A0A077Z2U8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2U8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low44.8Very low245 Ų245146.6 Ų146.6100%1.20782%0.824SS**  01150-76.6-76.9-101.400106.8
2G40.3Very low44.6Very low75 Ų75145.8 Ų145.877%0.77383%0.825SS**  trans75.9143.3171.100000116
3E46.3Very low44.8Very low190 Ų190139.2 Ų139.289%0.88879%0.794SS**  cis-170.4174.1-4.6-115.3-156.7173.200106.1
4P51.9Low45.3Very low100 Ų100140.4 Ų140.465%0.64979%0.789SS**  trans-126-178-137.730.6-6.7000114.8
5V44.9Very low45.7Very low121 Ų121140.4 Ų140.473%0.73378%0.781SS**  trans65.1133.3148177.10000117.4
6V52.3Low46.2Very low125 Ų125138.8 Ų138.876%0.75877%0.77SS**  -177.2109.499.2163.60000105.5
7K42.7Very low46.8Very low180 Ų180138.4 Ų138.478%0.78376%0.761SS**  44.7116.199.9-69.9-171.8178.4-175.80116
8D43.4Very low47.3Very low163 Ų163138.2 Ų138.287%0.87275%0.754SS**  -170.4152.9117.2-90.3-18.4000112.1
9E45.6Very low47.9Very low184 Ų184137.1 Ų137.186%0.8675%0.747SS**PPolyproline II helixtrans-73.3171.7-163.8-88.4-174.6168.900116.4
10P40Very low48.5Very low123 Ų123135.7 Ų135.780%0.79974%0.739SS**PPolyproline II helixtrans-90.1125.1-153.634.4-30.3000113.2
11S43.3Very low49Very low107 Ų107134.5 Ų134.575%0.74873%0.731SS**PPolyproline II helixtrans-88.5118161.450.70000109.4S13S11-S13 PolarHBondContact O-N 2.86Å
12T42.4Very low49.9Very low136 Ų136125.3 Ų125.383%0.83469%0.694SS**  trans-47107.316339.10000108.7
13S46.9Very low50.8Low60 Ų60125.7 Ų125.742%0.4268%0.681SS.*  trans-76144.9-176.4500000109.9S11 E15 D16S11-S13 PolarHBondContact O-N 2.86Å; S13-E15 PolarHBondContact O-N 3.01Å; S13-D16 PolarHBondContact O-N 2.82Å
14Q52.6Low51.4Low156 Ų156126.2 Ų126.273%0.72968%0.675SS**THydrogen-bonded Turntrans-47.5-12.6173.9-94.7171.9-75.300115.4E17 E18Q14-E17 PolarHBondContact O-N 2.9Å; Q14-E18 PolarHBondContact O-N 3.45Å
15E51.3Low51.6Low141 Ų141124.4 Ų124.466%0.65967%0.665SS**Hα-helixtrans-69.7-30.7-176.6-63.1178.9157.800112.6S13 E17S13-E15 PolarHBondContact O-N 3.01Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.37Å
16D53.6Low52.3Low114 Ų114126.7 Ų126.761%0.6167%0.665SS**Hα-helixtrans-73-19.1174.7-76.5-27.6000113S13S13-D16 PolarHBondContact O-N 2.82Å
17E55.3Low52.4Low133 Ų133130.1 Ų130.162%0.62166%0.664SS**Hα-helixtrans-86.3-33.3-178.8-150.9155.8-15700111.4Q14 E15 N20 I21Q14-E17 PolarHBondContact O-N 2.9Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.37Å; E17-N20 PolarHBondContact O-N 2.94Å; E17-I21 WeakPolarHBondContact O-CG1 3.37Å; E17-I21 PolarHBondContact O-N 2.83Å; E17-I21 VanDerWaalsContact O-N 3.16Å
18E56.6Low52.8Low134 Ų134127.3 Ų127.363%0.62666%0.657SS**Hα-helixtrans-65.9-39.6174.2-71.9-172162.700112.5Q14 N20 I21 A22Q14-E18 PolarHBondContact O-N 3.45Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; E18-I21 PolarHBondContact O-N 2.98Å; E18-A22 PolarHBondContact O-N 3.4Å
19D57.9Low53.4Low117 Ų117126.9 Ų126.963%0.62665%0.647SS**Hα-helixtrans-64.3-34.8176.2-99.1-6.3000112A22 V23D19-A22 PolarHBondContact O-N 3.22Å; D19-V23 WeakPolarHBondContact O-CG2 3.33Å; D19-V23 PolarHBondContact O-N 2.71Å; D19-V23 VanDerWaalsContact O-N 3.15Å
20N60.5Low53.6Low109 Ų109126.9 Ų126.958%0.58364%0.639SS**Hα-helixtrans-68.9-36.3174.9-105.2-52000113E17 E18 R24E17-N20 PolarHBondContact O-N 2.94Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; N20-R24 PolarHBondContact O-N 2.91Å; N20-R24 VanDerWaalsContact O-N 3.15Å
21I59.3Low53.9Low112 Ų112124.2 Ų124.257%0.57463%0.628SS**Hα-helixtrans-67.9-41.9176.1-66.2165.4000110.1E17 E18 V23 R24 S25E17-I21 WeakPolarHBondContact O-CG1 3.37Å; E17-I21 PolarHBondContact O-N 2.83Å; E17-I21 VanDerWaalsContact O-N 3.16Å; E18-I21 PolarHBondContact O-N 2.98Å; I21-V23 PolarHBondContact O-N 3.41Å; I21-R24 PolarHBondContact O-N 3.05Å; I21-S25 WeakPolarHBondContact O-CB 3.35Å; I21-S25 PolarHBondContact O-N 2.86Å
22A60.4Low54.2Low51 Ų51123.9 Ų123.942%0.42162%0.621SS.*Hα-helixtrans-62.2-41.9178.100000112.5E18 D19 S25 K26E18-A22 PolarHBondContact O-N 3.4Å; D19-A22 PolarHBondContact O-N 3.22Å; A22-S25 PolarHBondContact O-N 3.31Å; A22-K26 PolarHBondContact O-N 3.01Å
23V60.6Low54.5Low84 Ų84121.4 Ų121.451%0.50962%0.615SS.*Hα-helixtrans-66.2-41.5177.1173.70000111.7D19 I21 K26 R27D19-V23 WeakPolarHBondContact O-CG2 3.33Å; D19-V23 PolarHBondContact O-N 2.71Å; D19-V23 VanDerWaalsContact O-N 3.15Å; I21-V23 PolarHBondContact O-N 3.41Å; V23-K26 PolarHBondContact O-N 3.26Å; V23-R27 PolarHBondContact O-N 2.93Å; V23-R27 VanDerWaalsContact O-N 3.09Å
24R58Low54.4Low201 Ų201127.4 Ų127.476%0.75863%0.628SS**Hα-helixtrans-62.6-42.4174.6-86.2-176.8173.7174.60.1112.1N20 I21 K26 R27 L28N20-R24 PolarHBondContact O-N 2.91Å; N20-R24 VanDerWaalsContact O-N 3.15Å; I21-R24 PolarHBondContact O-N 3.05Å; R24-K26 PolarHBondContact O-N 3.39Å; R24-R27 PolarHBondContact O-N 3.42Å; R24-L28 PolarHBondContact O-N 2.86Å
25S56.9Low54Low62 Ų62126.8 Ų126.843%0.43463%0.629SS.*Hα-helixtrans-65.1-39179.7-1550000112.2I21 A22 L28 K29I21-S25 WeakPolarHBondContact O-CB 3.35Å; I21-S25 PolarHBondContact O-N 2.86Å; A22-S25 PolarHBondContact O-N 3.31Å; S25-L28 PolarHBondContact O-N 3.47Å; S25-K29 PolarHBondContact O-N 3.09Å
26K57.8Low53.8Low169 Ų169126.6 Ų126.674%0.73563%0.633SS**Hα-helixtrans-65.4-38.5172.4-85.9-179.6177.8171.20113.2A22 V23 R24 R30A22-K26 PolarHBondContact O-N 3.01Å; V23-K26 PolarHBondContact O-N 3.26Å; R24-K26 PolarHBondContact O-N 3.39Å; K26-R30 PolarHBondContact O-N 3.03Å
27R56Low53.5Low196 Ų196130.3 Ų130.374%0.7464%0.64SS**Hα-helixtrans-66.6-40.1176.5-86.2-175.8167.1-176-2.3112.2V23 R24 R30 A31V23-R27 PolarHBondContact O-N 2.93Å; V23-R27 VanDerWaalsContact O-N 3.09Å; R24-R27 PolarHBondContact O-N 3.42Å; R27-R30 PolarHBondContact O-N 2.79Å; R27-A31 PolarHBondContact O-N 2.95Å
28L51.1Low53Low122 Ų122134.1 Ų134.164%0.63965%0.648SS**Hα-helixtrans-64.6-43.5179.4-166.468.6000111.8R24 S25 R30 A31 T32R24-L28 PolarHBondContact O-N 2.86Å; S25-L28 PolarHBondContact O-N 3.47Å; L28-R30 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 3.13Å; L28-A31 VanDerWaalsContact O-N 3.13Å; L28-T32 PolarHBondContact O-N 2.83Å; L28-T32 PolarHBondContact O-OG1 2.78Å
29K55.7Low52.8Low154 Ų154130.8 Ų130.867%0.6764%0.644SS**Hα-helixtrans-62.3-29.1175.7-73-176.2179-177.50113.5S25 T32S25-K29 PolarHBondContact O-N 3.09Å; K29-T32 PolarHBondContact O-OG1 3.42Å
30R50.1Low52.3Low183 Ų183131.6 Ų131.669%0.69165%0.647SS**Hα-helixtrans-80.8-19.1178-152174.5-172.4175.72.3113.1K26 R27 L28K26-R30 PolarHBondContact O-N 3.03Å; R27-R30 PolarHBondContact O-N 2.79Å; L28-R30 PolarHBondContact O-N 3.24Å
31A46.6Very low51.9Low68 Ų68133.9 Ų133.956%0.56265%0.654SS**Hα-helixtrans-83.3-37.317700000112.2R27 L28R27-A31 PolarHBondContact O-N 2.95Å; L28-A31 PolarHBondContact O-N 3.13Å; L28-A31 VanDerWaalsContact O-N 3.13Å
32T49.2Very low51.4Low99 Ų99132 Ų13261%0.60766%0.656SS**Hα-helixtrans-74-28.5177.847.20000113.4L28 K29 R34L28-T32 PolarHBondContact O-N 2.83Å; L28-T32 PolarHBondContact O-OG1 2.78Å; K29-T32 PolarHBondContact O-OG1 3.42Å; T32-R34 PolarHBondContact O-N 2.94Å
33A47.4Very low50.7Low85 Ų85138.5 Ų138.570%0.70268%0.675SS**THydrogen-bonded Turntrans-74.7217800000114.9
34R45Very low50Low185 Ų185139.5 Ų139.570%0.69869%0.686SS**THydrogen-bonded Turntrans-110.610.3-172.5-85.7-177.9155.7168.7-7115.5T32 N36T32-R34 PolarHBondContact O-N 2.94Å; R34-N36 PolarHBondContact O-N 3.4Å
35L45.7Very low49.1Very low143 Ų143135.9 Ų135.975%0.74969%0.686SS**  trans-71.295.8170.5-75.1165000109.3Y37L35-Y37 WeakPolarHBondContact O-CD2 3.4Å; L35-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact O-N 3.14Å
36N46Very low48.4Very low137 Ų137138.7 Ų138.773%0.73371%0.706SS**  trans-61.7101.8174.8-104.8-31.1000110.3R34 R38 A39R34-N36 PolarHBondContact O-N 3.4Å; N36-R38 PolarHBondContact O-N 3.29Å; N36-R38 VanDerWaalsContact O-N 3.09Å; N36-A39 PolarHBondContact O-N 2.99Å
37Y47.5Very low47.8Very low193 Ų193139.4 Ų139.476%0.75771%0.711SS**G310 helixtrans-58-17.9173.3-74.1-87.4000113.9L35 A39 L40L35-Y37 WeakPolarHBondContact O-CD2 3.4Å; L35-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-A39 PolarHBondContact O-N 3.29Å; Y37-A39 VanDerWaalsContact O-N 3.13Å; Y37-L40 PolarHBondContact O-N 2.98Å
38R44.9Very low47.3Very low213 Ų213139 Ų13980%0.80472%0.718SS**G310 helixtrans-66.3-12.3-179.5-153.9175.7-172.8175.52.6115N36N36-R38 PolarHBondContact O-N 3.29Å; N36-R38 VanDerWaalsContact O-N 3.09Å
39A53.5Low47.3Very low64 Ų64139 Ų13953%0.52973%0.728SS.*G310 helixtrans-89.8-13.4178.100000113.8N36 Y37N36-A39 PolarHBondContact O-N 2.99Å; Y37-A39 PolarHBondContact O-N 3.29Å; Y37-A39 VanDerWaalsContact O-N 3.13Å
40L45.8Very low46.8Very low133 Ų133141 Ų14170%0.69674%0.74SS**THydrogen-bonded Turntrans-89.9-20.1-178.9-71.2169.3000113.1Y37 A42Y37-L40 PolarHBondContact O-N 2.98Å; L40-A42 VanDerWaalsContact C-N 3.34Å
41E52.2Low46.7Very low157 Ų157139.9 Ų139.973%0.73475%0.747SS**G310 helixtrans-81.3-11.4177-69.3175.8178.100113.5
42A49.1Very low46.6Very low73 Ų73143.2 Ų143.260%0.60376%0.756SS**G310 helixtrans-87.1-1-174.100000115L40L40-A42 VanDerWaalsContact C-N 3.34Å
43F45.9Very low46.5Very low188 Ų188143.8 Ų143.883%0.82576%0.764SS**G310 helixtrans-105.53.1-177-81.6-81.2000114.7
44S46.8Very low46.5Very low105 Ų105149.6 Ų149.673%0.73477%0.769SS**SBendtrans-107.311.1-174.2-60.20000115
45T37.7Very low46.8Very low125 Ų125149.8 Ų149.877%0.76778%0.778SS**  trans-134.792.4177.7510000110.9
46S41.9Very low47.4Very low121 Ų121147.9 Ų147.985%0.84677%0.774SS**  trans-139.298.3160-168.20000107.5
47E45.1Very low47.4Very low183 Ų183148.4 Ų148.486%0.85578%0.777SS**  trans-61.5133.8171-60168125.100110.2
48E46.1Very low47.5Very low189 Ų189144.6 Ų144.688%0.88377%0.774SS**  trans-151.396.6144.4-75.8-150.2141.400109.9
49S50.8Low47.4Very low120 Ų120141.8 Ų141.884%0.83978%0.775SS**  trans25.3137.7146.958.60000123.9
50E45.6Very low47.3Very low196 Ų196143.7 Ų143.792%0.91679%0.791SS**  trans-65.5151.2175.2-57.3160.4157.400115
51D47.6Very low47.3Very low160 Ų160148.1 Ų148.186%0.85680%0.798SS**  trans-152.6152.8143.8-160.110.5000110.8
52D45.5Very low47.3Very low138 Ų138146.5 Ų146.574%0.73880%0.804SS**  trans-84.3156.8-138-99.3-45.3000118.3
53S47.7Very low46.9Very low111 Ų111150.3 Ų150.378%0.77682%0.815SS**  trans74.4100.6138.969.70000120.6
54Y45.9Very low47.1Very low207 Ų207147.5 Ų147.581%0.81282%0.818SS**  trans-145.5106.2148.8-165.9-96.3000110.8P56Y54-P56 HydrophobicContact CD1-CG 4.36Å; Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 HydrophobicContact CE1-CG 4.05Å
55E51Low47.2Very low190 Ų190147.4 Ų147.489%0.88882%0.818SS**PPolyproline II helixtrans-102.6124.4163.5-74.6-163.3160.600109.5
56P59.1Low47.7Very low103 Ų103146 Ų14667%0.66981%0.813SS**PPolyproline II helixtrans-95119161.230.7-22.7000110.5Y54Y54-P56 HydrophobicContact CD1-CG 4.36Å; Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 HydrophobicContact CE1-CG 4.05Å
57D46.1Very low48.1Very low147 Ų147147.6 Ų147.679%0.78681%0.812SS**PPolyproline II helixtrans-70.7164.1177.8-149.2-6.7000112.7
58T49.6Very low48.3Very low114 Ų114146 Ų14670%0.69981%0.809SS**  trans96.996.8159.573.40000120.6
59D42Very low48.3Very low154 Ų154144.8 Ų144.882%0.82480%0.804SS**  34.4107.2113.2-78-32.1000118.7
60A51.5Low48.3Very low104 Ų104145.4 Ų145.486%0.8681%0.806SS**  trans-155.695.6136.400000110.8
61R45.8Very low48.1Very low225 Ų225142.5 Ų142.585%0.84980%0.801SS**  trans-41.9138.3161.7-66.7170.2165.8178.5-6.1111.9
62S52.5Low48.4Very low123 Ų123140.4 Ų140.486%0.8680%0.8SS**  trans-157.3103.6137-790000109.2
63D41.4Very low48.1Very low154 Ų154140.9 Ų140.982%0.82480%0.802SS**  trans-54.1135.4164.1-67-51.1000110.5
64S48.7Very low48Very low128 Ų128143.4 Ų143.490%0.89581%0.807SS**  trans-151.4118.7144.8-83.80000109.4
65S48.7Very low47.5Very low104 Ų104136.9 Ų136.973%0.72780%0.803SS**  trans-79.2146-166.360.20000114.1
66S49.6Very low47Very low96 Ų96135.1 Ų135.167%0.67180%0.8SS**  trans34123.6133.874.80000118.5
67N49.2Very low46.1Very low153 Ų153136.1 Ų136.182%0.81881%0.809SS**  171157.377.5-117.32.8000110.4
68D49.9Very low45.7Very low149 Ų149136.9 Ų136.980%0.79781%0.808SS**  trans100.1129.7142.9-121.3-14.2000119.9
69E45.7Very low45.2Very low165 Ų165141.3 Ų141.377%0.77182%0.817SS**  trans-75.4150.7-171.4-52.4-165142.100111.4
70C51.1Low45.1Very low133 Ų133138.1 Ų138.190%0.89981%0.812SS**  trans-161.3108.7144.5-99.20000109.6
71V42.3Very low44.6Very low134 Ų134139.3 Ų139.381%0.81281%0.814SS**  trans-75.1128164.8-1510000107.5
72S52.4Low44.2Very low117 Ų117132.5 Ų132.582%0.81881%0.806SS**  trans-156.6109156.1-68.50000109.4
73D40.5Very low43.7Very low148 Ų148133.7 Ų133.779%0.79180%0.803SS**  trans-62.1127.5160.9-176.728.4000109
74D45.2Very low43.7Very low163 Ų163138 Ų13887%0.87281%0.807SS**  trans-167.4125.9154.8-96.7-36.1000110
75G35.1Very low43.8Very low71 Ų71134.9 Ų134.973%0.73279%0.786SS**  trans-66.9143.5-17100000114.8
76D40.9Very low44.1Very low153 Ų153135.8 Ų135.882%0.81878%0.782SS**  trans-148.379.4154.4-146-2.2000109.6Q78D76-Q78 PolarHBondContact O-N 3.48Å
77S40.6Very low44.6Very low123 Ų123133.6 Ų133.686%0.8678%0.775SS**  trans-77.769172-68.80000110
78Q37.1Very low45.2Very low164 Ų164128.9 Ų128.977%0.76675%0.75SS**  trans-172.984164.4-111.4172.86.600112.1D76D76-Q78 PolarHBondContact O-N 3.48Å
79K38.9Very low46Very low207 Ų207123.2 Ų123.290%0.973%0.726SS**  trans-179.7152.7148-101.4151.7-172.2175.30111.1
80A39.9Very low47Very low86 Ų86119.3 Ų119.371%0.71171%0.711SS**  trans86.542.3167.100000118A82A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.08Å
81S40.2Very low47.9Very low129 Ų129117.2 Ų117.290%0.90269%0.69SS**THydrogen-bonded Turntrans-66.885.8138.165.70000108.7
82A38.6Very low49.3Very low83 Ų83113.4 Ų113.469%0.68667%0.665SS**THydrogen-bonded Turntrans-162.9-26.5168.900000115.3A80A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.08Å
83N41.8Very low50.3Low147 Ų147112.3 Ų112.379%0.78665%0.649SS**  trans-129.131.3-166-72.62.8000114.4S85N83-S85 PolarHBondContact O-N 2.94Å
84R41Very low51.9Low244 Ų244111.7 Ų111.792%0.92164%0.642SS**  trans-74.986.5161.1-68-172.1178.4-159.3-2.5105.9D86R84-D86 VanDerWaalsContact C-N 3.25Å; R84-D86 PolarHBondContact O-N 3.3Å
85S51.8Low53.1Low63 Ų63109.8 Ų109.844%0.44162%0.623SS.*  trans-56.9109.5153.158.40000104.7N83 G87 D90N83-S85 PolarHBondContact O-N 2.94Å; S85-G87 PolarHBondContact O-N 3.08Å; S85-D90 VanDerWaalsContact CB-CG 3.49Å; S85-D90 WeakPolarHBondContact CB-OD1 3.49Å; S85-D90 WeakPolarHBondContact CB-OD2 3.49Å; S85-D90 PolarHBondContact OG-OD2 2.92Å
86D53.4Low54.8Low123 Ų123111.2 Ų111.266%0.65861%0.611SS**  trans-49.794158.738.8-28.5000104.7R84 L88 G89R84-D86 VanDerWaalsContact C-N 3.25Å; R84-D86 PolarHBondContact O-N 3.3Å; D86-L88 CarbonylContact O-C 3.48Å; D86-L88 PolarHBondContact O-N 2.86Å; D86-G89 WeakPolarHBondContact O-CA 3.43Å; D86-G89 PolarHBondContact O-N 2.87Å
87G60.2Low56.1Low50 Ų50108 Ų10852%0.51559%0.591SS.*Hα-helixtrans-55.3-9.8-167.300000114.4S85 L91S85-G87 PolarHBondContact O-N 3.08Å; G87-L91 VanDerWaalsContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CB 3.2Å; G87-L91 PolarHBondContact O-N 3.36Å
88L62.7Low57.5Low55 Ų55104.8 Ų104.829%0.28857%0.572SS.*Hα-helixtrans-73.9-36.7169.8-150.7146.1000113.2D86 L92 I143 N147D86-L88 CarbonylContact O-C 3.48Å; D86-L88 PolarHBondContact O-N 2.86Å; L88-L92 HydrophobicContact CD2-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.39Å; L88-I143 HydrophobicContact CD2-CG2 3.72Å; L88-N147 VanDerWaalsContact CD2-ND2 3.3Å; L88-N147 WeakPolarHBondContact CD2-ND2 3.47Å; L88-N147 WeakPolarHBondContact CD2-OD1 3.48Å
89G65.6Low58.7Low29 Ų29100.3 Ų100.330%0.29955%0.548SS..Hα-helixtrans-65-41.9168.300000112.5D86 L92 L93D86-G89 WeakPolarHBondContact O-CA 3.43Å; D86-G89 PolarHBondContact O-N 2.87Å; G89-L92 PolarHBondContact O-N 3.39Å; G89-L93 WeakPolarHBondContact O-CB 3.21Å; G89-L93 PolarHBondContact O-N 3.38Å
90D68.3Low60Low84 Ų8495.1 Ų95.145%0.44953%0.526SS..Hα-helixtrans-63.6-44.3173.4-71.5-11.9000111S85 L92 L93 E94S85-D90 VanDerWaalsContact CB-CG 3.49Å; S85-D90 WeakPolarHBondContact CB-OD1 3.49Å; S85-D90 WeakPolarHBondContact CB-OD2 3.49Å; S85-D90 PolarHBondContact OG-OD2 2.92Å; D90-L92 PolarHBondContact O-N 2.97Å; D90-L93 WeakPolarHBondContact O-CB 3.25Å; D90-L93 PolarHBondContact O-N 3.4Å; D90-E94 PolarHBondContact O-N 3.1Å
91L68.7Low61.3Low88 Ų8894.4 Ų94.446%0.46151%0.512SS..Hα-helixtrans-64-39.2176.8-164.775.2000112.1G87 L93 E94 Y95G87-L91 VanDerWaalsContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CB 3.2Å; G87-L91 PolarHBondContact O-N 3.36Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-E94 PolarHBondContact O-N 3.06Å; L91-Y95 HydrophobicContact CG-CD2 4.22Å; L91-Y95 HydrophobicContact CG-CE2 4.48Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.08Å
92L72.1Confident62.3Low54 Ų5491 Ų9128%0.28349%0.491SS..Hα-helixtrans-63.5-39.8173.9-86.9166.4000111.6L88 G89 D90 Q96 L140 I143L88-L92 HydrophobicContact CD2-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.39Å; G89-L92 PolarHBondContact O-N 3.39Å; D90-L92 PolarHBondContact O-N 2.97Å; L92-Q96 VanDerWaalsContact O-CB 3.28Å; L92-Q96 WeakPolarHBondContact O-CB 3.16Å; L92-Q96 PolarHBondContact O-N 2.95Å; L92-L140 HydrophobicContact CD2-CD2 3.78Å; L92-I143 HydrophobicContact CD1-CG2 3.99Å; L92-I143 HydrophobicContact CD2-CD1 4.37Å; L92-I143 HydrophobicContact CD2-CG2 3.97Å; L92-I143 HydrophobicContact CG-CG2 4.13Å
93L73.8Confident63.3Low94 Ų9487.9 Ų87.949%0.49246%0.464SS..Hα-helixtrans-66.7-44.9177.2-166.770.7000110.8G89 D90 L91 Y95 Q96 E97G89-L93 WeakPolarHBondContact O-CB 3.21Å; G89-L93 PolarHBondContact O-N 3.38Å; D90-L93 WeakPolarHBondContact O-CB 3.25Å; D90-L93 PolarHBondContact O-N 3.4Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 2.78Å; L93-Q96 PolarHBondContact O-N 2.91Å; L93-E97 WeakPolarHBondContact O-CG 3.47Å; L93-E97 PolarHBondContact O-N 3.37Å
94E73.4Confident64Low136 Ų13684.5 Ų84.564%0.63645%0.451SS*.Hα-helixtrans-60-46.1175.8-172179.7-175.700111.5D90 L91 Q96 E97 A98D90-E94 PolarHBondContact O-N 3.1Å; L91-E94 PolarHBondContact O-N 3.06Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 2.96Å; E94-A98 WeakPolarHBondContact O-CB 3.3Å; E94-A98 PolarHBondContact O-N 3.38Å
95Y70.5Confident64.7Low123 Ų12374.8 Ų74.848%0.48243%0.427SS..Hα-helixtrans-63.3-38.3175.3-101.7-86000112.5L91 L93 A98 Y99 F136L91-Y95 HydrophobicContact CG-CD2 4.22Å; L91-Y95 HydrophobicContact CG-CE2 4.48Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.08Å; L93-Y95 PolarHBondContact O-N 2.78Å; Y95-A98 PolarHBondContact O-N 3.33Å; Y95-Y99 WeakPolarHBondContact O-CB 3.35Å; Y95-Y99 PolarHBondContact O-N 2.92Å; Y95-F136 HydrophobicContact CD1-CE2 4.09Å
96Q71.1Confident64.8Low101 Ų10175.8 Ų75.847%0.47243%0.43SS..Hα-helixtrans-67.6-38.4176.9-167.3-175.223.700111.6L92 L93 E94 K100L92-Q96 VanDerWaalsContact O-CB 3.28Å; L92-Q96 WeakPolarHBondContact O-CB 3.16Å; L92-Q96 PolarHBondContact O-N 2.95Å; L93-Q96 PolarHBondContact O-N 2.91Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.14Å; Q96-K100 WeakPolarHBondContact O-CG 3.43Å; Q96-K100 PolarHBondContact O-N 3.13Å
97E68.6Low64.8Low86 Ų8674.6 Ų74.640%0.40243%0.429SS..Hα-helixtrans-66.3-46.5173.2-73.5-156.5-177.700111.7L93 E94 Y99 K100 V101 S108L93-E97 WeakPolarHBondContact O-CG 3.47Å; L93-E97 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 2.96Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.05Å; E97-K100 VanDerWaalsContact O-N 3.1Å; E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.45Å; E97-S108 PolarHBondContact OE2-OG 2.99Å
98A68.9Low64.5Low55 Ų5575.2 Ų75.246%0.45543%0.425SS..Hα-helixtrans-57.1-40.8175.100000111.6E94 Y95 V101 A102E94-A98 WeakPolarHBondContact O-CB 3.3Å; E94-A98 PolarHBondContact O-N 3.38Å; Y95-A98 PolarHBondContact O-N 3.33Å; A98-V101 PolarHBondContact O-N 2.91Å; A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.48Å
99Y64Low63.7Low69 Ų6978.4 Ų78.427%0.27145%0.453SS..Hα-helixtrans-63.6-44.7174.9-177.8-91.3000112.4Y95 E97 V101 A102 V103 Y133 F136Y95-Y99 WeakPolarHBondContact O-CB 3.35Å; Y95-Y99 PolarHBondContact O-N 2.92Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.49Å; Y99-V101 VanDerWaalsContact C-N 3.3Å; Y99-V101 PolarHBondContact O-N 3.43Å; Y99-A102 PolarHBondContact O-N 2.92Å; Y99-V103 HydrophobicContact CD1-CB 4.48Å; Y99-V103 HydrophobicContact CD1-CG2 4.2Å; Y99-V103 HydrophobicContact CD2-CG2 3.61Å; Y99-V103 HydrophobicContact CE1-CB 4.22Å; Y99-V103 HydrophobicContact CE1-CG1 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.04Å; Y99-V103 HydrophobicContact CE2-CB 4.44Å; Y99-V103 HydrophobicContact CE2-CG2 3.43Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.43Å; Y99-V103 HydrophobicContact CG-CG2 4.01Å; Y99-V103 VanDerWaalsContact O-CB 3.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.36Å; Y99-V103 WeakPolarHBondContact O-CG2 3.43Å; Y99-V103 PolarHBondContact O-N 3.49Å; Y99-Y133 HydrophobicContact CE2-CD1 4.16Å; Y99-Y133 HydrophobicContact CE2-CE1 4.08Å; Y99-Y133 AromaticContact CZ-CE1 3.97Å; Y99-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y99-Y133 WeakPolarHBondContact OH-CE1 3.49Å; Y99-F136 AromaticContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD2 4.37Å; Y99-F136 AromaticContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE2 4.13Å; Y99-F136 HydrophobicContact CD2-CG 4.25Å; Y99-F136 AromaticContact CD2-CZ 3.74Å; Y99-F136 HydrophobicContact CD2-CZ 3.74Å; Y99-F136 AromaticContact CE2-CD1 3.85Å; Y99-F136 HydrophobicContact CE2-CD1 3.85Å; Y99-F136 AromaticContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CG 4.38Å; Y99-F136 HydrophobicContact CE2-CZ 4.5Å; Y99-F136 HydrophobicContact CG-CE1 4.04Å; Y99-F136 HydrophobicContact CG-CZ 4.01Å
100K65.9Low62.8Low99 Ų9982.1 Ų82.143%0.4347%0.474SS..Hα-helixtrans-60.8-40.1176.5-74.5171.1-176.3168.20111.9Q96 E97 C104 G105Q96-K100 WeakPolarHBondContact O-CG 3.43Å; Q96-K100 PolarHBondContact O-N 3.13Å; E97-K100 PolarHBondContact O-N 3.05Å; E97-K100 VanDerWaalsContact O-N 3.1Å; K100-C104 WeakPolarHBondContact O-CA 3.28Å; K100-C104 WeakPolarHBondContact O-CB 3.49Å; K100-C104 PolarHBondContact O-N 3.44Å; K100-C104 VanDerWaalsContact O-N 3.08Å; K100-G105 PolarHBondContact O-N 3.41Å
101V66.8Low61.5Low71 Ų7182.2 Ų82.243%0.4349%0.486SS..Hα-helixtrans-69.3-47.1178.3175.10000111.1E97 A98 Y99 G105E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.45Å; A98-V101 PolarHBondContact O-N 2.91Å; Y99-V101 VanDerWaalsContact C-N 3.3Å; Y99-V101 PolarHBondContact O-N 3.43Å; V101-G105 WeakPolarHBondContact O-CA 3.32Å; V101-G105 PolarHBondContact O-N 3.2Å
102A62.2Low60.1Low56 Ų5684.5 Ų84.546%0.46350%0.499SS..Hα-helixtrans-71.5-43.2-176.100000113A98 Y99A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.48Å; Y99-A102 PolarHBondContact O-N 2.92Å
103V57.9Low58.8Low18 Ų1890.4 Ų90.411%0.10953%0.525CS..Hα-helixtrans-89.8-49-173.4-179.50000112.3Y99 L128 Y133Y99-V103 HydrophobicContact CD1-CB 4.48Å; Y99-V103 HydrophobicContact CD1-CG2 4.2Å; Y99-V103 HydrophobicContact CD2-CG2 3.61Å; Y99-V103 HydrophobicContact CE1-CB 4.22Å; Y99-V103 HydrophobicContact CE1-CG1 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.04Å; Y99-V103 HydrophobicContact CE2-CB 4.44Å; Y99-V103 HydrophobicContact CE2-CG2 3.43Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.43Å; Y99-V103 HydrophobicContact CG-CG2 4.01Å; Y99-V103 VanDerWaalsContact O-CB 3.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.36Å; Y99-V103 WeakPolarHBondContact O-CG2 3.43Å; Y99-V103 PolarHBondContact O-N 3.49Å; V103-L128 HydrophobicContact CB-CD1 4.33Å; V103-L128 HydrophobicContact CG2-CD1 3.51Å; V103-Y133 HydrophobicContact CG1-CE1 3.91Å; V103-Y133 WeakPolarHBondContact CG1-OH 3.28Å; V103-Y133 HydrophobicContact CG2-CE1 4.14Å
104C57.4Low57.1Low77 Ų7792.1 Ų92.152%0.5254%0.541SS..Hα-helixtrans-93.8-6.1-170.8-57.30000112.3K100 V106K100-C104 WeakPolarHBondContact O-CA 3.28Å; K100-C104 WeakPolarHBondContact O-CB 3.49Å; K100-C104 PolarHBondContact O-N 3.44Å; K100-C104 VanDerWaalsContact O-N 3.08Å; C104-V106 HydrophobicContact CB-CG2 3.79Å; C104-V106 WeakPolarHBondContact O-CG2 3.39Å; C104-V106 PolarHBondContact O-N 2.89Å; C104-V106 VanDerWaalsContact O-N 3.08Å
105G55.2Low55.5Low40 Ų4090.1 Ų90.141%0.41254%0.543SS..  trans60.516.8-176.800000113.2K100 V101 P107K100-G105 PolarHBondContact O-N 3.41Å; V101-G105 WeakPolarHBondContact O-CA 3.32Å; V101-G105 PolarHBondContact O-N 3.2Å; G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.39Å
106V55Low54.5Low83 Ų8393.4 Ų93.450%0.50356%0.56SS.*  trans-87.8111.2-178.2-177.50000107.1C104 S108C104-V106 HydrophobicContact CB-CG2 3.79Å; C104-V106 WeakPolarHBondContact O-CG2 3.39Å; C104-V106 PolarHBondContact O-N 2.89Å; C104-V106 VanDerWaalsContact O-N 3.08Å; V106-S108 PolarHBondContact O-N 3.28Å
107P53Low52.7Low98 Ų98100.9 Ų100.964%0.63658%0.583SS**  trans-62.8135.3171.325.2-30.6000109.4G105 S109G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.39Å; P107-S109 PolarHBondContact O-N 2.85Å
108S54.2Low51.6Low63 Ų63100.8 Ų100.844%0.44160%0.597SS.*  trans-52111.5170.7-69.50000108.5E97 V106 S110E97-S108 PolarHBondContact OE2-OG 2.99Å; V106-S108 PolarHBondContact O-N 3.28Å; S108-S110 PolarHBondContact O-N 2.87Å
109S45.2Very low50.6Low123 Ų123108 Ų10886%0.8662%0.618SS**  trans-76.8102.9-174.7158.50000110P107P107-S109 PolarHBondContact O-N 2.85Å
110S46.1Very low49.7Very low106 Ų106112.6 Ų112.674%0.74164%0.644SS**  trans-142.5117.4151.863.10000110.4S108S108-S110 PolarHBondContact O-N 2.87Å
111A42.8Very low48.8Very low86 Ų86112.4 Ų112.471%0.71166%0.655SS**  trans69.2116157.100000119.4
112D38Very low47.7Very low136 Ų136114.8 Ų114.873%0.72767%0.672SS**  trans54.3100.1136.3-60.1-30.8000119.1
113H44.2Very low47.1Very low178 Ų178119.7 Ų119.782%0.82468%0.683SS**  -175.8118.5110.3-92.4-58.9000110.8S115H113-S115 PolarHBondContact O-N 3.46Å
114P38.7Very low46.4Very low130 Ų130125 Ų12584%0.84472%0.716SS**  trans-86.484.7173.834.4-29000108.3
115S40.5Very low46.1Very low95 Ų95125.2 Ų125.266%0.66471%0.714SS**  trans-149.5119.4171.8-1600000111.5H113H113-S115 PolarHBondContact O-N 3.46Å
116K48.1Very low46Very low192 Ų192127 Ų12784%0.83572%0.718SS**  trans75.988.9177.8-53.1176.2-176.8175.90113.9A118K116-A118 PolarHBondContact O-N 2.99Å
117R34.2Very low46Very low257 Ų257129.8 Ų129.897%0.9774%0.736SS**  trans-55.288.5157.4-81.2-177.7177.2177.8-0.9109.2K119R117-K119 PolarHBondContact O-N 3.18Å
118A45.6Very low46.3Very low84 Ų84126.8 Ų126.869%0.69471%0.714SS**  trans-65.5126.8156.800000106.6K116 M120K116-A118 PolarHBondContact O-N 2.99Å; A118-M120 VanDerWaalsContact C-N 3.35Å; A118-M120 PolarHBondContact O-N 3.18Å
119K47.4Very low46.9Very low207 Ų207126.4 Ų126.490%0.971%0.712SS**  trans-57.6101.8171.3-68.1175.5178.5177.60106.7R117 S121R117-K119 PolarHBondContact O-N 3.18Å; K119-S121 PolarHBondContact O-N 3.47Å
120M45.5Very low48.3Very low166 Ų166125.5 Ų125.582%0.81870%0.703SS**  trans-61.6105.8172-81.9-172.613500106.8A118A118-M120 VanDerWaalsContact C-N 3.35Å; A118-M120 PolarHBondContact O-N 3.18Å
121S46.5Very low49.9Very low94 Ų94126.3 Ų126.366%0.65770%0.699SS**  trans-49.7140.6154.635.30000107.4K119 K123K119-S121 PolarHBondContact O-N 3.47Å; S121-K123 VanDerWaalsContact C-N 3.35Å; S121-K123 PolarHBondContact O-N 3.13Å
122P44.1Very low51.4Low121 Ų121128 Ų12879%0.78669%0.688SS**  trans-57.1107.9173.423.8-29.4000106.1V124P122-V124 PolarHBondContact O-N 3.29Å
123K49Very low53.1Low160 Ų160125.1 Ų125.170%0.69667%0.667SS**  trans-56.4109.7170.2-112173.7174.7179.90103.8S121 V125S121-K123 VanDerWaalsContact C-N 3.35Å; S121-K123 PolarHBondContact O-N 3.13Å; K123-V125 PolarHBondContact O-N 3.36Å
124V44.8Very low54.8Low130 Ų130121.8 Ų121.879%0.78865%0.652SS**  trans-56.199.3166.1179.80000103.7P122 P126P122-V124 PolarHBondContact O-N 3.29Å; V124-P126 WeakPolarHBondContact O-CD 3.45Å; V124-P126 VanDerWaalsContact O-N 3.09Å
125V51.2Low56.7Low80 Ų80120.2 Ų120.249%0.48563%0.633SS.*  trans-57117.9170.3178.40000103.4K123 T127K123-V125 PolarHBondContact O-N 3.36Å; V125-T127 PolarHBondContact O-N 3.19Å
126P52Low58.5Low78 Ų78117.1 Ų117.151%0.50661%0.608SS.*  trans-53.4120.7173.920.9-28.1000105.1V124 L128V124-P126 WeakPolarHBondContact O-CD 3.45Å; V124-P126 VanDerWaalsContact O-N 3.09Å; P126-L128 PolarHBondContact O-N 2.97Å
127T55.5Low60Low142 Ų142111.4 Ų111.487%0.87159%0.589SS**  trans-66.989.1175.6-43.30000104.7V125 S129V125-T127 PolarHBondContact O-N 3.19Å; T127-S129 PolarHBondContact O-N 3.15Å
128L58.2Low62.4Low34 Ų34102.5 Ų102.518%0.17856%0.561CS.*  trans-59125.9178.1-72.5168.6000105.9V103 P126 Y132 Y133V103-L128 HydrophobicContact CB-CD1 4.33Å; V103-L128 HydrophobicContact CG2-CD1 3.51Å; P126-L128 PolarHBondContact O-N 2.97Å; L128-Y132 HydrophobicContact CB-CD1 4.41Å; L128-Y132 HydrophobicContact CD1-CD1 4.2Å; L128-Y132 HydrophobicContact CD1-CE1 4.42Å; L128-Y132 HydrophobicContact CD2-CD1 3.75Å; L128-Y132 HydrophobicContact CD2-CE1 4.05Å; L128-Y132 HydrophobicContact CD2-CG 4.16Å; L128-Y132 HydrophobicContact CG-CD1 4.35Å; L128-Y133 HydrophobicContact CB-CD2 4.13Å; L128-Y133 HydrophobicContact CB-CE2 3.5Å; L128-Y133 HydrophobicContact CD1-CE1 4.32Å; L128-Y133 HydrophobicContact CD1-CE2 4.37Å
129S66.7Low64.4Low56 Ų56103.3 Ų103.339%0.39255%0.548SS..  trans-52.7139.1176.4-175.80000108T127 D131 Y132 Y133T127-S129 PolarHBondContact O-N 3.15Å; S129-D131 PolarHBondContact O-N 3.35Å; S129-D131 PolarHBondContact OG-N 2.85Å; S129-D131 PolarHBondContact OG-OD2 3.3Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.46Å; S129-Y133 PolarHBondContact O-N 3.33Å
130P75.7Confident66.2Low103 Ų10396.8 Ų96.867%0.66952%0.523SS*.Hα-helixtrans-44.9-32.8167.4-28.835.7000112.7Y132 Y133 Q134P130-Y132 VanDerWaalsContact C-N 3.32Å; P130-Y132 PolarHBondContact O-N 3.42Å; P130-Y133 PolarHBondContact O-N 3.05Å; P130-Q134 PolarHBondContact O-N 3.43Å
131D78.4Confident68.3Low123 Ų12394 Ų9466%0.65851%0.508SS*.Hα-helixtrans-61.9-36.1175.8-50.5-39.4000113S129 Q134 H135S129-D131 PolarHBondContact O-N 3.35Å; S129-D131 PolarHBondContact OG-N 2.85Å; S129-D131 PolarHBondContact OG-OD2 3.3Å; D131-Q134 PolarHBondContact O-N 3.5Å; D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.92Å
132Y74.4Confident70.3Confident123 Ų12392.9 Ų92.948%0.48250%0.5SS..Hα-helixtrans-70.1-40178.5-172.1-92.4000111.5L128 S129 P130 Q134 F136L128-Y132 HydrophobicContact CB-CD1 4.41Å; L128-Y132 HydrophobicContact CD1-CD1 4.2Å; L128-Y132 HydrophobicContact CD1-CE1 4.42Å; L128-Y132 HydrophobicContact CD2-CD1 3.75Å; L128-Y132 HydrophobicContact CD2-CE1 4.05Å; L128-Y132 HydrophobicContact CD2-CG 4.16Å; L128-Y132 HydrophobicContact CG-CD1 4.35Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.46Å; P130-Y132 VanDerWaalsContact C-N 3.32Å; P130-Y132 PolarHBondContact O-N 3.42Å; Y132-Q134 VanDerWaalsContact C-N 3.35Å; Y132-F136 WeakPolarHBondContact O-CB 3.48Å; Y132-F136 PolarHBondContact O-N 3.19Å
133Y74.6Confident72.3Confident75 Ų7589.6 Ų89.629%0.29448%0.476SS..Hα-helixtrans-64.8-40.8173.1-72.7-74000111.7Y99 V103 L128 S129 P130 F136 T137Y99-Y133 HydrophobicContact CE2-CD1 4.16Å; Y99-Y133 HydrophobicContact CE2-CE1 4.08Å; Y99-Y133 AromaticContact CZ-CE1 3.97Å; Y99-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y99-Y133 WeakPolarHBondContact OH-CE1 3.49Å; V103-Y133 HydrophobicContact CG1-CE1 3.91Å; V103-Y133 WeakPolarHBondContact CG1-OH 3.28Å; V103-Y133 HydrophobicContact CG2-CE1 4.14Å; L128-Y133 HydrophobicContact CB-CD2 4.13Å; L128-Y133 HydrophobicContact CB-CE2 3.5Å; L128-Y133 HydrophobicContact CD1-CE1 4.32Å; L128-Y133 HydrophobicContact CD1-CE2 4.37Å; S129-Y133 PolarHBondContact O-N 3.33Å; P130-Y133 PolarHBondContact O-N 3.05Å; Y133-F136 PolarHBondContact O-N 2.95Å; Y133-T137 WeakPolarHBondContact O-CB 3.48Å; Y133-T137 PolarHBondContact O-N 2.86Å; Y133-T137 PolarHBondContact O-OG1 3.37Å
134Q79.2Confident74.1Confident107 Ų10786.1 Ų86.150%0.546%0.464SS..Hα-helixtrans-63.3-50177.5-169.859.944.700110.8P130 D131 Y132 F136 T137 D138P130-Q134 PolarHBondContact O-N 3.43Å; D131-Q134 PolarHBondContact O-N 3.5Å; Y132-Q134 VanDerWaalsContact C-N 3.35Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 2.97Å; Q134-T137 WeakPolarHBondContact O-CA 3.39Å; Q134-T137 WeakPolarHBondContact O-CB 3.38Å; Q134-T137 PolarHBondContact O-N 3Å; Q134-D138 PolarHBondContact NE2-OD1 2.88Å; Q134-D138 PolarHBondContact O-N 2.68Å
135H78.8Confident76.3Confident98 Ų9884.7 Ų84.745%0.45445%0.449SS..Hα-helixtrans-57.2-39.3176.8177.4-106.2000112.5D131 K139D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.92Å; H135-K139 WeakPolarHBondContact CE1-CE 3.36Å; H135-K139 PolarHBondContact CE1-NZ 3.35Å; H135-K139 VanDerWaalsContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact NE2-CE 3.37Å; H135-K139 WeakPolarHBondContact O-CB 3.3Å; H135-K139 WeakPolarHBondContact O-CG 3.42Å; H135-K139 PolarHBondContact O-N 2.72Å
136F77.7Confident78.2Confident30 Ų3085.2 Ų85.213%0.13245%0.449CS..Hα-helixtrans-65.9-41.8174.1-174.4-99.4000112.7Y95 Y99 Y132 Y133 Q134 K139 L140Y95-F136 HydrophobicContact CD1-CE2 4.09Å; Y99-F136 AromaticContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD2 4.37Å; Y99-F136 AromaticContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE2 4.13Å; Y99-F136 HydrophobicContact CD2-CG 4.25Å; Y99-F136 AromaticContact CD2-CZ 3.74Å; Y99-F136 HydrophobicContact CD2-CZ 3.74Å; Y99-F136 AromaticContact CE2-CD1 3.85Å; Y99-F136 HydrophobicContact CE2-CD1 3.85Å; Y99-F136 AromaticContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CG 4.38Å; Y99-F136 HydrophobicContact CE2-CZ 4.5Å; Y99-F136 HydrophobicContact CG-CE1 4.04Å; Y99-F136 HydrophobicContact CG-CZ 4.01Å; Y132-F136 WeakPolarHBondContact O-CB 3.48Å; Y132-F136 PolarHBondContact O-N 3.19Å; Y133-F136 PolarHBondContact O-N 2.95Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 2.97Å; F136-K139 PolarHBondContact O-N 3.24Å; F136-L140 HydrophobicContact CD1-CD1 3.86Å; F136-L140 HydrophobicContact CD1-CG 4.35Å; F136-L140 HydrophobicContact CE1-CD1 3.33Å; F136-L140 HydrophobicContact CE1-CG 3.98Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 HydrophobicContact CZ-CD2 4.5Å; F136-L140 HydrophobicContact CZ-CG 4.21Å; F136-L140 PolarHBondContact O-N 3.28Å
137T81.4Confident79.9Confident72 Ų7284 Ų8444%0.44244%0.438SS..Hα-helixtrans-63.9-43.1177.5-54.20000111.2Y133 Q134 K139 L140 Q141Y133-T137 WeakPolarHBondContact O-CB 3.48Å; Y133-T137 PolarHBondContact O-N 2.86Å; Y133-T137 PolarHBondContact O-OG1 3.37Å; Q134-T137 WeakPolarHBondContact O-CA 3.39Å; Q134-T137 WeakPolarHBondContact O-CB 3.38Å; Q134-T137 PolarHBondContact O-N 3Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.02Å; T137-L140 PolarHBondContact O-N 3.34Å; T137-Q141 PolarHBondContact O-N 3.47Å
138D84.7Confident81.5Confident70 Ų7082.6 Ų82.637%0.37442%0.422SS..Hα-helixtrans-64.4-39.4178-61.1-17.8000111.3Q134 Q141 S142Q134-D138 PolarHBondContact NE2-OD1 2.88Å; Q134-D138 PolarHBondContact O-N 2.68Å; D138-Q141 PolarHBondContact O-N 2.8Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 3.09Å; D138-S142 PolarHBondContact O-OG 2.78Å
139K87.1Confident82.9Confident100 Ų10084 Ų8444%0.43543%0.434SS..Hα-helixtrans-63.6-44.7173.7-79.9-173.3170.4-1700112.4H135 F136 T137 Q141 S142 I143H135-K139 WeakPolarHBondContact CE1-CE 3.36Å; H135-K139 PolarHBondContact CE1-NZ 3.35Å; H135-K139 VanDerWaalsContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact NE2-CE 3.37Å; H135-K139 WeakPolarHBondContact O-CB 3.3Å; H135-K139 WeakPolarHBondContact O-CG 3.42Å; H135-K139 PolarHBondContact O-N 2.72Å; F136-K139 PolarHBondContact O-N 3.24Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.02Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.48Å; K139-S142 PolarHBondContact O-N 3.25Å; K139-I143 VanDerWaalsContact O-CG1 3.3Å; K139-I143 WeakPolarHBondContact O-CG1 3.45Å; K139-I143 PolarHBondContact O-N 3.26Å
140L85.2Confident83.9Confident70 Ų7084.7 Ų84.737%0.36643%0.433SS..Hα-helixtrans-63.3-39.4176.4-77.6179.7000112.1L92 F136 T137 I143 N144L92-L140 HydrophobicContact CD2-CD2 3.78Å; F136-L140 HydrophobicContact CD1-CD1 3.86Å; F136-L140 HydrophobicContact CD1-CG 4.35Å; F136-L140 HydrophobicContact CE1-CD1 3.33Å; F136-L140 HydrophobicContact CE1-CG 3.98Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 HydrophobicContact CZ-CD2 4.5Å; F136-L140 HydrophobicContact CZ-CG 4.21Å; F136-L140 PolarHBondContact O-N 3.28Å; T137-L140 PolarHBondContact O-N 3.34Å; L140-I143 PolarHBondContact O-N 3.23Å; L140-N144 WeakPolarHBondContact O-CB 3.13Å; L140-N144 PolarHBondContact O-N 3.38Å
141Q88.5Confident84.3Confident108 Ų10883.2 Ų83.251%0.50543%0.425SS..Hα-helixtrans-62.7-45.9174.9-176.9177.8-22.200111.1T137 D138 K139 I143 N144 E145T137-Q141 PolarHBondContact O-N 3.47Å; D138-Q141 PolarHBondContact O-N 2.8Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.48Å; Q141-I143 VanDerWaalsContact C-N 3.34Å; Q141-I143 PolarHBondContact O-N 3.41Å; Q141-N144 WeakPolarHBondContact O-CB 3.3Å; Q141-N144 PolarHBondContact O-N 2.96Å; Q141-N144 VanDerWaalsContact O-N 3.13Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.48Å; Q141-E145 PolarHBondContact NE2-OE1 2.85Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.2Å
142S88.3Confident84.8Confident71 Ų7181.3 Ų81.350%0.49742%0.418SS..Hα-helixtrans-60.2-41.8178.1-57.20000112.2D138 K139 N144 E145 L146D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 3.09Å; D138-S142 PolarHBondContact O-OG 2.78Å; K139-S142 PolarHBondContact O-N 3.25Å; S142-N144 VanDerWaalsContact C-N 3.34Å; S142-N144 PolarHBondContact O-N 3.32Å; S142-E145 PolarHBondContact O-N 3.37Å; S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 PolarHBondContact O-N 3.03Å
143I87.7Confident85.3Confident52 Ų5278.9 Ų78.927%0.26742%0.416SS..Hα-helixtrans-63.2-41175.6-68.7165.3000111L88 L92 K139 L140 Q141 L146 N147L88-I143 HydrophobicContact CD2-CG2 3.72Å; L92-I143 HydrophobicContact CD1-CG2 3.99Å; L92-I143 HydrophobicContact CD2-CD1 4.37Å; L92-I143 HydrophobicContact CD2-CG2 3.97Å; L92-I143 HydrophobicContact CG-CG2 4.13Å; K139-I143 VanDerWaalsContact O-CG1 3.3Å; K139-I143 WeakPolarHBondContact O-CG1 3.45Å; K139-I143 PolarHBondContact O-N 3.26Å; L140-I143 PolarHBondContact O-N 3.23Å; Q141-I143 VanDerWaalsContact C-N 3.34Å; Q141-I143 PolarHBondContact O-N 3.41Å; I143-L146 PolarHBondContact O-N 3.1Å; I143-N147 PolarHBondContact O-N 3.04Å; I143-N147 PolarHBondContact O-ND2 3.32Å
144N86.4Confident85.9Confident86 Ų8680.4 Ų80.446%0.4643%0.426SS..Hα-helixtrans-66.5-40.7177.8-175.650.4000112.2L140 Q141 S142 N147 Q148L140-N144 WeakPolarHBondContact O-CB 3.13Å; L140-N144 PolarHBondContact O-N 3.38Å; Q141-N144 WeakPolarHBondContact O-CB 3.3Å; Q141-N144 PolarHBondContact O-N 2.96Å; Q141-N144 VanDerWaalsContact O-N 3.13Å; S142-N144 VanDerWaalsContact C-N 3.34Å; S142-N144 PolarHBondContact O-N 3.32Å; N144-N147 PolarHBondContact O-N 2.88Å; N144-Q148 PolarHBondContact ND2-NE2 2.93Å; N144-Q148 WeakPolarHBondContact O-CG 3.36Å; N144-Q148 PolarHBondContact O-N 3.35Å
145E90.9Very high86.4Confident100 Ų10081.6 Ų81.647%0.46743%0.429SS..Hα-helixtrans-62.6-41.8174.1-71.4174.8-167.100111.5Q141 S142 Q148 S149Q141-E145 WeakPolarHBondContact CG-OE1 3.48Å; Q141-E145 PolarHBondContact NE2-OE1 2.85Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.2Å; S142-E145 PolarHBondContact O-N 3.37Å; E145-Q148 PolarHBondContact O-N 3.17Å; E145-S149 PolarHBondContact O-N 3.45Å
146L90.4Very high86.8Confident91 Ų9182.1 Ų82.148%0.47644%0.435SS..Hα-helixtrans-61.2-44.8174.5-179.561000111.8S142 I143 Q148 S149 I150S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 PolarHBondContact O-N 3.03Å; I143-L146 PolarHBondContact O-N 3.1Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 2.97Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.06Å; L146-S149 VanDerWaalsContact O-N 3.15Å; L146-I150 HydrophobicContact CD1-CD1 4.29Å; L146-I150 HydrophobicContact CD1-CG1 4.38Å; L146-I150 HydrophobicContact CG-CD1 3.99Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.4Å
147N87.4Confident87.1Confident54 Ų5484.9 Ų84.929%0.28946%0.455SS..Hα-helixtrans-62-39.9177.5-78.4-22.6000112.8L88 I143 N144 S149 I150 S151L88-N147 VanDerWaalsContact CD2-ND2 3.3Å; L88-N147 WeakPolarHBondContact CD2-ND2 3.47Å; L88-N147 WeakPolarHBondContact CD2-OD1 3.48Å; I143-N147 PolarHBondContact O-N 3.04Å; I143-N147 PolarHBondContact O-ND2 3.32Å; N144-N147 PolarHBondContact O-N 2.88Å; N147-S149 VanDerWaalsContact C-N 3.35Å; N147-I150 PolarHBondContact O-N 2.95Å; N147-S151 WeakPolarHBondContact O-CB 2.97Å; N147-S151 PolarHBondContact O-N 2.83Å
148Q88.9Confident87.4Confident112 Ų11288.2 Ų88.252%0.52346%0.463SS..Hα-helixtrans-63.4-43.2173.8-69.9175.419.600111.1N144 E145 L146 S151 T152N144-Q148 PolarHBondContact ND2-NE2 2.93Å; N144-Q148 WeakPolarHBondContact O-CG 3.36Å; N144-Q148 PolarHBondContact O-N 3.35Å; E145-Q148 PolarHBondContact O-N 3.17Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 2.97Å; Q148-S151 PolarHBondContact O-N 2.98Å; Q148-T152 WeakPolarHBondContact O-CG2 3.19Å; Q148-T152 PolarHBondContact O-N 2.62Å; Q148-T152 PolarHBondContact O-OG1 2.98Å
149S89.6Confident87.4Confident63 Ų6389.4 Ų89.444%0.44147%0.466SS..Hα-helixtrans-59.8-46.3175.5-1740000112.1E145 L146 N147 S151 T152 T153E145-S149 PolarHBondContact O-N 3.45Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.06Å; L146-S149 VanDerWaalsContact O-N 3.15Å; N147-S149 VanDerWaalsContact C-N 3.35Å; S149-S151 PolarHBondContact O-N 3.49Å; S149-T152 PolarHBondContact O-N 3.33Å; S149-T152 PolarHBondContact O-OG1 3.24Å; S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.46Å; S149-T153 PolarHBondContact O-OG1 2.93Å
150I86.8Confident87.2Confident70 Ų7091.9 Ų91.936%0.35947%0.473SS..Hα-helixtrans-58.6-49.2175.7-68.5167.5000110.3L146 N147 T152 T153 E154L146-I150 HydrophobicContact CD1-CD1 4.29Å; L146-I150 HydrophobicContact CD1-CG1 4.38Å; L146-I150 HydrophobicContact CG-CD1 3.99Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.4Å; N147-I150 PolarHBondContact O-N 2.95Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.45Å; I150-T153 WeakPolarHBondContact O-CB 3.43Å; I150-T153 PolarHBondContact O-N 3.02Å; I150-T153 VanDerWaalsContact O-N 3.1Å; I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.47Å
151S84.5Confident87.2Confident73 Ų7396.2 Ų96.251%0.5148%0.484SS..Hα-helixtrans-59.4-42.2179.4-172.80000112.7N147 Q148 S149 K155N147-S151 WeakPolarHBondContact O-CB 2.97Å; N147-S151 PolarHBondContact O-N 2.83Å; Q148-S151 PolarHBondContact O-N 2.98Å; S149-S151 PolarHBondContact O-N 3.49Å; S151-K155 PolarHBondContact O-N 3.44Å
152T88.1Confident86.9Confident82 Ų8296.4 Ų96.450%0.50349%0.488SS..Hα-helixtrans-65.9-38.8175.460.90000112.3Q148 S149 I150 K155 L156Q148-T152 WeakPolarHBondContact O-CG2 3.19Å; Q148-T152 PolarHBondContact O-N 2.62Å; Q148-T152 PolarHBondContact O-OG1 2.98Å; S149-T152 PolarHBondContact O-N 3.33Å; S149-T152 PolarHBondContact O-OG1 3.24Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.45Å; T152-K155 WeakPolarHBondContact O-CB 3.46Å; T152-K155 PolarHBondContact O-N 3.39Å; T152-L156 WeakPolarHBondContact O-CG 3.5Å; T152-L156 PolarHBondContact O-N 3.33Å
153T86.3Confident86.5Confident72 Ų7295.5 Ų95.544%0.44249%0.485SS..Hα-helixtrans-66-43178.2-570000111.1S149 I150 K155 L156 T157S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.46Å; S149-T153 PolarHBondContact O-OG1 2.93Å; I150-T153 WeakPolarHBondContact O-CB 3.43Å; I150-T153 PolarHBondContact O-N 3.02Å; I150-T153 VanDerWaalsContact O-N 3.1Å; T153-K155 VanDerWaalsContact C-N 3.3Å; T153-K155 PolarHBondContact O-N 2.95Å; T153-L156 PolarHBondContact O-N 2.72Å; T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 3.06Å
154E87Confident86Confident107 Ų10795 Ų9550%0.548%0.482SS..Hα-helixtrans-60.4-39.5175.1-72.4-174.4162.600112.6I150 T157 K158I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.47Å; E154-T157 PolarHBondContact O-N 3.45Å; E154-K158 WeakPolarHBondContact O-CG 3.34Å; E154-K158 PolarHBondContact O-N 3.49Å
155K88.1Confident85.5Confident133 Ų13395.7 Ų95.758%0.57848%0.483SS*.Hα-helixtrans-62.6-47174.9-174.3-176.3173.9-170.60111.1S151 T152 T153 T157 K158 E159S151-K155 PolarHBondContact O-N 3.44Å; T152-K155 WeakPolarHBondContact O-CB 3.46Å; T152-K155 PolarHBondContact O-N 3.39Å; T153-K155 VanDerWaalsContact C-N 3.3Å; T153-K155 PolarHBondContact O-N 2.95Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.05Å; K155-K158 PolarHBondContact O-N 3.48Å; K155-E159 VanDerWaalsContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 3.33Å
156L87.5Confident84.7Confident108 Ų10896.3 Ų96.357%0.56548%0.484SS*.Hα-helixtrans-62.6-38.2176.7-72.2172.1000112T152 T153 E159 R160T152-L156 WeakPolarHBondContact O-CG 3.5Å; T152-L156 PolarHBondContact O-N 3.33Å; T153-L156 PolarHBondContact O-N 2.72Å; L156-E159 PolarHBondContact O-N 3.31Å; L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.2Å
157T84.7Confident84Confident89 Ų8997.3 Ų97.355%0.54649%0.489SS..Hα-helixtrans-62.8-41.7175.1-62.60000111.7T153 E154 K155 R160 R161T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 3.06Å; E154-T157 PolarHBondContact O-N 3.45Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.05Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R161 WeakPolarHBondContact O-CB 3.43Å; T157-R161 PolarHBondContact O-N 3.13Å
158K86.8Confident83.4Confident141 Ų14198.6 Ų98.661%0.61349%0.493SS*.Hα-helixtrans-63.9-44.9173.9-72.5172.3-177168.80112E154 K155 R161 L162E154-K158 WeakPolarHBondContact O-CG 3.34Å; E154-K158 PolarHBondContact O-N 3.49Å; K155-K158 PolarHBondContact O-N 3.48Å; K158-R161 PolarHBondContact O-N 3.39Å; K158-L162 WeakPolarHBondContact O-CG 3.47Å; K158-L162 PolarHBondContact O-N 3.46Å
159E85.4Confident82.5Confident96 Ų96100.7 Ų100.745%0.44950%0.502SS..Hα-helixtrans-61.7-43.1176.1-72.7177.4-172.900111.7K155 L156 R161 L162 A163K155-E159 VanDerWaalsContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 3.33Å; L156-E159 PolarHBondContact O-N 3.31Å; E159-R161 PolarHBondContact O-N 3.19Å; E159-L162 PolarHBondContact O-N 3.16Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.15Å
160R82.9Confident81.5Confident152 Ų152106.2 Ų106.257%0.57451%0.513SS*.Hα-helixtrans-59.5-46.4174.5-177.9-178.5178-165-1.6111.4L156 T157 L162 A163 I164L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.2Å; T157-R160 PolarHBondContact O-N 3.15Å; R160-L162 PolarHBondContact O-N 3.33Å; R160-A163 PolarHBondContact O-N 3Å; R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.33Å
161R84.8Confident80.5Confident160 Ų160106.4 Ų106.460%0.60453%0.525SS*.Hα-helixtrans-60.1-44.4177.8-177.7176.7172.6149.40.7111.9T157 K158 E159 I164 Q165T157-R161 WeakPolarHBondContact O-CB 3.43Å; T157-R161 PolarHBondContact O-N 3.13Å; K158-R161 PolarHBondContact O-N 3.39Å; E159-R161 PolarHBondContact O-N 3.19Å; R161-I164 PolarHBondContact O-N 3.5Å; R161-Q165 WeakPolarHBondContact O-CG 3.34Å; R161-Q165 PolarHBondContact O-N 2.93Å
162L83.4Confident79.6Confident112 Ų112106.6 Ų106.659%0.58652%0.521SS*.Hα-helixtrans-63.8-41.3176.1-72.1172000112.1K158 E159 R160 Q165 F166K158-L162 WeakPolarHBondContact O-CG 3.47Å; K158-L162 PolarHBondContact O-N 3.46Å; E159-L162 PolarHBondContact O-N 3.16Å; R160-L162 PolarHBondContact O-N 3.33Å; L162-Q165 PolarHBondContact O-N 3.38Å; L162-F166 WeakPolarHBondContact O-CB 3.44Å; L162-F166 PolarHBondContact O-N 2.94Å
163A78.3Confident78.4Confident52 Ų52104.4 Ų104.443%0.4351%0.508SS..Hα-helixtrans-62.6-41.6175.800000112E159 R160 F166 L167E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.15Å; R160-A163 PolarHBondContact O-N 3Å; A163-F166 PolarHBondContact O-N 2.93Å; A163-L167 WeakPolarHBondContact O-CG 2.83Å; A163-L167 PolarHBondContact O-N 3.26Å
164I78.4Confident77.7Confident42 Ų42104.9 Ų104.922%0.21551%0.508CS..Hα-helixtrans-63.9-45.3175-68.5167.5000110.6R160 R161 F166 L167 K168R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.33Å; R161-I164 PolarHBondContact O-N 3.5Å; I164-F166 VanDerWaalsContact C-N 3.32Å; I164-F166 PolarHBondContact O-N 2.8Å; I164-L167 PolarHBondContact O-N 3.22Å; I164-K168 HydrophobicContact CG2-CD 4.17Å; I164-K168 HydrophobicContact CG2-CG 4.33Å; I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 WeakPolarHBondContact O-CG 3.48Å; I164-K168 PolarHBondContact O-N 3.43Å
165Q76.1Confident76.9Confident100 Ų100106.6 Ų106.647%0.46752%0.516SS..Hα-helixtrans-61.5-40.8176.5-75.4-173.9-5.300112.2R161 L162 L167 K168 H169R161-Q165 WeakPolarHBondContact O-CG 3.34Å; R161-Q165 PolarHBondContact O-N 2.93Å; L162-Q165 PolarHBondContact O-N 3.38Å; Q165-L167 VanDerWaalsContact C-N 3.35Å; Q165-K168 PolarHBondContact O-N 3.33Å; Q165-H169 WeakPolarHBondContact O-CB 3.5Å; Q165-H169 PolarHBondContact O-N 3.35Å
166F74.5Confident76.1Confident113 Ų113103.4 Ų103.450%0.49651%0.508SS..Hα-helixtrans-63.2-41.3175.2-178-98.4000112.1L162 A163 I164 R170L162-F166 WeakPolarHBondContact O-CB 3.44Å; L162-F166 PolarHBondContact O-N 2.94Å; A163-F166 PolarHBondContact O-N 2.93Å; I164-F166 VanDerWaalsContact C-N 3.32Å; I164-F166 PolarHBondContact O-N 2.8Å; F166-R170 HydrophobicContact CE1-CG 4.26Å; F166-R170 HydrophobicContact CZ-CG 4.36Å; F166-R170 WeakPolarHBondContact O-CB 3.4Å; F166-R170 PolarHBondContact O-N 3.47Å
167L74.2Confident75.4Confident112 Ų11298.8 Ų98.859%0.58649%0.486SS*.Hα-helixtrans-66.3-43.4174.7-72.3171.5000111.6A163 I164 Q165 H169 R170 A171A163-L167 WeakPolarHBondContact O-CG 2.83Å; A163-L167 PolarHBondContact O-N 3.26Å; I164-L167 PolarHBondContact O-N 3.22Å; Q165-L167 VanDerWaalsContact C-N 3.35Å; L167-H169 PolarHBondContact O-N 2.92Å; L167-R170 PolarHBondContact O-N 3.02Å; L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 3.08Å
168K75.1Confident75Confident82 Ų8297.3 Ų97.336%0.35748%0.479SS..Hα-helixtrans-59.4-45.4174.7-74.9-176.8176.5-177.40111.2I164 Q165 R170 A171 D172 D231I164-K168 HydrophobicContact CG2-CD 4.17Å; I164-K168 HydrophobicContact CG2-CG 4.33Å; I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 WeakPolarHBondContact O-CG 3.48Å; I164-K168 PolarHBondContact O-N 3.43Å; Q165-K168 PolarHBondContact O-N 3.33Å; K168-R170 VanDerWaalsContact C-N 3.34Å; K168-R170 PolarHBondContact O-N 3.32Å; K168-A171 CarbonylContact O-C 3.51Å; K168-A171 PolarHBondContact O-N 2.91Å; K168-D172 PolarHBondContact O-N 3.39Å; K168-D231 IonicContact NZ-OD2 3.27Å
169H70.6Confident74.4Confident156 Ų15692.5 Ų92.572%0.72247%0.466SS*.Hα-helixtrans-64.7-35176.2-174.9-59.8000112.6Q165 L167Q165-H169 WeakPolarHBondContact O-CB 3.5Å; Q165-H169 PolarHBondContact O-N 3.35Å; L167-H169 PolarHBondContact O-N 2.92Å
170R67.5Low74Confident178 Ų17888.9 Ų88.967%0.67245%0.449SS*.Hα-helixtrans-76.3-32.6175-84.2-167.1167.6-172.3-1.1113.4F166 L167 K168F166-R170 HydrophobicContact CE1-CG 4.26Å; F166-R170 HydrophobicContact CZ-CG 4.36Å; F166-R170 WeakPolarHBondContact O-CB 3.4Å; F166-R170 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.02Å; K168-R170 VanDerWaalsContact C-N 3.34Å; K168-R170 PolarHBondContact O-N 3.32Å
171A65.6Low73.8Confident74 Ų7487.5 Ų87.561%0.61245%0.447SS*.SBendtrans-84.11177.900000112.3L167 K168 S173L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 3.08Å; K168-A171 CarbonylContact O-C 3.51Å; K168-A171 PolarHBondContact O-N 2.91Å; A171-S173 PolarHBondContact O-N 3.23Å
172D67.1Low73.6Confident78 Ų7885.3 Ų85.342%0.41744%0.444SS..  trans-62.885.7172.4-166.6-9.8000109.1K168 D174 H175K168-D172 PolarHBondContact O-N 3.39Å; D172-D174 PolarHBondContact O-N 2.87Å; D172-D174 WeakPolarHBondContact OD1-CB 3.5Å; D172-D174 PolarHBondContact OD1-N 3.36Å; D172-H175 PolarHBondContact O-N 3.26Å
173S63.2Low73.5Confident35 Ų3584 Ų8425%0.24544%0.437CS..Hα-helixtrans-60.9-21.8-177.656.30000111.2A171 V176 G177A171-S173 PolarHBondContact O-N 3.23Å; S173-V176 PolarHBondContact O-N 3.42Å; S173-G177 WeakPolarHBondContact O-CA 3.3Å; S173-G177 PolarHBondContact O-N 2.77Å
174D70.2Confident73.4Confident83 Ų8384 Ų8444%0.44443%0.428SS..Hα-helixtrans-70.9-38.2-179-66.7-5000110.1D172 S178 R216D172-D174 PolarHBondContact O-N 2.87Å; D172-D174 WeakPolarHBondContact OD1-CB 3.5Å; D172-D174 PolarHBondContact OD1-N 3.36Å; D174-S178 VanDerWaalsContact O-CB 3.24Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.38Å; D174-R216 IonicContact OD1-CZ 3.17Å; D174-R216 IonicContact OD1-NE 3.97Å; D174-R216 PolarHBondContact OD1-NE 3Å; D174-R216 IonicContact OD1-NH2 2.82Å; D174-R216 PolarHBondContact OD1-NH2 3.34Å; D174-R216 IonicContact OD2-NH2 3.37Å; D174-R216 PolarHBondContact OD2-NH2 3.4Å
175H70.4Confident73.6Confident142 Ų14287.2 Ų87.266%0.65744%0.442SS*.Hα-helixtrans-67.4-45.3174.2-170.663.5000111.8D172 S178 A179D172-H175 PolarHBondContact O-N 3.26Å; H175-S178 PolarHBondContact O-N 3.24Å; H175-A179 WeakPolarHBondContact O-CB 3.42Å; H175-A179 PolarHBondContact O-N 3.3Å
176V70.6Confident73.9Confident67 Ų6786.9 Ų86.941%0.40644%0.443SS..Hα-helixtrans-64.7-44.7178.7179.40000110.9S173 A179 L180 V212S173-V176 PolarHBondContact O-N 3.42Å; V176-A179 PolarHBondContact O-N 2.77Å; V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.48Å; V176-L180 WeakPolarHBondContact O-CB 3.46Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.2Å; V176-V212 HydrophobicContact CG1-CG2 4.19Å
177G72.9Confident74Confident10 Ų1081.7 Ų81.710%0.10342%0.421CS..Hα-helixtrans-65-40.6177.500000112.5S173 L180 K181 Q209S173-G177 WeakPolarHBondContact O-CA 3.3Å; S173-G177 PolarHBondContact O-N 2.77Å; G177-L180 PolarHBondContact O-N 2.98Å; G177-K181 VanDerWaalsContact O-CB 3.32Å; G177-K181 WeakPolarHBondContact O-CB 3.35Å; G177-K181 PolarHBondContact O-N 3.49Å; G177-Q209 PolarHBondContact O-OE1 3.22Å
178S76.6Confident74.1Confident58 Ų5878.4 Ų78.441%0.40641%0.408SS..Hα-helixtrans-62.5-46.6174.5-166.70000111.4D174 H175 L180 K181 E182D174-S178 VanDerWaalsContact O-CB 3.24Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.38Å; H175-S178 PolarHBondContact O-N 3.24Å; S178-L180 PolarHBondContact O-N 3.43Å; S178-K181 PolarHBondContact O-N 2.88Å; S178-E182 WeakPolarHBondContact O-CG 3.15Å; S178-E182 PolarHBondContact O-N 3.35Å
179A75.3Confident74.4Confident40 Ų4079.2 Ų79.233%0.33142%0.415SS..Hα-helixtrans-63.2-40.7178.600000112.3H175 V176 L183H175-A179 WeakPolarHBondContact O-CB 3.42Å; H175-A179 PolarHBondContact O-N 3.3Å; V176-A179 PolarHBondContact O-N 2.77Å; A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 WeakPolarHBondContact O-CG 3.2Å; A179-L183 PolarHBondContact O-N 2.9Å
180L77Confident74.8Confident20 Ų2075.1 Ų75.111%0.10540%0.398CS..Hα-helixtrans-65.9-40.7175.8-76.5173.6000112V176 G177 S178 L183 H184 L205 M208 V212V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.48Å; V176-L180 WeakPolarHBondContact O-CB 3.46Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.2Å; G177-L180 PolarHBondContact O-N 2.98Å; S178-L180 PolarHBondContact O-N 3.43Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-H184 WeakPolarHBondContact O-CB 3.41Å; L180-H184 PolarHBondContact O-N 3.46Å; L180-L205 HydrophobicContact CD2-CD2 3.94Å; L180-M208 HydrophobicContact CD1-CB 4.15Å; L180-M208 HydrophobicContact CD2-CB 4.1Å; L180-M208 HydrophobicContact CD2-CE 3.94Å; L180-V212 HydrophobicContact CD1-CB 4.46Å; L180-V212 HydrophobicContact CD1-CG2 3.75Å
181K77.5Confident75.2Confident123 Ų12370.8 Ų70.854%0.53538%0.384SS..Hα-helixtrans-62.2-46.3175-174.9-176.9174.5-170.40112G177 S178 L183 H184 E185G177-K181 VanDerWaalsContact O-CB 3.32Å; G177-K181 WeakPolarHBondContact O-CB 3.35Å; G177-K181 PolarHBondContact O-N 3.49Å; S178-K181 PolarHBondContact O-N 2.88Å; K181-L183 PolarHBondContact O-N 3.24Å; K181-H184 WeakPolarHBondContact O-CB 3.28Å; K181-H184 PolarHBondContact O-N 3.44Å; K181-E185 VanDerWaalsContact CE-OE1 3.3Å; K181-E185 WeakPolarHBondContact CE-OE1 3.45Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.45Å
182E81.3Confident76Confident115 Ų11571.5 Ų71.554%0.53739%0.385SS..Hα-helixtrans-60.5-44.5175.9-74.2175.6-158.100111.5S178 H184 E185 I186S178-E182 WeakPolarHBondContact O-CG 3.15Å; S178-E182 PolarHBondContact O-N 3.35Å; E182-H184 VanDerWaalsContact C-N 3.31Å; E182-H184 PolarHBondContact O-N 2.97Å; E182-E185 PolarHBondContact O-N 3.36Å; E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.04Å
183L80.9Confident76.7Confident85 Ų8575.1 Ų75.145%0.44540%0.397SS..Hα-helixtrans-62-38.8175-76.9168.4000112.1A179 L180 K181 I186 G187 L205A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 WeakPolarHBondContact O-CG 3.2Å; A179-L183 PolarHBondContact O-N 2.9Å; L180-L183 PolarHBondContact O-N 2.92Å; K181-L183 PolarHBondContact O-N 3.24Å; L183-I186 PolarHBondContact O-N 2.96Å; L183-G187 PolarHBondContact O-N 2.87Å; L183-L205 HydrophobicContact CB-CD1 3.95Å; L183-L205 HydrophobicContact CB-CD2 3.78Å; L183-L205 HydrophobicContact CD1-CD2 4.11Å
184H77.4Confident77.4Confident52 Ų5276 Ų7624%0.24141%0.412CS..Hα-helixtrans-64.7-40.6175.3174.8-83.6000111.8L180 K181 E182 G187 S188 H202L180-H184 WeakPolarHBondContact O-CB 3.41Å; L180-H184 PolarHBondContact O-N 3.46Å; K181-H184 WeakPolarHBondContact O-CB 3.28Å; K181-H184 PolarHBondContact O-N 3.44Å; E182-H184 VanDerWaalsContact C-N 3.31Å; E182-H184 PolarHBondContact O-N 2.97Å; H184-G187 PolarHBondContact O-N 2.68Å; H184-S188 WeakPolarHBondContact O-CB 3.37Å; H184-S188 PolarHBondContact O-N 3.25Å; H184-S188 PolarHBondContact O-OG 3.02Å; H184-H202 AromaticContact CD2-NE2 3.99Å; H184-H202 AromaticContact NE2-CD2 3.96Å; H184-H202 AromaticContact NE2-CE1 3.85Å; H184-H202 AromaticContact NE2-NE2 3.34Å; H184-H202 PolarHBondContact NE2-NE2 3.29Å
185E82.6Confident77.5Confident109 Ų10975 Ų7551%0.50941%0.409SS..Hα-helixtrans-63.8-43.1174.2-72.3176.1-167.500111.5K181 E182 S188 L189K181-E185 VanDerWaalsContact CE-OE1 3.3Å; K181-E185 WeakPolarHBondContact CE-OE1 3.45Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.45Å; E182-E185 PolarHBondContact O-N 3.36Å; E185-S188 PolarHBondContact O-N 2.83Å; E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 2.99Å
186I80.9Confident77.2Confident93 Ų9373.8 Ų73.848%0.47741%0.411SS..Hα-helixtrans-61.8-44.5173.8-66.4164.7000110.8E182 L183 S188 L189 L190E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.04Å; L183-I186 PolarHBondContact O-N 2.96Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.01Å; I186-L189 PolarHBondContact O-N 3.26Å; I186-L190 HydrophobicContact CG2-CD1 4.04Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.39Å; I186-L190 PolarHBondContact O-N 3.38Å
187G76.7Confident76.9Confident3 Ų377.2 Ų77.23%0.03143%0.427CS..Hα-helixtrans-60.9-4317700000112.5L183 H184 L190 K191 V198L183-G187 PolarHBondContact O-N 2.87Å; H184-G187 PolarHBondContact O-N 2.68Å; G187-L190 PolarHBondContact O-N 3.03Å; G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 2.98Å; G187-V198 WeakPolarHBondContact O-CG1 3.44Å
188S77.4Confident76.3Confident44 Ų4477.2 Ų77.231%0.30843%0.425SS..Hα-helixtrans-63.3-41.6175.5-62.70000112H184 E185 I186 K191 S192H184-S188 WeakPolarHBondContact O-CB 3.37Å; H184-S188 PolarHBondContact O-N 3.25Å; H184-S188 PolarHBondContact O-OG 3.02Å; E185-S188 PolarHBondContact O-N 2.83Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.01Å; S188-K191 WeakPolarHBondContact O-CB 3.44Å; S188-K191 PolarHBondContact O-N 3.39Å; S188-S192 PolarHBondContact O-N 3.4Å
189L81.9Confident75.4Confident98 Ų9878.6 Ų78.651%0.51343%0.425SS..Hα-helixtrans-64.5-47.4177.5-174.666.8000111.4E185 I186 K191 S192 F193E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 2.99Å; I186-L189 PolarHBondContact O-N 3.26Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.86Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.19Å; L189-S192 PolarHBondContact O-OG 2.9Å; L189-F193 HydrophobicContact CD1-CD2 4.32Å; L189-F193 HydrophobicContact CD1-CE2 3.68Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; L189-F193 HydrophobicContact CD2-CE2 4.16Å; L189-F193 HydrophobicContact CG-CD2 4.02Å; L189-F193 HydrophobicContact CG-CE2 3.62Å; L189-F193 WeakPolarHBondContact O-CD2 3.5Å; L189-F193 PolarHBondContact O-N 3.07Å; L189-F193 VanDerWaalsContact O-N 3.1Å
190L78.3Confident74.7Confident70 Ų7082.2 Ų82.237%0.36644%0.443SS..Hα-helixtrans-62.9-36.9176.8-67.9170.8000112.1I186 G187 S192 F193 G194 V195 V198I186-L190 HydrophobicContact CG2-CD1 4.04Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.39Å; I186-L190 PolarHBondContact O-N 3.38Å; G187-L190 PolarHBondContact O-N 3.03Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.4Å; L190-F193 PolarHBondContact O-N 3.46Å; L190-G194 PolarHBondContact O-N 2.86Å; L190-V195 HydrophobicContact CB-CB 4.2Å; L190-V195 HydrophobicContact CB-CG2 4.21Å; L190-V195 HydrophobicContact CD2-CG2 4.19Å; L190-V195 WeakPolarHBondContact O-CB 3.25Å; L190-V195 WeakPolarHBondContact O-CG2 3.33Å; L190-V195 PolarHBondContact O-N 3.32Å; L190-V198 HydrophobicContact CB-CB 4.42Å; L190-V198 HydrophobicContact CB-CG1 4.17Å; L190-V198 HydrophobicContact CB-CG2 3.77Å; L190-V198 HydrophobicContact CD1-CG2 4.02Å
191K76.5Confident74.2Confident88 Ų8883.5 Ų83.538%0.38345%0.454SS..Hα-helixtrans-60.3-40.2171.9174.8162.7-178.3168.70111.6G187 S188 L189 F193 G194 H199G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 2.98Å; S188-K191 WeakPolarHBondContact O-CB 3.44Å; S188-K191 PolarHBondContact O-N 3.39Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.86Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.97Å; K191-G194 PolarHBondContact O-N 2.76Å; K191-G194 VanDerWaalsContact O-N 3.14Å; K191-H199 WeakPolarHBondContact CD-CE1 3.46Å; K191-H199 WeakPolarHBondContact CE-CE1 3.43Å; K191-H199 WeakPolarHBondContact CE-NE2 3.43Å
192S81.6Confident73.8Confident89 Ų8979 Ų7962%0.62244%0.435SS*.Hα-helixtrans-66.9-28.7175.980.60000113.7S188 L189 L190 G194S188-S192 PolarHBondContact O-N 3.4Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.19Å; L189-S192 PolarHBondContact O-OG 2.9Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.4Å; S192-G194 PolarHBondContact O-N 3.49Å
193F82.2Confident73.4Confident154 Ų15478.3 Ų78.368%0.67544%0.435SS*.THydrogen-bonded Turntrans-80.32.9173-73.7-63.1000114L189 L190 K191L189-F193 HydrophobicContact CD1-CD2 4.32Å; L189-F193 HydrophobicContact CD1-CE2 3.68Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; L189-F193 HydrophobicContact CD2-CE2 4.16Å; L189-F193 HydrophobicContact CG-CD2 4.02Å; L189-F193 HydrophobicContact CG-CE2 3.62Å; L189-F193 WeakPolarHBondContact O-CD2 3.5Å; L189-F193 PolarHBondContact O-N 3.07Å; L189-F193 VanDerWaalsContact O-N 3.1Å; L190-F193 PolarHBondContact O-N 3.46Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.97Å
194G77.1Confident73.2Confident54 Ų5481.1 Ų81.156%0.55744%0.44SS*.THydrogen-bonded Turntrans80.716.1178.800000114.5L190 K191 S192 T196L190-G194 PolarHBondContact O-N 2.86Å; K191-G194 PolarHBondContact O-N 2.76Å; K191-G194 VanDerWaalsContact O-N 3.14Å; S192-G194 PolarHBondContact O-N 3.49Å; G194-T196 PolarHBondContact O-N 3.17Å; G194-T196 VanDerWaalsContact O-N 3.16Å
195V71.7Confident73.3Confident62 Ų6279.5 Ų79.538%0.37643%0.434SS..  trans-73.2106.6174-170.60000109L190 V198L190-V195 HydrophobicContact CB-CB 4.2Å; L190-V195 HydrophobicContact CB-CG2 4.21Å; L190-V195 HydrophobicContact CD2-CG2 4.19Å; L190-V195 WeakPolarHBondContact O-CB 3.25Å; L190-V195 WeakPolarHBondContact O-CG2 3.33Å; L190-V195 PolarHBondContact O-N 3.32Å; V195-V198 HydrophobicContact CB-CG2 3.88Å; V195-V198 HydrophobicContact CG1-CG2 3.59Å
196T64.3Low73.2Confident116 Ų11679.2 Ų79.271%0.71243%0.431SS*.G310 helixtrans-77.4-24.7-17050.90000114.3G194 V198G194-T196 PolarHBondContact O-N 3.17Å; G194-T196 VanDerWaalsContact O-N 3.16Å; T196-V198 PolarHBondContact O-N 3.19Å
197N64.4Low73.3Confident138 Ų13878.6 Ų78.674%0.73843%0.428SS*.G310 helixtrans-76.12.3178.1-78.80.8000114.3T200N197-T200 PolarHBondContact O-OG1 3.37Å
198V60.7Low73.4Confident11 Ų1180.5 Ų80.57%0.06744%0.437CS..G310 helixtrans-91.9-12.4-176.7-1790000112.5G187 L190 V195 T196 T200 S201 H202G187-V198 WeakPolarHBondContact O-CG1 3.44Å; L190-V198 HydrophobicContact CB-CB 4.42Å; L190-V198 HydrophobicContact CB-CG1 4.17Å; L190-V198 HydrophobicContact CB-CG2 3.77Å; L190-V198 HydrophobicContact CD1-CG2 4.02Å; V195-V198 HydrophobicContact CB-CG2 3.88Å; V195-V198 HydrophobicContact CG1-CG2 3.59Å; T196-V198 PolarHBondContact O-N 3.19Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.16Å; V198-S201 WeakPolarHBondContact CA-OG 3.32Å; V198-S201 PolarHBondContact O-N 2.82Å; V198-S201 PolarHBondContact O-OG 3.08Å; V198-H202 WeakPolarHBondContact O-CB 3.22Å; V198-H202 PolarHBondContact O-N 2.96Å
199H58.9Low73.6Confident87 Ų8779.8 Ų79.840%0.40343%0.429SS..Hα-helixtrans-63.8-38.7-179.2-76.827000112.5K191 S201 H202 D203K191-H199 WeakPolarHBondContact CD-CE1 3.46Å; K191-H199 WeakPolarHBondContact CE-CE1 3.43Å; K191-H199 WeakPolarHBondContact CE-NE2 3.43Å; H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.42Å; H199-H202 PolarHBondContact O-N 3.46Å; H199-D203 PolarHBondContact O-N 3.41Å
200T60.7Low73.7Confident116 Ų11679.3 Ų79.371%0.71243%0.427SS*.Hα-helixtrans-68.6-32.5176.647.90000112.5N197 V198 Y204N197-T200 PolarHBondContact O-OG1 3.37Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.16Å; T200-Y204 VanDerWaalsContact O-CB 3.22Å; T200-Y204 WeakPolarHBondContact O-CB 3.24Å; T200-Y204 PolarHBondContact O-N 3.27Å
201S66.4Low73.8Confident47 Ų4783 Ų8333%0.32944%0.436SS..Hα-helixtrans-78.4-35175.956.20000112.3V198 H199 L205V198-S201 WeakPolarHBondContact CA-OG 3.32Å; V198-S201 PolarHBondContact O-N 2.82Å; V198-S201 PolarHBondContact O-OG 3.08Å; H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.42Å; S201-L205 VanDerWaalsContact O-CB 3.25Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 WeakPolarHBondContact O-CD1 3.45Å; S201-L205 WeakPolarHBondContact O-CG 3.12Å; S201-L205 PolarHBondContact O-N 3.46Å
202H67.8Low73.9Confident27 Ų2779.5 Ų79.513%0.12542%0.422CS..Hα-helixtrans-61.4-53.3178.1175.1-79.5000112.2H184 V198 H199 Y204 L205 K206H184-H202 AromaticContact CD2-NE2 3.99Å; H184-H202 AromaticContact NE2-CD2 3.96Å; H184-H202 AromaticContact NE2-CE1 3.85Å; H184-H202 AromaticContact NE2-NE2 3.34Å; H184-H202 PolarHBondContact NE2-NE2 3.29Å; V198-H202 WeakPolarHBondContact O-CB 3.22Å; V198-H202 PolarHBondContact O-N 2.96Å; H199-H202 PolarHBondContact O-N 3.46Å; H202-Y204 VanDerWaalsContact C-N 3.29Å; H202-Y204 PolarHBondContact O-N 3.22Å; H202-L205 PolarHBondContact O-N 3.44Å; H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 2.83Å
203D73.8Confident73.8Confident102 Ų10278.1 Ų78.155%0.54541%0.407SS..Hα-helixtrans-67.9-34.4-177-65.1-15.5000111.2H199 K206 D207H199-D203 PolarHBondContact O-N 3.41Å; D203-K206 PolarHBondContact O-N 3.49Å; D203-D207 PolarHBondContact O-N 2.92Å
204Y76.2Confident73.8Confident143 Ų14376.9 Ų76.956%0.56140%0.402SS*.Hα-helixtrans-67-42.9173.5-176.8-108.5000112.8T200 H202 K206 D207 M208T200-Y204 VanDerWaalsContact O-CB 3.22Å; T200-Y204 WeakPolarHBondContact O-CB 3.24Å; T200-Y204 PolarHBondContact O-N 3.27Å; H202-Y204 VanDerWaalsContact C-N 3.29Å; H202-Y204 PolarHBondContact O-N 3.22Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.29Å; Y204-D207 PolarHBondContact O-N 2.91Å; Y204-M208 HydrophobicContact CD1-CE 3.36Å; Y204-M208 HydrophobicContact CD1-SD 4.11Å; Y204-M208 HydrophobicContact CE1-CE 3.18Å; Y204-M208 HydrophobicContact CE1-CG 4.31Å; Y204-M208 HydrophobicContact CE1-SD 3.4Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.4Å; Y204-M208 HydrophobicContact CE2-SD 4.44Å; Y204-M208 HydrophobicContact CG-CE 4.28Å; Y204-M208 VanDerWaalsContact CZ-SD 3.58Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 2.94Å
205L78.4Confident73.6Confident19 Ų1979 Ų7910%0.09940%0.398CS..Hα-helixtrans-63.9-39.1175.3-75.7166.3000111.3L180 L183 S201 H202 M208 Q209L180-L205 HydrophobicContact CD2-CD2 3.94Å; L183-L205 HydrophobicContact CB-CD1 3.95Å; L183-L205 HydrophobicContact CB-CD2 3.78Å; L183-L205 HydrophobicContact CD1-CD2 4.11Å; S201-L205 VanDerWaalsContact O-CB 3.25Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 WeakPolarHBondContact O-CD1 3.45Å; S201-L205 WeakPolarHBondContact O-CG 3.12Å; S201-L205 PolarHBondContact O-N 3.46Å; H202-L205 PolarHBondContact O-N 3.44Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CG-CE 4.36Å; L205-M208 PolarHBondContact O-N 3.4Å; L205-Q209 WeakPolarHBondContact O-CB 3.44Å; L205-Q209 PolarHBondContact O-N 3.45Å
206K81Confident73.5Confident103 Ų10381.1 Ų81.145%0.44840%0.399SS..Hα-helixtrans-65.1-45.5175.7-172.9175.7178.7-178.50112.2H202 D203 Y204 M208 Q209 D210H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 2.83Å; D203-K206 PolarHBondContact O-N 3.49Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.29Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 3.02Å; K206-Q209 PolarHBondContact O-N 2.88Å; K206-D210 WeakPolarHBondContact O-CB 3.43Å; K206-D210 PolarHBondContact O-N 3.49Å
207D82.5Confident73.9Confident79 Ų7980.1 Ų80.142%0.42239%0.39SS..Hα-helixtrans-58.6-42.7174.4178.675.8000111.6D203 Y204 D210 R211D203-D207 PolarHBondContact O-N 2.92Å; Y204-D207 PolarHBondContact O-N 2.91Å; D207-D210 PolarHBondContact O-N 3.47Å; D207-R211 WeakPolarHBondContact O-CB 3.43Å; D207-R211 WeakPolarHBondContact O-CG 3.44Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 WeakPolarHBondContact OD2-CD 3.3Å; D207-R211 IonicContact OD2-NH1 3.92Å
208M79.7Confident74.1Confident43 Ų4378 Ų7821%0.21238%0.375CS..Hα-helixtrans-64.5-41175.8-72.5-170.8-6300112.4L180 Y204 L205 K206 R211 V212L180-M208 HydrophobicContact CD1-CB 4.15Å; L180-M208 HydrophobicContact CD2-CB 4.1Å; L180-M208 HydrophobicContact CD2-CE 3.94Å; Y204-M208 HydrophobicContact CD1-CE 3.36Å; Y204-M208 HydrophobicContact CD1-SD 4.11Å; Y204-M208 HydrophobicContact CE1-CE 3.18Å; Y204-M208 HydrophobicContact CE1-CG 4.31Å; Y204-M208 HydrophobicContact CE1-SD 3.4Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.4Å; Y204-M208 HydrophobicContact CE2-SD 4.44Å; Y204-M208 HydrophobicContact CG-CE 4.28Å; Y204-M208 VanDerWaalsContact CZ-SD 3.58Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 2.94Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CG-CE 4.36Å; L205-M208 PolarHBondContact O-N 3.4Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 3.02Å; M208-R211 PolarHBondContact O-N 2.86Å; M208-V212 WeakPolarHBondContact O-CG2 3.2Å; M208-V212 PolarHBondContact O-N 3.34Å
209Q81.6Confident73.9Confident30 Ų3080.9 Ų80.914%0.1439%0.391CS..Hα-helixtrans-62.3-49.6175.7-176.761.445.700111.2G177 L205 K206 R211 V212 D213G177-Q209 PolarHBondContact O-OE1 3.22Å; L205-Q209 WeakPolarHBondContact O-CB 3.44Å; L205-Q209 PolarHBondContact O-N 3.45Å; K206-Q209 PolarHBondContact O-N 2.88Å; Q209-R211 PolarHBondContact O-N 3.39Å; Q209-V212 PolarHBondContact O-N 3.23Å; Q209-V212 VanDerWaalsContact O-N 3.07Å; Q209-D213 PolarHBondContact NE2-OD1 3.35Å; Q209-D213 VanDerWaalsContact NE2-OD1 3.16Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.08Å; Q209-D213 PolarHBondContact O-N 3.49Å
210D83.6Confident73.7Confident88 Ų8882.9 Ų82.947%0.47140%0.4SS..Hα-helixtrans-59.7-36.2179-71.1-19.2000111.2K206 D207 K214K206-D210 WeakPolarHBondContact O-CB 3.43Å; K206-D210 PolarHBondContact O-N 3.49Å; D207-D210 PolarHBondContact O-N 3.47Å; D210-K214 VanDerWaalsContact O-CB 3.28Å; D210-K214 WeakPolarHBondContact O-CB 3.35Å; D210-K214 PolarHBondContact O-N 3.27Å
211R82Confident73.3Confident146 Ų14684.5 Ų84.555%0.55140%0.404SS*.Hα-helixtrans-69-41.3174.5-73.2171.463.4-167.7-2.7112.8D207 M208 Q209 K214 M215D207-R211 WeakPolarHBondContact O-CB 3.43Å; D207-R211 WeakPolarHBondContact O-CG 3.44Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 WeakPolarHBondContact OD2-CD 3.3Å; D207-R211 IonicContact OD2-NH1 3.92Å; M208-R211 PolarHBondContact O-N 2.86Å; Q209-R211 PolarHBondContact O-N 3.39Å; R211-K214 PolarHBondContact O-N 2.95Å; R211-M215 WeakPolarHBondContact O-CG 3.17Å; R211-M215 PolarHBondContact O-N 3.39Å
212V78.1Confident72.7Confident16 Ų1686.2 Ų86.210%0.09741%0.412CS..Hα-helixtrans-64.2-43.9174.9169.50000110.6V176 L180 M208 Q209 K214 M215 R216V176-V212 HydrophobicContact CG1-CG2 4.19Å; L180-V212 HydrophobicContact CD1-CB 4.46Å; L180-V212 HydrophobicContact CD1-CG2 3.75Å; M208-V212 WeakPolarHBondContact O-CG2 3.2Å; M208-V212 PolarHBondContact O-N 3.34Å; Q209-V212 PolarHBondContact O-N 3.23Å; Q209-V212 VanDerWaalsContact O-N 3.07Å; V212-K214 VanDerWaalsContact C-N 3.33Å; V212-K214 PolarHBondContact O-N 2.91Å; V212-M215 HydrophobicContact CB-CE 4.49Å; V212-M215 HydrophobicContact CG2-CE 4.03Å; V212-M215 PolarHBondContact O-N 3.19Å; V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 2.94Å
213D79.9Confident71.9Confident59 Ų5987.7 Ų87.732%0.31642%0.421SS..Hα-helixtrans-64.8-38.8177.5-70.1-30.8000111.6Q209 R216 N217Q209-D213 PolarHBondContact NE2-OD1 3.35Å; Q209-D213 VanDerWaalsContact NE2-OD1 3.16Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.08Å; Q209-D213 PolarHBondContact O-N 3.49Å; D213-R216 PolarHBondContact O-N 3.42Å; D213-N217 VanDerWaalsContact O-CG 3.25Å; D213-N217 PolarHBondContact O-N 2.95Å; D213-N217 PolarHBondContact O-ND2 2.89Å
214K82Confident70.6Confident128 Ų12886.9 Ų86.956%0.55742%0.424SS*.Hα-helixtrans-61.5-47.3172.4-176.5176.2171.8-178.90111.8D210 R211 V212 R216 N217 E218D210-K214 VanDerWaalsContact O-CB 3.28Å; D210-K214 WeakPolarHBondContact O-CB 3.35Å; D210-K214 PolarHBondContact O-N 3.27Å; R211-K214 PolarHBondContact O-N 2.95Å; V212-K214 VanDerWaalsContact C-N 3.33Å; V212-K214 PolarHBondContact O-N 2.91Å; K214-R216 VanDerWaalsContact C-N 3.32Å; K214-R216 PolarHBondContact O-N 3.48Å; K214-N217 PolarHBondContact O-N 3.2Å; K214-E218 WeakPolarHBondContact CE-OE1 3.35Å; K214-E218 HydrophobicContact CG-CG 4.49Å; K214-E218 IonicContact NZ-OE1 3.78Å; K214-E218 WeakPolarHBondContact O-CB 3.38Å; K214-E218 WeakPolarHBondContact O-CG 3.41Å; K214-E218 PolarHBondContact O-N 3.01Å
215M72.8Confident69.3Low98 Ų9881.9 Ų81.948%0.48342%0.416SS..Hα-helixtrans-60.7-41.7176.1-72.3-176.1-58.900111.4R211 V212 N217 E218 D219R211-M215 WeakPolarHBondContact O-CG 3.17Å; R211-M215 PolarHBondContact O-N 3.39Å; V212-M215 HydrophobicContact CB-CE 4.49Å; V212-M215 HydrophobicContact CG2-CE 4.03Å; V212-M215 PolarHBondContact O-N 3.19Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.86Å; M215-E218 PolarHBondContact O-N 3.37Å; M215-D219 VanDerWaalsContact O-CB 3.3Å; M215-D219 WeakPolarHBondContact O-CB 3.37Å; M215-D219 VanDerWaalsContact O-CG 3.3Å; M215-D219 PolarHBondContact O-N 3.47Å
216R69.7Low68.1Low107 Ų10786.9 Ų86.940%0.40444%0.438SS..Hα-helixtrans-61.7-37.3177.2-168-176.9-168.4-1657.4113D174 V212 D213 K214 Q220D174-R216 IonicContact OD1-CZ 3.17Å; D174-R216 IonicContact OD1-NE 3.97Å; D174-R216 PolarHBondContact OD1-NE 3Å; D174-R216 IonicContact OD1-NH2 2.82Å; D174-R216 PolarHBondContact OD1-NH2 3.34Å; D174-R216 IonicContact OD2-NH2 3.37Å; D174-R216 PolarHBondContact OD2-NH2 3.4Å; V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 2.94Å; D213-R216 PolarHBondContact O-N 3.42Å; K214-R216 VanDerWaalsContact C-N 3.32Å; K214-R216 PolarHBondContact O-N 3.48Å; R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 2.93Å; R216-Q220 PolarHBondContact O-NE2 3.38Å
217N72.4Confident66.7Low95 Ų9585.4 Ų85.451%0.50844%0.435SS..Hα-helixtrans-76.7-34.3177.6-67.9-34000112D213 K214 M215D213-N217 VanDerWaalsContact O-CG 3.25Å; D213-N217 PolarHBondContact O-N 2.95Å; D213-N217 PolarHBondContact O-ND2 2.89Å; K214-N217 PolarHBondContact O-N 3.2Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.86Å
218E67.7Low65.2Low93 Ų9387.3 Ų87.344%0.43545%0.445SS..Hα-helixtrans-70-40.5173.2-73176.7175.900111.3K214 M215 Q220 L221 T222K214-E218 WeakPolarHBondContact CE-OE1 3.35Å; K214-E218 HydrophobicContact CG-CG 4.49Å; K214-E218 IonicContact NZ-OE1 3.78Å; K214-E218 WeakPolarHBondContact O-CB 3.38Å; K214-E218 WeakPolarHBondContact O-CG 3.41Å; K214-E218 PolarHBondContact O-N 3.01Å; M215-E218 PolarHBondContact O-N 3.37Å; E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.47Å; E218-L221 CarbonylContact O-C 3.52Å; E218-L221 WeakPolarHBondContact O-CA 3.41Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 2.97Å; E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.92Å; E218-T222 VanDerWaalsContact O-OG1 3.06Å
219D56.1Low64Low73 Ų7391.5 Ų91.539%0.3946%0.464SS..Hα-helixtrans-67.8-29.4178.7-77.1-28.7000112.9M215 L221 N223 S224M215-D219 VanDerWaalsContact O-CB 3.3Å; M215-D219 WeakPolarHBondContact O-CB 3.37Å; M215-D219 VanDerWaalsContact O-CG 3.3Å; M215-D219 PolarHBondContact O-N 3.47Å; D219-L221 PolarHBondContact O-N 3.27Å; D219-N223 HydrophobicContact CB-CB 4.4Å; D219-N223 PolarHBondContact O-N 2.93Å; D219-N223 PolarHBondContact OD1-ND2 3.39Å; D219-S224 PolarHBondContact O-N 3.4Å
220Q54.3Low62.8Low128 Ų12894.6 Ų94.660%0.59848%0.481SS*.Hα-helixtrans-66.8-23.8167.6-79.8178.97100112.8R216 E218R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 2.93Å; R216-Q220 PolarHBondContact O-NE2 3.38Å; E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.47Å
221L52.7Low61.4Low151 Ų15196.2 Ų96.279%0.79149%0.49SS*.Hα-helixtrans-94.1-20.9178.5-70.6165.7000113.1E218 D219E218-L221 CarbonylContact O-C 3.52Å; E218-L221 WeakPolarHBondContact O-CA 3.41Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 2.97Å; D219-L221 PolarHBondContact O-N 3.27Å
222T54.3Low59.7Low83 Ų8391.2 Ų91.251%0.50948%0.484SS..Hα-helixtrans-124.5-22.7-173.857.80000116.2E218E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.92Å; E218-T222 VanDerWaalsContact O-OG1 3.06Å
223N50.5Low58.4Low58 Ų5897.3 Ų97.331%0.3151%0.511SS..THydrogen-bonded Turntrans-122.2-14.2-163.5-78-38000116.9D219 G225 Q226 L227D219-N223 HydrophobicContact CB-CB 4.4Å; D219-N223 PolarHBondContact O-N 2.93Å; D219-N223 PolarHBondContact OD1-ND2 3.39Å; N223-G225 VanDerWaalsContact C-N 3.33Å; N223-G225 PolarHBondContact O-N 3.16Å; N223-Q226 PolarHBondContact O-N 3.14Å; N223-L227 PolarHBondContact O-N 3.06Å
224S47.7Very low56.8Low85 Ų85103 Ų10359%0.59454%0.542SS*.Hα-helixtrans-67.8-33.4174.572.80000112.4D219D219-S224 PolarHBondContact O-N 3.4Å
225G48.1Very low55.1Low38 Ų38101.3 Ų101.339%0.39255%0.546SS..Hα-helixtrans-73.7-34.6175.400000114.1N223 Q229N223-G225 VanDerWaalsContact C-N 3.33Å; N223-G225 PolarHBondContact O-N 3.16Å; G225-Q229 WeakPolarHBondContact O-CB 3.35Å; G225-Q229 WeakPolarHBondContact O-CG 3.43Å; G225-Q229 PolarHBondContact O-N 3.46Å
226Q52.7Low53.8Low124 Ų124104.6 Ų104.658%0.57956%0.56SS**Hα-helixtrans-84.6-21.3-172.5-68-167.1-55.100114.1N223 L230N223-Q226 PolarHBondContact O-N 3.14Å; Q226-L230 WeakPolarHBondContact O-CG 3.21Å
227L52Low52.3Low72 Ų72108.1 Ų108.138%0.37758%0.581SS.*Hα-helixtrans-90.7-27.5175.7-76.1172.3000113.3N223 L230N223-L227 PolarHBondContact O-N 3.06Å; L227-L230 HydrophobicContact CD2-CD1 4.24Å; L227-L230 PolarHBondContact O-N 3.2Å
228D52.2Low51Low118 Ų118108.9 Ų108.963%0.63160%0.601SS**Hα-helixtrans-75.9-31.4172-89.6-3.3000112L230 D231 G232D228-L230 PolarHBondContact O-N 3.45Å; D228-D231 PolarHBondContact O-N 3.1Å; D228-D231 VanDerWaalsContact O-N 3.13Å; D228-G232 PolarHBondContact O-N 2.63Å
229Q54.1Low49.7Very low131 Ų131110.6 Ų110.661%0.61261%0.613SS**THydrogen-bonded Turntrans-65.7-14.5170.7-77.7175.620.500113.9G225G225-Q229 WeakPolarHBondContact O-CB 3.35Å; G225-Q229 WeakPolarHBondContact O-CG 3.43Å; G225-Q229 PolarHBondContact O-N 3.46Å
230L55.4Low49Very low96 Ų96111.7 Ų111.750%0.50363%0.626SS.*THydrogen-bonded Turntrans-87.5-14175-70.6176.5000113.3Q226 L227 D228Q226-L230 WeakPolarHBondContact O-CG 3.21Å; L227-L230 HydrophobicContact CD2-CD1 4.24Å; L227-L230 PolarHBondContact O-N 3.2Å; D228-L230 PolarHBondContact O-N 3.45Å
231D53.9Low48.5Very low121 Ų121110.9 Ų110.965%0.64763%0.632SS**THydrogen-bonded Turntrans-113.3-8.1177.6-89.6-35.2000113K168 D228K168-D231 IonicContact NZ-OD2 3.27Å; D228-D231 PolarHBondContact O-N 3.1Å; D228-D231 VanDerWaalsContact O-N 3.13Å
232G46.6Very low47.9Very low42 Ų42112.7 Ų112.743%0.43364%0.637SS.*  trans-141.399.3179.300000113.8D228D228-G232 PolarHBondContact O-N 2.63Å
233E50.3Low47.4Very low144 Ų144120.4 Ų120.467%0.67366%0.656SS**  trans-175.670.9144.5-103169.7173.400109.4
234N47.9Very low47.1Very low179 Ų179122.6 Ų122.696%0.95768%0.676SS**  trans-87.773.8139.4-88.5-13000105.6
235S44.7Very low47Very low92 Ų92130 Ų13064%0.64371%0.71SS**  trans-163.1146.9172.9-140.90000110.4
236E47.6Very low46.9Very low166 Ų166134.7 Ų134.778%0.77673%0.725SS**  trans85.585177.3-62-172.9138.800116.9A238E236-A238 PolarHBondContact O-N 3.06Å
237E37.7Very low46.6Very low181 Ų181135.2 Ų135.285%0.84673%0.733SS**  23.798.1118-70.7178153.600115.9D239E237-D239 PolarHBondContact O-N 3.39Å
238A44.9Very low46.4Very low111 Ų111138.7 Ų138.792%0.91775%0.753SS**  trans-8875.6150.100000108.1E236E236-A238 PolarHBondContact O-N 3.06Å
239D40.7Very low46Very low129 Ų129139.9 Ų139.969%0.6976%0.76SS**  trans-78.2130.6161.4-164.5-5.2000108.8E237E237-D239 PolarHBondContact O-N 3.39Å
240S40.3Very low45.5Very low96 Ų96140.5 Ų140.567%0.67177%0.769SS**  trans76155.4157.8-68.50000119.7
241P45.1Very low44.8Very low112 Ų112143.5 Ų143.573%0.72779%0.787SS**  cis-131.5147.715.436.7-18.1000116.7
242E40.2Very low44.2Very low188 Ų188145.1 Ų145.188%0.87980%0.797SS**  trans-47.7134.5149-74.2-178135.500110.2
243R42.9Very low44Very low245 Ų245153 Ų15393%0.92583%0.825SS**  trans-145.4111.4155.2-120178.4177.7-170.2-1.6111.6
244S43.8Very low43.5Very low105 Ų105153.8 Ų153.873%0.73484%0.838SS**  trans-54.1136.4173.9-38.60000113.8
245D46Very low43.1Very low241 Ų241151.5 Ų151.5100%1.28983%0.827SS**  -169.30115.3-97.4-19000109.7

Retrieved 245 of 245 residues in 384 ms (Link to these results)