans-61.6-45.9172.8-77.7-178.4-73.2-116.4-7.6111.4E100 S101 E102 I106 I107 T108E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å; E100-R104 PolarHBondContact O-NE 2.92Å; S101-R104 WeakPolarHBondContact O-CB 3.42Å; S101-R104 PolarHBondContact O-N 2.92Å; E102-R104 PolarHBondContact O-N 3.3Å; R104-I106 PolarHBondContact O-N 3.36Å; R104-I107 PolarHBondContact O-N 3.13Å; R104-T108 WeakPolarHBondContact O-CG2 3.43Å; R104-T108 PolarHBondContact O-N 2.99Å
105E91.2Very high88.9Confident112 Ų11285.3 Ų85.352%0.52343%0.427SS..Hα-helixtrans-60.7-45.9178.5-171.6179.8168.400111.5S101 E102 I107 T108 L109S101-E105 PolarHBondContact O-N 2.93Å; E102-E105 PolarHBondContact O-N 3.41Å; E105-I107 VanDerWaalsContact C-N 3.31Å; E105-I107 PolarHBondContact O-N 3.43Å; E105-T108 WeakPolarHBondContact CA-OG1 3.5Å; E105-T108 PolarHBondContact O-N 3.43Å; E105-T108 PolarHBondContact O-OG1 2.93Å; E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 HydrophobicContact CG-CG 4.31Å; E105-L109 WeakPolarHBondContact O-CB 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.01Å; E105-L109 PolarHBondContact O-N 3.46Å
106I90.3Very high88.7Confident89 Ų8982.9 Ų82.946%0.45642%0.419SS..Hα-helixtrans-55.4-46.6175.6-71164.4000110.7E102 G103 R104 T108 L109 Q110E102-I106 WeakPolarHBondContact O-CB 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.95Å; G103-I106 PolarHBondContact O-N 2.96Å; R104-I106 PolarHBondContact O-N 3.36Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.28Å; I106-L109 PolarHBondContact O-N 2.98Å; I106-Q110 HydrophobicContact CG2-CG 4.27Å; I106-Q110 VanDerWaalsContact O-CB 3.32Å; I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3.25Å
107I87.6Confident88.3Confident103 Ų10388.6 Ų88.653%0.52845%0.446SS..Hα-helixtrans-62.7-41.8177.6-67.1165.1000110.9G103 R104 E105 T111G103-I107 VanDerWaalsContact O-CG1 3.32Å; G103-I107 WeakPolarHBondContact O-CG1 3.41Å; G103-I107 PolarHBondContact O-N 2.93Å; G103-I107 VanDerWaalsContact O-N 3.1Å; R104-I107 PolarHBondContact O-N 3.13Å; E105-I107 VanDerWaalsContact C-N 3.31Å; E105-I107 PolarHBondContact O-N 3.43Å; I107-T111 WeakPolarHBondContact O-CB 3.36Å; I107-T111 PolarHBondContact O-N 3.47Å; I107-T111 PolarHBondContact O-OG1 2.88Å
108T87.5Confident87.9Confident85 Ų8592.3 Ų92.352%0.52147%0.465SS..Hα-helixtrans-65.1-42177.462.30000112.2R104 E105 I106 T111 A112R104-T108 WeakPolarHBondContact O-CG2 3.43Å; R104-T108 PolarHBondContact O-N 2.99Å; E105-T108 WeakPolarHBondContact CA-OG1 3.5Å; E105-T108 PolarHBondContact O-N 3.43Å; E105-T108 PolarHBondContact O-OG1 2.93Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.28Å; T108-T111 PolarHBondContact O-N 3.33Å; T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.33Å
109L90.3Very high87.4Confident96 Ų9690.1 Ų90.150%0.50346%0.456SS..Hα-helixtrans-67-43.8177-72.6174.7000111.3E105 I106 T111 A112 V113E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 HydrophobicContact CG-CG 4.31Å; E105-L109 WeakPolarHBondContact O-CB 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.01Å; E105-L109 PolarHBondContact O-N 3.46Å; I106-L109 PolarHBondContact O-N 2.98Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.93Å; L109-A112 PolarHBondContact O-N 3.06Å; L109-V113 WeakPolarHBondContact O-CB 3.42Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3Å
110Q89.5Confident87.1Confident119 Ų11992.2 Ų92.256%0.55647%0.465SS*.Hα-helixtrans-57.8-44.5173.8-76.4174.2-17.700111.2I106 V113 H114I106-Q110 HydrophobicContact CG2-CG 4.27Å; I106-Q110 VanDerWaalsContact O-CB 3.32Å; I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3.25Å; Q110-V113 PolarHBondContact O-N 3.15Å; Q110-H114 WeakPolarHBondContact O-CB 3.3Å; Q110-H114 PolarHBondContact O-N 3.43Å
111T85Confident86.7Confident89 Ų8994 Ų9455%0.54648%0.476SS..Hα-helixtrans-64.4-41.7176-55.40000111.7I107 T108 L109 H114 R115I107-T111 WeakPolarHBondContact O-CB 3.36Å; I107-T111 PolarHBondContact O-N 3.47Å; I107-T111 PolarHBondContact O-OG1 2.88Å; T108-T111 PolarHBondContact O-N 3.33Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.93Å; T111-H114 PolarHBondContact O-N 3.35Å; T111-R115 WeakPolarHBondContact O-CB 3.26Å; T111-R115 PolarHBondContact O-N 3.49Å
112A87.8Confident86.4Confident37 Ų3797 Ų9731%0.30648%0.484SS..Hα-helixtrans-66.3-40.517800000112.4T108 L109 R115 L116T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.33Å; L109-A112 PolarHBondContact O-N 3.06Å; A112-R115 PolarHBondContact O-N 3.02Å; A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.28Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.82Å
113V84.4Confident86Confident75 Ų7597 Ų9746%0.45548%0.479SS..Hα-helixtrans-61.8-51.7174.5168.80000109.9L109 Q110 R115 L116 E117L109-V113 WeakPolarHBondContact O-CB 3.42Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3Å; Q110-V113 PolarHBondContact O-N 3.15Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 2.63Å; V113-L116 PolarHBondContact O-N 3.36Å; V113-E117 HydrophobicContact CG1-CG 4.3Å; V113-E117 WeakPolarHBondContact O-CG 3.46Å; V113-E117 PolarHBondContact O-N 2.86Å
114H85Confident85.8Confident114 Ų114102 Ų10253%0.52849%0.494SS..Hα-helixtrans-56.7-42.1177.4-177.7-96.8000111.9Q110 T111 E117 L118Q110-H114 WeakPolarHBondContact O-CB 3.3Å; Q110-H114 PolarHBondContact O-N 3.43Å; T111-H114 PolarHBondContact O-N 3.35Å; H114-E117 PolarHBondContact O-N 3.33Å; H114-L118 WeakPolarHBondContact O-CG 3.48Å; H114-L118 PolarHBondContact O-N 2.9Å; H114-L118 VanDerWaalsContact O-N 3.13Å
115R87.7Confident85.7Confident133 Ų133100.6 Ų100.650%0.50249%0.493SS..Hα-helixtrans-61.4-46.3174.1-172.6-168.867.372.12.1112.3T111 A112 V113 E117 L118 E119T111-R115 WeakPolarHBondContact O-CB 3.26Å; T111-R115 PolarHBondContact O-N 3.49Å; A112-R115 PolarHBondContact O-N 3.02Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 2.63Å; R115-E117 VanDerWaalsContact C-N 3.34Å; R115-L118 PolarHBondContact O-N 3.41Å; R115-E119 IonicContact CZ-OE2 3.91Å; R115-E119 IonicContact NH1-OE2 2.82Å; R115-E119 PolarHBondContact NH1-OE2 3.46Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 PolarHBondContact O-N 3.32Å
116L87.2Confident85Confident81 Ų8197.6 Ų97.642%0.42448%0.48SS..Hα-helixtrans-67.4-33.7-179.9-75.7171.4000112.6A112 V113 K120A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.28Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.82Å; V113-L116 PolarHBondContact O-N 3.36Å; L116-K120 VanDerWaalsContact O-CB 3.25Å; L116-K120 WeakPolarHBondContact O-CB 3.43Å; L116-K120 PolarHBondContact O-N 2.94Å
117E85Confident84.5Confident120 Ų12099.8 Ų99.856%0.56149%0.488SS*.Hα-helixtrans-64.5-44.5173.9-73.8177.9161.400111.4V113 H114 R115 K120 L121V113-E117 HydrophobicContact CG1-CG 4.3Å; V113-E117 WeakPolarHBondContact O-CG 3.46Å; V113-E117 PolarHBondContact O-N 2.86Å; H114-E117 PolarHBondContact O-N 3.33Å; R115-E117 VanDerWaalsContact C-N 3.34Å; E117-K120 PolarHBondContact O-N 2.82Å; E117-L121 PolarHBondContact O-N 3.46Å
118L80.9Confident84.4Confident98 Ų9898.7 Ų98.751%0.51348%0.484SS..Hα-helixtrans-62.4-47.4173.3-71.2174.5000112H114 R115 K120 L121 E122H114-L118 WeakPolarHBondContact O-CG 3.48Å; H114-L118 PolarHBondContact O-N 2.9Å; H114-L118 VanDerWaalsContact O-N 3.13Å; R115-L118 PolarHBondContact O-N 3.41Å; L118-K120 PolarHBondContact O-N 3.35Å; L118-L121 WeakPolarHBondContact O-CB 3.27Å; L118-L121 PolarHBondContact O-N 2.95Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-E122 PolarHBondContact O-N 3.31Å
119E81.2Confident84.2Confident64 Ų64100.3 Ų100.330%0.29948%0.48SS..Hα-helixtrans-62.3-33.6178.2-158.7-167.2135.900111.7R115 R123R115-E119 IonicContact CZ-OE2 3.91Å; R115-E119 IonicContact NH1-OE2 2.82Å; R115-E119 PolarHBondContact NH1-OE2 3.46Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 PolarHBondContact O-N 3.32Å; E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 VanDerWaalsContact O-CG 3.27Å; E119-R123 WeakPolarHBondContact O-CG 3.44Å; E119-R123 PolarHBondContact O-N 2.93Å; E119-R123 PolarHBondContact O-NH1 2.93Å; E119-R123 IonicContact OE1-CZ 3.82Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.8Å; E119-R123 PolarHBondContact OE1-NE 3.27Å; E119-R123 VanDerWaalsContact OE1-NE 3.15Å; E119-R123 IonicContact OE1-NH2 2.67Å; E119-R123 PolarHBondContact OE1-NH2 2.73Å; E119-R123 IonicContact OE2-NH2 3.97Å
120K83.3Confident83.8Confident148 Ų148101 Ų10164%0.64348%0.481SS*.Hα-helixtrans-68.3-39.3173.8-176.4-176.8175.3-173.90112.4L116 E117 L118 R123 K124L116-K120 VanDerWaalsContact O-CB 3.25Å; L116-K120 WeakPolarHBondContact O-CB 3.43Å; L116-K120 PolarHBondContact O-N 2.94Å; E117-K120 PolarHBondContact O-N 2.82Å; L118-K120 PolarHBondContact O-N 3.35Å; K120-R123 VanDerWaalsContact CA-NH1 3.32Å; K120-K124 PolarHBondContact O-N 3.34Å
121L80.6Confident83.8Confident96 Ų96101.5 Ų101.550%0.50348%0.481SS..Hα-helixtrans-67-48176.7-170.8152.8000110.5E117 L118 R123 K124 E125E117-L121 PolarHBondContact O-N 3.46Å; L118-L121 WeakPolarHBondContact O-CB 3.27Å; L118-L121 PolarHBondContact O-N 2.95Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L121-R123 PolarHBondContact O-N 2.92Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-K124 VanDerWaalsContact O-N 3.12Å; L121-E125 HydrophobicContact CD2-CG 4.14Å; L121-E125 VanDerWaalsContact CD2-OE1 3.26Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.35Å; L121-E125 PolarHBondContact O-N 3.34Å
122E82.1Confident84.1Confident114 Ų114104.2 Ų104.253%0.53349%0.485SS..Hα-helixtrans-58.2-49.2177-173.5177.3-163.100111.6L118 K124 E125 D126L118-E122 PolarHBondContact O-N 3.31Å; E122-K124 VanDerWaalsContact C-N 3.25Å; E122-K124 PolarHBondContact O-N 3.3Å; E122-E125 WeakPolarHBondContact O-CB 3.4Å; E122-E125 PolarHBondContact O-N 3.45Å; E122-D126 PolarHBondContact O-N 2.94Å
123R83.4Confident84.1Confident106 Ų106107 Ų10740%0.449%0.492SS..Hα-helixtrans-57.8-35.8176-75.9-171.7-113.695.7-8.9113.1E119 K120 L121 Q127E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 VanDerWaalsContact O-CG 3.27Å; E119-R123 WeakPolarHBondContact O-CG 3.44Å; E119-R123 PolarHBondContact O-N 2.93Å; E119-R123 PolarHBondContact O-NH1 2.93Å; E119-R123 IonicContact OE1-CZ 3.82Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.8Å; E119-R123 PolarHBondContact OE1-NE 3.27Å; E119-R123 VanDerWaalsContact OE1-NE 3.15Å; E119-R123 IonicContact OE1-NH2 2.67Å; E119-R123 PolarHBondContact OE1-NH2 2.73Å; E119-R123 IonicContact OE2-NH2 3.97Å; K120-R123 VanDerWaalsContact CA-NH1 3.32Å; L121-R123 PolarHBondContact O-N 2.92Å; R123-Q127 WeakPolarHBondContact O-CB 3.48Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.13Å
124K83.5Confident84.3Confident132 Ų132108.1 Ų108.157%0.57450%0.495SS*.Hα-helixtrans-71.1-38.7176.6-175.8-175.7176.9-173.70111.5K120 L121 E122 N128K120-K124 PolarHBondContact O-N 3.34Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-K124 VanDerWaalsContact O-N 3.12Å; E122-K124 VanDerWaalsContact C-N 3.25Å; E122-K124 PolarHBondContact O-N 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 PolarHBondContact O-N 3.34Å; K124-N128 PolarHBondContact O-ND2 3.43Å
125E86.3Confident84.6Confident102 Ų102107 Ų10748%0.47749%0.49SS..Hα-helixtrans-64.6-43.3174.9-71.4-177.616800111.3L121 E122 N128 R129L121-E125 HydrophobicContact CD2-CG 4.14Å; L121-E125 VanDerWaalsContact CD2-OE1 3.26Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.35Å; L121-E125 PolarHBondContact O-N 3.34Å; E122-E125 WeakPolarHBondContact O-CB 3.4Å; E122-E125 PolarHBondContact O-N 3.45Å; E125-N128 CarbonylContact O-C 3.58Å; E125-N128 WeakPolarHBondContact O-CB 3.31Å; E125-N128 PolarHBondContact O-N 2.97Å; E125-N128 VanDerWaalsContact O-N 3.15Å; E125-R129 WeakPolarHBondContact O-CG 3.32Å; E125-R129 PolarHBondContact O-N 3.38Å
126D76.4Confident84.9Confident48 Ų48106.8 Ų106.826%0.25750%0.495SS..Hα-helixtrans-59.7-47.2175.3-68.69.1000111.6E122 N128 R129 H130E122-D126 PolarHBondContact O-N 2.94Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 3.07Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 VanDerWaalsContact O-N 3.12Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.15Å; D126-R129 PolarHBondContact OD1-NH1 3.39Å; D126-R129 IonicContact OD1-NH2 2.61Å; D126-R129 PolarHBondContact OD1-NH2 3.14Å; D126-R129 IonicContact OD2-NH2 2.67Å; D126-H130 PolarHBondContact O-CD2 3.47Å; D126-H130 PolarHBondContact O-N 2.82Å
127Q80.2Confident85.1Confident135 Ų135108.3 Ų108.363%0.63150%0.502SS*.Hα-helixtrans-57.6-41.7173.7-76.2173.8-6.100112R123 K131R123-Q127 WeakPolarHBondContact O-CB 3.48Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.13Å; Q127-K131 VanDerWaalsContact O-CB 3.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.25Å; Q127-K131 PolarHBondContact O-N 2.96Å
128N84.3Confident85.5Confident80 Ų80107.3 Ų107.343%0.42850%0.498SS..Hα-helixtrans-67.1-36.4176.2-77.4-21.3000112.4K124 E125 D126 K132K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 PolarHBondContact O-N 3.34Å; K124-N128 PolarHBondContact O-ND2 3.43Å; E125-N128 CarbonylContact O-C 3.58Å; E125-N128 WeakPolarHBondContact O-CB 3.31Å; E125-N128 PolarHBondContact O-N 2.97Å; E125-N128 VanDerWaalsContact O-N 3.15Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 3.07Å; N128-K132 WeakPolarHBondContact O-CG 3.43Å; N128-K132 PolarHBondContact O-N 3.36Å; N128-K132 VanDerWaalsContact O-N 3.11Å
129R85.1Confident86.1Confident119 Ų119109.1 Ų109.145%0.44950%0.503SS..Hα-helixtrans-64.9-49.8174.9-68.4-164.3-50.6-86.82.6110.8E125 D126 K131 K132 E133E125-R129 WeakPolarHBondContact O-CG 3.32Å; E125-R129 PolarHBondContact O-N 3.38Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 VanDerWaalsContact O-N 3.12Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.15Å; D126-R129 PolarHBondContact OD1-NH1 3.39Å; D126-R129 IonicContact OD1-NH2 2.61Å; D126-R129 PolarHBondContact OD1-NH2 3.14Å; D126-R129 IonicContact OD2-NH2 2.67Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.44Å; R129-K132 PolarHBondContact O-N 3.37Å; R129-K132 VanDerWaalsContact O-N 3.13Å; R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.98Å
130H81.1Confident86.8Confident112 Ų112109.3 Ų109.352%0.51951%0.509SS..Hα-helixtrans-62.2-36.8177.2-67.4-43.4000113D126 E133 L134D126-H130 PolarHBondContact O-CD2 3.47Å; D126-H130 PolarHBondContact O-N 2.82Å; H130-E133 IonicContact CE1-OE2 3.41Å; H130-E133 IonicContact ND1-OE2 2.94Å; H130-E133 PolarHBondContact ND1-OE2 2.93Å; H130-E133 PolarHBondContact O-N 2.74Å; H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.46Å
131K90.1Very high87.5Confident129 Ų129109.5 Ų109.556%0.56151%0.506SS*.Hα-helixtrans-60.8-45.6173.7-173.2-178.5178.8-162.90111.5Q127 R129 L134 E135Q127-K131 VanDerWaalsContact O-CB 3.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.25Å; Q127-K131 PolarHBondContact O-N 2.96Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.44Å; K131-L134 PolarHBondContact O-N 3.25Å; K131-E135 WeakPolarHBondContact CE-OE1 3.41Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CG 3.34Å; K131-E135 PolarHBondContact O-N 2.9Å
132K91Very high88.2Confident145 Ų145110.3 Ų110.363%0.6351%0.507SS*.Hα-helixtrans-65.4-40.5176.9-72.1175.9179.2-175.50112.6N128 R129 L134 E135 Q136N128-K132 WeakPolarHBondContact O-CG 3.43Å; N128-K132 PolarHBondContact O-N 3.36Å; N128-K132 VanDerWaalsContact O-N 3.11Å; R129-K132 PolarHBondContact O-N 3.37Å; R129-K132 VanDerWaalsContact O-N 3.13Å; K132-L134 VanDerWaalsContact C-N 3.31Å; K132-E135 PolarHBondContact O-N 3.39Å; K132-Q136 WeakPolarHBondContact O-CB 3.21Å; K132-Q136 PolarHBondContact O-N 2.85Å
133E86.8Confident88.9Confident96 Ų96107.4 Ų107.445%0.44950%0.499SS..Hα-helixtrans-61.5-41.7175-71.9168.3177.800111R129 H130 Q136 I137R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.98Å; H130-E133 IonicContact CE1-OE2 3.41Å; H130-E133 IonicContact ND1-OE2 2.94Å; H130-E133 PolarHBondContact ND1-OE2 2.93Å; H130-E133 PolarHBondContact O-N 2.74Å; E133-Q136 PolarHBondContact O-N 3.46Å; E133-I137 VanDerWaalsContact O-CG1 3.28Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.47Å
134L89.3Confident89.4Confident98 Ų98107.8 Ų107.851%0.51351%0.505SS..Hα-helixtrans-66.9-45.7177.1-168.3124.6000111.8H130 K131 K132 Q136 I137 E138H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.46Å; K131-L134 PolarHBondContact O-N 3.25Å; K132-L134 VanDerWaalsContact C-N 3.31Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 3.12Å; L134-E138 VanDerWaalsContact CD2-OE1 3.29Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.39Å; L134-E138 WeakPolarHBondContact O-CG 3.44Å; L134-E138 PolarHBondContact O-N 3.05Å
135E91Very high90.1Very high91 Ų91104.2 Ų104.243%0.42549%0.494SS..Hα-helixtrans-56.4-41.9173.2-74.5169.6-178.500111.3K131 K132 E138 E139K131-E135 WeakPolarHBondContact CE-OE1 3.41Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CG 3.34Å; K131-E135 PolarHBondContact O-N 2.9Å; K132-E135 PolarHBondContact O-N 3.39Å; E135-E138 PolarHBondContact O-N 3.47Å; E135-E139 WeakPolarHBondContact O-CB 3.5Å; E135-E139 PolarHBondContact O-N 2.61Å
136Q94.2Very high90.6Very high128 Ų128105 Ų10560%0.59850%0.498SS*.Hα-helixtrans-66.2-43.6177.1-173.9175.921.200112.2K132 E133 L134 E138 E139 T140K132-Q136 WeakPolarHBondContact O-CB 3.21Å; K132-Q136 PolarHBondContact O-N 2.85Å; E133-Q136 PolarHBondContact O-N 3.46Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.04Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E139 PolarHBondContact O-N 3.42Å; Q136-T140 WeakPolarHBondContact O-CG2 3.4Å; Q136-T140 PolarHBondContact O-N 3.45Å; Q136-T140 PolarHBondContact O-OG1 3.25Å
137I91.7Very high91.6Very high114 Ų114109 Ų10959%0.58552%0.515SS*.Hα-helixtrans-61.9-43.9176.1-69.5164.4000110.2E133 L134 E139 T140 W141E133-I137 VanDerWaalsContact O-CG1 3.28Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.47Å; L134-I137 PolarHBondContact O-N 3.12Å; I137-E139 PolarHBondContact O-N 3.5Å; I137-T140 WeakPolarHBondContact CA-OG1 3.4Å; I137-T140 PolarHBondContact O-N 3.26Å; I137-T140 PolarHBondContact O-OG1 2.86Å; I137-W141 WeakPolarHBondContact O-CB 3.22Å; I137-W141 PolarHBondContact O-N 3.26Å
138E93.6Very high92.4Very high99 Ų99107.5 Ų107.546%0.46351%0.511SS..Hα-helixtrans-60.1-44.7175.8-73.6177.5174.300111.8L134 E135 Q136 T140 W141 H142L134-E138 VanDerWaalsContact CD2-OE1 3.29Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.39Å; L134-E138 WeakPolarHBondContact O-CG 3.44Å; L134-E138 PolarHBondContact O-N 3.05Å; E135-E138 PolarHBondContact O-N 3.47Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 3.11Å; E138-W141 PolarHBondContact O-N 2.67Å; E138-H142 WeakPolarHBondContact O-CB 3.29Å; E138-H142 PolarHBondContact O-CD2 3.19Å; E138-H142 PolarHBondContact O-N 3.03Å
139E94Very high93Very high136 Ų136106.8 Ų106.864%0.63651%0.512SS*.Hα-helixtrans-62.6-42177.2-173.6174.3-16100112.2E135 Q136 I137 H142 S143E135-E139 WeakPolarHBondContact O-CB 3.5Å; E135-E139 PolarHBondContact O-N 2.61Å; Q136-E139 PolarHBondContact O-N 3.42Å; I137-E139 PolarHBondContact O-N 3.5Å; E139-H142 PolarHBondContact O-N 3.34Å; E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 3.46Å; E139-S143 PolarHBondContact O-OG 2.89Å
140T94.7Very high93.5Very high67 Ų67106.2 Ų106.241%0.41151%0.514SS..Hα-helixtrans-64.3-44.4175.157.30000111.8Q136 I137 E138 H142 S143 E144Q136-T140 WeakPolarHBondContact O-CG2 3.4Å; Q136-T140 PolarHBondContact O-N 3.45Å; Q136-T140 PolarHBondContact O-OG1 3.25Å; I137-T140 WeakPolarHBondContact CA-OG1 3.4Å; I137-T140 PolarHBondContact O-N 3.26Å; I137-T140 PolarHBondContact O-OG1 2.86Å; E138-T140 PolarHBondContact O-N 3.11Å; T140-H142 PolarHBondContact O-N 2.84Å; T140-S143 PolarHBondContact O-N 3.22Å; T140-E144 WeakPolarHBondContact O-CG 3.26Å; T140-E144 PolarHBondContact O-N 3.08Å
141W97.5Very high94.3Very high153 Ų153105.2 Ų105.258%0.5851%0.512SS*.Hα-helixtrans-64.2-40.7178.3-175.974.4000111.7I137 E138 E144 V145I137-W141 WeakPolarHBondContact O-CB 3.22Å; I137-W141 PolarHBondContact O-N 3.26Å; E138-W141 PolarHBondContact O-N 2.67Å; W141-E144 PolarHBondContact O-N 3.43Å; W141-V145 HydrophobicContact CD2-CG2 4.02Å; W141-V145 HydrophobicContact CE3-CG2 4.42Å; W141-V145 HydrophobicContact CH2-CG2 4.29Å; W141-V145 HydrophobicContact CZ2-CG2 3.86Å; W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 VanDerWaalsContact O-CG2 3.23Å; W141-V145 WeakPolarHBondContact O-CG2 3.35Å; W141-V145 PolarHBondContact O-N 2.67Å
142H97Very high94.5Very high113 Ų113103.4 Ų103.452%0.52351%0.508SS..Hα-helixtrans-61.7-42.9174-83-56.5000112.5E138 E139 T140 V145 Q146E138-H142 WeakPolarHBondContact O-CB 3.29Å; E138-H142 PolarHBondContact O-CD2 3.19Å; E138-H142 PolarHBondContact O-N 3.03Å; E139-H142 PolarHBondContact O-N 3.34Å; T140-H142 PolarHBondContact O-N 2.84Å; H142-V145 PolarHBondContact O-N 3.12Å; H142-Q146 WeakPolarHBondContact O-CB 3.43Å; H142-Q146 PolarHBondContact O-N 2.98Å
143S94.9Very high94.8Very high52 Ų52102.2 Ų102.236%0.36450%0.504SS..Hα-helixtrans-62.8-46.7177.1-57.60000111.3E139 T140 V145 Q146 E147E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 3.46Å; E139-S143 PolarHBondContact O-OG 2.89Å; T140-S143 PolarHBondContact O-N 3.22Å; S143-V145 PolarHBondContact O-N 3.07Å; S143-Q146 PolarHBondContact O-N 2.92Å; S143-E147 WeakPolarHBondContact O-CG 3.29Å; S143-E147 PolarHBondContact O-N 3.16Å
144E95.8Very high95.3Very high115 Ų115103.3 Ų103.354%0.53751%0.508SS..Hα-helixtrans-62.4-43.2177.1-72.1180-173.900112.3T140 W141 Q146 E147 L148T140-E144 WeakPolarHBondContact O-CG 3.26Å; T140-E144 PolarHBondContact O-N 3.08Å; W141-E144 PolarHBondContact O-N 3.43Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.93Å; E144-E147 PolarHBondContact O-N 3.35Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.46Å; E144-L148 PolarHBondContact O-N 3.04Å
145V97.4Very high95.6Very high56 Ų56102.5 Ų102.534%0.33950%0.504SS..Hα-helixtrans-62.9-39176.1169.70000111.1W141 H142 S143 S149W141-V145 HydrophobicContact CD2-CG2 4.02Å; W141-V145 HydrophobicContact CE3-CG2 4.42Å; W141-V145 HydrophobicContact CH2-CG2 4.29Å; W141-V145 HydrophobicContact CZ2-CG2 3.86Å; W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 VanDerWaalsContact O-CG2 3.23Å; W141-V145 WeakPolarHBondContact O-CG2 3.35Å; W141-V145 PolarHBondContact O-N 2.67Å; H142-V145 PolarHBondContact O-N 3.12Å; S143-V145 PolarHBondContact O-N 3.07Å; V145-S149 WeakPolarHBondContact O-CB 3.39Å; V145-S149 PolarHBondContact O-N 3.34Å; V145-S149 PolarHBondContact O-OG 2.77Å
146Q97.4Very high95.8Very high119 Ų119105.1 Ų105.156%0.55651%0.513SS*.Hα-helixtrans-66.9-45176.6-174.1179.21.200111.5H142 S143 E144 S149 Q150H142-Q146 WeakPolarHBondContact O-CB 3.43Å; H142-Q146 PolarHBondContact O-N 2.98Å; S143-Q146 PolarHBondContact O-N 2.92Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.93Å; Q146-S149 PolarHBondContact O-N 3.46Å; Q146-Q150 WeakPolarHBondContact O-CG 3.49Å; Q146-Q150 PolarHBondContact O-N 3.07Å
147E97.1Very high95.9Very high132 Ų132104 Ų10462%0.61751%0.509SS*.Hα-helixtrans-60.3-45.2175.7-74.1-178.8-175.500112S143 E144 S149 Q150 L151S143-E147 WeakPolarHBondContact O-CG 3.29Å; S143-E147 PolarHBondContact O-N 3.16Å; E144-E147 PolarHBondContact O-N 3.35Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 2.8Å; E147-Q150 PolarHBondContact O-N 3.42Å; E147-L151 WeakPolarHBondContact O-CB 3.12Å; E147-L151 PolarHBondContact O-N 3.35Å
148L96.1Very high96.1Very high104 Ų104102.6 Ų102.655%0.54550%0.499SS..Hα-helixtrans-63.7-38.4175.8-71.8174.4000112.1E144 L151 I152E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.46Å; E144-L148 PolarHBondContact O-N 3.04Å; L148-L151 PolarHBondContact O-N 2.94Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 2.86Å
149S96.4Very high96.1Very high65 Ų65102.9 Ų102.946%0.45550%0.504SS..Hα-helixtrans-64.1-45.2177-61.70000111.5V145 Q146 E147 L151 I152 E153V145-S149 WeakPolarHBondContact O-CB 3.39Å; V145-S149 PolarHBondContact O-N 3.34Å; V145-S149 PolarHBondContact O-OG 2.77Å; Q146-S149 PolarHBondContact O-N 3.46Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 2.8Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.96Å; S149-I152 PolarHBondContact O-N 3.36Å; S149-E153 PolarHBondContact O-N 3.48Å
150Q96.5Very high96.1Very high107 Ų107102.9 Ų102.950%0.550%0.502SS..Hα-helixtrans-62-40.1174.7-70.2174.323.600111.8Q146 E147 E153 K154Q146-Q150 WeakPolarHBondContact O-CG 3.49Å; Q146-Q150 PolarHBondContact O-N 3.07Å; E147-Q150 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact O-N 2.78Å; Q150-K154 WeakPolarHBondContact O-CB 3.45Å; Q150-K154 PolarHBondContact O-N 2.99Å
151L97.4Very high96.2Very high91 Ų91105.6 Ų105.648%0.47651%0.51SS..Hα-helixtrans-64.4-42176.7-178.961.5000112E147 L148 S149 K154 L155E147-L151 WeakPolarHBondContact O-CB 3.12Å; E147-L151 PolarHBondContact O-N 3.35Å; L148-L151 PolarHBondContact O-N 2.94Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.96Å; L151-K154 PolarHBondContact O-N 2.94Å; L151-L155 HydrophobicContact CD1-CD1 4.4Å; L151-L155 HydrophobicContact CD1-CG 4.44Å; L151-L155 HydrophobicContact CG-CD1 4.22Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.3Å
152I95.1Very high95.9Very high91 Ų91103.5 Ų103.547%0.46751%0.509SS..Hα-helixtrans-63.8-42.2175.8-70.5165.1000110.8L148 S149 L155 K156L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 2.86Å; S149-I152 PolarHBondContact O-N 3.36Å; I152-L155 PolarHBondContact O-N 2.95Å; I152-K156 HydrophobicContact CG2-CD 4.13Å; I152-K156 HydrophobicContact CG2-CG 4.46Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 VanDerWaalsContact O-CG 3.3Å; I152-K156 WeakPolarHBondContact O-CG 3.27Å; I152-K156 PolarHBondContact O-N 2.89Å
153E96.5Very high95.7Very high119 Ų119104 Ų10456%0.55651%0.51SS*.Hα-helixtrans-60.9-48.6177-171.5170.3-162.900111.1S149 Q150 L155 K156 E157S149-E153 PolarHBondContact O-N 3.48Å; Q150-E153 PolarHBondContact O-N 2.78Å; E153-L155 PolarHBondContact O-N 3.43Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 2.89Å; E153-K156 VanDerWaalsContact O-N 3.13Å; E153-E157 PolarHBondContact O-N 3.49Å
154K97Very high95.5Very high120 Ų120104.8 Ų104.852%0.52251%0.51SS..Hα-helixtrans-58.9-46175.6-173.5178.6178.1-178.50112.8Q150 L151 K156 E157 E158Q150-K154 WeakPolarHBondContact O-CB 3.45Å; Q150-K154 PolarHBondContact O-N 2.99Å; L151-K154 PolarHBondContact O-N 2.94Å; K154-K156 VanDerWaalsContact C-N 3.29Å; K154-K156 PolarHBondContact O-N 3.33Å; K154-E157 PolarHBondContact O-N 3.46Å; K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.84Å
155L96.1Very high95.3Very high81 Ų81101.4 Ų101.442%0.42450%0.502SS..Hα-helixtrans-65.2-32.6177.3-75.4172.9000112.3L151 I152 E153 N159L151-L155 HydrophobicContact CD1-CD1 4.4Å; L151-L155 HydrophobicContact CD1-CG 4.44Å; L151-L155 HydrophobicContact CG-CD1 4.22Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.3Å; I152-L155 PolarHBondContact O-N 2.95Å; E153-L155 PolarHBondContact O-N 3.43Å; L155-N159 WeakPolarHBondContact O-CB 3.47Å; L155-N159 PolarHBondContact O-N 2.94Å; L155-N159 PolarHBondContact O-ND2 2.82Å
156K96Very high94.8Very high145 Ų145103.4 Ų103.463%0.6351%0.51SS*.Hα-helixtrans-68.6-41.8174.2-79.1177.2175.9-179.60111.6I152 E153 K154 N159 K160I152-K156 HydrophobicContact CG2-CD 4.13Å; I152-K156 HydrophobicContact CG2-CG 4.46Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 VanDerWaalsContact O-CG 3.3Å; I152-K156 WeakPolarHBondContact O-CG 3.27Å; I152-K156 PolarHBondContact O-N 2.89Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 2.89Å; E153-K156 VanDerWaalsContact O-N 3.13Å; K154-K156 VanDerWaalsContact C-N 3.29Å; K154-K156 PolarHBondContact O-N 3.33Å; K156-N159 PolarHBondContact O-N 2.84Å; K156-K160 WeakPolarHBondContact O-CB 3.19Å; K156-K160 PolarHBondContact O-N 2.85Å
157E96.1Very high94.2Very high106 Ų106102.3 Ų102.350%0.49551%0.505SS..Hα-helixtrans-62.2-46.8174.3-71-179.5174.600111.7E153 K154 N159 K160 Q161E153-E157 PolarHBondContact O-N 3.49Å; K154-E157 PolarHBondContact O-N 3.46Å; E157-N159 PolarHBondContact O-N 3.22Å; E157-K160 WeakPolarHBondContact O-CB 3.4Å; E157-K160 PolarHBondContact O-N 3.26Å; E157-Q161 WeakPolarHBondContact O-CG 3.47Å; E157-Q161 PolarHBondContact O-N 3.38Å
158E95.9Very high93.5Very high84 Ų84101.3 Ų101.339%0.39350%0.504SS..Hα-helixtrans-61.3-44.3176.7-73.2177.8-17600111.7K154 K160 Q161 L162K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.84Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 2.83Å; E158-Q161 PolarHBondContact O-N 3.38Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.47Å; E158-L162 PolarHBondContact O-N 2.87Å
159N93.2Very high92.5Very high104 Ų104101.9 Ų101.956%0.55651%0.507SS*.Hα-helixtrans-62.9-37.9175.5-82.4-56000112.6L155 K156 E157 K163L155-N159 WeakPolarHBondContact O-CB 3.47Å; L155-N159 PolarHBondContact O-N 2.94Å; L155-N159 PolarHBondContact O-ND2 2.82Å; K156-N159 PolarHBondContact O-N 2.84Å; E157-N159 PolarHBondContact O-N 3.22Å; N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 PolarHBondContact O-N 3.08Å
160K95.1Very high91.4Very high137 Ų137105.2 Ų105.260%0.59652%0.516SS*.Hα-helixtrans-63.5-48.6174.4-176.1-171.7172.1-169.20110.7K156 E157 E158 L162 K163 D164K156-K160 WeakPolarHBondContact O-CB 3.19Å; K156-K160 PolarHBondContact O-N 2.85Å; E157-K160 WeakPolarHBondContact O-CB 3.4Å; E157-K160 PolarHBondContact O-N 3.26Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 2.83Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 2.72Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 3.28Å; K160-K163 VanDerWaalsContact O-N 3.13Å; K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.12Å
161Q95.3Very high90Very high123 Ų123103.8 Ų103.858%0.57552%0.522SS*.Hα-helixtrans-59-42.2177.7-70.8171.829.100112.1E157 E158 A165E157-Q161 WeakPolarHBondContact O-CG 3.47Å; E157-Q161 PolarHBondContact O-N 3.38Å; E158-Q161 PolarHBondContact O-N 3.38Å; Q161-A165 WeakPolarHBondContact O-CB 3.44Å; Q161-A165 PolarHBondContact O-N 3.23Å
162L92.4Very high88.2Confident109 Ų109104.3 Ų104.357%0.57153%0.534SS*.Hα-helixtrans-65.9-38.3176-71.8174.1000112.1E158 K160 A165 I166E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.47Å; E158-L162 PolarHBondContact O-N 2.87Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 2.72Å; L162-A165 PolarHBondContact O-N 2.91Å; L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.86Å
163K92.2Very high86.1Confident124 Ų124106.5 Ų106.554%0.53955%0.546SS..Hα-helixtrans-64.8-47.6176.4-167.5178.9-179.1-86.10111.3N159 K160 A165 I166 E167N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 PolarHBondContact O-N 3.08Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 3.28Å; K160-K163 VanDerWaalsContact O-N 3.13Å; K163-A165 VanDerWaalsContact C-N 3.3Å; K163-A165 PolarHBondContact O-N 3.39Å; K163-I166 PolarHBondContact O-N 3.46Å; K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.23Å
164D91.5Very high84Confident68 Ų68107.6 Ų107.636%0.36456%0.556SS.*Hα-helixtrans-59.5-42.5177.2-62.8-13.5000110.3K160 I166 E167 D168K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.12Å; D164-I166 PolarHBondContact O-N 3.46Å; D164-E167 PolarHBondContact O-N 3.45Å; D164-D168 PolarHBondContact O-N 3.25Å
165A90.9Very high81.5Confident45 Ų45110.7 Ų110.737%0.37257%0.572SS.*Hα-helixtrans-68-28.2177.600000114.6Q161 L162 K163 N169Q161-A165 WeakPolarHBondContact O-CB 3.44Å; Q161-A165 PolarHBondContact O-N 3.23Å; L162-A165 PolarHBondContact O-N 2.91Å; K163-A165 VanDerWaalsContact C-N 3.3Å; K163-A165 PolarHBondContact O-N 3.39Å; A165-N169 PolarHBondContact O-N 2.89Å; A165-N169 PolarHBondContact O-ND2 2.95Å
166I86.7Confident78.8Confident97 Ų97111.8 Ų111.850%0.49759%0.586SS.*Hα-helixtrans-73.2-44.8172.2-70.1165.9000109.6L162 K163 D164 D168 N169 E170L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.86Å; K163-I166 PolarHBondContact O-N 3.46Å; D164-I166 PolarHBondContact O-N 3.46Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.42Å; I166-N169 PolarHBondContact O-N 2.92Å; I166-E170 HydrophobicContact CG2-CG 4.27Å; I166-E170 WeakPolarHBondContact O-CG 3.23Å; I166-E170 PolarHBondContact O-N 2.96Å
167E84.9Confident76.4Confident96 Ų96109.6 Ų109.645%0.44959%0.587SS.*Hα-helixtrans-59.3-41.8176.8-71.9-179.8-168.700111.8K163 D164 N169 E170 A171K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.23Å; D164-E167 PolarHBondContact O-N 3.45Å; E167-N169 PolarHBondContact O-N 3.44Å; E167-E170 PolarHBondContact O-N 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.34Å
168D82.7Confident73.8Confident112 Ų112111.4 Ų111.460%0.59960%0.598SS**Hα-helixtrans-64.3-38.5175.6-75-19.5000112.9D164 I166 S172D164-D168 PolarHBondContact O-N 3.25Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.42Å; D168-S172 PolarHBondContact O-N 2.9Å; D168-S172 PolarHBondContact O-OG 3.48Å; D168-S172 VanDerWaalsContact O-OG 3.14Å
169N76Confident71.4Confident115 Ų115113.2 Ų113.262%0.61562%0.618SS**Hα-helixtrans-71-41.9176.1-89.6-62.6000112A165 I166 E167 A171 S172 N173A165-N169 PolarHBondContact O-N 2.89Å; A165-N169 PolarHBondContact O-ND2 2.95Å; I166-N169 PolarHBondContact O-N 2.92Å; E167-N169 PolarHBondContact O-N 3.44Å; N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 3.49Å; N169-S172 PolarHBondContact O-N 3.27Å; N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 2.74Å
170E72.9Confident68.6Low135 Ų135114.1 Ų114.163%0.63163%0.627SS**Hα-helixtrans-64.5-37.2176-73-173.9169.300111.5I166 E167 S172 N173I166-E170 HydrophobicContact CG2-CG 4.27Å; I166-E170 WeakPolarHBondContact O-CG 3.23Å; I166-E170 PolarHBondContact O-N 2.96Å; E167-E170 PolarHBondContact O-N 3.25Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.48Å; E170-N173 PolarHBondContact O-N 3.43Å
171A65.9Low65.6Low78 Ų78113.6 Ų113.665%0.64564%0.639SS**Hα-helixtrans-65.1-32.4174.700000113.1E167 N169E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.34Å; N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 3.49Å
172S59.3Low62.9Low102 Ų102113 Ų11371%0.71365%0.648SS**Hα-helixtrans-85.6-12.4-179.7-640000114.1D168 N169 E170 N174D168-S172 PolarHBondContact O-N 2.9Å; D168-S172 PolarHBondContact O-OG 3.48Å; D168-S172 VanDerWaalsContact O-OG 3.14Å; N169-S172 PolarHBondContact O-N 3.27Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.48Å; S172-N174 PolarHBondContact O-N 3.3Å
173N52.6Low60.2Low137 Ų137111.3 Ų111.373%0.73365%0.651SS**  trans-93.618.8-167.5-147.212.4000115.6N169 E170N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 2.74Å; E170-N173 PolarHBondContact O-N 3.43Å
174N51.1Low58.3Low141 Ų141111.3 Ų111.375%0.75466%0.656SS**SBendtrans-97.921.2-179-82.7-39.7000115.5S172S172-N174 PolarHBondContact O-N 3.3Å
175H44.6Very low56.7Low186 Ų186111.9 Ų111.986%0.86166%0.664SS**  trans-147.3110.6169.1-109-70.6000112.7
176S40.5Very low55.1Low103 Ų103113.7 Ų113.772%0.7267%0.67SS**  trans-83.4169160.4-141.20000109.4
177P44.6Very low54.3Low100 Ų100113.3 Ų113.365%0.64967%0.669SS**  cis-136.6164.24.234.6-13.3000116.5
178I42.4Very low54Low143 Ų143113.3 Ų113.373%0.73368%0.676SS**  trans22.6125.8143.5-49.7162.8000117.1
179P45.3Very low54Low123 Ų123114.8 Ų114.880%0.79968%0.679SS**  -126.2122.7117.44.416.5000112.7C181P179-C181 PolarHBondContact O-N 2.93Å
180T33.4Very low54.3Low122 Ų122115.2 Ų115.275%0.74868%0.677SS**  trans-45.6123.3144.8290000110.2
181C33Very low55Low126 Ų126112.9 Ų112.985%0.85167%0.668SS**  trans179140.7133.7-97.80000111.3P179P179-C181 PolarHBondContact O-N 2.93Å
182S38.9Very low56.1Low110 Ų110113.3 Ų113.377%0.76966%0.657SS**  trans81.692154-158.20000117.9
183A35.6Very low57.6Low75 Ų75113 Ų11362%0.6265%0.646SS**SBendtrans36.5118.313100000117.9
184N51.7Low59.4Low123 Ų123112 Ų11266%0.65864%0.639SS**  trans114.4-4.7170.2-53.2-33000120
185P56.7Low61.4Low80 Ų80108.7 Ų108.752%0.51962%0.621SS.*Hα-helixtrans-77.9-26.3-176.728.7-32.7000114.9N187 V188 E189P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.23Å; P185-V188 PolarHBondContact O-N 2.84Å; P185-V188 VanDerWaalsContact O-N 3.16Å; P185-E189 PolarHBondContact O-N 2.98Å
186T58.9Low63.7Low84 Ų84106.6 Ų106.652%0.51561%0.605SS.*Hα-helixtrans-62.2-39.9-17952.70000112.3V188 E189 E190T186-V188 VanDerWaalsContact C-N 3.29Å; T186-V188 PolarHBondContact O-N 3.48Å; T186-E189 PolarHBondContact O-N 2.97Å; T186-E190 WeakPolarHBondContact O-CB 3.37Å; T186-E190 VanDerWaalsContact O-CG 3.31Å; T186-E190 WeakPolarHBondContact O-CG 3.47Å; T186-E190 PolarHBondContact O-N 3.39Å
187N69.5Low66.4Low89 Ų89106.2 Ų106.248%0.47659%0.594SS.*Hα-helixtrans-63.4-34.5177.6-71.1-21000112.2P185 I191P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.23Å; N187-I191 WeakPolarHBondContact O-CB 3.3Å; N187-I191 VanDerWaalsContact O-CD1 3.27Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 3.45Å
188V79.4Confident68.8Low96 Ų96107.4 Ų107.458%0.58259%0.589SS**Hα-helixtrans-73.2-42.6-178.5-177.80000110.8P185 T186 I191 Q192P185-V188 PolarHBondContact O-N 2.84Å; P185-V188 VanDerWaalsContact O-N 3.16Å; T186-V188 VanDerWaalsContact C-N 3.29Å; T186-V188 PolarHBondContact O-N 3.48Å; V188-I191 PolarHBondContact O-N 3.46Å; V188-Q192 WeakPolarHBondContact O-CB 3.27Å; V188-Q192 PolarHBondContact O-N 3.48Å
189E82.5Confident71.3Confident143 Ų143104.9 Ų104.967%0.66858%0.575SS**Hα-helixtrans-64.3-41.7175.4-68.9179.6-179.700111.8P185 T186 Q192 L193P185-E189 PolarHBondContact O-N 2.98Å; T186-E189 PolarHBondContact O-N 2.97Å; E189-Q192 PolarHBondContact O-N 3.22Å; E189-L193 WeakPolarHBondContact O-CB 3.37Å; E189-L193 PolarHBondContact O-N 3.19Å
190E81.2Confident73.7Confident123 Ų123101.9 Ų101.958%0.57555%0.554SS**Hα-helixtrans-62.6-42173.9-74.6175.9-163.400112T186 L193 M194T186-E190 WeakPolarHBondContact O-CB 3.37Å; T186-E190 VanDerWaalsContact O-CG 3.31Å; T186-E190 WeakPolarHBondContact O-CG 3.47Å; T186-E190 PolarHBondContact O-N 3.39Å; E190-L193 PolarHBondContact O-N 3.35Å; E190-M194 VanDerWaalsContact O-CB 3.31Å; E190-M194 WeakPolarHBondContact O-CB 3.37Å; E190-M194 PolarHBondContact O-N 3.38Å
191I87.3Confident76.8Confident87 Ų8799.8 Ų99.845%0.44654%0.537SS..Hα-helixtrans-62.3-43.8174.3-70.9162.3000110.7N187 V188 L193 M194 I195N187-I191 WeakPolarHBondContact O-CB 3.3Å; N187-I191 VanDerWaalsContact O-CD1 3.27Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 3.45Å; V188-I191 PolarHBondContact O-N 3.46Å; I191-L193 PolarHBondContact O-N 3.49Å; I191-M194 HydrophobicContact CB-CE 4.41Å; I191-M194 HydrophobicContact CG1-CE 4.09Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 3.35Å; I191-I195 HydrophobicContact CG2-CD1 3.97Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 3.07Å
192Q89.1Confident79.8Confident87 Ų8796.3 Ų96.341%0.40751%0.51SS..Hα-helixtrans-64.2-41.6178.2-170.666.319.900111.7V188 E189 I195 R196V188-Q192 WeakPolarHBondContact O-CB 3.27Å; V188-Q192 PolarHBondContact O-N 3.48Å; E189-Q192 PolarHBondContact O-N 3.22Å; Q192-I195 PolarHBondContact O-N 3.44Å; Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å; Q192-R196 VanDerWaalsContact O-N 3.09Å
193L90.6Very high82.5Confident94 Ų9497.8 Ų97.849%0.49250%0.499SS..Hα-helixtrans-61.9-44173.9178.862.2000111.2E189 E190 I191 I195 R196 L197E189-L193 WeakPolarHBondContact O-CB 3.37Å; E189-L193 PolarHBondContact O-N 3.19Å; E190-L193 PolarHBondContact O-N 3.35Å; I191-L193 PolarHBondContact O-N 3.49Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.18Å; L193-R196 PolarHBondContact O-N 3.5Å; L193-L197 HydrophobicContact CD1-CD1 4.36Å; L193-L197 HydrophobicContact CD1-CG 4.35Å; L193-L197 HydrophobicContact CG-CD1 4.08Å; L193-L197 HydrophobicContact CG-CG 4.49Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 2.89Å
194M90.8Very high85.4Confident117 Ų11799.6 Ų99.658%0.57650%0.495SS*.Hα-helixtrans-61.2-39.6177.4177.6175.538.200111.9E190 I191 L197 K198E190-M194 VanDerWaalsContact O-CB 3.31Å; E190-M194 WeakPolarHBondContact O-CB 3.37Å; E190-M194 PolarHBondContact O-N 3.38Å; I191-M194 HydrophobicContact CB-CE 4.41Å; I191-M194 HydrophobicContact CG1-CE 4.09Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 3.35Å; M194-L197 PolarHBondContact O-N 3.32Å; M194-K198 WeakPolarHBondContact O-CB 3.41Å; M194-K198 PolarHBondContact O-N 2.84Å
195I92.8Very high87.6Confident72 Ų7298.3 Ų98.337%0.36948%0.483SS..Hα-helixtrans-63.2-47.3174.7-68.7164000110.6I191 Q192 L193 L197 K198 E199I191-I195 HydrophobicContact CG2-CD1 3.97Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 3.07Å; Q192-I195 PolarHBondContact O-N 3.44Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.18Å; I195-L197 PolarHBondContact O-N 3.46Å; I195-K198 WeakPolarHBondContact O-CB 3.43Å; I195-K198 PolarHBondContact O-N 3.28Å; I195-E199 WeakPolarHBondContact O-CG 3.41Å; I195-E199 PolarHBondContact O-N 2.97Å
196R94.3Very high89.5Confident141 Ų14199.7 Ų99.753%0.53249%0.485SS..Hα-helixtrans-61.1-43.5177.4-69.4-179.8-173.7127.6-2.3112.2Q192 L193 E199 V200Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å; Q192-R196 VanDerWaalsContact O-N 3.09Å; L193-R196 PolarHBondContact O-N 3.5Å; R196-E199 PolarHBondContact O-N 3.46Å; R196-V200 WeakPolarHBondContact O-CG2 3.28Å; R196-V200 PolarHBondContact O-N 3.2Å
197L95.5Very high91.4Very high95 Ų95100.8 Ų100.850%0.49749%0.487SS..Hα-helixtrans-63.1-41.8175.6-75172.5000111.3L193 M194 I195 E199 V200 I201L193-L197 HydrophobicContact CD1-CD1 4.36Å; L193-L197 HydrophobicContact CD1-CG 4.35Å; L193-L197 HydrophobicContact CG-CD1 4.08Å; L193-L197 HydrophobicContact CG-CG 4.49Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 2.89Å; M194-L197 PolarHBondContact O-N 3.32Å; I195-L197 PolarHBondContact O-N 3.46Å; L197-E199 PolarHBondContact O-N 2.94Å; L197-V200 PolarHBondContact O-N 3.47Å; L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.37Å; L197-I201 PolarHBondContact O-N 3.49Å
198K95.6Very high92.6Very high125 Ų125100.2 Ų100.254%0.54348%0.483SS..Hα-helixtrans-59.3-45.1175-178.1-175.6176.3-62.50111.4M194 I195 I201 D202M194-K198 WeakPolarHBondContact O-CB 3.41Å; M194-K198 PolarHBondContact O-N 2.84Å; I195-K198 WeakPolarHBondContact O-CB 3.43Å; I195-K198 PolarHBondContact O-N 3.28Å; K198-I201 PolarHBondContact O-N 2.98Å; K198-D202 IonicContact NZ-OD2 2.83Å; K198-D202 PolarHBondContact NZ-OD2 3.49Å; K198-D202 WeakPolarHBondContact O-CB 3.23Å; K198-D202 VanDerWaalsContact O-CG 3.26Å; K198-D202 PolarHBondContact O-N 3.13Å
199E95.5Very high93.4Very high90 Ų90102.9 Ų102.942%0.42148%0.483SS..Hα-helixtrans-62.1-42.8176.6-70.4177.8-169.200112.7I195 R196 L197 D202 R203I195-E199 WeakPolarHBondContact O-CG 3.41Å; I195-E199 PolarHBondContact O-N 2.97Å; R196-E199 PolarHBondContact O-N 3.46Å; L197-E199 PolarHBondContact O-N 2.94Å; E199-D202 PolarHBondContact O-N 3.28Å; E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 2.94Å; E199-R203 IonicContact OE2-CZ 2.8Å; E199-R203 IonicContact OE2-NH1 3.6Å; E199-R203 PolarHBondContact OE2-NH1 3.42Å; E199-R203 IonicContact OE2-NH2 3.47Å; E199-R203 PolarHBondContact OE2-NH2 3.21Å
200V96.5Very high94.1Very high60 Ų6098.5 Ų98.536%0.36447%0.468SS..Hα-helixtrans-63.2-43.9176.1173.10000110.7R196 L197 D202 R203 Q204R196-V200 WeakPolarHBondContact O-CG2 3.28Å; R196-V200 PolarHBondContact O-N 3.2Å; L197-V200 PolarHBondContact O-N 3.47Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; V200-R203 PolarHBondContact O-N 3.43Å; V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 WeakPolarHBondContact O-CG 3.23Å; V200-Q204 PolarHBondContact O-N 3.37Å
201I96.9Very high94.8Very high78 Ų7897.1 Ų97.140%0.446%0.464SS..Hα-helixtrans-61.2-43.1175.9-71.3166.1000110.6L197 K198 Q204 K205L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.37Å; L197-I201 PolarHBondContact O-N 3.49Å; K198-I201 PolarHBondContact O-N 2.98Å; I201-Q204 PolarHBondContact O-N 2.95Å; I201-K205 HydrophobicContact CG2-CD 4.09Å; I201-K205 VanDerWaalsContact CG2-CE 3.46Å; I201-K205 HydrophobicContact CG2-CG 4.46Å; I201-K205 WeakPolarHBondContact O-CB 3.48Å; I201-K205 VanDerWaalsContact O-CG 3.24Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.85Å
202D96.1Very high95.3Very high54 Ų54101.1 Ų101.129%0.28947%0.474SS..Hα-helixtrans-67.5-39.9179.4-71.4-21.2000111.4K198 E199 V200 K205 I206K198-D202 IonicContact NZ-OD2 2.83Å; K198-D202 PolarHBondContact NZ-OD2 3.49Å; K198-D202 WeakPolarHBondContact O-CB 3.23Å; K198-D202 VanDerWaalsContact O-CG 3.26Å; K198-D202 PolarHBondContact O-N 3.13Å; E199-D202 PolarHBondContact O-N 3.28Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 IonicContact OD1-NZ 3.48Å; D202-I206 WeakPolarHBondContact O-CG1 3.39Å; D202-I206 PolarHBondContact O-N 3.33Å; D202-I206 VanDerWaalsContact O-N 3.12Å
203R96.3Very high95.7Very high141 Ų141103.7 Ų103.753%0.53249%0.486SS..Hα-helixtrans-60.1-48.8171-75.9-174.3-78.5-98.7-0.3111.9E199 V200 K205 I206 L207E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 2.94Å; E199-R203 IonicContact OE2-CZ 2.8Å; E199-R203 IonicContact OE2-NH1 3.6Å; E199-R203 PolarHBondContact OE2-NH1 3.42Å; E199-R203 IonicContact OE2-NH2 3.47Å; E199-R203 PolarHBondContact OE2-NH2 3.21Å; V200-R203 PolarHBondContact O-N 3.43Å; R203-K205 VanDerWaalsContact C-N 3.33Å; R203-K205 PolarHBondContact O-N 3.32Å; R203-I206 PolarHBondContact O-N 2.89Å; R203-L207 PolarHBondContact O-N 3.38Å
204Q97.3Very high96Very high112 Ų112104.5 Ų104.552%0.52349%0.487SS..Hα-helixtrans-62.1-39.6177.7-74.7177.2-13.500111.9V200 I201 I206 L207 I208V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 WeakPolarHBondContact O-CG 3.23Å; V200-Q204 PolarHBondContact O-N 3.37Å; I201-Q204 PolarHBondContact O-N 2.95Å; Q204-I206 PolarHBondContact O-N 3.37Å; Q204-L207 PolarHBondContact O-N 2.94Å; Q204-I208 WeakPolarHBondContact O-CB 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.24Å; Q204-I208 WeakPolarHBondContact O-CG1 3.34Å; Q204-I208 PolarHBondContact O-N 3.23Å
205K97.5Very high96.1Very high96 Ų96105.1 Ų105.142%0.41749%0.492SS..Hα-helixtrans-60.7-42.6175.5-77.8170.3-177.2166.90112.2I201 D202 R203 R209I201-K205 HydrophobicContact CG2-CD 4.09Å; I201-K205 VanDerWaalsContact CG2-CE 3.46Å; I201-K205 HydrophobicContact CG2-CG 4.46Å; I201-K205 WeakPolarHBondContact O-CB 3.48Å; I201-K205 VanDerWaalsContact O-CG 3.24Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.85Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 IonicContact OD1-NZ 3.48Å; R203-K205 VanDerWaalsContact C-N 3.33Å; R203-K205 PolarHBondContact O-N 3.32Å; K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 3.3Å
206I96.2Very high96.2Very high109 Ų109105.7 Ų105.756%0.55950%0.499SS*.Hα-helixtrans-64.5-46.2177.5-66.2165.2000110.2D202 R203 Q204 I208 R209 S210D202-I206 WeakPolarHBondContact O-CG1 3.39Å; D202-I206 PolarHBondContact O-N 3.33Å; D202-I206 VanDerWaalsContact O-N 3.12Å; R203-I206 PolarHBondContact O-N 2.89Å; Q204-I206 PolarHBondContact O-N 3.37Å; I206-I208 PolarHBondContact O-N 3.36Å; I206-R209 PolarHBondContact O-N 2.86Å; I206-R209 VanDerWaalsContact O-N 3.13Å; I206-S210 PolarHBondContact O-N 3.47Å
207L97.4Very high96.2Very high107 Ų107104 Ų10456%0.5650%0.497SS*.Hα-helixtrans-60.9-43.5178.1-176.1133.9000112.1R203 Q204 R209 S210 L211R203-L207 PolarHBondContact O-N 3.38Å; Q204-L207 PolarHBondContact O-N 2.94Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.95Å; L207-S210 PolarHBondContact O-N 2.8Å; L207-L211 HydrophobicContact CD2-CD1 3.6Å; L207-L211 HydrophobicContact CD2-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.28Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 2.83Å
208I95.6Very high96.1Very high77 Ų77106 Ų10640%0.39550%0.502SS..Hα-helixtrans-60.7-40.1174.9-70165.6000111.2Q204 I206 R212Q204-I208 WeakPolarHBondContact O-CB 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.24Å; Q204-I208 WeakPolarHBondContact O-CG1 3.34Å; Q204-I208 PolarHBondContact O-N 3.23Å; I206-I208 PolarHBondContact O-N 3.36Å; I208-R212 WeakPolarHBondContact O-CB 3.34Å; I208-R212 VanDerWaalsContact O-CG 3.23Å; I208-R212 WeakPolarHBondContact O-CG 3.29Å; I208-R212 PolarHBondContact O-N 2.9Å
209R96.6Very high96.1Very high152 Ų152105.5 Ų105.557%0.57450%0.501SS*.Hα-helixtrans-65.8-44.5176.4-71.3-179.3-160.4116.8-4.2111.8K205 I206 L207 R212 Q213K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 3.3Å; I206-R209 PolarHBondContact O-N 2.86Å; I206-R209 VanDerWaalsContact O-N 3.13Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.95Å; R209-R212 PolarHBondContact O-N 3.33Å; R209-Q213 PolarHBondContact O-N 2.84Å
210S96Very high96Very high52 Ų52105.4 Ų105.436%0.36451%0.506SS..Hα-helixtrans-60.9-48.9176.9177.30000111.6I206 L207 R212 Q213 Q214I206-S210 PolarHBondContact O-N 3.47Å; L207-S210 PolarHBondContact O-N 2.8Å; S210-R212 VanDerWaalsContact C-N 3.32Å; S210-R212 PolarHBondContact O-N 3.29Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 3.45Å; S210-Q213 VanDerWaalsContact O-N 3.11Å; S210-Q214 WeakPolarHBondContact O-CG 3.33Å; S210-Q214 PolarHBondContact O-N 2.92Å; S210-Q214 PolarHBondContact OG-NE2 3.4Å
211L97Very high95.8Very high94 Ų94105.7 Ų105.749%0.49251%0.506SS..Hα-helixtrans-61.6-38.5177.2-72.6176.2000112.5L207 Q214 L215L207-L211 HydrophobicContact CD2-CD1 3.6Å; L207-L211 HydrophobicContact CD2-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.28Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 2.83Å; L211-Q214 PolarHBondContact O-N 2.95Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 PolarHBondContact O-N 2.81Å
212R97.7Very high95.7Very high171 Ų171107.5 Ų107.565%0.64552%0.516SS*.Hα-helixtrans-62.2-43173.6-77.6174.3-179.5172.11.4111.7I208 R209 S210 L215 T216I208-R212 WeakPolarHBondContact O-CB 3.34Å; I208-R212 VanDerWaalsContact O-CG 3.23Å; I208-R212 WeakPolarHBondContact O-CG 3.29Å; I208-R212 PolarHBondContact O-N 2.9Å; R209-R212 PolarHBondContact O-N 3.33Å; S210-R212 VanDerWaalsContact C-N 3.32Å; S210-R212 PolarHBondContact O-N 3.29Å; R212-L215 PolarHBondContact O-N 2.91Å; R212-T216 WeakPolarHBondContact O-CG2 3.42Å; R212-T216 PolarHBondContact O-N 2.89Å; R212-T216 PolarHBondContact O-OG1 2.85Å; R212-T216 VanDerWaalsContact O-OG1 3.13Å
213Q96.9Very high95.5Very high141 Ų141108.8 Ų108.866%0.65952%0.523SS*.Hα-helixtrans-63.2-43.9176.9-173.6178.32.400111.7R209 S210 T216 Q217R209-Q213 PolarHBondContact O-N 2.84Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 3.45Å; S210-Q213 VanDerWaalsContact O-N 3.11Å; Q213-T216 VanDerWaalsContact CA-OG1 3.3Å; Q213-T216 WeakPolarHBondContact CA-OG1 3.32Å; Q213-T216 PolarHBondContact O-N 2.86Å; Q213-T216 PolarHBondContact O-OG1 3.4Å; Q213-Q217 PolarHBondContact O-N 3.21Å
214Q96.7Very high95.3Very high110 Ų110104.4 Ų104.451%0.51452%0.516SS..Hα-helixtrans-62.1-44.2175.5-68.9179.237.100111.6S210 L211 T216 Q217 K218S210-Q214 WeakPolarHBondContact O-CG 3.33Å; S210-Q214 PolarHBondContact O-N 2.92Å; S210-Q214 PolarHBondContact OG-NE2 3.4Å; L211-Q214 PolarHBondContact O-N 2.95Å; Q214-T216 PolarHBondContact O-N 3.05Å; Q214-Q217 PolarHBondContact O-N 2.91Å; Q214-K218 WeakPolarHBondContact O-CG 3.48Å; Q214-K218 PolarHBondContact O-N 3.13Å
215L93.7Very high95.1Very high131 Ų131104.3 Ų104.369%0.68652%0.518SS*.Hα-helixtrans-60.9-43.8176.2-166.197.5000111.4L211 R212 K218 H219L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 PolarHBondContact O-N 2.81Å; R212-L215 PolarHBondContact O-N 2.91Å; L215-K218 PolarHBondContact O-N 3.29Å; L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 2.94Å
216T95.3Very high94.8Very high83 Ų83105.7 Ų105.751%0.50953%0.526SS..Hα-helixtrans-64.2-39.8176.649.20000112.2R212 Q213 Q214 H219 V220R212-T216 WeakPolarHBondContact O-CG2 3.42Å; R212-T216 PolarHBondContact O-N 2.89Å; R212-T216 PolarHBondContact O-OG1 2.85Å; R212-T216 VanDerWaalsContact O-OG1 3.13Å; Q213-T216 VanDerWaalsContact CA-OG1 3.3Å; Q213-T216 WeakPolarHBondContact CA-OG1 3.32Å; Q213-T216 PolarHBondContact O-N 2.86Å; Q213-T216 PolarHBondContact O-OG1 3.4Å; Q214-T216 PolarHBondContact O-N 3.05Å; T216-H219 PolarHBondContact O-N 3.36Å; T216-V220 WeakPolarHBondContact O-CG2 3.45Å; T216-V220 PolarHBondContact O-N 2.92Å
217Q93.4Very high94.7Very high106 Ų106105.7 Ų105.750%0.49552%0.523SS..Hα-helixtrans-63.7-48.1176.3-175.759.950.700110.9Q213 Q214 H219 V220 D221Q213-Q217 PolarHBondContact O-N 3.21Å; Q214-Q217 PolarHBondContact O-N 2.91Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.4Å; Q217-V220 PolarHBondContact O-N 3.34Å; Q217-V220 VanDerWaalsContact O-N 3.13Å; Q217-D221 PolarHBondContact NE2-OD1 2.6Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.11Å
218K94.8Very high94.5Very high138 Ų138105.2 Ų105.260%0.652%0.518SS*.Hα-helixtrans-60.9-34.2176.4-67.6-60.5-177.3-170.60112.6Q214 L215 D221 L222Q214-K218 WeakPolarHBondContact O-CG 3.48Å; Q214-K218 PolarHBondContact O-N 3.13Å; L215-K218 PolarHBondContact O-N 3.29Å; K218-D221 PolarHBondContact O-N 2.91Å; K218-L222 WeakPolarHBondContact O-CB 3.33Å; K218-L222 VanDerWaalsContact O-CG 3.32Å; K218-L222 WeakPolarHBondContact O-CG 3.45Å; K218-L222 PolarHBondContact O-N 2.91Å
219H94.8Very high94.1Very high114 Ų114104 Ų10453%0.52852%0.519SS..Hα-helixtrans-65-44.3174.8-169.952.2000111.8L215 T216 Q217 L222 D223L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 2.94Å; T216-H219 PolarHBondContact O-N 3.36Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.4Å; H219-L222 PolarHBondContact O-N 3Å; H219-D223 PolarHBondContact O-N 2.96Å
220V93.9Very high93.7Very high87 Ų8799.6 Ų99.653%0.52751%0.51SS..Hα-helixtrans-62.7-41.9174.5174.40000111.5T216 Q217 D223 A224T216-V220 WeakPolarHBondContact O-CG2 3.45Å; T216-V220 PolarHBondContact O-N 2.92Å; Q217-V220 PolarHBondContact O-N 3.34Å; Q217-V220 VanDerWaalsContact O-N 3.13Å; V220-D223 PolarHBondContact O-N 3.16Å; V220-A224 WeakPolarHBondContact O-CB 3.47Å; V220-A224 PolarHBondContact O-N 2.97Å
221D92.4Very high93.6Very high66 Ų66105.1 Ų105.135%0.35352%0.522SS..Hα-helixtrans-63.5-42177.4-60.9-17.7000111.5Q217 K218 A224 M225Q217-D221 PolarHBondContact NE2-OD1 2.6Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.11Å; K218-D221 PolarHBondContact O-N 2.91Å; D221-A224 PolarHBondContact O-N 2.92Å; D221-M225 WeakPolarHBondContact O-CG 3.27Å; D221-M225 PolarHBondContact O-N 3.45Å
222L93.3Very high93.3Very high117 Ų117105.1 Ų105.161%0.61352%0.522SS*.Hα-helixtrans-63-44.1175.1-78172.5000111.7K218 H219 A224 M225 Q226K218-L222 WeakPolarHBondContact O-CB 3.33Å; K218-L222 VanDerWaalsContact O-CG 3.32Å; K218-L222 WeakPolarHBondContact O-CG 3.45Å; K218-L222 PolarHBondContact O-N 2.91Å; H219-L222 PolarHBondContact O-N 3Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 2.99Å; L222-M225 PolarHBondContact O-N 2.85Å; L222-Q226 VanDerWaalsContact O-CB 3.25Å; L222-Q226 WeakPolarHBondContact O-CB 3.45Å; L222-Q226 PolarHBondContact O-N 2.93Å
223D93.4Very high92.6Very high80 Ų8099.8 Ų99.843%0.42852%0.515SS..Hα-helixtrans-62.5-39.8176.3-79.6-10.8000111.5H219 V220 Q226 Q227H219-D223 PolarHBondContact O-N 2.96Å; V220-D223 PolarHBondContact O-N 3.16Å; D223-Q226 PolarHBondContact O-N 3.39Å; D223-Q227 VanDerWaalsContact O-CG 3.27Å; D223-Q227 WeakPolarHBondContact O-CG 3.35Å; D223-Q227 PolarHBondContact O-N 2.87Å
224A91.9Very high92.3Very high49 Ų49100.2 Ų100.241%0.40552%0.515SS..Hα-helixtrans-64.5-46175.700000112.1V220 D221 L222 Q227 Q228V220-A224 WeakPolarHBondContact O-CB 3.47Å; V220-A224 PolarHBondContact O-N 2.97Å; D221-A224 PolarHBondContact O-N 2.92Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 2.99Å; A224-Q227 PolarHBondContact O-N 3.2Å; A224-Q228 PolarHBondContact O-N 3.46Å
225M93.4Very high92Very high111 Ų11199.7 Ų99.755%0.54752%0.515SS..Hα-helixtrans-63.9-39.8175.3-72.3-62.7102.100112D221 L222 Q227 Q228 A229D221-M225 WeakPolarHBondContact O-CG 3.27Å; D221-M225 PolarHBondContact O-N 3.45Å; L222-M225 PolarHBondContact O-N 2.85Å; M225-Q227 VanDerWaalsContact C-N 3.34Å; M225-Q227 PolarHBondContact O-N 3.34Å; M225-Q228 PolarHBondContact O-N 3.26Å; M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 2.99Å
226Q91.4Very high91.6Very high125 Ų12597.5 Ų97.558%0.58450%0.504SS*.Hα-helixtrans-63.2-39.7175.7-177.263.513.900111.6L222 D223 A229 T230L222-Q226 VanDerWaalsContact O-CB 3.25Å; L222-Q226 WeakPolarHBondContact O-CB 3.45Å; L222-Q226 PolarHBondContact O-N 2.93Å; D223-Q226 PolarHBondContact O-N 3.39Å; Q226-A229 PolarHBondContact O-N 3.4Å; Q226-T230 WeakPolarHBondContact O-CB 3.32Å; Q226-T230 PolarHBondContact O-N 3.07Å; Q226-T230 PolarHBondContact O-OG1 3.15Å
227Q92.9Very high91.1Very high108 Ų10895.2 Ų95.251%0.50549%0.494SS..Hα-helixtrans-64.2-42.3173-73.1176.428.200111.7D223 A224 M225 T230 R231D223-Q227 VanDerWaalsContact O-CG 3.27Å; D223-Q227 WeakPolarHBondContact O-CG 3.35Å; D223-Q227 PolarHBondContact O-N 2.87Å; A224-Q227 PolarHBondContact O-N 3.2Å; M225-Q227 VanDerWaalsContact C-N 3.34Å; M225-Q227 PolarHBondContact O-N 3.34Å; Q227-T230 PolarHBondContact O-N 3.06Å; Q227-R231 WeakPolarHBondContact O-CG 3.24Å; Q227-R231 PolarHBondContact O-N 2.97Å
228Q94.3Very high90.7Very high97 Ų9792.7 Ų92.745%0.45349%0.488SS..Hα-helixtrans-63.3-45.2176.1-174.4176-1.500111.8A224 M225 T230 R231 L232A224-Q228 PolarHBondContact O-N 3.46Å; M225-Q228 PolarHBondContact O-N 3.26Å; Q228-T230 VanDerWaalsContact C-N 3.32Å; Q228-T230 PolarHBondContact O-N 3Å; Q228-R231 PolarHBondContact O-N 3.05Å; Q228-L232 HydrophobicContact CG-CD1 4.43Å; Q228-L232 PolarHBondContact O-N 2.71Å
229A86.8Confident90.4Very high51 Ų5190.6 Ų90.642%0.42148%0.483SS..Hα-helixtrans-59.4-42.5174.900000111.7M225 Q226 R231 L232 A233M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 2.99Å; Q226-A229 PolarHBondContact O-N 3.4Å; A229-R231 PolarHBondContact O-N 2.9Å; A229-L232 PolarHBondContact O-N 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.99Å
230T87.6Confident90.3Very high61 Ų6191.6 Ų91.637%0.37448%0.482SS..Hα-helixtrans-63.7-40.2176.2-56.80000111.9Q226 Q227 Q228 K234Q226-T230 WeakPolarHBondContact O-CB 3.32Å; Q226-T230 PolarHBondContact O-N 3.07Å; Q226-T230 PolarHBondContact O-OG1 3.15Å; Q227-T230 PolarHBondContact O-N 3.06Å; Q228-T230 VanDerWaalsContact C-N 3.32Å; Q228-T230 PolarHBondContact O-N 3Å; T230-K234 WeakPolarHBondContact O-CG 3.15Å; T230-K234 PolarHBondContact O-N 3.37Å
231R94.7Very high90Very high167 Ų16795.5 Ų95.563%0.6349%0.487SS*.Hα-helixtrans-64.1-46.4175.2-71.9174.8-166152.27.3111.5Q227 Q228 A229 K234 L235Q227-R231 WeakPolarHBondContact O-CG 3.24Å; Q227-R231 PolarHBondContact O-N 2.97Å; Q228-R231 PolarHBondContact O-N 3.05Å; A229-R231 PolarHBondContact O-N 2.9Å; R231-K234 PolarHBondContact O-N 3.21Å; R231-L235 PolarHBondContact O-N 2.89Å
232L89.7Confident90Very high94 Ų9499.3 Ų99.349%0.49250%0.5SS..Hα-helixtrans-63.3-40.7176.9-72.7174.2000112Q228 A229 K234 L235 N236Q228-L232 HydrophobicContact CG-CD1 4.43Å; Q228-L232 PolarHBondContact O-N 2.71Å; A229-L232 PolarHBondContact O-N 3.24Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.05Å; L232-L235 PolarHBondContact O-N 3.12Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.86Å
233A83.7Confident89.9Confident60 Ų60100 Ų10050%0.49650%0.5SS..Hα-helixtrans-60.1-43.7174.900000111.8A229 N236 A237A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.99Å; A233-N236 PolarHBondContact O-N 2.79Å; A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 3Å
234K89.8Confident89.7Confident149 Ų149100 Ų10065%0.64850%0.496SS*.Hα-helixtrans-63.5-42.3175.1-73.2176.7179.9-178.10112.5T230 R231 L232 A237 S238T230-K234 WeakPolarHBondContact O-CG 3.15Å; T230-K234 PolarHBondContact O-N 3.37Å; R231-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.05Å; K234-A237 PolarHBondContact O-N 3.49Å; K234-S238 PolarHBondContact O-N 3.44Å
235L91.3Very high89.5Confident100 Ų100100.8 Ų100.852%0.52450%0.496SS..Hα-helixtrans-66.3-44.4177.8-176.2136.8000111.6R231 L232 A237 S238 L239R231-L235 PolarHBondContact O-N 2.89Å; L232-L235 PolarHBondContact O-N 3.12Å; L235-A237 PolarHBondContact O-N 3.42Å; L235-S238 WeakPolarHBondContact O-CB 3.43Å; L235-S238 PolarHBondContact O-N 3.33Å; L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.3Å; L235-L239 HydrophobicContact CG-CD1 4.48Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.49Å
236N85.7Confident89.1Confident85 Ų8598.9 Ų98.946%0.45549%0.494SS..Hα-helixtrans-60.6-42.9174.4-85.6-33.2000112.1L232 A233 S238 L239 R240L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.86Å; A233-N236 PolarHBondContact O-N 2.79Å; N236-S238 VanDerWaalsContact C-N 3.32Å; N236-S238 PolarHBondContact O-N 2.9Å; N236-L239 PolarHBondContact O-N 2.95Å; N236-R240 WeakPolarHBondContact O-CB 3.41Å; N236-R240 VanDerWaalsContact O-CG 3.27Å; N236-R240 WeakPolarHBondContact O-CG 3.27Å; N236-R240 PolarHBondContact O-N 3.47Å
237A83.8Confident89.2Confident35 Ų3598.7 Ų98.729%0.28949%0.491SS..Hα-helixtrans-61.1-40.3174.700000112.2A233 K234 L235 R240 R241A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 3Å; K234-A237 PolarHBondContact O-N 3.49Å; L235-A237 PolarHBondContact O-N 3.42Å; A237-R240 PolarHBondContact O-N 2.94Å; A237-R241 WeakPolarHBondContact O-CG 3.5Å; A237-R241 PolarHBondContact O-N 3.36Å
238S85.8Confident89.1Confident53 Ų5398 Ų9837%0.37149%0.488SS..Hα-helixtrans-64.7-44.8175-175.20000112.2K234 L235 N236 R241 K242K234-S238 PolarHBondContact O-N 3.44Å; L235-S238 WeakPolarHBondContact O-CB 3.43Å; L235-S238 PolarHBondContact O-N 3.33Å; N236-S238 VanDerWaalsContact C-N 3.32Å; N236-S238 PolarHBondContact O-N 2.9Å; S238-R241 PolarHBondContact O-N 3.38Å; S238-K242 WeakPolarHBondContact O-CG 3.32Å; S238-K242 PolarHBondContact O-N 3.03Å
239L89Confident89Confident94 Ų9498.6 Ų98.649%0.49249%0.49SS..Hα-helixtrans-62.1-43.2176-74.9173.3000112L235 N236 R241 K242 H243L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.3Å; L235-L239 HydrophobicContact CG-CD1 4.48Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.49Å; N236-L239 PolarHBondContact O-N 2.95Å; L239-R241 PolarHBondContact O-N 3.23Å; L239-K242 PolarHBondContact O-N 3.31Å; L239-H243 VanDerWaalsContact O-CB 3.29Å; L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 3.25Å
240R92Very high89.2Confident134 Ų13498.9 Ų98.951%0.50649%0.493SS..Hα-helixtrans-60.3-44.8175.9-73.7170.2179.9-83.88.9111.9N236 A237 H243 F244 E366N236-R240 WeakPolarHBondContact O-CB 3.41Å; N236-R240 VanDerWaalsContact O-CG 3.27Å; N236-R240 WeakPolarHBondContact O-CG 3.27Å; N236-R240 PolarHBondContact O-N 3.47Å; A237-R240 PolarHBondContact O-N 2.94Å; R240-H243 PolarHBondContact O-N 2.94Å; R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 2.68Å; R240-E366 VanDerWaalsContact CZ-CD 3.43Å; R240-E366 IonicContact CZ-OE1 3.9Å; R240-E366 IonicContact CZ-OE2 2.6Å; R240-E366 VanDerWaalsContact CZ-OE2 3.3Å; R240-E366 IonicContact NE-OE2 2.71Å; R240-E366 IonicContact NH1-OE1 3.77Å; R240-E366 PolarHBondContact NH1-OE1 3.37Å; R240-E366 IonicContact NH1-OE2 3.78Å; R240-E366 PolarHBondContact NH1-OE2 2.94Å; R240-E366 IonicContact NH2-OE1 3.05Å; R240-E366 PolarHBondContact NH2-OE1 2.98Å; R240-E366 IonicContact NH2-OE2 3.02Å
241R88.3Confident89.4Confident169 Ų16998.6 Ų98.664%0.63849%0.489SS*.Hα-helixtrans-62-45.6174.6-71176.7-166.1147.13.4112.1A237 S238 L239 F244 V245A237-R241 WeakPolarHBondContact O-CG 3.5Å; A237-R241 PolarHBondContact O-N 3.36Å; S238-R241 PolarHBondContact O-N 3.38Å; L239-R241 PolarHBondContact O-N 3.23Å; R241-F244 PolarHBondContact O-N 3.43Å; R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 2.82Å
242K90.9Very high89.3Confident147 Ų14795.6 Ų95.664%0.63948%0.482SS*.Hα-helixtrans-62.1-44176.7-74.6-176179.3-173.50112S238 L239 F244 V245 S246S238-K242 WeakPolarHBondContact O-CG 3.32Å; S238-K242 PolarHBondContact O-N 3.03Å; L239-K242 PolarHBondContact O-N 3.31Å; K242-F244 VanDerWaalsContact C-N 3.34Å; K242-V245 PolarHBondContact O-N 2.9Å; K242-S246 WeakPolarHBondContact O-CB 3.41Å; K242-S246 PolarHBondContact O-N 2.99Å
243H90.8Very high89.4Confident132 Ų13296.6 Ų96.661%0.61149%0.487SS*.Hα-helixtrans-62-42.5175.6177.7-87.6000111.3L239 R240 S246 K247L239-H243 VanDerWaalsContact O-CB 3.29Å; L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 3.25Å; R240-H243 PolarHBondContact O-N 2.94Å; H243-S246 PolarHBondContact O-N 3.44Å; H243-K247 VanDerWaalsContact O-CB 3.23Å; H243-K247 WeakPolarHBondContact O-CB 3.36Å; H243-K247 PolarHBondContact O-N 3.36Å
244F90.4Very high89.9Confident78 Ų78100.3 Ų100.334%0.34249%0.488SS..Hα-helixtrans-60.9-48.8175.7178.2-94.5000112.1R240 R241 K242 K247 Q248 T359R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 2.68Å; R241-F244 PolarHBondContact O-N 3.43Å; K242-F244 VanDerWaalsContact C-N 3.34Å; F244-K247 PolarHBondContact O-N 3.15Å; F244-Q248 WeakPolarHBondContact O-CB 3.3Å; F244-Q248 PolarHBondContact O-N 3.01Å; F244-T359 HydrophobicContact CD1-CG2 4.42Å; F244-T359 HydrophobicContact CD2-CG2 4.06Å; F244-T359 HydrophobicContact CE1-CG2 3.98Å; F244-T359 HydrophobicContact CE2-CG2 3.58Å; F244-T359 WeakPolarHBondContact CE2-OG1 3.4Å; F244-T359 HydrophobicContact CG-CG2 4.47Å; F244-T359 HydrophobicContact CZ-CG2 3.56Å; F244-T359 WeakPolarHBondContact CZ-OG1 3.33Å
245V87.5Confident90Very high66 Ų6698.7 Ų98.740%0.448%0.483SS..Hα-helixtrans-61.8-45.5177.5173.10000111.2R241 K242 K247 Q248 Q249R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 2.82Å; K242-V245 PolarHBondContact O-N 2.9Å; V245-K247 PolarHBondContact O-N 3.34Å; V245-Q248 PolarHBondContact O-N 2.97Å; V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 3.31Å
246S85.9Confident90.1Very high71 Ų7198.4 Ų98.450%0.49748%0.479SS..Hα-helixtrans-62.9-41177.6177.80000112.2K242 H243 Q249 A250K242-S246 WeakPolarHBondContact O-CB 3.41Å; K242-S246 PolarHBondContact O-N 2.99Å; H243-S246 PolarHBondContact O-N 3.44Å; S246-Q249 PolarHBondContact O-N 3.48Å; S246-A250 PolarHBondContact O-N 2.97Å
247K92.7Very high90.6Very high122 Ų122100.4 Ų100.453%0.5348%0.484SS..Hα-helixtrans-64-44.4174.6-177.8175.9179178.30111.6H243 F244 V245 Q249 A250 D251H243-K247 VanDerWaalsContact O-CB 3.23Å; H243-K247 WeakPolarHBondContact O-CB 3.36Å; H243-K247 PolarHBondContact O-N 3.36Å; F244-K247 PolarHBondContact O-N 3.15Å; V245-K247 PolarHBondContact O-N 3.34Å; K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.91Å; K247-A250 PolarHBondContact O-N 3.1Å; K247-D251 PolarHBondContact O-N 3.48Å
248Q91.5Very high91.1Very high93 Ų93103.2 Ų103.244%0.43549%0.494SS..Hα-helixtrans-60.6-42.6176.5-177.2-179.560.400111.5F244 V245 D251 Q252F244-Q248 WeakPolarHBondContact O-CB 3.3Å; F244-Q248 PolarHBondContact O-N 3.01Å; V245-Q248 PolarHBondContact O-N 2.97Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 PolarHBondContact O-N 3.19Å
249Q91.6Very high91.6Very high109 Ų109104.1 Ų104.151%0.50950%0.497SS..Hα-helixtrans-62.2-43.2174.4-73174.9-11.900111.8V245 S246 K247 Q252 L253V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 3.31Å; S246-Q249 PolarHBondContact O-N 3.48Å; K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.91Å; Q249-Q252 PolarHBondContact O-N 3.36Å; Q249-L253 WeakPolarHBondContact O-CG 3.44Å; Q249-L253 PolarHBondContact O-N 3.18Å
250A89.9Confident91.9Very high57 Ų57105 Ų10547%0.47150%0.501SS..Hα-helixtrans-63.7-40.3176.200000112.4S246 K247 R254S246-A250 PolarHBondContact O-N 2.97Å; K247-A250 PolarHBondContact O-N 3.1Å; A250-R254 WeakPolarHBondContact O-CB 3.35Å; A250-R254 PolarHBondContact O-N 3.02Å
251D93.2Very high92.1Very high55 Ų55103.3 Ų103.329%0.29450%0.499SS..Hα-helixtrans-67.1-40.8176-81.6-39.5000112.2K247 Q248 R254 E255K247-D251 PolarHBondContact O-N 3.48Å; Q248-D251 PolarHBondContact O-N 3.12Å; D251-R254 WeakPolarHBondContact O-CB 3.29Å; D251-R254 PolarHBondContact O-N 3.03Å; D251-R254 IonicContact OD1-CZ 3.31Å; D251-R254 IonicContact OD1-NE 2.68Å; D251-R254 PolarHBondContact OD1-NE 2.94Å; D251-R254 IonicContact OD1-NH2 3.93Å; D251-R254 PolarHBondContact OD1-NH2 2.94Å; D251-E255 WeakPolarHBondContact O-CG 3.47Å; D251-E255 PolarHBondContact O-N 2.88Å
252Q92.2Very high92.4Very high105 Ų105100 Ų10049%0.49149%0.494SS..Hα-helixtrans-61.9-47.8174.7-176.4-178.1-16.200111.5Q248 Q249 R254 E255 E256Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 PolarHBondContact O-N 3.19Å; Q249-Q252 PolarHBondContact O-N 3.36Å; Q252-R254 VanDerWaalsContact C-N 3.25Å; Q252-R254 PolarHBondContact O-N 3.42Å; Q252-E255 PolarHBondContact O-N 3.38Å; Q252-E255 VanDerWaalsContact O-N 3.16Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.4Å; Q252-E256 PolarHBondContact NE2-OE1 3.29Å; Q252-E256 WeakPolarHBondContact O-CG 3.5Å; Q252-E256 PolarHBondContact O-N 3.35Å
253L91.1Very high92.6Very high114 Ų11498.4 Ų98.460%0.59749%0.488SS*.Hα-helixtrans-61.8-34.6176.6-71172.7000112Q249 K257Q249-L253 WeakPolarHBondContact O-CG 3.44Å; Q249-L253 PolarHBondContact O-N 3.18Å; L253-K257 VanDerWaalsContact O-CB 3.27Å; L253-K257 WeakPolarHBondContact O-CB 3.31Å; L253-K257 PolarHBondContact O-N 3.13Å
254R94.3Very high92.9Very high138 Ų13897.2 Ų97.252%0.52149%0.486SS..Hα-helixtrans-66.5-40.6174.6-177.9179.458.674.26.3112A250 D251 Q252 L258A250-R254 WeakPolarHBondContact O-CB 3.35Å; A250-R254 PolarHBondContact O-N 3.02Å; D251-R254 WeakPolarHBondContact O-CB 3.29Å; D251-R254 PolarHBondContact O-N 3.03Å; D251-R254 IonicContact OD1-CZ 3.31Å; D251-R254 IonicContact OD1-NE 2.68Å; D251-R254 PolarHBondContact OD1-NE 2.94Å; D251-R254 IonicContact OD1-NH2 3.93Å; D251-R254 PolarHBondContact OD1-NH2 2.94Å; Q252-R254 VanDerWaalsContact C-N 3.25Å; Q252-R254 PolarHBondContact O-N 3.42Å; R254-L258 WeakPolarHBondContact O-CB 2.8Å; R254-L258 PolarHBondContact O-N 3.4Å
255E92.2Very high93.1Very high116 Ų11697.7 Ų97.754%0.54249%0.492SS..Hα-helixtrans-68.8-41.5176.3-72.7177.3-173.700112.4D251 Q252 L258 T259D251-E255 WeakPolarHBondContact O-CG 3.47Å; D251-E255 PolarHBondContact O-N 2.88Å; Q252-E255 PolarHBondContact O-N 3.38Å; Q252-E255 VanDerWaalsContact O-N 3.16Å; E255-L258 PolarHBondContact O-N 3.27Å; E255-T259 PolarHBondContact O-N 2.82Å; E255-T259 PolarHBondContact O-OG1 3.42Å
256E93.9Very high93.5Very high93 Ų9397.7 Ų97.744%0.43549%0.492SS..Hα-helixtrans-62.5-44.5174.1-71.8174.2-16700110.9Q252 L258 T259 L260Q252-E256 WeakPolarHBondContact CG-OE1 3.4Å; Q252-E256 PolarHBondContact NE2-OE1 3.29Å; Q252-E256 WeakPolarHBondContact O-CG 3.5Å; Q252-E256 PolarHBondContact O-N 3.35Å; E256-L258 PolarHBondContact O-N 3.37Å; E256-T259 PolarHBondContact O-N 2.97Å; E256-L260 WeakPolarHBondContact O-CG 3.26Å; E256-L260 PolarHBondContact O-N 3.4Å
257K95.8Very high94Very high127 Ų127100.4 Ų100.455%0.55250%0.495SS*.Hα-helixtrans-57.7-48.9173.6177.3-178166.51790111.8L253 T259 L260 E261L253-K257 VanDerWaalsContact O-CB 3.27Å; L253-K257 WeakPolarHBondContact O-CB 3.31Å; L253-K257 PolarHBondContact O-N 3.13Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.94Å; K257-L260 PolarHBondContact O-N 2.84Å; K257-E261 WeakPolarHBondContact CE-OE1 3.35Å; K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.66Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.1Å
258L94.6Very high94.1Very high94 Ų9497.9 Ų97.949%0.49249%0.487SS..Hα-helixtrans-60-41178.7-173.979.8000111.4R254 E255 E256 E261 I262R254-L258 WeakPolarHBondContact O-CB 2.8Å; R254-L258 PolarHBondContact O-N 3.4Å; E255-L258 PolarHBondContact O-N 3.27Å; E256-L258 PolarHBondContact O-N 3.37Å; L258-E261 PolarHBondContact O-N 3.1Å; L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 PolarHBondContact O-N 2.86Å
259T95.3Very high94.3Very high73 Ų7398.2 Ų98.245%0.44849%0.489SS..Hα-helixtrans-63-43.5178.1-56.90000111.2E255 E256 K257 I262 Q263E255-T259 PolarHBondContact O-N 2.82Å; E255-T259 PolarHBondContact O-OG1 3.42Å; E256-T259 PolarHBondContact O-N 2.97Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.94Å; T259-I262 PolarHBondContact O-N 2.72Å; T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 2.86Å
260L95.2Very high94.5Very high111 Ų11197.4 Ų97.458%0.58149%0.485SS*.Hα-helixtrans-65.9-39.7176-70.1173.3000112.2E256 K257 I262 Q263 L264E256-L260 WeakPolarHBondContact O-CG 3.26Å; E256-L260 PolarHBondContact O-N 3.4Å; K257-L260 PolarHBondContact O-N 2.84Å; L260-I262 PolarHBondContact O-N 3.24Å; L260-Q263 PolarHBondContact O-N 3.19Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.89Å
261E96.1Very high94.7Very high99 Ų9998.2 Ų98.246%0.46348%0.481SS..Hα-helixtrans-62-41.3175.4-76176.4170.500112K257 L258 L264 N265K257-E261 WeakPolarHBondContact CE-OE1 3.35Å; K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.66Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.1Å; L258-E261 PolarHBondContact O-N 3.1Å; E261-L264 PolarHBondContact O-N 3.37Å; E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.33Å
262I95.1Very high94.7Very high101 Ų101101.4 Ų101.452%0.51849%0.492SS..Hα-helixtrans-66-43.1175.7-67165.8000111L258 T259 L260 N265 T266L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 PolarHBondContact O-N 2.86Å; T259-I262 PolarHBondContact O-N 2.72Å; L260-I262 PolarHBondContact O-N 3.24Å; I262-N265 PolarHBondContact O-N 3.41Å; I262-T266 WeakPolarHBondContact O-CB 3.45Å; I262-T266 PolarHBondContact O-N 2.84Å; I262-T266 PolarHBondContact O-OG1 3.13Å
263Q96.5Very high94.8Very high112 Ų112101.7 Ų101.752%0.52349%0.493SS..Hα-helixtrans-62.6-43.3176.3-73.4-179.716.900111.4T259 L260 T266 K267T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 2.86Å; L260-Q263 PolarHBondContact O-N 3.19Å; Q263-T266 WeakPolarHBondContact O-CB 3.34Å; Q263-T266 PolarHBondContact O-N 3.4Å; Q263-K267 VanDerWaalsContact O-CG 3.27Å; Q263-K267 WeakPolarHBondContact O-CG 3.39Å; Q263-K267 PolarHBondContact O-N 2.84Å
264L95.5Very high94.8Very high108 Ų108101.6 Ų101.657%0.56549%0.491SS*.Hα-helixtrans-62.7-47.3177.7-173.1134.9000111.2L260 E261 T266 K267 D268L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.89Å; E261-L264 PolarHBondContact O-N 3.37Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 3.38Å; L264-K267 PolarHBondContact O-N 3.06Å; L264-K267 VanDerWaalsContact O-N 3.13Å; L264-D268 VanDerWaalsContact CD2-OD2 3.31Å; L264-D268 WeakPolarHBondContact CD2-OD2 3.48Å; L264-D268 PolarHBondContact O-N 3.28Å
265N96Very high94.6Very high87 Ų8799.9 Ų99.947%0.46549%0.489SS..Hα-helixtrans-61-38.9175.4-171.4-1.3000112.2E261 I262 D268 Q269E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.33Å; I262-N265 PolarHBondContact O-N 3.41Å; N265-D268 PolarHBondContact O-N 3.07Å; N265-Q269 VanDerWaalsContact O-CG 3.3Å; N265-Q269 WeakPolarHBondContact O-CG 3.25Å; N265-Q269 PolarHBondContact O-N 3.3Å; N265-Q269 PolarHBondContact OD1-NE2 2.96Å
266T95.8Very high94.4Very high66 Ų6699.7 Ų99.741%0.40549%0.488SS..Hα-helixtrans-63.3-42.7175.2-54.60000111.3I262 Q263 L264 Q269 Q270I262-T266 WeakPolarHBondContact O-CB 3.45Å; I262-T266 PolarHBondContact O-N 2.84Å; I262-T266 PolarHBondContact O-OG1 3.13Å; Q263-T266 WeakPolarHBondContact O-CB 3.34Å; Q263-T266 PolarHBondContact O-N 3.4Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 3.38Å; T266-Q269 PolarHBondContact O-N 2.93Å; T266-Q270 WeakPolarHBondContact O-CG 3.35Å; T266-Q270 PolarHBondContact O-N 3.35Å
267K95.3Very high94.1Very high128 Ų128102 Ų10256%0.55750%0.498SS*.Hα-helixtrans-66.1-41.8176.3-68.6-70.7-179.7173.30111.6Q263 L264 Q269 Q270 I271Q263-K267 VanDerWaalsContact O-CG 3.27Å; Q263-K267 WeakPolarHBondContact O-CG 3.39Å; Q263-K267 PolarHBondContact O-N 2.84Å; L264-K267 PolarHBondContact O-N 3.06Å; L264-K267 VanDerWaalsContact O-N 3.13Å; K267-Q269 VanDerWaalsContact C-N 3.31Å; K267-Q269 PolarHBondContact O-N 3.5Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.87Å; K267-I271 VanDerWaalsContact O-CG1 3.29Å; K267-I271 WeakPolarHBondContact O-CG1 3.41Å; K267-I271 PolarHBondContact O-N 3.45Å
268D95.5Very high93.4Very high69 Ų69101.4 Ų101.437%0.36950%0.501SS..Hα-helixtrans-61.7-38.5175.4-71.6-20.9000111.8L264 N265 I271 K272L264-D268 VanDerWaalsContact CD2-OD2 3.31Å; L264-D268 WeakPolarHBondContact CD2-OD2 3.48Å; L264-D268 PolarHBondContact O-N 3.28Å; N265-D268 PolarHBondContact O-N 3.07Å; D268-I271 PolarHBondContact O-N 3.12Å; D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 2.98Å
269Q95.5Very high92.7Very high101 Ų101103.2 Ų103.247%0.47251%0.506SS..Hα-helixtrans-66.3-41.2173.6-72.3173.919.300112.2N265 T266 K267 I271 K272 Q273N265-Q269 VanDerWaalsContact O-CG 3.3Å; N265-Q269 WeakPolarHBondContact O-CG 3.25Å; N265-Q269 PolarHBondContact O-N 3.3Å; N265-Q269 PolarHBondContact OD1-NE2 2.96Å; T266-Q269 PolarHBondContact O-N 2.93Å; K267-Q269 VanDerWaalsContact C-N 3.31Å; K267-Q269 PolarHBondContact O-N 3.5Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; Q269-K272 PolarHBondContact O-N 3.37Å; Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.86Å
270Q94.8Very high91.7Very high91 Ų91105.6 Ų105.643%0.42551%0.512SS..Hα-helixtrans-62.6-40.7174.2-72.9177.6-17.400111.6T266 K267 Q273 M274T266-Q270 WeakPolarHBondContact O-CG 3.35Å; T266-Q270 PolarHBondContact O-N 3.35Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.87Å; Q270-Q273 PolarHBondContact O-N 3.37Å; Q270-M274 WeakPolarHBondContact O-CG 3.36Å; Q270-M274 PolarHBondContact O-N 2.96Å
271I94.2Very high90.7Very high74 Ų74103.7 Ų103.738%0.37951%0.508SS..Hα-helixtrans-62.2-48.4175.7-68.5167000110.3K267 D268 Q269 Q273 M274 E275K267-I271 VanDerWaalsContact O-CG1 3.29Å; K267-I271 WeakPolarHBondContact O-CG1 3.41Å; K267-I271 PolarHBondContact O-N 3.45Å; D268-I271 PolarHBondContact O-N 3.12Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.38Å; I271-M274 HydrophobicContact CB-CE 4.44Å; I271-M274 HydrophobicContact CG1-CE 4.02Å; I271-M274 PolarHBondContact O-N 3.42Å; I271-M274 VanDerWaalsContact O-N 3.12Å; I271-E275 HydrophobicContact CG2-CG 4.38Å; I271-E275 WeakPolarHBondContact O-CG 3.27Å; I271-E275 PolarHBondContact O-N 3.5Å
272K93.8Very high89.2Confident123 Ų123104.3 Ų104.354%0.53551%0.514SS..Hα-helixtrans-58.6-41.6175.9-74.2174.7-178.2177.80112.9D268 Q269 E275 E276D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 2.98Å; Q269-K272 PolarHBondContact O-N 3.37Å; K272-E275 PolarHBondContact O-N 3.17Å; K272-E276 WeakPolarHBondContact O-CB 3.45Å; K272-E276 WeakPolarHBondContact O-CG 3.17Å; K272-E276 PolarHBondContact O-N 3.38Å
273Q93.5Very high87.6Confident110 Ų110106 Ų10651%0.51452%0.524SS..Hα-helixtrans-62.3-43.4175-74.4174.7-5.600111.7Q269 Q270 I271 E276 H277Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.86Å; Q270-Q273 PolarHBondContact O-N 3.37Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.38Å; Q273-E276 PolarHBondContact O-N 3.18Å; Q273-H277 PolarHBondContact O-CD2 3.05Å; Q273-H277 PolarHBondContact O-N 3.16Å
274M91Very high85.6Confident112 Ų112107 Ų10755%0.55253%0.533SS*.Hα-helixtrans-63.7-42.9175.8-70.2-175.7-61.900111.8Q270 I271 H277 I278Q270-M274 WeakPolarHBondContact O-CG 3.36Å; Q270-M274 PolarHBondContact O-N 2.96Å; I271-M274 HydrophobicContact CB-CE 4.44Å; I271-M274 HydrophobicContact CG1-CE 4.02Å; I271-M274 PolarHBondContact O-N 3.42Å; I271-M274 VanDerWaalsContact O-N 3.12Å; M274-H277 PolarHBondContact O-N 3.23Å; M274-I278 VanDerWaalsContact O-CG1 3.27Å; M274-I278 WeakPolarHBondContact O-CG1 3.4Å; M274-I278 PolarHBondContact O-N 2.96Å
275E90.9Very high83.5Confident102 Ų102106.8 Ų106.848%0.47753%0.533SS..Hα-helixtrans-60-45.2174.5-71.7174.3165.800111.2I271 K272 H277 I278 H279I271-E275 HydrophobicContact CG2-CG 4.38Å; I271-E275 WeakPolarHBondContact O-CG 3.27Å; I271-E275 PolarHBondContact O-N 3.5Å; K272-E275 PolarHBondContact O-N 3.17Å; E275-H277 PolarHBondContact O-N 3.1Å; E275-I278 PolarHBondContact O-N 3.37Å; E275-H279 WeakPolarHBondContact O-CB 3.38Å; E275-H279 PolarHBondContact O-CD2 3.35Å; E275-H279 PolarHBondContact O-N 3.48Å
276E88.4Confident81.4Confident113 Ų113107.3 Ų107.353%0.52854%0.543SS..Hα-helixtrans-59.7-46.4174.8-76.2173.5-169.500111.5K272 Q273 I278 H279 H280K272-E276 WeakPolarHBondContact O-CB 3.45Å; K272-E276 WeakPolarHBondContact O-CG 3.17Å; K272-E276 PolarHBondContact O-N 3.38Å; Q273-E276 PolarHBondContact O-N 3.18Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.48Å; E276-H279 PolarHBondContact O-N 3.3Å; E276-H280 WeakPolarHBondContact O-CB 3.43Å; E276-H280 PolarHBondContact O-N 3.46Å; E276-H280 PolarHBondContact O-ND1 3.07Å
277H86.5Confident79.2Confident140 Ų140110.7 Ų110.765%0.64856%0.559SS**Hα-helixtrans-62-38.4176.9-79.5-66.8000112.6Q273 M274 E275 S281Q273-H277 PolarHBondContact O-CD2 3.05Å; Q273-H277 PolarHBondContact O-N 3.16Å; M274-H277 PolarHBondContact O-N 3.23Å; E275-H277 PolarHBondContact O-N 3.1Å; H277-S281 VanDerWaalsContact O-CB 3.3Å; H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.67Å
278I82.6Confident76.7Confident116 Ų116111.5 Ų111.560%0.59557%0.569SS**Hα-helixtrans-66.7-43.1175.2-67.8166.7000110.5M274 E275 E276 S281 N282M274-I278 VanDerWaalsContact O-CG1 3.27Å; M274-I278 WeakPolarHBondContact O-CG1 3.4Å; M274-I278 PolarHBondContact O-N 2.96Å; E275-I278 PolarHBondContact O-N 3.37Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.48Å; I278-S281 PolarHBondContact O-N 2.83Å; I278-N282 WeakPolarHBondContact O-CB 3.45Å; I278-N282 PolarHBondContact O-N 3.34Å
279H78.8Confident74.3Confident132 Ų132114 Ų11461%0.61159%0.587SS**Hα-helixtrans-66.4-41.8177.5-78-60.8000113E275 E276 N282 N283E275-H279 WeakPolarHBondContact O-CB 3.38Å; E275-H279 PolarHBondContact O-CD2 3.35Å; E275-H279 PolarHBondContact O-N 3.48Å; E276-H279 PolarHBondContact O-N 3.3Å; H279-N282 PolarHBondContact O-N 3.39Å; H279-N283 PolarHBondContact O-N 3.04Å
280H75.6Confident71.8Confident123 Ų123117.8 Ų117.857%0.56961%0.605SS**Hα-helixtrans-66.4-37.9176.1-73.686.9000112E276 N284E276-H280 WeakPolarHBondContact O-CB 3.43Å; E276-H280 PolarHBondContact O-N 3.46Å; E276-H280 PolarHBondContact O-ND1 3.07Å; H280-N284 PolarHBondContact O-N 2.81Å
281S73.4Confident69.4Low70 Ų70119 Ų11949%0.4962%0.623SS.*Hα-helixtrans-64.9-39.1175-171.70000111.8H277 I278H277-S281 VanDerWaalsContact O-CB 3.3Å; H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.67Å; I278-S281 PolarHBondContact O-N 2.83Å
282N64Low67.4Low113 Ų113118.9 Ų118.960%0.60463%0.629SS**Hα-helixtrans-74.6-32.3-179.6-152.219.1000113.1I278 H279 N284 N285I278-N282 WeakPolarHBondContact O-CB 3.45Å; I278-N282 PolarHBondContact O-N 3.34Å; H279-N282 PolarHBondContact O-N 3.39Å; N282-N284 VanDerWaalsContact C-N 3.33Å; N282-N284 PolarHBondContact O-N 3.36Å; N282-N285 PolarHBondContact O-N 2.81Å
283N61.1Low65.5Low136 Ų136119.9 Ų119.973%0.72764%0.639SS**Hα-helixtrans-72.4-25.8178.3-122.92.6000113.2H279H279-N283 PolarHBondContact O-N 3.04Å
284N55.6Low63.7Low132 Ų132120.2 Ų120.271%0.70665%0.652SS**Hα-helixtrans-81-15.3176-75.1-17.2000113.6H280 N282H280-N284 PolarHBondContact O-N 2.81Å; N282-N284 VanDerWaalsContact C-N 3.33Å; N282-N284 PolarHBondContact O-N 3.36Å
285N52.4Low62Low105 Ų105119.1 Ų119.156%0.56165%0.648SS**THydrogen-bonded Turntrans-95.310.1-176.1-79.3-12.1000115N282 N287N282-N285 PolarHBondContact O-N 2.81Å; N285-N287 VanDerWaalsContact C-N 3.29Å; N285-N287 PolarHBondContact O-N 3.45Å
286S51.8Low60.2Low98 Ų98119 Ų11969%0.68565%0.65SS**THydrogen-bonded Turntrans-84.35.1175.1-72.60000114.8
287N48.3Very low58.7Low136 Ų136120.5 Ų120.573%0.72766%0.659SS**SBendtrans-118115.7171.4-68.7-32.2000109.5N285N285-N287 VanDerWaalsContact C-N 3.29Å; N285-N287 PolarHBondContact O-N 3.45Å
288N43.5Very low57.6Low146 Ų146117.1 Ų117.178%0.78165%0.651SS**SBendtrans82.6101.3165.2-59-20.6000117.5
289T44.3Very low56.6Low120 Ų120117.8 Ų117.874%0.73665%0.65SS**  52.998.9129.447.90000117.4
290E42.7Very low55.5Low181 Ų181115.2 Ų115.285%0.84665%0.647SS**SBend45.6109.5124.7-62.3-178.7174.500117.4
291S45Very low54.6Low116 Ų116115 Ų11581%0.81165%0.649SS**SBendtrans89.445145.1-48.70000120.1
292S52.8Low53.8Low73 Ų73116.3 Ų116.351%0.5165%0.649SS.*  trans-14013.2170.7-86.40000118.9C294 I295S292-C294 VanDerWaalsContact C-N 3.27Å; S292-C294 PolarHBondContact O-N 3.42Å; S292-I295 PolarHBondContact O-N 3.03Å; S292-I295 VanDerWaalsContact O-N 3.16Å
293I54.1Low53.6Low143 Ų143114.5 Ų114.573%0.73365%0.65SS**THydrogen-bonded Turntrans-65.5-17.3-167.3-65.4171.2000115.3
294C54.3Low53.3Low117 Ų117115.6 Ų115.679%0.79165%0.651SS**THydrogen-bonded Turntrans-84.8-10.3177.3-67.50000115.2S292S292-C294 VanDerWaalsContact C-N 3.27Å; S292-C294 PolarHBondContact O-N 3.42Å
295I55.8Low53.3Low90 Ų90116.4 Ų116.446%0.46266%0.655SS.*THydrogen-bonded Turntrans-94.5-24.6-169.7-63173.7000112.5S292 S298 K299S292-I295 PolarHBondContact O-N 3.03Å; S292-I295 VanDerWaalsContact O-N 3.16Å; I295-S298 PolarHBondContact O-N 3.02Å; I295-K299 HydrophobicContact CG2-CD 4.34Å; I295-K299 PolarHBondContact O-N 2.85Å
296D53.5Low53.5Low100 Ų100117.2 Ų117.254%0.53566%0.658SS.*Hα-helixtrans-85.2-27.3-167-75.5-19.6000115.3S298 K299 S300D296-S298 PolarHBondContact O-N 3.44Å; D296-K299 PolarHBondContact O-N 3.27Å; D296-S300 PolarHBondContact O-N 3.46Å
297M55.8Low53Low144 Ų144117.8 Ų117.871%0.70966%0.662SS**Hα-helixtrans-63.1-31.1170.5-84.4-175.7-80.600112.1L301M297-L301 PolarHBondContact O-N 2.79Å
298S64.5Low52.8Low69 Ų69116.8 Ų116.848%0.48366%0.662SS.*Hα-helixtrans-71.4-37.4176.3-60.60000111.3I295 D296 I302I295-S298 PolarHBondContact O-N 3.02Å; D296-S298 PolarHBondContact O-N 3.44Å; S298-I302 WeakPolarHBondContact O-CB 3.29Å; S298-I302 WeakPolarHBondContact O-CD1 3.3Å; S298-I302 WeakPolarHBondContact O-CG1 3.46Å; S298-I302 PolarHBondContact O-N 2.95Å; S298-I302 VanDerWaalsContact O-N 3.1Å
299K60.6Low52.6Low130 Ų130118.5 Ų118.557%0.56567%0.666SS**Hα-helixtrans-73-34.2-178.4-70.9178.4-179168.40113.3I295 D296 I302 A303I295-K299 HydrophobicContact CG2-CD 4.34Å; I295-K299 PolarHBondContact O-N 2.85Å; D296-K299 PolarHBondContact O-N 3.27Å; K299-I302 PolarHBondContact O-N 2.96Å; K299-A303 PolarHBondContact O-N 3Å
300S56.9Low52.4Low78 Ų78119.5 Ų119.555%0.54567%0.672SS.*Hα-helixtrans-69.4-43.1177.2-165.70000112.1D296 I302 A303 E304D296-S300 PolarHBondContact O-N 3.46Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 3.25Å; S300-A303 PolarHBondContact O-N 3.16Å; S300-E304 PolarHBondContact O-N 3.37Å
301L55.7Low52.9Low117 Ų117116.1 Ų116.161%0.61367%0.665SS**Hα-helixtrans-67.4-27.5174.7-80.8163.9000112.5M297 L305M297-L301 PolarHBondContact O-N 2.79Å; L301-L305 WeakPolarHBondContact O-CD1 3.37Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å
302I57.9Low53.4Low98 Ų98115.8 Ų115.850%0.50366%0.66SS.*Hα-helixtrans-78.6-34176.5-68.8166.3000111.8S298 K299 S300 I306S298-I302 WeakPolarHBondContact O-CB 3.29Å; S298-I302 WeakPolarHBondContact O-CD1 3.3Å; S298-I302 WeakPolarHBondContact O-CG1 3.46Å; S298-I302 PolarHBondContact O-N 2.95Å; S298-I302 VanDerWaalsContact O-N 3.1Å; K299-I302 PolarHBondContact O-N 2.96Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 3.25Å; I302-I306 HydrophobicContact CG2-CD1 3.74Å; I302-I306 WeakPolarHBondContact O-CD1 3.47Å; I302-I306 WeakPolarHBondContact O-CG1 3.32Å
303A58.3Low53.4Low75 Ų75118.6 Ų118.662%0.6268%0.677SS**Hα-helixtrans-70.9-32.8177.700000112.9K299 S300 L305K299-A303 PolarHBondContact O-N 3Å; S300-A303 PolarHBondContact O-N 3.16Å; A303-L305 VanDerWaalsContact C-N 3.28Å; A303-L305 PolarHBondContact O-N 3.46Å
304E55.2Low53.1Low159 Ų159120.5 Ų120.574%0.74368%0.683SS**THydrogen-bonded Turntrans-79.1-10.9-179.5-156154.7-166.600113.3S300S300-E304 PolarHBondContact O-N 3.37Å
305L55.4Low53.2Low150 Ų150119 Ų11979%0.78567%0.667SS**THydrogen-bonded Turntrans-98.2-0.8177.1-69.3174.8000114.4L301 A303L301-L305 WeakPolarHBondContact O-CD1 3.37Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å; A303-L305 VanDerWaalsContact C-N 3.28Å; A303-L305 PolarHBondContact O-N 3.46Å
306I58.1Low53.8Low122 Ų122118.8 Ų118.863%0.62667%0.669SS**SBendtrans-119.80.4-167.4-63.2175.6000115.2I302I302-I306 HydrophobicContact CG2-CD1 3.74Å; I302-I306 WeakPolarHBondContact O-CD1 3.47Å; I302-I306 WeakPolarHBondContact O-CG1 3.32Å
307S41.2Very low54.5Low110 Ų110121.4 Ų121.477%0.76968%0.678SS**  trans-146.4121.8171.9-105.70000115.5
308P43.7Very low55.3Low114 Ų114122 Ų12274%0.7468%0.68SS**  trans-85160.5171.936.2-31000111.3
309E38.1Very low55.8Low183 Ų183124 Ų12486%0.85568%0.681SS**  trans81.186.5168.5-59.4-173.1141.500118.9
310T41.1Very low56.2Low140 Ų140121.9 Ų121.986%0.85968%0.676SS**  -166125.5128.1-0.70000111.2
311P53.1Low56.9Low110 Ų110120.8 Ų120.871%0.71467%0.665SS**PPolyproline II helixtrans-85.5141.7-174.832.5-31.2000112.4
312P54.7Low57.7Low109 Ų109123.4 Ų123.471%0.70867%0.672SS**PPolyproline II helixtrans-72.8158.4168.229.2-30.7000111.5Q314P312-Q314 PolarHBondContact O-N 3.49Å
313P53.7Low58.1Low133 Ų133127 Ų12786%0.86468%0.679SS**PPolyproline II helixtrans-62.1127.8-167.9-16.929.2000112.9L315P313-L315 PolarHBondContact O-N 2.7Å
314Q48Very low58.3Low183 Ų183126.2 Ų126.286%0.85566%0.664SS**PPolyproline II helixtrans-75.4119.7179.3-66.7176.3-15.900111P312 T316P312-Q314 PolarHBondContact O-N 3.49Å; Q314-T316 PolarHBondContact O-N 2.84Å
315L56.7Low58.6Low86 Ų86123.3 Ų123.345%0.4565%0.654SS.*PPolyproline II helixtrans-64.3127.8161.5-128.6102.8000107.8P313 E317 Q319 L320P313-L315 PolarHBondContact O-N 2.7Å; L315-E317 PolarHBondContact O-N 3.28Å; L315-Q319 HydrophobicContact CD2-CB 3.9Å; L315-L320 HydrophobicContact CD2-CG 4.2Å
316T66.8Low59Low84 Ų84120.4 Ų120.452%0.51565%0.651SS.*PPolyproline II helixtrans-60.1139.4178.74.80000110.8Q314 E318 Q319 L320Q314-T316 PolarHBondContact O-N 2.84Å; T316-E318 PolarHBondContact O-N 2.82Å; T316-E318 VanDerWaalsContact O-N 3.12Å; T316-Q319 WeakPolarHBondContact O-CA 3.43Å; T316-Q319 WeakPolarHBondContact O-CB 3.49Å; T316-Q319 PolarHBondContact O-N 3.07Å; T316-L320 PolarHBondContact O-N 3.42Å
317E68.3Low59.1Low155 Ų155120.5 Ų120.572%0.72465%0.649SS**Hα-helixtrans-50.9-37.3179.9-169168.3-166.600112.3L315 Q319 L320 V321L315-E317 PolarHBondContact O-N 3.28Å; E317-Q319 VanDerWaalsContact C-N 3.35Å; E317-Q319 PolarHBondContact O-N 3.34Å; E317-L320 PolarHBondContact O-N 2.92Å; E317-V321 WeakPolarHBondContact O-CB 3.48Å; E317-V321 WeakPolarHBondContact O-CG2 3.22Å; E317-V321 PolarHBondContact O-N 3.47Å
318E73.7Confident59.9Low158 Ų158118.6 Ų118.674%0.73865%0.647SS**Hα-helixtrans-62.5-35.3174.8-66.4-174.2158.100114.1T316 V321 K322T316-E318 PolarHBondContact O-N 2.82Å; T316-E318 VanDerWaalsContact O-N 3.12Å; E318-V321 PolarHBondContact O-N 3.47Å; E318-K322 PolarHBondContact O-N 3.49Å
319Q73.8Confident60.6Low109 Ų109119 Ų11951%0.50964%0.637SS.*Hα-helixtrans-73.5-35.2177.7-70-176.9-2.200111.4L315 T316 E317 R323L315-Q319 HydrophobicContact CD2-CB 3.9Å; T316-Q319 WeakPolarHBondContact O-CA 3.43Å; T316-Q319 WeakPolarHBondContact O-CB 3.49Å; T316-Q319 PolarHBondContact O-N 3.07Å; E317-Q319 VanDerWaalsContact C-N 3.35Å; E317-Q319 PolarHBondContact O-N 3.34Å; Q319-R323 PolarHBondContact O-N 3.22Å
320L69.6Low61.7Low86 Ų86116.9 Ų116.945%0.4563%0.629SS.*Hα-helixtrans-65-44.8170.4-81.7160.3000110.8L315 T316 E317 K322 R323 L324L315-L320 HydrophobicContact CD2-CG 4.2Å; T316-L320 PolarHBondContact O-N 3.42Å; E317-L320 PolarHBondContact O-N 2.92Å; L320-K322 PolarHBondContact O-N 2.81Å; L320-R323 PolarHBondContact O-N 2.97Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.24Å
321V70.9Confident62.4Low55 Ų55113.9 Ų113.933%0.33361%0.607SS.*Hα-helixtrans-62.6-43.9-178.7170.70000112.3E317 E318 L324 N325 I331E317-V321 WeakPolarHBondContact O-CB 3.48Å; E317-V321 WeakPolarHBondContact O-CG2 3.22Å; E317-V321 PolarHBondContact O-N 3.47Å; E318-V321 PolarHBondContact O-N 3.47Å; V321-L324 PolarHBondContact O-N 3.17Å; V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 3.45Å; V321-I331 VanDerWaalsContact CA-CD1 3.41Å; V321-I331 HydrophobicContact CB-CD1 3.82Å; V321-I331 HydrophobicContact CG1-CD1 3.87Å; V321-I331 HydrophobicContact CG2-CD1 3.66Å
322K72.7Confident62.8Low172 Ų172111.6 Ų111.675%0.74859%0.588SS**Hα-helixtrans-64-40.1176.1-101.7178.6176.8172.20113.2E318 L320 A326E318-K322 PolarHBondContact O-N 3.49Å; L320-K322 PolarHBondContact O-N 2.81Å; K322-A326 PolarHBondContact O-N 3.39Å
323R67.6Low63.2Low175 Ų175111.7 Ų111.766%0.6658%0.583SS**Hα-helixtrans-68.6-40.5178.3-83.7-170.7173.7153.6-0.8112.1Q319 L320 A326 E327Q319-R323 PolarHBondContact O-N 3.22Å; L320-R323 PolarHBondContact O-N 2.97Å; R323-A326 PolarHBondContact O-N 2.99Å; R323-E327 PolarHBondContact O-N 3.1Å
324L61.5Low63.8Low57 Ų57110.8 Ų110.830%0.29858%0.58SS.*Hα-helixtrans-73.9-35.9-176.9-70.1166.3000112.6L320 V321 A326 E327 K329 I331L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.24Å; V321-L324 PolarHBondContact O-N 3.17Å; L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 2.76Å; L324-E327 PolarHBondContact O-N 3.41Å; L324-K329 HydrophobicContact CD2-CD 4.29Å; L324-K329 PolarHBondContact O-N 2.89Å; L324-I331 HydrophobicContact CB-CD1 3.69Å; L324-I331 HydrophobicContact CB-CG1 3.71Å; L324-I331 HydrophobicContact CD1-CD1 3.93Å; L324-I331 HydrophobicContact CD1-CG1 3.95Å; L324-I331 HydrophobicContact CG-CD1 4.46Å; L324-I331 HydrophobicContact CG-CG1 4.47Å
325N62.4Low64.8Low98 Ų98113 Ų11352%0.52458%0.58SS.*Hα-helixtrans-67.3-29174.4-77.4-17.7000113.1V321 E327 G328V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 3.45Å; N325-E327 VanDerWaalsContact C-N 3.33Å; N325-G328 PolarHBondContact O-N 3.03Å
326A62.9Low65.6Low89 Ų89112.4 Ų112.474%0.73658%0.577SS**Hα-helixtrans-71.9-26.917500000112.9K322 R323 L324 G328K322-A326 PolarHBondContact O-N 3.39Å; R323-A326 PolarHBondContact O-N 2.99Å; L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 2.76Å; A326-G328 VanDerWaalsContact C-N 3.29Å; A326-G328 PolarHBondContact O-N 3.06Å
327E61.6Low65.9Low124 Ų124114.4 Ų114.458%0.57959%0.592SS**THydrogen-bonded Turntrans-85.85.8177.3-73.8-176.5-179.900113.6R323 L324 N325 K329R323-E327 PolarHBondContact O-N 3.1Å; L324-E327 PolarHBondContact O-N 3.41Å; N325-E327 VanDerWaalsContact C-N 3.33Å; E327-K329 HydrophobicContact CB-CD 4.4Å; E327-K329 HydrophobicContact CB-CG 4.37Å; E327-K329 PolarHBondContact O-N 2.89Å; E327-K329 IonicContact OE2-NZ 2.67Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å
328G56.3Low66.1Low71 Ų71113.7 Ų113.773%0.73259%0.593SS**THydrogen-bonded Turntrans67.112.6-175.900000113.8N325 A326 M330N325-G328 PolarHBondContact O-N 3.03Å; A326-G328 VanDerWaalsContact C-N 3.29Å; A326-G328 PolarHBondContact O-N 3.06Å; G328-M330 PolarHBondContact O-N 2.93Å
329K59.8Low66Low121 Ų121111 Ų11153%0.52658%0.576SS.*  trans-87.4100174.9-69.1175.3-174.5156.30108.1L324 E327 I331L324-K329 HydrophobicContact CD2-CD 4.29Å; L324-K329 PolarHBondContact O-N 2.89Å; E327-K329 HydrophobicContact CB-CD 4.4Å; E327-K329 HydrophobicContact CB-CG 4.37Å; E327-K329 PolarHBondContact O-N 2.89Å; E327-K329 IonicContact OE2-NZ 2.67Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å; K329-I331 PolarHBondContact O-N 3.35Å; K329-I331 VanDerWaalsContact O-N 3.11Å
330M60.3Low65.9Low140 Ų140109.7 Ų109.769%0.6958%0.577SS**  trans-60.1113.9174-153.5179.679.600108.6G328 I332G328-M330 PolarHBondContact O-N 2.93Å; M330-I332 HydrophobicContact CE-CD1 4.11Å; M330-I332 HydrophobicContact CE-CG1 3.84Å; M330-I332 WeakPolarHBondContact O-CG1 3.32Å; M330-I332 PolarHBondContact O-N 3.03Å
331I57.2Low66Low76 Ų76111.9 Ų111.939%0.3958%0.584SS.*  trans-73.5111.8174.8-55.9168.3000106.2V321 L324 K329V321-I331 VanDerWaalsContact CA-CD1 3.41Å; V321-I331 HydrophobicContact CB-CD1 3.82Å; V321-I331 HydrophobicContact CG1-CD1 3.87Å; V321-I331 HydrophobicContact CG2-CD1 3.66Å; L324-I331 HydrophobicContact CB-CD1 3.69Å; L324-I331 HydrophobicContact CB-CG1 3.71Å; L324-I331 HydrophobicContact CD1-CD1 3.93Å; L324-I331 HydrophobicContact CD1-CG1 3.95Å; L324-I331 HydrophobicContact CG-CD1 4.46Å; L324-I331 HydrophobicContact CG-CG1 4.47Å; K329-I331 PolarHBondContact O-N 3.35Å; K329-I331 VanDerWaalsContact O-N 3.11Å
332I60.7Low66.4Low62 Ų62115.4 Ų115.432%0.31860%0.596SS.*  trans-98.9117.7177.6-41174.8000106.7M330 S334 R339M330-I332 HydrophobicContact CE-CD1 4.11Å; M330-I332 HydrophobicContact CE-CG1 3.84Å; M330-I332 WeakPolarHBondContact O-CG1 3.32Å; M330-I332 PolarHBondContact O-N 3.03Å; I332-S334 PolarHBondContact O-N 3.03Å; I332-S334 VanDerWaalsContact O-N 3.12Å; I332-R339 HydrophobicContact CG2-CB 4.48Å; I332-R339 HydrophobicContact CG2-CG 3.47Å; I332-R339 VanDerWaalsContact CG2-CG 3.47Å
333D62.7Low67Low112 Ų112110.6 Ų110.660%0.59958%0.581SS**  trans-60.3114.7-178.9-155.6-11.3000109.4R335 D336D333-R335 PolarHBondContact O-N 2.84Å; D333-D336 PolarHBondContact O-N 3.36Å
334S66.4Low67.7Low114 Ų114109 Ų10980%0.79759%0.585SS**THydrogen-bonded Turntrans-66.7-9.3-173.7-68.80000113.1I332I332-S334 PolarHBondContact O-N 3.03Å; I332-S334 VanDerWaalsContact O-N 3.12Å
335R69.4Low68.8Low230 Ų230111.2 Ų111.287%0.86859%0.593SS**THydrogen-bonded Turntrans-104.6-1.7-177.3-66.7-175.9178173.51.6114.6D333 P337D333-R335 PolarHBondContact O-N 2.84Å; R335-P337 VanDerWaalsContact O-CD 3.24Å; R335-P337 WeakPolarHBondContact O-CD 3.31Å
336D72.4Confident70.1Confident73 Ų73110.9 Ų110.939%0.3959%0.589SS.*  trans-80.6114.4178.4-175.43.4000111D333 N338 R339D333-D336 PolarHBondContact O-N 3.36Å; D336-N338 PolarHBondContact O-N 3.38Å; D336-N338 PolarHBondContact OD1-N 2.73Å; D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 WeakPolarHBondContact O-CB 3.2Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 VanDerWaalsContact O-N 3.14Å
337P74.6Confident71.4Confident125 Ų125110.6 Ų110.681%0.81257%0.574SS**THydrogen-bonded Turntrans-65.1-18.1175.326.2-33.1000113.5R335R335-P337 VanDerWaalsContact O-CD 3.24Å; R335-P337 WeakPolarHBondContact O-CD 3.31Å
338N73Confident72.7Confident140 Ų140112.1 Ų112.175%0.74958%0.575SS**THydrogen-bonded Turntrans-96.811.4176.1-60.2-55.1000113D336D336-N338 PolarHBondContact O-N 3.38Å; D336-N338 PolarHBondContact OD1-N 2.73Å
339R71.4Confident74.2Confident102 Ų102112.6 Ų112.639%0.38556%0.56SS.*  trans-52.2125.9174.9171.8170.1-176.4-107.4-1.4109.8I332 D336 H341I332-R339 HydrophobicContact CG2-CB 4.48Å; I332-R339 HydrophobicContact CG2-CG 3.47Å; I332-R339 VanDerWaalsContact CG2-CG 3.47Å; D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 WeakPolarHBondContact O-CB 3.2Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 VanDerWaalsContact O-N 3.14Å; R339-H341 PolarHBondContact O-N 2.85Å
340P70.8Confident75.7Confident82 Ų82110.2 Ų110.253%0.53256%0.556SS.*  trans-61.2103.7175.120.6-27.9000108.8F342P340-F342 HydrophobicContact CB-CE2 4.18Å; P340-F342 HydrophobicContact CB-CZ 4.49Å
341H72.2Confident77.1Confident131 Ų131106.8 Ų106.861%0.60654%0.54SS*.  trans-108.5104.3180-175.8-70.9000107.6R339R339-H341 PolarHBondContact O-N 2.85Å
342F79.8Confident78.6Confident130 Ų130106.8 Ų106.857%0.5754%0.54SS*.  trans-89.6127.3169.9-56.5-78.7000108.6P340 E346 L347P340-F342 HydrophobicContact CB-CE2 4.18Å; P340-F342 HydrophobicContact CB-CZ 4.49Å; F342-E346 HydrophobicContact CB-CB 4.49Å; F342-L347 HydrophobicContact CB-CB 4.39Å
343T83.4Confident80.2Confident71 Ų71109.2 Ų109.244%0.43655%0.55SS.*  trans-61.4146.9163.2-43.20000108.3Q345 E346 L347T343-Q345 HydrophobicContact CG2-CB 4.39Å; T343-Q345 PolarHBondContact O-N 2.93Å; T343-Q345 VanDerWaalsContact O-N 3.08Å; T343-E346 VanDerWaalsContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CB-OE2 3.39Å; T343-E346 PolarHBondContact N-OE2 3.48Å; T343-E346 WeakPolarHBondContact O-CA 3.36Å; T343-E346 WeakPolarHBondContact O-CB 3.37Å; T343-E346 PolarHBondContact O-N 2.95Å; T343-E346 PolarHBondContact OG1-OE2 2.84Å; T343-L347 PolarHBondContact O-N 3.29Å
344L82.9Confident81.6Confident141 Ų141108.8 Ų108.874%0.73854%0.54SS*.Hα-helixtrans-55.1-32.7177.3-170130.8000112R348L344-R348 WeakPolarHBondContact O-CB 3.18Å; L344-R348 PolarHBondContact O-N 3.48Å
345Q85.8Confident82.7Confident104 Ų104106.5 Ų106.549%0.48652%0.519SS..Hα-helixtrans-67.1-42172.4-170.660.734.500112.9T343 R348 N349T343-Q345 HydrophobicContact CG2-CB 4.39Å; T343-Q345 PolarHBondContact O-N 2.93Å; T343-Q345 VanDerWaalsContact O-N 3.08Å; Q345-R348 PolarHBondContact O-N 3.18Å; Q345-N349 PolarHBondContact NE2-OD1 2.92Å; Q345-N349 VanDerWaalsContact NE2-OD1 3.12Å; Q345-N349 WeakPolarHBondContact O-CB 3.24Å; Q345-N349 PolarHBondContact O-N 2.99Å; Q345-N349 PolarHBondContact O-OD1 3.3Å
346E88.2Confident83.8Confident90 Ų90100.2 Ų100.242%0.42150%0.499SS..Hα-helixtrans-65.4-43.5176.2-68.3170.3145.100110.7F342 T343 R348 N349 V350F342-E346 HydrophobicContact CB-CB 4.49Å; T343-E346 VanDerWaalsContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CB-OE2 3.39Å; T343-E346 PolarHBondContact N-OE2 3.48Å; T343-E346 WeakPolarHBondContact O-CA 3.36Å; T343-E346 WeakPolarHBondContact O-CB 3.37Å; T343-E346 PolarHBondContact O-N 2.95Å; T343-E346 PolarHBondContact OG1-OE2 2.84Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.17Å; E346-N349 PolarHBondContact O-N 2.65Å; E346-V350 WeakPolarHBondContact O-CB 3.49Å; E346-V350 VanDerWaalsContact O-CG2 3.28Å; E346-V350 WeakPolarHBondContact O-CG2 3.18Å; E346-V350 PolarHBondContact O-N 2.88Å
347L91.3Very high84.9Confident84 Ų84100.9 Ų100.944%0.4450%0.502SS..Hα-helixtrans-61.2-43175.4-175.663.3000111.2F342 T343 V350 L351F342-L347 HydrophobicContact CB-CB 4.39Å; T343-L347 PolarHBondContact O-N 3.29Å; L347-V350 PolarHBondContact O-N 3.37Å; L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.39Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 HydrophobicContact CG-CG 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.27Å
348R87.6Confident85.7Confident155 Ų155100.3 Ų100.359%0.58549%0.487SS*.Hα-helixtrans-60.4-46.5175-170.4177.9-171.7163.14.5111.4L344 Q345 E346 L351 I352L344-R348 WeakPolarHBondContact O-CB 3.18Å; L344-R348 PolarHBondContact O-N 3.48Å; Q345-R348 PolarHBondContact O-N 3.18Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.17Å; R348-L351 PolarHBondContact O-N 3.33Å; R348-I352 HydrophobicContact CG-CD1 3.98Å; R348-I352 WeakPolarHBondContact O-CD1 3.34Å; R348-I352 VanDerWaalsContact O-CG1 3.23Å; R348-I352 WeakPolarHBondContact O-CG1 3.42Å; R348-I352 PolarHBondContact O-N 3.47Å
349N88.7Confident86.3Confident81 Ų8194.9 Ų94.943%0.43346%0.459SS..Hα-helixtrans-61.5-45.4177.7-68.3-7.2000111.4Q345 E346 L351 I352 E353Q345-N349 PolarHBondContact NE2-OD1 2.92Å; Q345-N349 VanDerWaalsContact NE2-OD1 3.12Å; Q345-N349 WeakPolarHBondContact O-CB 3.24Å; Q345-N349 PolarHBondContact O-N 2.99Å; Q345-N349 PolarHBondContact O-OD1 3.3Å; E346-N349 PolarHBondContact O-N 2.65Å; N349-L351 PolarHBondContact O-N 3.47Å; N349-I352 PolarHBondContact O-N 3.26Å; N349-E353 WeakPolarHBondContact O-CB 3.34Å; N349-E353 PolarHBondContact O-N 3.42Å
350V90.6Very high87.3Confident72 Ų7297.2 Ų97.244%0.43647%0.468SS..Hα-helixtrans-63.6-39.8177.4170.40000111.5E346 L347 R354E346-V350 WeakPolarHBondContact O-CB 3.49Å; E346-V350 VanDerWaalsContact O-CG2 3.28Å; E346-V350 WeakPolarHBondContact O-CG2 3.18Å; E346-V350 PolarHBondContact O-N 2.88Å; L347-V350 PolarHBondContact O-N 3.37Å; V350-R354 WeakPolarHBondContact O-CB 3.3Å; V350-R354 PolarHBondContact O-N 3.12Å
351L90.8Very high88.3Confident67 Ų6798 Ų9835%0.35147%0.467SS..Hα-helixtrans-66.8-38.2176.8-71171.3000111.9L347 R348 N349 R354 N355L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.39Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 HydrophobicContact CG-CG 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.27Å; R348-L351 PolarHBondContact O-N 3.33Å; N349-L351 PolarHBondContact O-N 3.47Å; L351-R354 VanDerWaalsContact CD2-NH1 3.33Å; L351-R354 VanDerWaalsContact CD2-NH2 3.34Å; L351-R354 PolarHBondContact O-NH2 2.85Å; L351-N355 WeakPolarHBondContact O-CB 3.46Å; L351-N355 PolarHBondContact O-N 2.74Å; L351-N355 PolarHBondContact O-ND2 3.22Å; L351-N355 PolarHBondContact O-OD1 3.12Å
352I89.1Confident89Confident76 Ų7696.5 Ų96.539%0.3946%0.463SS..Hα-helixtrans-65.1-53.1173.8-68.9165.3000109.8R348 N349 R354 N355 E356R348-I352 HydrophobicContact CG-CD1 3.98Å; R348-I352 WeakPolarHBondContact O-CD1 3.34Å; R348-I352 VanDerWaalsContact O-CG1 3.23Å; R348-I352 WeakPolarHBondContact O-CG1 3.42Å; R348-I352 PolarHBondContact O-N 3.47Å; N349-I352 PolarHBondContact O-N 3.26Å; I352-R354 VanDerWaalsContact C-N 3.35Å; I352-R354 PolarHBondContact O-N 2.85Å; I352-N355 CarbonylContact O-C 3.6Å; I352-N355 WeakPolarHBondContact O-CA 3.3Å; I352-N355 WeakPolarHBondContact O-CB 3.45Å; I352-N355 PolarHBondContact O-N 2.94Å; I352-E356 HydrophobicContact CG2-CG 4.39Å; I352-E356 WeakPolarHBondContact O-CG 3.4Å; I352-E356 PolarHBondContact O-N 2.84Å
353E92.8Very high89.4Confident113 Ų11395 Ų9553%0.52846%0.457SS..Hα-helixtrans-58.6-44.9179.4-173.3-177.9178.600111.4N349 N355 E356 L357N349-E353 WeakPolarHBondContact O-CB 3.34Å; N349-E353 PolarHBondContact O-N 3.42Å; E353-N355 VanDerWaalsContact C-N 3.28Å; E353-N355 PolarHBondContact O-N 3.43Å; E353-E356 PolarHBondContact O-N 3.01Å; E353-L357 HydrophobicContact CG-CD1 4.01Å; E353-L357 HydrophobicContact CG-CG 4.35Å; E353-L357 WeakPolarHBondContact O-CB 3.43Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.34Å; E353-L357 PolarHBondContact O-N 3.47Å
354R93.2Very high89.7Confident104 Ų10495.1 Ų95.139%0.39246%0.458SS..Hα-helixtrans-57.8-41173.4176-14959.3-178.8-10.1111.6V350 L351 I352 K358V350-R354 WeakPolarHBondContact O-CB 3.3Å; V350-R354 PolarHBondContact O-N 3.12Å; L351-R354 VanDerWaalsContact CD2-NH1 3.33Å; L351-R354 VanDerWaalsContact CD2-NH2 3.34Å; L351-R354 PolarHBondContact O-NH2 2.85Å; I352-R354 VanDerWaalsContact C-N 3.35Å; I352-R354 PolarHBondContact O-N 2.85Å; R354-K358 HydrophobicContact CG-CD 4.45Å; R354-K358 WeakPolarHBondContact O-CB 3.4Å; R354-K358 VanDerWaalsContact O-CG 3.26Å; R354-K358 WeakPolarHBondContact O-CG 3.42Å; R354-K358 PolarHBondContact O-N 3.4Å
355N89.7Confident90Very high65 Ų6593.8 Ų93.835%0.34845%0.448SS..Hα-helixtrans-70.2-39.6178.3-73.6-5.2000111.6L351 I352 E353 K358 T359L351-N355 WeakPolarHBondContact O-CB 3.46Å; L351-N355 PolarHBondContact O-N 2.74Å; L351-N355 PolarHBondContact O-ND2 3.22Å; L351-N355 PolarHBondContact O-OD1 3.12Å; I352-N355 CarbonylContact O-C 3.6Å; I352-N355 WeakPolarHBondContact O-CA 3.3Å; I352-N355 WeakPolarHBondContact O-CB 3.45Å; I352-N355 PolarHBondContact O-N 2.94Å; E353-N355 VanDerWaalsContact C-N 3.28Å; E353-N355 PolarHBondContact O-N 3.43Å; N355-K358 PolarHBondContact O-N 3.3Å; N355-T359 PolarHBondContact O-N 3.09Å; N355-T359 PolarHBondContact O-OG1 3.2Å
356E92.2Very high89.9Confident98 Ų9892 Ų9246%0.45844%0.44SS..Hα-helixtrans-62.2-46.8173.5-70.8-179.4-176.300111.5I352 E353 T359 R360I352-E356 HydrophobicContact CG2-CG 4.39Å; I352-E356 WeakPolarHBondContact O-CG 3.4Å; I352-E356 PolarHBondContact O-N 2.84Å; E353-E356 PolarHBondContact O-N 3.01Å; E356-T359 WeakPolarHBondContact O-CB 2.95Å; E356-T359 PolarHBondContact O-N 3.45Å; E356-T359 VanDerWaalsContact O-N 3.16Å; E356-R360 PolarHBondContact O-N 3.31Å
357L94.4Very high89.9Confident87 Ų8793.1 Ų93.146%0.45545%0.445SS..Hα-helixtrans-64.9-39.7177.8-71.2174.1000112E353 T359 R360 L361E353-L357 HydrophobicContact CG-CD1 4.01Å; E353-L357 HydrophobicContact CG-CG 4.35Å; E353-L357 WeakPolarHBondContact O-CB 3.43Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.34Å; E353-L357 PolarHBondContact O-N 3.47Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.84Å; L357-R360 PolarHBondContact O-N 3.12Å; L357-L361 VanDerWaalsContact O-CB 3.31Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 2.99Å
358K91.5Very high89.7Confident114 Ų11493.6 Ų93.650%0.49645%0.447SS..Hα-helixtrans-60.2-39.7172.1-81.4179176.6-174.30111.9R354 N355 L361 I362R354-K358 HydrophobicContact CG-CD 4.45Å; R354-K358 WeakPolarHBondContact O-CB 3.4Å; R354-K358 VanDerWaalsContact O-CG 3.26Å; R354-K358 WeakPolarHBondContact O-CG 3.42Å; R354-K358 PolarHBondContact O-N 3.4Å; N355-K358 PolarHBondContact O-N 3.3Å; K358-L361 PolarHBondContact O-N 3.3Å; K358-I362 WeakPolarHBondContact O-CD1 2.91Å; K358-I362 VanDerWaalsContact O-CG1 3.29Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 2.76Å; K358-I362 VanDerWaalsContact O-N 3.08Å
359T86.9Confident89.4Confident26 Ų2688.9 Ų88.916%0.1644%0.438CS..Hα-helixtrans-64.9-49.2177.5-51.20000110.7F244 N355 E356 L357 L361 I362 E363F244-T359 HydrophobicContact CD1-CG2 4.42Å; F244-T359 HydrophobicContact CD2-CG2 4.06Å; F244-T359 HydrophobicContact CE1-CG2 3.98Å; F244-T359 HydrophobicContact CE2-CG2 3.58Å; F244-T359 WeakPolarHBondContact CE2-OG1 3.4Å; F244-T359 HydrophobicContact CG-CG2 4.47Å; F244-T359 HydrophobicContact CZ-CG2 3.56Å; F244-T359 WeakPolarHBondContact CZ-OG1 3.33Å; N355-T359 PolarHBondContact O-N 3.09Å; N355-T359 PolarHBondContact O-OG1 3.2Å; E356-T359 WeakPolarHBondContact O-CB 2.95Å; E356-T359 PolarHBondContact O-N 3.45Å; E356-T359 VanDerWaalsContact O-N 3.16Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.84Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 2.87Å; T359-I362 PolarHBondContact O-N 3.29Å; T359-E363 WeakPolarHBondContact O-CG 3.36Å; T359-E363 PolarHBondContact O-N 3.21Å
360R90.9Very high89Confident150 Ų15089.1 Ų89.157%0.56644%0.443SS*.Hα-helixtrans-60.8-38.5175.4-68.2-176.3-170.8170.57.3112.6E356 L357 E363 V364E356-R360 PolarHBondContact O-N 3.31Å; L357-R360 PolarHBondContact O-N 3.12Å; R360-E363 PolarHBondContact O-N 2.88Å; R360-V364 WeakPolarHBondContact O-CG2 3.4Å; R360-V364 PolarHBondContact O-N 2.98Å
361L92Very high88.5Confident98 Ų9893.5 Ų93.551%0.51345%0.452SS..Hα-helixtrans-61.8-45.7177.3-176.667.3000110.9L357 K358 T359 E363 V364 E365L357-L361 VanDerWaalsContact O-CB 3.31Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 2.99Å; K358-L361 PolarHBondContact O-N 3.3Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 2.87Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-V364 PolarHBondContact O-N 3.27Å; L361-E365 HydrophobicContact CD1-CG 4.44Å; L361-E365 HydrophobicContact CG-CG 4.41Å; L361-E365 WeakPolarHBondContact O-CB 3.3Å; L361-E365 VanDerWaalsContact O-CG 3.27Å; L361-E365 WeakPolarHBondContact O-CG 3.44Å; L361-E365 PolarHBondContact O-N 3.12Å
362I87.7Confident88.1Confident101 Ų10197 Ų9752%0.51847%0.465SS..Hα-helixtrans-62.5-42.6176.8-67.2164.1000111K358 T359 E365 E366K358-I362 WeakPolarHBondContact O-CD1 2.91Å; K358-I362 VanDerWaalsContact O-CG1 3.29Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 2.76Å; K358-I362 VanDerWaalsContact O-N 3.08Å; T359-I362 PolarHBondContact O-N 3.29Å; I362-E365 PolarHBondContact O-N 3.06Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 PolarHBondContact O-N 3.07Å
363E87.4Confident87.4Confident98 Ų98102.8 Ų102.846%0.45848%0.482SS..Hα-helixtrans-60-47.5176.2-71.2175.2172.100111.7T359 R360 L361 E366 E367T359-E363 WeakPolarHBondContact O-CG 3.36Å; T359-E363 PolarHBondContact O-N 3.21Å; R360-E363 PolarHBondContact O-N 2.88Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-E366 PolarHBondContact O-N 2.88Å; E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.03Å
364V89.9Confident86.4Confident74 Ų74100.3 Ų100.345%0.44848%0.481SS..Hα-helixtrans-68.2-41178.7172.50000111.8R360 L361 E366 E367 L368R360-V364 WeakPolarHBondContact O-CG2 3.4Å; R360-V364 PolarHBondContact O-N 2.98Å; L361-V364 PolarHBondContact O-N 3.27Å; V364-E366 VanDerWaalsContact C-N 3.26Å; V364-E366 PolarHBondContact O-N 3.43Å; V364-E367 PolarHBondContact O-N 3.32Å; V364-L368 HydrophobicContact CG1-CD1 4.03Å; V364-L368 HydrophobicContact CG1-CG 4.31Å; V364-L368 WeakPolarHBondContact O-CB 3.38Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.17Å; V364-L368 PolarHBondContact O-N 3.29Å
365E88.5Confident85Confident113 Ų11397.4 Ų97.453%0.52848%0.482SS..Hα-helixtrans-59.9-39.7174.3-78.7179.4164.800111.2L361 I362 S369L361-E365 HydrophobicContact CD1-CG 4.44Å; L361-E365 HydrophobicContact CG-CG 4.41Å; L361-E365 WeakPolarHBondContact O-CB 3.3Å; L361-E365 VanDerWaalsContact O-CG 3.27Å; L361-E365 WeakPolarHBondContact O-CG 3.44Å; L361-E365 PolarHBondContact O-N 3.12Å; I362-E365 PolarHBondContact O-N 3.06Å; E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.45Å
366E85.1Confident83.5Confident66 Ų66102 Ų10231%0.30850%0.499SS..Hα-helixtrans-67.2-46.9175.1177.1158.3-131.700112.2R240 I362 E363 V364 L368 S369 V370R240-E366 VanDerWaalsContact CZ-CD 3.43Å; R240-E366 IonicContact CZ-OE1 3.9Å; R240-E366 IonicContact CZ-OE2 2.6Å; R240-E366 VanDerWaalsContact CZ-OE2 3.3Å; R240-E366 IonicContact NE-OE2 2.71Å; R240-E366 IonicContact NH1-OE1 3.77Å; R240-E366 PolarHBondContact NH1-OE1 3.37Å; R240-E366 IonicContact NH1-OE2 3.78Å; R240-E366 PolarHBondContact NH1-OE2 2.94Å; R240-E366 IonicContact NH2-OE1 3.05Å; R240-E366 PolarHBondContact NH2-OE1 2.98Å; R240-E366 IonicContact NH2-OE2 3.02Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 PolarHBondContact O-N 3.07Å; E363-E366 PolarHBondContact O-N 2.88Å; V364-E366 VanDerWaalsContact C-N 3.26Å; V364-E366 PolarHBondContact O-N 3.43Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 3.47Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-OG 2.94Å; E366-V370 WeakPolarHBondContact O-CG2 3.33Å; E366-V370 PolarHBondContact O-N 3.48Å
367E87.1Confident81.5Confident114 Ų114102.2 Ų102.253%0.53351%0.512SS..Hα-helixtrans-57.1-47.5174.4-74.3-177.4-170.100111.1E363 V364 S369 V370 Y371E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.03Å; V364-E367 PolarHBondContact O-N 3.32Å; E367-S369 VanDerWaalsContact C-N 3.27Å; E367-S369 PolarHBondContact O-N 3.35Å; E367-V370 WeakPolarHBondContact O-CB 3.3Å; E367-V370 PolarHBondContact O-N 2.8Å; E367-V370 VanDerWaalsContact O-N 3.15Å; E367-Y371 HydrophobicContact CB-CE2 4.38Å; E367-Y371 WeakPolarHBondContact O-CD2 3.48Å; E367-Y371 PolarHBondContact O-N 3.11Å
368L86.7Confident79.4Confident93 Ų93103.9 Ų103.949%0.48753%0.526SS..Hα-helixtrans-61.3-34.4175.2-72.7175.7000112.3V364 E366 Y371 K372V364-L368 HydrophobicContact CG1-CD1 4.03Å; V364-L368 HydrophobicContact CG1-CG 4.31Å; V364-L368 WeakPolarHBondContact O-CB 3.38Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.17Å; V364-L368 PolarHBondContact O-N 3.29Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 3.47Å; L368-Y371 PolarHBondContact O-N 3.05Å; L368-K372 VanDerWaalsContact O-CB 3.31Å; L368-K372 WeakPolarHBondContact O-CB 3.32Å; L368-K372 WeakPolarHBondContact O-CG 3.36Å; L368-K372 PolarHBondContact O-N 2.89Å
369S81.8Confident77.6Confident57 Ų57103.3 Ų103.340%0.39954%0.536SS..Hα-helixtrans-66.5-38.8175.782.40000112E365 E366 E367 K372 R373E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.45Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-OG 2.94Å; E367-S369 VanDerWaalsContact C-N 3.27Å; E367-S369 PolarHBondContact O-N 3.35Å; S369-K372 PolarHBondContact O-N 2.84Å; S369-R373 WeakPolarHBondContact O-CB 3.47Å; S369-R373 PolarHBondContact O-N 3.36Å
370V81Confident75.5Confident86 Ų86108.8 Ų108.852%0.52156%0.56SS.*Hα-helixtrans-64.6-46.9175.2174.60000110.1E366 E367 R373 A374E366-V370 WeakPolarHBondContact O-CG2 3.33Å; E366-V370 PolarHBondContact O-N 3.48Å; E367-V370 WeakPolarHBondContact O-CB 3.3Å; E367-V370 PolarHBondContact O-N 2.8Å; E367-V370 VanDerWaalsContact O-N 3.15Å; V370-R373 PolarHBondContact O-N 2.74Å; V370-A374 WeakPolarHBondContact O-CB 3.49Å; V370-A374 PolarHBondContact O-N 3.15Å
371Y80.7Confident73.1Confident163 Ų163107.4 Ų107.464%0.63957%0.572SS**Hα-helixtrans-66.5-38.1176.9-67.8-64.5000112.8E367 L368 R373 A374 G375E367-Y371 HydrophobicContact CB-CE2 4.38Å; E367-Y371 WeakPolarHBondContact O-CD2 3.48Å; E367-Y371 PolarHBondContact O-N 3.11Å; L368-Y371 PolarHBondContact O-N 3.05Å; Y371-R373 VanDerWaalsContact C-N 3.32Å; Y371-R373 PolarHBondContact O-N 3.45Å; Y371-A374 PolarHBondContact O-N 3.25Å; Y371-G375 PolarHBondContact O-N 3.47Å
372K80.7Confident70.6Confident141 Ų141108.5 Ų108.561%0.61358%0.582SS**Hα-helixtrans-63.8-36.7173.3-81178.3179.3175.40111.9L368 S369 K376L368-K372 VanDerWaalsContact O-CB 3.31Å; L368-K372 WeakPolarHBondContact O-CB 3.32Å; L368-K372 WeakPolarHBondContact O-CG 3.36Å; L368-K372 PolarHBondContact O-N 2.89Å; S369-K372 PolarHBondContact O-N 2.84Å; K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 VanDerWaalsContact O-CG 3.23Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 2.92Å
373R75.7Confident68.4Low198 Ų198111.9 Ų111.975%0.74759%0.593SS**Hα-helixtrans-70.8-43.4175.7-172.5175.9-69.5175-0.9111.3S369 V370 Y371 S377S369-R373 WeakPolarHBondContact O-CB 3.47Å; S369-R373 PolarHBondContact O-N 3.36Å; V370-R373 PolarHBondContact O-N 2.74Å; Y371-R373 VanDerWaalsContact C-N 3.32Å; Y371-R373 PolarHBondContact O-N 3.45Å; R373-S377 PolarHBondContact O-OG 3.38Å
374A72.1Confident65.9Low61 Ų61118.1 Ų118.150%0.50461%0.612SS.*Hα-helixtrans-66.5-39.1177.300000112.6V370 Y371V370-A374 WeakPolarHBondContact O-CB 3.49Å; V370-A374 PolarHBondContact O-N 3.15Å; Y371-A374 PolarHBondContact O-N 3.25Å
375G63.7Low63.3Low42 Ų42126.6 Ų126.643%0.43364%0.636SS.*Hα-helixtrans-76.2-25.6-179.800000114.7Y371 S377 T378Y371-G375 PolarHBondContact O-N 3.47Å; G375-S377 VanDerWaalsContact C-N 3.34Å; G375-T378 PolarHBondContact O-OG1 2.92Å
376K56.9Low61.2Low162 Ų162128.9 Ų128.970%0.70465%0.652SS**Hα-helixtrans-72.7-26.3174.9-78.7176.8179.5-171.20112.8K372 T378K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 VanDerWaalsContact O-CG 3.23Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 2.92Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 3.48Å
377S49.8Very low59.4Low102 Ų102134.7 Ų134.771%0.71368%0.679SS**THydrogen-bonded Turntrans-73.3-11.6-179.1-60.40000114.5R373 G375R373-S377 PolarHBondContact O-OG 3.38Å; G375-S377 VanDerWaalsContact C-N 3.34Å
378T51.5Low57.9Low123 Ų123136.7 Ų136.776%0.75569%0.694SS**THydrogen-bonded Turntrans-104.1-8.4-175.4610000115G375 K376G375-T378 PolarHBondContact O-OG1 2.92Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 3.48Å
379S53.8Low56.9Low102 Ų102137.1 Ų137.171%0.71370%0.702SS**SBendtrans-122.86.2-173.6-170.50000115.6
380H42.2Very low56Low141 Ų141140.6 Ų140.665%0.65372%0.724SS**  trans-134.957.4178.5-134.259.4000112.1
381C40Very low54.9Low121 Ų121143 Ų14382%0.81874%0.738SS**  trans-74.4130.3155.7-170.90000107.4
382V40.3Very low53.4Low121 Ų121143 Ų14373%0.73374%0.744SS**SBendtrans84.973.4176.6-160.10000116.3
383K42Very low52.4Low172 Ų172138.2 Ų138.275%0.74874%0.735SS**  trans177.799.1138.9-94.8158.6-171.1-175.70107.5
384R34.3Very low51.8Low229 Ų229135.1 Ų135.186%0.86474%0.74SS**  90.397.194.3-164.8-177.9-143.6-152.74.2110.8D386R384-D386 PolarHBondContact O-N 3.37Å
385W35.2Very low51.1Low251 Ų251138.7 Ų138.795%0.95175%0.749SS**SBendtrans-15.698.6156.9-50.779000114.9
386D44.8Very low51.1Low161 Ų161144 Ų14486%0.86177%0.767SS**  trans174.5144.7145.9-110.1-28.4000108.3R384R384-D386 PolarHBondContact O-N 3.37Å
387E46.8Very low51.2Low188 Ų188146.5 Ų146.588%0.87977%0.773SS**  trans89.359.5-174-55.2-159.3167.900117.2
388D56Low51.7Low157 Ų157148.5 Ų148.584%0.8477%0.771SS**  trans-73.6129144.1-83-36.1000108.8
389P64.7Low52.2Low102 Ų102146.7 Ų146.766%0.66276%0.761SS**  trans-61144.7170.825.9-31.9000109.2V391P389-V391 PolarHBondContact O-N 3.45Å
390P64.1Low52.5Low130 Ų130147.7 Ų147.784%0.84476%0.758SS**  trans-58.1111-175.823.4-32.5000109.6Q392P390-Q392 PolarHBondContact O-N 2.83Å
391V58.2Low53.4Low136 Ų136149.5 Ų149.582%0.82477%0.767SS**  trans-65.1102.1169.9173.60000106.1P389 G393P389-V391 PolarHBondContact O-N 3.45Å; V391-G393 PolarHBondContact O-N 2.91Å
392Q48.2Very low54.1Low164 Ų164151.6 Ų151.677%0.76676%0.762SS**  trans-65.893.6169.1-156.8171.26.700106.3P390P390-Q392 PolarHBondContact O-N 2.83Å
393G60.4Low54.7Low40 Ų40152.3 Ų152.341%0.41276%0.761SS.*  trans-54.1158.1170.100000109.7V391 I395V391-G393 PolarHBondContact O-N 2.91Å; G393-I395 PolarHBondContact O-N 3.22Å
394P62.8Low55Low132 Ų132154.3 Ų154.386%0.85777%0.766SS**  trans-53.1110.5179.9-21.931.8000109.3N396P394-N396 PolarHBondContact O-N 3.01Å
395I58Low55.4Low136 Ų136146.7 Ų146.770%0.69776%0.758SS**  trans-56.7128.1170.2-110.4170.6000105.7G393 R397G393-I395 PolarHBondContact O-N 3.22Å; I395-R397 PolarHBondContact O-N 3.23Å
396N63Low55.5Low153 Ų153141 Ų14182%0.81875%0.751SS**  trans-50.3116.5171.9-78-30.5000107.6P394 E398P394-N396 PolarHBondContact O-N 3.01Å; N396-E398 PolarHBondContact O-N 2.85Å; N396-E398 VanDerWaalsContact O-N 3.07Å
397R60.3Low55.1Low216 Ų216143 Ų14382%0.81575%0.753SS**  trans-60.1113.8176.5-146.5179.1-168.9-158.60.9106.8I395I395-R397 PolarHBondContact O-N 3.23Å
398E59.4Low55.2Low144 Ų144142.4 Ų142.467%0.67374%0.742SS**  trans-56.7140.3173.6-72.1-170.2159.600108.7N396 D400N396-E398 PolarHBondContact O-N 2.85Å; N396-E398 VanDerWaalsContact O-N 3.07Å; E398-D400 PolarHBondContact O-N 3.06Å
399P62.5Low54.9Low85 Ų85139.8 Ų139.855%0.55273%0.734SS**  trans-55134.8179.4-20.830.6000110.4E401 K402P399-E401 PolarHBondContact O-N 3.46Å; P399-K402 PolarHBondContact O-N 3.13Å
400D58.6Low54.1Low123 Ų123141.1 Ų141.166%0.65874%0.736SS**G310 helixtrans-59.5-8.2-176.9-61.3-38.9000113.2E398 K402E398-D400 PolarHBondContact O-N 3.06Å; D400-K402 VanDerWaalsContact C-N 3.3Å; D400-K402 PolarHBondContact O-N 3Å
401E61.2Low53.8Low179 Ų179141.6 Ų141.684%0.83673%0.73SS**G310 helixtrans-70.2-11.7179.1-68.8177.316900115.1P399P399-E401 PolarHBondContact O-N 3.46Å
402K55.7Low54.3Low164 Ų164136.3 Ų136.371%0.71370%0.704SS**G310 helixtrans-96.51.8-176.5-75.1-170.8177.8-179.20116.4P399 D400P399-K402 PolarHBondContact O-N 3.13Å; D400-K402 VanDerWaalsContact C-N 3.3Å; D400-K402 PolarHBondContact O-N 3Å
403L52.2Low55.1Low137 Ų137128.6 Ų128.672%0.71767%0.668SS**SBendtrans-105.9-1.9-173.3-70.2176.7000116
404Y47.9Very low55.5Low214 Ų214132.4 Ų132.484%0.83967%0.673SS**  trans-137.683.9176-65-79.2000111.6T406Y404-T406 PolarHBondContact O-N 3.02Å
405G42.7Very low56Low69 Ų69131.7 Ų131.771%0.71166%0.656SS**  trans-67.8117.2160.400000109.8F407G405-F407 PolarHBondContact O-N 2.89Å
406T37.2Very low56.6Low131 Ų131128.9 Ų128.980%0.80464%0.639SS**  trans-25.498.3167.1-48.40000114.4Y404Y404-T406 PolarHBondContact O-N 3.02Å
407F36.8Very low57Low202 Ų202121.8 Ų121.889%0.88660%0.601SS**  trans-131.185.4156-87.8-84.3000107.8G405G405-F407 PolarHBondContact O-N 2.89Å
408R49.4Very low57.6Low176 Ų176116.2 Ų116.266%0.66458%0.584SS**  trans-80.9121.6162-73.2-156.8-173.4-152.67.5107.6N410R408-N410 PolarHBondContact O-N 3.13Å
409P49.3Very low58.3Low103 Ų103114 Ų11467%0.66958%0.577SS**  trans-65.3136.4166.828.5-29.7000107.9L411P409-L411 HydrophobicContact CG-CD1 4.45Å; P409-L411 PolarHBondContact O-N 3.23Å
410N47.4Very low58.8Low130 Ų130112.3 Ų112.370%0.69556%0.563SS**  trans-57.784.4-173.9-64.8-51.4000113.6R408 K415R408-N410 PolarHBondContact O-N 3.13Å; N410-K415 WeakPolarHBondContact O-CD 3.36Å
411L59.6Low59.2Low139 Ų139109.9 Ų109.973%0.72855%0.546SS*.  trans-104.797.1156.3-69.5105000106.4P409P409-L411 HydrophobicContact CG-CD1 4.45Å; P409-L411 PolarHBondContact O-N 3.23Å
412G66.8Low59.7Low26 Ų26105 Ų10527%0.26853%0.532SS..  trans-130.8152.5176.300000109.8K414 K415 F416G412-K414 PolarHBondContact O-N 3.46Å; G412-K415 PolarHBondContact O-N 3.38Å; G412-F416 PolarHBondContact O-N 2.87Å
413V66.1Low60.3Low1 Ų1104.4 Ų104.41%0.00653%0.529CS..Hα-helixtrans-49.2-32.6178.8173.30000112.3Y56 L89 K415 F416 F417Y56-V413 HydrophobicContact CE1-CG2 4.25Å; L89-V413 HydrophobicContact CB-CG1 4.19Å; L89-V413 HydrophobicContact CD1-CG1 4.32Å; V413-K415 PolarHBondContact O-N 3.2Å; V413-F416 WeakPolarHBondContact O-CB 3.17Å; V413-F416 PolarHBondContact O-N 3.22Å; V413-F416 VanDerWaalsContact O-N 3.12Å; V413-F417 HydrophobicContact CG1-CD2 3.58Å; V413-F417 HydrophobicContact CG1-CE2 3.54Å; V413-F417 WeakPolarHBondContact O-CD2 2.98Å; V413-F417 PolarHBondContact O-N 2.96Å
414K67.6Low60.4Low120 Ų120101.1 Ų101.152%0.52251%0.513SS..Hα-helixtrans-54.2-44.7172.1-173.9175178.1177.50113.8G412 F416 F417 E418G412-K414 PolarHBondContact O-N 3.46Å; K414-F416 VanDerWaalsContact C-N 3.33Å; K414-F417 PolarHBondContact O-N 3.05Å; K414-E418 VanDerWaalsContact CE-OE1 3.3Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CB 3.17Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.05Å
415K73.3Confident60.7Low117 Ų11796 Ų9651%0.50951%0.508SS..Hα-helixtrans-69.9-31.3177.7-74.4-157.1178.5-1770112.6N410 G412 V413 N419N410-K415 WeakPolarHBondContact O-CD 3.36Å; G412-K415 PolarHBondContact O-N 3.38Å; V413-K415 PolarHBondContact O-N 3.2Å; K415-N419 VanDerWaalsContact O-CB 3.24Å; K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 PolarHBondContact O-N 3.31Å
416F71.8Confident60.8Low77 Ų77103.7 Ų103.734%0.33853%0.525SS..Hα-helixtrans-63.8-49173.9172.6-99.2000110.7G412 V413 K414 N419 I420G412-F416 PolarHBondContact O-N 2.87Å; V413-F416 WeakPolarHBondContact O-CB 3.17Å; V413-F416 PolarHBondContact O-N 3.22Å; V413-F416 VanDerWaalsContact O-N 3.12Å; K414-F416 VanDerWaalsContact C-N 3.33Å; F416-N419 PolarHBondContact O-N 2.98Å; F416-I420 HydrophobicContact CD1-CD1 3.82Å; F416-I420 HydrophobicContact CD2-CD1 4.46Å; F416-I420 HydrophobicContact CE1-CD1 3.28Å; F416-I420 HydrophobicContact CE2-CD1 3.99Å; F416-I420 HydrophobicContact CG-CD1 4.39Å; F416-I420 HydrophobicContact CZ-CD1 3.4Å; F416-I420 WeakPolarHBondContact O-CG1 3.35Å; F416-I420 PolarHBondContact O-N 3.18Å
417F70.1Confident62Low5 Ų5102.4 Ų102.42%0.02251%0.512CS..Hα-helixtrans-66.3-41.9175.5-81.3-74.4000112.2I86 L89 V413 K414 N419 I420 F421I86-F417 HydrophobicContact CD1-CB 4.01Å; I86-F417 HydrophobicContact CD1-CD2 4.08Å; I86-F417 HydrophobicContact CD1-CG 3.97Å; I86-F417 HydrophobicContact CG1-CD2 3.79Å; I86-F417 HydrophobicContact CG1-CE2 4.11Å; I86-F417 HydrophobicContact CG1-CG 4.17Å; L89-F417 HydrophobicContact CD1-CE2 4.08Å; L89-F417 HydrophobicContact CD1-CZ 4.42Å; V413-F417 HydrophobicContact CG1-CD2 3.58Å; V413-F417 HydrophobicContact CG1-CE2 3.54Å; V413-F417 WeakPolarHBondContact O-CD2 2.98Å; V413-F417 PolarHBondContact O-N 2.96Å; K414-F417 PolarHBondContact O-N 3.05Å; F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 3.23Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.12Å; F417-F421 HydrophobicContact CB-CD2 4.34Å; F417-F421 HydrophobicContact CB-CE2 3.95Å; F417-F421 HydrophobicContact CD1-CE2 4.03Å; F417-F421 HydrophobicContact CD1-CZ 4.43Å; F417-F421 HydrophobicContact CG-CE2 4.45Å; F417-F421 WeakPolarHBondContact O-CD2 3.45Å; F417-F421 PolarHBondContact O-N 3.31Å
418E74.5Confident63.3Low98 Ų9897.1 Ų97.146%0.45849%0.492SS..Hα-helixtrans-56.8-39.3173.2-79.5177.817700112.2K414 F421 S422K414-E418 VanDerWaalsContact CE-OE1 3.3Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CB 3.17Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.05Å; E418-F421 PolarHBondContact O-N 3.32Å; E418-S422 WeakPolarHBondContact O-CB 3.37Å; E418-S422 PolarHBondContact O-N 3.34Å; E418-S422 PolarHBondContact O-OG 3.46Å
419N74.5Confident64.1Low98 Ų9892.7 Ų92.752%0.52448%0.482SS..Hα-helixtrans-72.1-34.5177.5-160.614.8000112.3K415 F416 F417 K423K415-N419 VanDerWaalsContact O-CB 3.24Å; K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 PolarHBondContact O-N 3.31Å; F416-N419 PolarHBondContact O-N 2.98Å; F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 3.23Å; N419-K423 WeakPolarHBondContact O-CG 3.16Å; N419-K423 PolarHBondContact O-N 2.93Å
420I72.6Confident65Low49 Ų4992.1 Ų92.125%0.25147%0.471SS..Hα-helixtrans-67-43.6171.9-71.9172.6000110.7F416 F417 S422 K423 L424F416-I420 HydrophobicContact CD1-CD1 3.82Å; F416-I420 HydrophobicContact CD2-CD1 4.46Å; F416-I420 HydrophobicContact CE1-CD1 3.28Å; F416-I420 HydrophobicContact CE2-CD1 3.99Å; F416-I420 HydrophobicContact CG-CD1 4.39Å; F416-I420 HydrophobicContact CZ-CD1 3.4Å; F416-I420 WeakPolarHBondContact O-CG1 3.35Å; F416-I420 PolarHBondContact O-N 3.18Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.12Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.27Å; I420-K423 WeakPolarHBondContact O-CB 3.32Å; I420-K423 PolarHBondContact O-N 3.21Å; I420-L424 HydrophobicContact CG2-CD1 3.76Å; I420-L424 PolarHBondContact O-N 3.1Å
421F65.7Low66.1Low72 Ų7289.8 Ų89.832%0.31646%0.457SS..Hα-helixtrans-64.2-38176.5-73.9-59.1000112.5I70 M82 F417 E418 K423 L424 S425I70-F421 HydrophobicContact CD1-CE1 4.49Å; M82-F421 HydrophobicContact CE-CE1 3.88Å; M82-F421 HydrophobicContact CE-CE2 4.22Å; M82-F421 HydrophobicContact CE-CZ 3.28Å; M82-F421 HydrophobicContact SD-CE1 3.84Å; M82-F421 HydrophobicContact SD-CE2 3.35Å; M82-F421 WeakPolarHBondContact SD-CE2 3.43Å; M82-F421 HydrophobicContact SD-CZ 2.98Å; M82-F421 WeakPolarHBondContact SD-CZ 3.37Å; F417-F421 HydrophobicContact CB-CD2 4.34Å; F417-F421 HydrophobicContact CB-CE2 3.95Å; F417-F421 HydrophobicContact CD1-CE2 4.03Å; F417-F421 HydrophobicContact CD1-CZ 4.43Å; F417-F421 HydrophobicContact CG-CE2 4.45Å; F417-F421 WeakPolarHBondContact O-CD2 3.45Å; F417-F421 PolarHBondContact O-N 3.31Å; E418-F421 PolarHBondContact O-N 3.32Å; F421-K423 PolarHBondContact O-N 3.19Å; F421-L424 PolarHBondContact O-N 2.91Å; F421-S425 WeakPolarHBondContact O-CB 3.45Å; F421-S425 PolarHBondContact O-N 2.92Å; F421-S425 VanDerWaalsContact O-N 3.12Å
422S72.7Confident66.5Low76 Ų7686.5 Ų86.553%0.53144%0.439SS..Hα-helixtrans-62.2-25.5175.1-58.80000112.4E418 I420E418-S422 WeakPolarHBondContact O-CB 3.37Å; E418-S422 PolarHBondContact O-N 3.34Å; E418-S422 PolarHBondContact O-OG 3.46Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.27Å
423K67.4Low66.5Low152 Ų15290.8 Ų90.866%0.66145%0.452SS*.Hα-helixtrans-88.1-25.4176.3-72.3-179.6178.7-1750114.3N419 I420 F421N419-K423 WeakPolarHBondContact O-CG 3.16Å; N419-K423 PolarHBondContact O-N 2.93Å; I420-K423 WeakPolarHBondContact O-CB 3.32Å; I420-K423 PolarHBondContact O-N 3.21Å; F421-K423 PolarHBondContact O-N 3.19Å
424L55.4Low66.5Low69 Ų6997.7 Ų97.736%0.36149%0.486SS..Hα-helixtrans-90.7-9.4179.3-71.9167.7000113.5I420 F421I420-L424 HydrophobicContact CG2-CD1 3.76Å; I420-L424 PolarHBondContact O-N 3.1Å; F421-L424 PolarHBondContact O-N 2.91Å
425S54.6Low66.4Low107 Ų10795.8 Ų95.875%0.74848%0.483SS*.  trans-98.23.9178.2139.70000114.2F421F421-S425 WeakPolarHBondContact O-CB 3.45Å; F421-S425 PolarHBondContact O-N 2.92Å; F421-S425 VanDerWaalsContact O-N 3.12Å
426Q44.5Very low65.8Low230 Ų23093.9 Ų93.9100%1.07548%0.48SS*.  trans-99.80162.6-75.9-176.38.100109.1

Retrieved 426 of 426 residues in 634.6 ms (Link to these results)