A0A096LW73_POEFO Loading...

Transcription factor 12

AlphaFold DB , UniProt , Accession A0A096LW73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 714 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
1M36.3Very low42.5Very low245 Ų245149.5 Ų149.5100%1.20783%0.827SS**  01540-70.6150.573.700108.2
2N46.3Very low42.9Very low130 Ų130146.8 Ų146.870%0.69582%0.818SS**  trans-96.3146.2-175.3-168.6-1.4000110.6Q4N2-Q4 PolarHBondContact OD1-N 3.22Å
3P42.3Very low44Very low121 Ų121145.7 Ų145.779%0.78681%0.81SS**  trans-130.6100.7144.833.5-19000112.9
4Q40.6Very low45Very low134 Ų134145.8 Ų145.863%0.62680%0.797SS**  trans-29.1142.1160.9-73.6147.7-80.600119.5N2N2-Q4 PolarHBondContact OD1-N 3.22Å
5Q46.2Very low45.7Very low159 Ų159146.2 Ų146.274%0.74379%0.792SS**  63103.3129.3-60.4167.8-4500120.4
6R39Very low46.5Very low241 Ų241144 Ų14491%0.90978%0.779SS**  -165.6121.4104.7-122.7174.2-70.3-170.5-1.3113.5
7I39.4Very low47.2Very low174 Ų174139.3 Ų139.389%0.89276%0.759SS**  trans-134.6131.7153.7-62.3-179000106.1
8A43.1Very low47.9Very low95 Ų95138.4 Ų138.479%0.78575%0.753SS**  trans-124.1137.1168.700000107.4
9A49.1Very low48.6Very low96 Ų96138.1 Ų138.179%0.79375%0.75SS**  trans-82.4154.1-176.400000112.2
10L40.5Very low49.3Very low179 Ų179137.6 Ų137.694%0.93775%0.746SS**  trans-171112.9159.7-108.4165000111.6
11G44.2Very low49.7Very low70 Ų70135.7 Ų135.772%0.72274%0.736SS**  trans74.7153164.200000117.6
12T47.8Very low51Low118 Ų118130.1 Ų130.172%0.72471%0.705SS**  cis-145.5130.1-13.141.70000110.8K14T12-K14 PolarHBondContact O-N 2.94Å
13D56.6Low51.6Low132 Ų132128 Ų12871%0.70670%0.701SS**THydrogen-bonded Turntrans-78.242.2-171.2-165.426.2000114.5S17D13-S17 PolarHBondContact O-OG 3.39Å
14K58.3Low52.3Low147 Ų147126.9 Ų126.964%0.63970%0.701SS**THydrogen-bonded Turntrans-110.2-37.3-173.2-164.7174.1-179.9-174.40114T12 L16 S17T12-K14 PolarHBondContact O-N 2.94Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 2.95Å; K14-S17 VanDerWaalsContact O-CB 3.24Å; K14-S17 WeakPolarHBondContact O-CB 3.44Å; K14-S17 PolarHBondContact O-N 3.36Å; K14-S17 PolarHBondContact O-OG 3.43Å
15E55.9Low53.2Low152 Ų152126.8 Ų126.871%0.7170%0.702SS**Hα-helixtrans-70.8-25.9-179.3-63.8172.617200112S17 L19E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 PolarHBondContact O-N 3.19Å; E15-L19 PolarHBondContact O-N 2.74Å
16L57.7Low53.8Low111 Ų111127 Ų12758%0.58170%0.701SS**Hα-helixtrans-71.9-18.4171.2-60.8179.3000113.4K14 L20K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 2.95Å; L16-L20 WeakPolarHBondContact O-CD1 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å
17S58.3Low54.6Low64 Ų64121.1 Ų121.145%0.44870%0.697SS.*Hα-helixtrans-74.5-50.4176.8-54.30000110.6D13 K14 E15 L19 L20 D21D13-S17 PolarHBondContact O-OG 3.39Å; K14-S17 VanDerWaalsContact O-CB 3.24Å; K14-S17 WeakPolarHBondContact O-CB 3.44Å; K14-S17 PolarHBondContact O-N 3.36Å; K14-S17 PolarHBondContact O-OG 3.43Å; E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 PolarHBondContact O-N 3.19Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.77Å; S17-L20 PolarHBondContact O-N 2.9Å; S17-D21 PolarHBondContact O-N 3.15Å
18D60.2Low55.3Low123 Ų123117.8 Ų117.866%0.65869%0.686SS**Hα-helixtrans-68.5-29.7-176.5-63.1-13.4000111.6L20 D21D18-L20 PolarHBondContact O-N 3.09Å; D18-D21 PolarHBondContact O-N 2.97Å
19L61.1Low55.4Low132 Ų132119.4 Ų119.469%0.69169%0.689SS**THydrogen-bonded Turntrans-67.2-10.2171.5-83.4167.6000114.7E15 S17E15-L19 PolarHBondContact O-N 2.74Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.77Å
20L63.2Low55.5Low129 Ų129121.8 Ų121.868%0.67569%0.693SS**THydrogen-bonded Turntrans-114.4-2.7179.9-66.2175000113.5L16 S17 D18 F22L16-L20 WeakPolarHBondContact O-CD1 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; S17-L20 PolarHBondContact O-N 2.9Å; D18-L20 PolarHBondContact O-N 3.09Å; L20-F22 WeakPolarHBondContact O-CD2 3.39Å; L20-F22 PolarHBondContact O-N 2.97Å
21D58.7Low55.5Low98 Ų98117 Ų11752%0.52469%0.687SS.*  trans-86.387.6178.1-170.314.4000112.9S17 D18 S23S17-D21 PolarHBondContact O-N 3.15Å; D18-D21 PolarHBondContact O-N 2.97Å; D21-S23 PolarHBondContact O-N 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 3.45Å
22F62.6Low55.1Low127 Ų127117.4 Ų117.456%0.55769%0.692SS**G310 helixtrans-72.8-1.5174.5-70.1-89.2000114.2L20 A24 M25L20-F22 WeakPolarHBondContact O-CD2 3.39Å; L20-F22 PolarHBondContact O-N 2.97Å; F22-A24 PolarHBondContact O-N 3.38Å; F22-A24 VanDerWaalsContact O-N 3.15Å; F22-M25 HydrophobicContact CD1-CE 3.55Å; F22-M25 HydrophobicContact CE1-CE 3.92Å; F22-M25 PolarHBondContact O-N 3.11Å; F22-M25 VanDerWaalsContact O-N 3.08Å
23S58Low54.7Low87 Ų87115 Ų11561%0.60869%0.69SS**G310 helixtrans-62.5-24.6-173.6-53.50000113.9D21 M25D21-S23 PolarHBondContact O-N 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 3.45Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 3.07Å
24A57.5Low53.8Low96 Ų96118.8 Ų118.879%0.79370%0.701SS**G310 helixtrans-73.2-19.8177.100000114.1F22F22-A24 PolarHBondContact O-N 3.38Å; F22-A24 VanDerWaalsContact O-N 3.15Å
25M59.5Low53.1Low132 Ų132119.3 Ų119.365%0.6571%0.71SS**THydrogen-bonded Turntrans-95.9-14.1-177.3-67.7-159.7-67.800114.4F22 S23F22-M25 HydrophobicContact CD1-CE 3.55Å; F22-M25 HydrophobicContact CE1-CE 3.92Å; F22-M25 PolarHBondContact O-N 3.11Å; F22-M25 VanDerWaalsContact O-N 3.08Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 3.07Å
26F59.5Low52.1Low164 Ų164123.6 Ų123.672%0.71972%0.72SS**  trans-136.492.3-179.1-68.8-80.1000112P28F26-P28 VanDerWaalsContact O-CD 3.31Å; F26-P28 WeakPolarHBondContact O-CD 3.43Å
27S55.4Low51.7Low118 Ų118123 Ų12383%0.82572%0.723SS**PPolyproline II helixtrans-58.2117.7169.8-600000110.9
28P54.3Low50.4Low103 Ų103126 Ų12667%0.66974%0.739SS**PPolyproline II helixtrans-68.8149.8175.928.8-34.4000110.8F26 V30F26-P28 VanDerWaalsContact O-CD 3.31Å; F26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-V30 PolarHBondContact O-N 3.14Å
29P46.2Very low49Very low129 Ų129125.5 Ų125.584%0.83874%0.74SS**PPolyproline II helixtrans-63.1127.2178.525.9-33.8000110.8G31P29-G31 PolarHBondContact O-N 3.48Å
30V50.1Low47.6Very low146 Ų146127.3 Ų127.389%0.88575%0.749SS**  trans-74.683.9-171-169.40000111.3P28 G32P28-V30 PolarHBondContact O-N 3.14Å; V30-G32 PolarHBondContact O-N 3.34Å
31G41.7Very low46Very low79 Ų79125 Ų12581%0.81476%0.756SS**  trans-71.650.9179.800000115.2P29 G33P29-G31 PolarHBondContact O-N 3.48Å; G31-G33 PolarHBondContact O-N 2.96Å
32G34.8Very low44.6Very low79 Ų79126 Ų12681%0.81477%0.771SS**  trans-74.243.9-175.700000115.9V30V30-G32 PolarHBondContact O-N 3.34Å
33G40.3Very low43Very low67 Ų67123.8 Ų123.869%0.69177%0.772SS**  trans-109.695-172.600000114.9G31G31-G33 PolarHBondContact O-N 2.96Å
34K37.7Very low41.7Very low212 Ų212127.1 Ų127.192%0.92278%0.777SS**  trans-137.3104161-75.3-168.3178.7174.80112.6
35N42.6Very low40.4Very low157 Ų157131 Ų13184%0.8478%0.777SS**  trans-90.1137172.150.6-17.3000111.7
36R35.4Very low39Very low243 Ų243129.5 Ų129.592%0.91778%0.78SS**  trans-149.3154.3148.3-113.8-141.6163.7-162.2-3.9111.7
37P48Very low37.8Very low98 Ų98126.2 Ų126.264%0.63678%0.783SS**  trans-108.7-162.5-164.243.5-37.4000113.2
38T32.3Very low36.8Very low128 Ų128126.5 Ų126.579%0.78579%0.785SS**  trans70.6140.2168.542.60000116.8
39T29.9Very low35.8Very low111 Ų111124.8 Ų124.868%0.68179%0.786SS**  cis-166.9160.6-13.8-161.40000111.7
40L31.7Very low35.3Very low170 Ų170126.9 Ų126.989%0.8979%0.787SS**  trans57.7169.9166-61.1172.2000117.4
41G29.9Very low34.6Very low80 Ų80127.1 Ų127.183%0.82578%0.783SS**  trans133.888.2162.100000115.5
42S29.2Very low34.2Very low119 Ų119129.8 Ų129.883%0.83277%0.774SS**  trans-77.6155.7171.9-168.60000112.5
43S28.5Very low34.3Very low81 Ų81136 Ų13657%0.56677%0.773SS**  trans68.4105.4140.41790000121.7
44Q31.3Very low33.7Very low157 Ų157138.2 Ų138.273%0.73477%0.773SS**  trans67.8159.8130.4-57.6-172.4-82.300122.1
45F29.8Very low33.3Very low177 Ų177134.1 Ų134.178%0.77676%0.761SS**  trans74.5145.7169-59.8-85.3000118.2
46S30.8Very low32.6Very low102 Ų102135 Ų13571%0.71376%0.76SS**  cis167.3164.2-39.7-97.30000109.5
47A34.5Very low32.3Very low95 Ų95127 Ų12779%0.78575%0.746SS**  trans71.6150.3166.800000116.4
48S34.6Very low31.3Very low124 Ų124127.9 Ų127.987%0.86776%0.755SS**  cis-166.3169.8-19.548.20000107.4
49G32.6Very low31.1Very low67 Ų67132.7 Ų132.769%0.69176%0.759SS**  cis-155.9-158.3-5.900000107.6
50M34.6Very low31.4Very low173 Ų173131.5 Ų131.585%0.85276%0.76SS**  cis-142.8142.97.2-70151.45800109.5
51D36.6Very low31.5Very low150 Ų150129.6 Ų129.680%0.80276%0.758SS**  trans20.4152.2134.6-48.7-83.7000120.7
52E33Very low31.5Very low136 Ų136129.7 Ų129.764%0.63676%0.759SS**  cis-160.812934.5-167.6163.9-165.800115.3
53R36.6Very low31.5Very low209 Ų209127 Ų12779%0.78975%0.75SS**  trans51.3155154.2-57173.9-146.1-109.8-0.6119.8
54T29Very low31.5Very low113 Ų113132.7 Ų132.769%0.69377%0.768SS**  cis-164.8139.840.8-49.40000112.9
55N27.6Very low31.5Very low126 Ų126130.8 Ų130.867%0.67477%0.771SS**  trans51.4119.6157-68.9-13.4000121.5
56Q28.4Very low31.6Very low175 Ų175127.5 Ų127.582%0.81877%0.771SS**  76.2155.894-68.1-171.413.500116.5
57A28.4Very low32.1Very low76 Ų76128.4 Ų128.463%0.62877%0.774SS**  cis-174.3134.7-33.600000111.4
58S27.4Very low31.8Very low116 Ų116128.8 Ų128.881%0.81177%0.771SS**  trans65.8-176.4157.3-152.30000118.5
59W29.3Very low31.6Very low230 Ų230132.4 Ų132.487%0.87177%0.767SS**  trans78.6109.1174.6-54.797.8000118.5
60A34.8Very low31.3Very low86 Ų86134.9 Ų134.971%0.71176%0.76SS**  trans-84.2156136.700000107.7
61P35.4Very low31.4Very low129 Ų129132 Ų13284%0.83876%0.757SS**  -128.3-175.461.236-20.5000113.3
62G30.1Very low31.4Very low83 Ų83128.5 Ų128.586%0.85675%0.745SS**  trans-116.9177.3-178.900000114.2
63G28.8Very low31.4Very low62 Ų62133.8 Ų133.864%0.63976%0.759SS**  trans165.9140.217300000111.4
64E28.7Very low31Very low201 Ų201127 Ų12794%0.93975%0.753SS**  trans66.7142.2159.4-62160.4-120.900117
65S29.7Very low31.1Very low116 Ų116131.6 Ų131.681%0.81176%0.764SS**  cis-151.1163.85.746.80000112.8
66S33.1Very low31.4Very low109 Ų109129.6 Ų129.676%0.76277%0.765SS**  trans-91.5171.6173.7-45.60000111.9
67P40.6Very low31.2Very low121 Ų121129.3 Ų129.379%0.78677%0.769SS**  -126165.480.4518.7000113.6
68S28.2Very low31.2Very low102 Ų102130.2 Ų130.271%0.71377%0.771SS**  cis76.2151.940.6-127.50000113.3
69Y30.4Very low32Very low200 Ų200130.7 Ų130.778%0.78477%0.771SS**  cis-165.51479.2-167.8-119.9000107.4
70E27.5Very low32.2Very low119 Ų119127.8 Ų127.856%0.55677%0.767SS**  cis-152.5-157.3-13.6-154.8-135-112.800107.7S72E70-S72 VanDerWaalsContact OE2-CB 3.23Å; E70-S72 WeakPolarHBondContact OE2-CB 3.42Å; E70-S72 PolarHBondContact OE2-N 2.96Å; E70-S72 PolarHBondContact OE2-OG 2.97Å
71S36.1Very low31.9Very low113 Ų113134.8 Ų134.879%0.7978%0.777SS**  trans-158.9111.8161-175.70000111.2
72S35.7Very low31.8Very low77 Ų77132 Ų13254%0.53877%0.772SS.*  trans-156.1133.2-179.6-82.60000113.7E70E70-S72 VanDerWaalsContact OE2-CB 3.23Å; E70-S72 WeakPolarHBondContact OE2-CB 3.42Å; E70-S72 PolarHBondContact OE2-N 2.96Å; E70-S72 PolarHBondContact OE2-OG 2.97Å
73R33.4Very low31.6Very low247 Ų247135.4 Ų135.493%0.93277%0.77SS**  trans45.8141.8138.5-49.7170.9-168-112.7-0.5119.5
74G29.4Very low32.1Very low65 Ų65140.2 Ų140.267%0.6778%0.776SS**  cis143.2158.70.500000112.5
75F30.3Very low32.4Very low211 Ų211138.8 Ų138.893%0.92577%0.771SS**  trans78.9134172.8-73.9-89.1000121.2
76A33Very low32.5Very low83 Ų83137.9 Ų137.969%0.68677%0.765SS**  trans41.8133.414400000120.5
77D25.9Very low32.4Very low169 Ų169139.6 Ų139.690%0.90477%0.766SS**  -158.4-175.159.8-106.9-33.8000113.7
78S28.3Very low31.8Very low95 Ų95138.8 Ų138.866%0.66476%0.763SS**  trans-123.8152.7177.4176.10000112.8
79P42.8Very low32Very low126 Ų126145 Ų14582%0.81877%0.771SS**  -138-172.9123.937.1-24000114.9
80H34.5Very low32.2Very low169 Ų169142.4 Ų142.478%0.78277%0.769SS**  trans-86.6177.1-167-86.60.4000117.3
81Y28.3Very low33.1Very low233 Ų233143.1 Ų143.191%0.91478%0.781SS**  trans77.5125.5178.4-66.8-92.5000115.1
82G32.3Very low33Very low72 Ų72142 Ų14274%0.74277%0.773SS**  cis121.3111.4-14.500000114.9
83D26Very low33Very low153 Ų153145.4 Ų145.482%0.81878%0.781SS**  trans-158.7162.4159.3-146.3-18.7000111.5
84H40.7Very low33.1Very low163 Ų163141.3 Ų141.376%0.75577%0.772SS**  trans-101129.2176.5-91.1-122000111.5
85M34.4Very low33.2Very low171 Ų171145.6 Ų145.684%0.84278%0.775SS**  trans-148.7121.8148-64.5-61.8156.200106.9
86S32.4Very low33.4Very low97 Ų97142.8 Ų142.868%0.67877%0.769SS**  cis93.213139.3-61.30000113.5
87D29.8Very low33.1Very low146 Ų146144 Ų14478%0.78177%0.772SS**  trans59.5126.3-178.3-69.2-26.4000118.2
88S29.6Very low34.3Very low103 Ų103141.6 Ų141.672%0.7277%0.766SS**  cis79.7102.924.2-159.10000116.3
89R31.4Very low34.9Very low234 Ų234143.1 Ų143.188%0.88377%0.771SS**  trans-156.2144.4155.5-65.2-167.2-1761792.6109.5
90L34.9Very low35.2Very low144 Ų144142.6 Ų142.675%0.75477%0.768SS**  cis-157.6152.8-19.2-115.9177.1000107.8
91V46.4Very low35Very low134 Ų134143.3 Ų143.381%0.81277%0.769SS**  trans-117.6151167.6170.70000109.2
92S33.1Very low35.2Very low89 Ų89139.5 Ų139.562%0.62276%0.761SS**  trans-162.4134.4-179.2-71.90000109.5
93H36.5Very low35Very low149 Ų149141.7 Ų141.769%0.6976%0.756SS**  cis-156.5144.6-9.2-113.6-83.6000108.4
94E35.1Very low35.5Very low161 Ų161136.4 Ų136.475%0.75273%0.731SS**  trans42.1168.3142.1-82.4169.5130.700122.8
95E32.6Very low35Very low155 Ų155135.7 Ų135.772%0.72473%0.733SS**  cis-149.6155.916.9-142.5-174.9167.200108.5
96L32.9Very low35.8Very low153 Ų153134.2 Ų134.280%0.80173%0.727SS**  -175.9168.777-79.6173.3000111.4
97S28Very low36Very low109 Ų109137 Ų13776%0.76273%0.732SS**  trans-127-166.5178.470.50000111.5
98P49.8Very low36.1Very low118 Ų118132.7 Ų132.777%0.76672%0.722SS**  cis-132.5-154.2-6.540.2-19.4000114
99T42.3Very low36.2Very low127 Ų127137.2 Ų137.278%0.77973%0.729SS**  trans-117169.2178.967.10000113.2
100P49.3Very low36.3Very low114 Ų114131.8 Ų131.874%0.7472%0.722SS**  -154.1147.3107.638.4-20.2000119
101F29.5Very low36.1Very low184 Ų184131.9 Ų131.981%0.80772%0.719SS**  trans43.6140.6139.4-80.2-78.7000126.9
102M31.6Very low35.4Very low153 Ų153135 Ų13575%0.75472%0.716SS**  trans94119.1137.8-83.1-180-157.700123.8
103N29.5Very low35.2Very low119 Ų119135.1 Ų135.164%0.63672%0.722SS**  92.9171.6129.8-78.1-25.1000122.3
104S35.3Very low34.8Very low41 Ų41133.6 Ų133.629%0.28773%0.728SS.*BIsolated β-bridgetrans-169.3130.4-134.8-72.30000110.4P359S104-P359 WeakPolarHBondContact OG-CB 2.83Å
105N30.6Very low34.5Very low148 Ų148135.5 Ų135.579%0.79173%0.734SS**  trans173.6165.5135-99.3-47.1000115.4
106I51Low34.4Very low140 Ų140136.7 Ų136.772%0.71875%0.745SS**  trans-107.3140.4-178.9-76.8167.3000112.1P359I106-P359 HydrophobicContact CG1-CG 4.23Å
107I36.1Very low34.1Very low156 Ų156132.6 Ų132.680%0.874%0.74SS**  trans-161.9148.5157.5-161.469.4000109.3
108G33.1Very low34.2Very low55 Ų55139.3 Ų139.357%0.56775%0.75SS**  cis146.3143.7-1600000114.1
109K32Very low33.1Very low198 Ų198137.6 Ų137.686%0.86175%0.753SS**  trans77.2152.2178.2-55.7176.3-178.8175.70116.6
110T32.8Very low32.6Very low121 Ų121143.3 Ų143.374%0.74276%0.761SS**  cis-171.6164.5-22.8-87.40000108.4
111E30.2Very low31.8Very low145 Ų145144.5 Ų144.568%0.67876%0.761SS**  trans99.3141.1170.5-57.8-136.7110.400117.9
112R32Very low32.3Very low200 Ų200141.8 Ų141.876%0.75576%0.762SS**  cis-165.8117.3-20.3175.6-166.5-70.4-155.53.7111.8
113A29.3Very low32.1Very low92 Ų92137.7 Ų137.776%0.7676%0.759SS**  trans57.1165.8155.100000119.1
114S28.1Very low32.2Very low116 Ų116136.8 Ų136.881%0.81177%0.768SS**  cis-139.8165.97-91.10000112.4
115F29.6Very low31.9Very low201 Ų201140.7 Ų140.788%0.88280%0.795SS**  trans-93.8157.9-178.7-74-107.1000114.5
116L28.8Very low31.9Very low181 Ų181137.3 Ų137.395%0.94880%0.796SS**  -180161.3119.3-114.574.7000109
117G28.1Very low30.8Very low67 Ų67135.8 Ų135.869%0.69180%0.796SS**  cis178.4152.6-3.600000111.4
118Y29.7Very low30.5Very low250 Ų250137.2 Ų137.298%0.9880%0.799SS**  trans-61.5156.4-173.9-69-98.8000116.4
119G27.2Very low30.3Very low81 Ų81138.4 Ų138.484%0.83580%0.803SS**  trans-154.6138.1164.900000112.7
120R30.6Very low30.2Very low247 Ų247134.1 Ų134.193%0.93280%0.798SS**  trans-97.7158.7-172.3-59.3167.7155.6-120.34.5113.9
121D33.5Very low30.3Very low140 Ų140136.4 Ų136.475%0.74981%0.805SS**  trans-53.5150.9145.9-114.4-63.5000111.6
122P39.4Very low30.4Very low126 Ų126137.8 Ų137.882%0.81880%0.804SS**  -155.3152.168.439.4-18.6000119.8
123G27.5Very low31.2Very low68 Ų68133.3 Ų133.370%0.70180%0.801SS**  trans84.3175.8139.100000118.9
124A32.3Very low31.1Very low99 Ų99134 Ų13482%0.81879%0.792SS**  cis-172.3150.8-20.100000110.4
125S28.4Very low31.2Very low124 Ų124132.4 Ų132.487%0.86779%0.786SS**  trans68.8149.8167.6-157.70000118.2
126G30.2Very low31Very low77 Ų77126.9 Ų126.979%0.79478%0.777SS**  trans159.370.8-178.900000113.5
127C28.7Very low31.2Very low108 Ų108126.1 Ų126.173%0.7377%0.773SS**  trans-103.1151.3-167.2-58.70000114.3
128Q29.3Very low31.4Very low186 Ų186129.1 Ų129.187%0.86978%0.779SS**  trans67.9160.2159.1-61.6-67.6-8.700116
129A28.7Very low31.4Very low79 Ų79122.8 Ų122.865%0.65377%0.771SS**  cis-153.9164.5-7.400000111.7
130S29.4Very low32.3Very low108 Ų108125.3 Ų125.376%0.75577%0.772SS**  trans8.6139.5146.4-166.10000120.9
131L34.9Very low32.2Very low170 Ų170118.8 Ų118.889%0.8977%0.765SS**  -163.9152.6120-105.4169.6000112.6
132R33.7Very low32.1Very low173 Ų173117.3 Ų117.365%0.65377%0.766SS**  trans-134.3147.7171.9-162-137171.2-157.5-12.6109.2D134R132-D134 VanDerWaalsContact CZ-CG 3.44Å; R132-D134 IonicContact CZ-OD1 3.13Å; R132-D134 IonicContact CZ-OD2 3.51Å; R132-D134 IonicContact NH1-OD1 2.77Å; R132-D134 PolarHBondContact NH1-OD1 2.81Å; R132-D134 IonicContact NH1-OD2 2.74Å; R132-D134 PolarHBondContact NH1-OD2 3.15Å; R132-D134 IonicContact NH2-OD1 2.86Å; R132-D134 PolarHBondContact NH2-OD1 3.1Å
133P47.2Very low32Very low106 Ų106117.6 Ų117.669%0.68877%0.765SS**  -135.2170.1121.639.9-28.2000110.3
134D28.4Very low32.4Very low106 Ų106120.4 Ų120.457%0.56777%0.768SS**  cis67.3133.640.1-70.9-38.2000114.2R132R132-D134 VanDerWaalsContact CZ-CG 3.44Å; R132-D134 IonicContact CZ-OD1 3.13Å; R132-D134 IonicContact CZ-OD2 3.51Å; R132-D134 IonicContact NH1-OD1 2.77Å; R132-D134 PolarHBondContact NH1-OD1 2.81Å; R132-D134 IonicContact NH1-OD2 2.74Å; R132-D134 PolarHBondContact NH1-OD2 3.15Å; R132-D134 IonicContact NH2-OD1 2.86Å; R132-D134 PolarHBondContact NH2-OD1 3.1Å
135A29.7Very low32.4Very low83 Ų83121.7 Ų121.769%0.68677%0.766SS**  cis-162.7159.6-12.600000112.9
136A25.9Very low32.5Very low85 Ų85121.1 Ų121.170%0.70276%0.762SS**  trans69.7157.3145.400000122.7
137L32.9Very low32.7Very low165 Ų165120.4 Ų120.486%0.86476%0.755SS**  trans70.3135.8167.7-42.9-177.4000115.2
138T31.9Very low33Very low131 Ų131124.8 Ų124.880%0.80476%0.762SS**  cis-146.1169.221.1490000113
139S30.6Very low33.1Very low117 Ų117121.1 Ų121.182%0.81876%0.756SS**  trans-119155.9161.2-56.10000110.4
140P45.5Very low33Very low133 Ų133123.8 Ų123.886%0.86477%0.765SS**  -138.7-178.9124.537.1-24.6000114.1
141S28.8Very low33.1Very low111 Ų111122.7 Ų122.778%0.77676%0.763SS**  trans-139.6167.7-163590000114.7
142S31.3Very low34Very low109 Ų109119.5 Ų119.576%0.76275%0.752SS**  trans-162.5123.7157.1-76.40000109.7
143V37.6Very low33.8Very low132 Ų132119 Ų11980%0.876%0.755SS**  67.1137.968-56.70000115.6
144T36.1Very low33Very low126 Ų126123.4 Ų123.477%0.77376%0.759SS**  cis-135.7-159.43.7-19.40000110.2
145T32.1Very low32.9Very low127 Ų127122.5 Ų122.578%0.77976%0.761SS**  cis-131.7-1741557.80000110.3
146S30.6Very low32.9Very low112 Ų112126.9 Ų126.978%0.78377%0.765SS**  cis84127.711.5-151.10000119.2
147G32.9Very low33.2Very low62 Ų62128.8 Ų128.864%0.63976%0.763SS**  cis159.2157.3-12.900000118.2
148K35.3Very low33.2Very low200 Ų200125 Ų12587%0.8776%0.755SS**  trans70.4121.9156.5-63177.2-178.4176.70119.6
149S30.7Very low33.1Very low108 Ų108123.3 Ų123.376%0.75576%0.755SS**  85.7151.382.987.50000114.2
150T28.4Very low33Very low135 Ų135124.3 Ų124.383%0.82875%0.751SS**  cis-156.2172.431.9-51.90000111.9
151A29.9Very low33Very low86 Ų86122.6 Ų122.671%0.71174%0.74SS**  trans-96.9-166.6179.300000113.4
152P54.7Low33.1Very low102 Ų102127.6 Ų127.666%0.66274%0.742SS**  cis-152.7-177.343.437.3-11.3000120.7
153F30.2Very low33Very low164 Ų164134.3 Ų134.372%0.71975%0.751SS**  trans108.5117.5151.9-69.9-55.2000122.7
154Y30.4Very low32.7Very low198 Ų198139 Ų13978%0.77675%0.754SS**  trans33.7134.7153.7-59.3-53.9000120.7
155S25.8Very low32.2Very low87 Ų87138.9 Ų138.961%0.60876%0.758SS**  cis-166.1-177.36.2-99.40000107.2
156F30.3Very low32.2Very low174 Ų174140 Ų14076%0.76376%0.758SS**  cis-167.7-176.72-118.4-163.3000104.3
157N31.2Very low32.1Very low125 Ų125142.4 Ų142.467%0.66876%0.757SS**  cis-171.6164.8-33.1-103.49.1000105.3
158A32.3Very low31.7Very low85 Ų85146.3 Ų146.370%0.70276%0.764SS**  cis-170.8151-1600000106.9
159A30Very low31.3Very low97 Ų97141 Ų14180%0.80276%0.758SS**  cis-160.8173-12.400000111.5
160N29.7Very low32.1Very low138 Ų138141.5 Ų141.574%0.73876%0.758SS**  trans-79.2-165.1159.4-125.4-75.2000108.6
161P44Very low33Very low96 Ų96140.1 Ų140.162%0.62375%0.752SS**  cis-140.6172.9-10.832.9-10000118.3
162R31.3Very low33.1Very low217 Ų217144.4 Ų144.482%0.81976%0.76SS**  trans7.6136.8145.3-42175-153.2107.7-1120.9
163R28.9Very low32Very low250 Ų250146.6 Ų146.694%0.94377%0.767SS**  -156.1-169.8116.6-117.6179.7-172.6-89.30.8113.1
164R31.7Very low33Very low230 Ų230143.2 Ų143.287%0.86876%0.761SS**  trans-151.6137.8-153.8175.7-151.3-72.3-171.4-4111.6
165S25.4Very low33.1Very low124 Ų124140.6 Ų140.687%0.86776%0.76SS**  trans158.3-179.4136.365.60000114
166L31.5Very low33.4Very low149 Ų149144 Ų14478%0.7877%0.766SS**  trans-115146.6-164.1171.784.3000111.2
167Q29.5Very low33.6Very low163 Ų163141.8 Ų141.876%0.76277%0.767SS**  trans-169.2142148.9-142.465.46600113.7
168D24Very low33.9Very low144 Ų144145 Ų14577%0.7778%0.775SS**  trans10.1172.7161.6-68.1-80.9000127.6
169A27.5Very low34.2Very low90 Ų90151.2 Ų151.274%0.74479%0.786SS**  trans-107-157.1-170.100000112.3
170P46.9Very low34.5Very low117 Ų117152.8 Ų152.876%0.7679%0.785SS**  cis-132.9-128.8-3.935.1-9.5000113.1
171P47.5Very low35Very low107 Ų107157.7 Ų157.770%0.69579%0.794SS**  -109.6-178.2-82.937.1-21.6000114.3
172I33.3Very low34.7Very low175 Ų175162.5 Ų162.590%0.89781%0.805SS**  trans-179.5158.6137.6-96.9157.6000112
173D30.1Very low35.1Very low148 Ų148158.1 Ų158.179%0.79180%0.802SS**  trans-102.1-158-169.9-147.216.1000112.3
174P50.9Low35.5Very low94 Ų94151.7 Ų151.761%0.6179%0.793SS**  trans-124.4-155.2-136.436.7-12.4000115
175L33.9Very low35.7Very low143 Ų143147.2 Ų147.275%0.74979%0.793SS**  trans93.9157.5165.1-52.5170.9000118.8
176Q32.4Very low36.3Very low159 Ų159144.8 Ų144.874%0.74379%0.788SS**  trans71.2142.8168.2-41.4-54.17.700117.6
177T34Very low36.6Very low126 Ų126145.6 Ų145.677%0.77379%0.792SS**  cis-154.5164.7-17.520.60000110.9
178K37.9Very low36.8Very low194 Ų194144.1 Ų144.184%0.84380%0.797SS**  trans-64.8142.4176.2-58.7175.4-179.3177.10113.1
179K37.3Very low37.2Very low215 Ų215142.7 Ų142.794%0.93580%0.798SS**  trans-137.9142.5141-80.3-165.4176.41750111.2
180V37.3Very low37.5Very low129 Ų129143.6 Ų143.678%0.78280%0.799SS**  trans-111.8143.4-175.1171.20000109.9
181R38.8Very low37Very low242 Ų242144.4 Ų144.491%0.91380%0.801SS**  trans-143.6139147.6-144.5169.5-173.697.70.7110.9
182K39.2Very low36.1Very low196 Ų196149.8 Ų149.885%0.85281%0.809SS**  trans-94.5144-175.5-179.4124.367.6171.20110.3
183V39.8Very low35.9Very low125 Ų125145 Ų14576%0.75880%0.796SS**  trans-133.6144.8177.2-175.10000106.6
184P36.8Very low35.9Very low116 Ų116144 Ų14475%0.75380%0.798SS**  trans-75.9166-159.627.9-36.3000115.9
185P35.3Very low34.8Very low135 Ų135145.1 Ų145.188%0.87781%0.807SS**  trans-82.8154.4-172.334.1-36.6000113.9
186G39Very low35.2Very low74 Ų74143.6 Ų143.676%0.76381%0.806SS**  trans12160.6161.100000116.8
187L37.4Very low35.1Very low166 Ų166143.4 Ų143.487%0.86981%0.811SS**  trans-171.3127.9154.1-103.8154.1000108.7
188P34.4Very low35.1Very low131 Ų131142.5 Ų142.585%0.85181%0.809SS**  trans-81.8127.4-178.431-32.9000111.6
189S31.3Very low35Very low115 Ų115141 Ų14180%0.80481%0.805SS**  trans-132.8142.8170.6690000112.2
190S34.5Very low34.8Very low109 Ų109137.6 Ų137.676%0.76280%0.797SS**  trans48.8114.8167.7-151.90000119.8Y192S190-Y192 PolarHBondContact O-N 3.36Å
191V36.4Very low34.6Very low133 Ų133139.7 Ų139.781%0.80680%0.796SS**  -7.4112.8123.6-179.20000114.7
192Y28Very low34.3Very low220 Ų220134.2 Ų134.286%0.86379%0.785SS**  trans-157.8161.4131.4-153.6-103.7000110.5S190S190-Y192 PolarHBondContact O-N 3.36Å
193A30.2Very low34.1Very low74 Ų74134.9 Ų134.961%0.61278%0.782SS**PPolyproline II helixtrans-87.1151.3-171.800000114
194P29.5Very low33.6Very low128 Ų128134.2 Ų134.283%0.83177%0.774SS**PPolyproline II helixtrans-80.2146166.833.4-33.2000111.8
195S27.7Very low33.4Very low117 Ų117134.4 Ų134.482%0.81878%0.778SS**PPolyproline II helixtrans-103.3158.7165.3-1200000109.9
196P42.8Very low33.5Very low112 Ų112133.5 Ų133.573%0.72777%0.772SS**PPolyproline II helixtrans-87.3142.8-16433.6-35.7000114.4
197N29.2Very low33Very low155 Ų155135.6 Ų135.683%0.82978%0.776SS**  trans-174.7167.5131.9-112.88.6000113.8
198S33.5Very low32.8Very low106 Ų106138.8 Ų138.874%0.74178%0.778SS**  trans72.2132.9173.2560000118.2
199E36.7Very low32.6Very low163 Ų163138 Ų13876%0.76278%0.775SS**  trans-86153.2-171.4-61.876.5-174.300113.2
200D32.7Very low32.6Very low143 Ų143138.8 Ų138.877%0.76578%0.776SS**  -175151.4107.8-111.6-37000115.5
201F32.4Very low32.6Very low174 Ų174139.1 Ų139.176%0.76378%0.775SS**  trans40.895.6164.3-74.3-87.2000123.5
202N32.8Very low32.5Very low127 Ų127142.4 Ų142.468%0.67978%0.778SS**  63.4102.4107.9-167.919.8000121.4
203R36.2Very low32.8Very low209 Ų209137.9 Ų137.979%0.78978%0.776SS**  -175.2134.7105.6-96.6-168114.3143.78.6115.9
204D29.6Very low32.9Very low112 Ų112140.3 Ų140.360%0.59979%0.789SS**  trans46.282.8141.9-55-33000121.9
205S31.2Very low32.9Very low120 Ų120139.6 Ų139.684%0.83979%0.786SS**  170.6149.4120.5-76.40000113.5
206P37.2Very low33.1Very low115 Ų115138.6 Ų138.675%0.74778%0.78SS**  trans-96.7132.7-167.935.4-33.8000115.8
207S29.2Very low32.7Very low119 Ų119141 Ų14183%0.83278%0.783SS**  trans-114114.8166.3-66.60000110.7
208Y33.5Very low32.9Very low232 Ų232142.6 Ų142.691%0.9178%0.783SS**  trans-81124.9175.6-97-86.6000111.6
209S29.3Very low32.7Very low114 Ų114142 Ų14280%0.79779%0.785SS**  trans-107.7126.2170.3-68.90000110.6
210T31Very low32.2Very low133 Ų133139.3 Ų139.382%0.81678%0.784SS**PPolyproline II helixtrans-84.4133.9-176.7-40.20000112
211P35.7Very low32.2Very low115 Ų115137.8 Ų137.875%0.74778%0.78SS**PPolyproline II helixtrans-74.6143.7177.930-35000112.8
212K34.5Very low32.2Very low203 Ų203138.3 Ų138.388%0.88378%0.782SS**PPolyproline II helixtrans-85134.3170.3-64.8177.6179.8177.20110.4
213P33.8Very low32.2Very low125 Ų125141 Ų14181%0.81279%0.788SS**PPolyproline II helixtrans-74.8151.7167.831.6-33.6000111.5
214S31.6Very low32Very low125 Ų125138.4 Ų138.487%0.87479%0.79SS**PPolyproline II helixtrans-85.1161.5171.8-164.80000111.5
215S29.9Very low32.1Very low112 Ų112135.5 Ų135.578%0.78379%0.787SS**PPolyproline II helixtrans-85.5131.2-173.9-166.20000113.8
216S31.6Very low32.2Very low97 Ų97136.6 Ų136.668%0.67879%0.788SS**  trans19.4131.5145.9-169.40000120.7
217M34.1Very low32.1Very low161 Ų161140.5 Ų140.579%0.79380%0.796SS**  trans-142.9140.8136.4-79.9-151.8-71.300112.1
218F33.7Very low32.4Very low189 Ų189140.5 Ų140.583%0.82980%0.796SS**  trans70.7159175.1-55.5-69.5000117.7
219A28.9Very low32.3Very low95 Ų95134.7 Ų134.779%0.78579%0.79SS**  trans-148.6158.8-151.200000113.8
220S26.3Very low32.5Very low105 Ų105135.2 Ų135.273%0.73479%0.793SS**  -178.5129.5127.9-82.30000115
221T33.2Very low32.6Very low111 Ų111135.3 Ų135.368%0.68179%0.789SS**  trans62.5139138.662.80000123.9
222F32.8Very low32.8Very low185 Ų185135.3 Ų135.381%0.81179%0.789SS**  trans93.3129.4155.4-61.5-66.4000121
223F32.2Very low33Very low184 Ų184136 Ų13681%0.80779%0.786SS**  trans65.4107.5159.3-94.5-103.8000121.9
224D32.3Very low32.7Very low154 Ų154137.1 Ų137.182%0.82479%0.785SS**  71.3160.7120.5-155.715.7000121
225G31.7Very low32.7Very low52 Ų52136.9 Ų136.954%0.53678%0.783SS.*  trans9671.6160.500000119.3
226T34.2Very low32.9Very low143 Ų143136.4 Ų136.488%0.87778%0.78SS**  trans22.6124.6147.455.60000121.3
227H34.8Very low33Very low197 Ų197137.3 Ų137.391%0.91279%0.786SS**  trans-88.2150.5175-52.7-74.1000115.1
228S35.8Very low33Very low118 Ų118133.6 Ų133.683%0.82579%0.789SS**  trans-117.196.2169.961.70000113.2
229S31.8Very low33Very low111 Ų111132.9 Ų132.978%0.77679%0.792SS**  trans35.7124.5146.7-174.20000121.9
230S33Very low33.3Very low125 Ų125134 Ų13487%0.87479%0.794SS**  trans-150139.8141.7-76.10000109.9
231D32.3Very low33.6Very low134 Ų134137.4 Ų137.472%0.71780%0.799SS**  trans-108.6131.1-160.8-159.86.5000111.6
232P39.3Very low34.4Very low115 Ų115137.8 Ų137.875%0.74780%0.803SS**  trans-95.412.2-165.137-37.8000116.4N234P232-N234 PolarHBondContact O-N 2.99Å
233W38.8Very low34.4Very low218 Ų218132.2 Ų132.283%0.82680%0.798SS**  trans-88.391.5-167.1-70.896.4000115.6
234N28.3Very low34.4Very low149 Ų149135.2 Ų135.280%0.79781%0.806SS**  trans-152.2103.8144.9-1738.4000113P232P232-N234 PolarHBondContact O-N 2.99Å
235S31Very low34.5Very low119 Ų119131.6 Ų131.683%0.83280%0.804SS**  trans-169.5135.7149.1-82.50000109.7
236S34.1Very low34.5Very low103 Ų103132.8 Ų132.872%0.7282%0.816SS**  trans-109.6148.4177.51760000111.4
237S35.3Very low34.5Very low116 Ų116135.3 Ų135.381%0.81182%0.821SS**  trans57.2120.8152.747.90000119.6
238G33.1Very low34.6Very low83 Ų83134.4 Ų134.486%0.85682%0.822SS**  trans152.5105160.600000113.8
239I34.3Very low34.5Very low174 Ų174134 Ų13489%0.89283%0.825SS**  trans-145.5128.2169.9-161.5168.5000111.3
240S35.6Very low34.5Very low118 Ų118132.2 Ų132.283%0.82582%0.824SS**  trans-155.2155.317155.20000110.2
241Q32.3Very low34.5Very low176 Ų176132.7 Ų132.782%0.82283%0.828SS**  trans-91.2155.6-162.5-68.9-85.2-7.100113.6
242P48.8Very low34.3Very low119 Ų119132 Ų13277%0.77383%0.834SS**  trans-74.1167.5158.935.2-35.3000111
243G34.3Very low33.9Very low68 Ų68132.2 Ų132.270%0.70184%0.838SS**  trans-160.2176.2178.200000114.8
244Y32.2Very low33.5Very low248 Ų248130.6 Ų130.697%0.97384%0.839SS**  trans-156.3165.8164.7-103.1-79.2000107.3
245G33.7Very low33.8Very low77 Ų77131.5 Ų131.579%0.79484%0.841SS**  trans-169.2-173-17900000115.6
246G32.4Very low33.9Very low77 Ų77129.6 Ų129.679%0.79483%0.832SS**  trans118.1116.9173.300000114.3
247M33.4Very low33.6Very low197 Ų197133.3 Ų133.397%0.9784%0.838SS**  trans179.3167.6132-94-172.390.500109.8
248L36.8Very low33.4Very low177 Ų177134.1 Ų134.193%0.92784%0.838SS**  trans-116.9120.1-158.2-67.2163.2000114.3
249A34.2Very low33.2Very low109 Ų109133.4 Ų133.490%0.90183%0.831SS**  trans-175.2150.1152.100000108.3
250G30.7Very low33Very low74 Ų74131.3 Ų131.376%0.76382%0.822SS**  cis168.8101.6-600000109.4
251S33.8Very low32.6Very low135 Ų135135.7 Ų135.794%0.94482%0.822SS**  trans-76.8135.6-168.6-50.20000113.9
252S27.4Very low32.3Very low121 Ų121132.9 Ų132.985%0.84682%0.821SS**  trans-151132.1163.4-172.80000111.6
253S31.6Very low31.3Very low119 Ų119132.4 Ų132.483%0.83282%0.821SS**  trans-155.9111.9168.5530000110.6
254H30.9Very low31.3Very low183 Ų183135.6 Ų135.685%0.84782%0.821SS**  trans-153.8154.8166.1-160.7-89.5000110.5
255M35Very low31.4Very low169 Ų169131.8 Ų131.883%0.83381%0.812SS**  trans-91.5-179.9-179.9-53.8-16480.400110.2
256A31.8Very low31.1Very low78 Ų78133.9 Ų133.965%0.64581%0.814SS**  cis-172.2-179.93300000113.2
257Q29.3Very low31.3Very low182 Ų182139 Ų13985%0.8582%0.817SS**  trans73.3150.2162.8-50.7-152.516.900117.1
258T31.1Very low31.1Very low132 Ų132136 Ų13681%0.8181%0.805SS**  cis-129.2177.4-10.146.30000108.5
259G27.1Very low30.9Very low69 Ų69136.9 Ų136.971%0.71180%0.796SS**  cis-175.3-176.53.800000110.4
260N30.1Very low31.1Very low130 Ų130139.2 Ų139.270%0.69579%0.792SS**  trans-127143.7-165.8-119.485.5000115.2
261Y27.8Very low31Very low210 Ų210142 Ų14282%0.82479%0.79SS**  trans59.9126.8166.3-57.5-63.8000120.1
262S27.1Very low30.8Very low117 Ų117145.1 Ų145.182%0.81878%0.782SS**  159.8152.4113.8-71.80000115.4
263S26.9Very low31.4Very low108 Ų108144.9 Ų144.976%0.75578%0.778SS**  trans64101154.7-159.30000122.4
264L33.4Very low31.3Very low136 Ų136142.6 Ų142.671%0.71277%0.766SS**  19.9124.9122.5-61.8165.7000120.6
265H35.6Very low31.6Very low167 Ų167142 Ų14277%0.77376%0.764SS**  trans52.3121145.3-53.5125.6000122
266S27.1Very low31.5Very low122 Ų122138.9 Ų138.985%0.85376%0.758SS**  -173.2165.4105.3-790000112.4
267H36.6Very low31.5Very low185 Ų185142 Ų14286%0.85677%0.769SS**  trans-88156.6-171.4-59.6-96.8000114.4
268D28.3Very low31.7Very low133 Ų133138.6 Ų138.671%0.71177%0.765SS**  -154.1138.5121.5-129.5-22.6000115.6
269R33.3Very low32.7Very low196 Ų196137.2 Ų137.274%0.7476%0.759SS**  trans39.4110.1156.5-73.1152.2-157.2-77.2-7.8125.8
270L39.6Very low32.9Very low157 Ų157140 Ų14082%0.82276%0.757SS**  57118.2116.1-63.9170.8000122.1
271N26.8Very low33.3Very low132 Ų132140.1 Ų140.171%0.70676%0.756SS**  -164.2151.4108.7-151.3-5000113.6
272Y30.9Very low33.6Very low201 Ų201137.1 Ų137.179%0.78876%0.755SS**SBendtrans64.2155.6171.9-76.7-67.8000117.9
273P39.8Very low34.3Very low117 Ų117136.7 Ų136.776%0.7676%0.758SS**  -129.4-176.7-125.833.6-11.3000117.8
274A30Very low34.7Very low70 Ų70137 Ų13758%0.57976%0.76SS**  trans-67.1172.9-175.100000114.4
275H36.3Very low35.5Very low172 Ų172138.6 Ų138.680%0.79677%0.768SS**  cis-146.7137.137.5-64.2-91000112
276S33.8Very low35.8Very low102 Ų102136 Ų13671%0.71377%0.767SS**  69.2130.781.1-39.40000113.5
277V31.7Very low36.7Very low143 Ų143136.3 Ų136.387%0.86777%0.766SS**  cis-145.116915-70.60000113.4
278S32.8Very low36.6Very low111 Ų111136.6 Ų136.678%0.77677%0.77SS**  trans-123.7-169.8161.6-1350000107.6
279P51.5Low36.7Very low104 Ų104136.1 Ų136.168%0.67578%0.777SS**  cis-131.2-149.616.636.6-10.2000111.7
280D31.6Very low36.6Very low128 Ų128131.2 Ų131.268%0.68477%0.773SS**  cis-162.5173.18.9-141.2-28.6000114.4
281I37.9Very low36.3Very low131 Ų131131.8 Ų131.867%0.67277%0.769SS**  trans25.7150.4164.830.763.1000126.3
282N34.7Very low36.8Very low148 Ų148132.4 Ų132.479%0.79177%0.767SS**  trans90.3108.1156-66.7-26.8000119.4
283A41.4Very low36.9Very low108 Ų108133.6 Ų133.689%0.89377%0.77SS**  trans-82.3125.516000000110.5
284S35.7Very low36.4Very low114 Ų114134.2 Ų134.280%0.79778%0.778SS**  trans-154.6136.3162.3-164.60000109.5
285L50.3Low36.5Very low169 Ų169138 Ų13889%0.88579%0.788SS**PPolyproline II helixtrans-93.9127.1-178.1-66.2172.8000110.6
286P41Very low36.2Very low114 Ų114134.8 Ų134.874%0.7478%0.781SS**PPolyproline II helixtrans-76150.3160.532.2-32000110.6
287P46.5Very low36.2Very low128 Ų128134.9 Ų134.983%0.83178%0.781SS**PPolyproline II helixtrans-83.9161.7-168.833.5-37.2000114.5
288M34.4Very low36.2Very low191 Ų191134 Ų13494%0.94178%0.776SS**PPolyproline II helixtrans-76147.2167.3-68.1177.562.400112
289S30.9Very low36.3Very low123 Ų123134.3 Ų134.386%0.8678%0.778SS**  trans-153.1147.9154.5-163.80000113.6
290S30.4Very low36.2Very low93 Ų93134.8 Ų134.865%0.6578%0.782SS**  trans-44140.9-179.2-880000118.7
291F34.5Very low36.2Very low169 Ų169138.3 Ų138.374%0.74179%0.791SS**  31.3144.6116.7-54.7-49000120.8
292H37.7Very low36Very low145 Ų145137.7 Ų137.767%0.67179%0.793SS**  cis-165.4157.67.1-112.3-30.6000111.9
293R32.4Very low35.7Very low225 Ų225136.4 Ų136.485%0.84979%0.791SS**  trans45.9119.2149.2-67.2177.3170.9-104.41.4121.9
294S28.6Very low35.1Very low131 Ų131135.8 Ų135.892%0.91679%0.786SS**  -165.9-173114.656.40000111.1
295N31.3Very low34.7Very low149 Ų149133.7 Ų133.780%0.79778%0.776SS**  trans-131.3167.9-157.2-167.425.4000114.5
296T31.1Very low33.7Very low105 Ų105133.8 Ų133.864%0.64477%0.771SS**  trans88.190.7155.3-44.10000119.6
297S32.7Very low33.2Very low103 Ų103135.1 Ų135.172%0.7278%0.777SS**  78.1147.8129.2-57.60000124.8
298T33.3Very low32.4Very low125 Ų125134.8 Ų134.877%0.76778%0.778SS**  trans74.792.5147.337.90000122.2
299S34.3Very low32.2Very low117 Ų117131.2 Ų131.282%0.81877%0.772SS**  trans70.9145.4135.950.30000121.4
300P49.5Very low32.2Very low115 Ų115131.1 Ų131.175%0.74777%0.766SS**  trans-110.1149.6-173.439.8-31.3000114.9
301F32Very low32.3Very low202 Ų202133.8 Ų133.889%0.88677%0.773SS**  trans-160.2120152.8-107.2-76.7000113.6
302V32.4Very low32.1Very low117 Ų117130.3 Ų130.371%0.70977%0.77SS**  trans48.8102.9138.5177.60000121.5
303T29.5Very low31.9Very low122 Ų122129.9 Ų129.975%0.74878%0.777SS**  63.9115116.8-45.80000123.6
304A28Very low32.1Very low94 Ų94126.8 Ų126.878%0.77778%0.777SS**  trans66.9159.314300000121.2
305A28.2Very low32.3Very low71 Ų71124.2 Ų124.259%0.58777%0.771SS**  cis-173.9174.3-30.900000111
306H29.6Very low32.4Very low170 Ų170122.9 Ų122.979%0.78777%0.768SS**  trans92.4134.1153.6-54.3-64000123
307T30.4Very low32.7Very low143 Ų143126 Ų12688%0.87778%0.777SS**  trans80.4160.2148.948.60000121.9
308S29.9Very low32.8Very low120 Ų120127.8 Ų127.884%0.83978%0.784SS**  trans-155.1162.8-151.550.10000114.7
309S28.3Very low32.9Very low116 Ų116126 Ų12681%0.81178%0.781SS**  trans-169.9177.5174.7530000111.6
310V31.5Very low32.9Very low122 Ų122124.9 Ų124.974%0.73978%0.779SS**  -166.4147.9-64.9122.60000110.6
311N32.3Very low32.2Very low148 Ų148126.8 Ų126.879%0.79178%0.783SS**  trans64.3158.9173.1-69.7-1.4000116.7
312S30.2Very low32.3Very low97 Ų97129.4 Ų129.468%0.67879%0.787SS**  cis-173.7174.2-9.4-94.30000108
313V35Very low32.2Very low136 Ų136127.7 Ų127.782%0.82479%0.793SS**  cis-156.4-179.32-111.70000110.2
314D35.4Very low32.7Very low160 Ų160128.2 Ų128.286%0.85680%0.796SS**  trans-70.3175.6-178-54.3-91.1000118.6
315G33.5Very low33Very low76 Ų76130.2 Ų130.278%0.78480%0.799SS**  trans-167.4-15.6177.900000125.4
316V32.2Very low33.4Very low122 Ų122133.9 Ų133.974%0.73982%0.815SS**  trans45.5110.3160.1-179.50000122.9
317M37.5Very low33.6Very low169 Ų169129 Ų12983%0.83381%0.81SS**  trans60.9164.8140.3-67.1-160.8-67.300125.6
318V34.8Very low34.6Very low142 Ų142128.3 Ų128.386%0.86181%0.811SS**  trans86.1143.2162.9-171.50000117.4
319A36.5Very low35.2Very low87 Ų87126.9 Ų126.972%0.71980%0.801SS**  cis-169.9160.6-39.700000111.8
320A34.3Very low36.4Very low93 Ų93130.2 Ų130.277%0.76980%0.804SS**  trans63.5119.6148.600000123.7
321N35.1Very low37.3Very low155 Ų155129 Ų12983%0.82980%0.797SS**  trans27.8124.1137.7-61.15.4000122.1
322R33.5Very low38.4Very low257 Ų257124.4 Ų124.497%0.9778%0.784SS**  178.7145.1105-96.8172.4-174.8-134.21.1111.6
323G30.8Very low39.7Very low82 Ų82125.9 Ų125.985%0.84579%0.785SS**  trans154103.4169.100000114.4
324T40.8Very low40.8Very low132 Ų132122.3 Ų122.381%0.8177%0.769SS**  trans-118.2125.5173.748.10000110.3
325T32.9Very low41.9Very low136 Ų136119.5 Ų119.583%0.83475%0.754SS**  trans-177129.1137.427.60000111.7
326T36.1Very low43.6Very low149 Ų149118 Ų11891%0.91474%0.737SS**  trans16.3103.7142-38.50000118.5
327G34.1Very low45.1Very low67 Ų67119.6 Ų119.669%0.69174%0.735SS**  trans-148.4128.7161.900000109.4S329G327-S329 PolarHBondContact O-N 3.01Å
328S51.9Low46Very low129 Ų129114.3 Ų114.390%0.90272%0.718SS**  trans-68.4128.3-175.7-174.10000111.4
329S42.2Very low47Very low90 Ų90112.6 Ų112.663%0.62970%0.703SS**  trans-145117.2171.3-80.20000110.4G327 T331 G332G327-S329 PolarHBondContact O-N 3.01Å; S329-T331 PolarHBondContact O-N 3.45Å; S329-G332 PolarHBondContact O-N 3.43Å
330Q53.1Low47.7Very low186 Ų186111.4 Ų111.487%0.86969%0.693SS**THydrogen-bonded Turntrans-64.114.7-176.8-164.4176.7-18.600114.6
331T51.6Low48.6Very low97 Ų97111.6 Ų111.660%0.59569%0.689SS**THydrogen-bonded Turntrans-101.3-27.9-175.2-39.90000112.1S329 A334 L335S329-T331 PolarHBondContact O-N 3.45Å; T331-A334 PolarHBondContact O-N 2.79Å; T331-L335 PolarHBondContact O-N 2.8Å; T331-L335 VanDerWaalsContact O-N 3.12Å
332G55Low49.5Very low50 Ų50110 Ų11052%0.51568%0.679SS.*Hα-helixtrans-63.4-51.9-17800000112.8S329 A334 L335 G336S329-G332 PolarHBondContact O-N 3.43Å; G332-A334 VanDerWaalsContact C-N 3.28Å; G332-A334 PolarHBondContact O-N 3.21Å; G332-L335 PolarHBondContact O-N 3.47Å; G332-G336 PolarHBondContact O-N 3.42Å
333D57.3Low50.2Low129 Ų129107.3 Ų107.369%0.6967%0.67SS**Hα-helixtrans-64.9-32.6-179.7-57.3-42.1000112.5K337D333-K337 WeakPolarHBondContact O-CB 3.45Å; D333-K337 WeakPolarHBondContact O-CG 3.36Å; D333-K337 PolarHBondContact O-N 2.98Å
334A57.4Low50.6Low60 Ų60108.1 Ų108.150%0.49666%0.663SS.*Hα-helixtrans-66.7-41.9175.800000111.3T331 G332 A338T331-A334 PolarHBondContact O-N 2.79Å; G332-A334 VanDerWaalsContact C-N 3.28Å; G332-A334 PolarHBondContact O-N 3.21Å; A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.43Å
335L59.9Low50.8Low102 Ų102106.9 Ų106.953%0.53466%0.658SS.*Hα-helixtrans-72.9-39.2178.6-147.4163.3000111.2T331 G332 A338 L339T331-L335 PolarHBondContact O-N 2.8Å; T331-L335 VanDerWaalsContact O-N 3.12Å; G332-L335 PolarHBondContact O-N 3.47Å; L335-A338 PolarHBondContact O-N 2.82Å; L335-L339 HydrophobicContact CD2-CD1 3.6Å; L335-L339 HydrophobicContact CD2-CG 3.96Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 3.35Å
336G68.4Low51.2Low43 Ų43107.8 Ų107.844%0.44366%0.657SS.*Hα-helixtrans-60.2-44.9172.100000112.9G332 L339 A340G332-G336 PolarHBondContact O-N 3.42Å; G336-L339 PolarHBondContact O-N 3.3Å; G336-A340 PolarHBondContact O-N 2.86Å; G336-A340 VanDerWaalsContact O-N 3.07Å
337K63.6Low51.4Low157 Ų157110 Ų11068%0.68366%0.657SS**Hα-helixtrans-67.1-40.5173.9-73.9-177.5177.7-172.30112.5D333 L339 A340 S341D333-K337 WeakPolarHBondContact O-CB 3.45Å; D333-K337 WeakPolarHBondContact O-CG 3.36Å; D333-K337 PolarHBondContact O-N 2.98Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 3.47Å; K337-A340 WeakPolarHBondContact O-CB 3.48Å; K337-A340 PolarHBondContact O-N 2.94Å; K337-S341 PolarHBondContact O-N 2.75Å; K337-S341 PolarHBondContact O-OG 2.85Å
338A56Low51.7Low57 Ų57114 Ų11447%0.47167%0.668SS.*Hα-helixtrans-61.8-38.8176.500000112.5A334 L335 S341 I342A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 2.82Å; A338-S341 PolarHBondContact O-N 3.41Å; A338-I342 WeakPolarHBondContact O-CG1 3.41Å
339L56.8Low51Low107 Ų107113.3 Ų113.356%0.5666%0.663SS**Hα-helixtrans-69.7-35.7174.4-72.8171.5000112.6L335 G336 K337 I342L335-L339 HydrophobicContact CD2-CD1 3.6Å; L335-L339 HydrophobicContact CD2-CG 3.96Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 3.35Å; G336-L339 PolarHBondContact O-N 3.3Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 3.47Å; L339-I342 HydrophobicContact CD2-CD1 4.06Å; L339-I342 PolarHBondContact O-N 3.48Å
340A51.8Low50.8Low62 Ų62114.8 Ų114.851%0.51267%0.673SS.*Hα-helixtrans-63.4-40.917200000111.8G336 K337 I342 Y343G336-A340 PolarHBondContact O-N 2.86Å; G336-A340 VanDerWaalsContact O-N 3.07Å; K337-A340 WeakPolarHBondContact O-CB 3.48Å; K337-A340 PolarHBondContact O-N 2.94Å; A340-I342 PolarHBondContact O-N 3.22Å; A340-I342 VanDerWaalsContact O-N 3.11Å; A340-Y343 CarbonylContact O-C 3.55Å; A340-Y343 PolarHBondContact O-N 3.27Å
341S52.6Low50.1Low97 Ų97110 Ų11068%0.67866%0.661SS**THydrogen-bonded Turntrans-67-6.2178.2-64.40000115.5K337 A338K337-S341 PolarHBondContact O-N 2.75Å; K337-S341 PolarHBondContact O-OG 2.85Å; A338-S341 PolarHBondContact O-N 3.41Å
342I53.7Low49.5Very low121 Ų121114.4 Ų114.462%0.62167%0.672SS**THydrogen-bonded Turntrans-87.1-10.3171.8-29.4-177.4000111.6A338 L339 A340A338-I342 WeakPolarHBondContact O-CG1 3.41Å; L339-I342 HydrophobicContact CD2-CD1 4.06Å; L339-I342 PolarHBondContact O-N 3.48Å; A340-I342 PolarHBondContact O-N 3.22Å; A340-I342 VanDerWaalsContact O-N 3.11Å
343Y48.3Very low48.8Very low200 Ų200118.1 Ų118.178%0.78469%0.687SS**SBendtrans-131.997.1176.3-86.3-87.2000111.7A340A340-Y343 CarbonylContact O-C 3.55Å; A340-Y343 PolarHBondContact O-N 3.27Å
344S38.8Very low47.8Very low100 Ų100117.5 Ų117.570%0.69969%0.693SS**SBendtrans86.7159.8171-27.40000115.1
345P46.3Very low46.7Very low106 Ų106122 Ų12269%0.68871%0.709SS**  -126.2161.2-103.319.74.3000116.4
346D39.8Very low45.9Very low154 Ų154122.5 Ų122.582%0.82472%0.718SS**  trans41.799160.1-69.8-47.5000120.5
347H41.1Very low44.3Very low196 Ų196125.2 Ų125.291%0.90773%0.73SS**  trans-143.7149.7150.4-76.5-51.8000111.9
348T39.9Very low43.3Very low151 Ų151122.3 Ų122.393%0.92673%0.726SS**  trans-115.1170.2178.465.70000112.1
349S37.8Very low42.7Very low115 Ų115121.9 Ų121.980%0.80472%0.718SS**  trans-95.8149.8-157.156.60000116.9
350S37.7Very low41.7Very low120 Ų120122.8 Ų122.884%0.83973%0.728SS**  trans-166149.1141.2-164.80000114.9
351S37.9Very low40.8Very low87 Ų87122.6 Ų122.661%0.60873%0.732SS**  trans173.6148.4174.3-80.30000107.7
352F39.3Very low40.1Very low188 Ų188123.9 Ų123.983%0.82574%0.741SS**  cis-156.1-173.3-3.9-71-55.4000106.3
353P40.7Very low39.2Very low128 Ų128123.9 Ų123.983%0.83175%0.749SS**  cis-121.3-151.2-35.829-6.6000111
354S35.3Very low38.8Very low116 Ų116119.6 Ų119.681%0.81175%0.748SS**  trans-136.8146.7-157-42.60000118.3
355N35.6Very low38.9Very low155 Ų155120.5 Ų120.583%0.82975%0.751SS**  trans66.9174.2146.5-125.92.6000119.1
356P43.7Very low38.2Very low112 Ų112123 Ų12373%0.72776%0.759SS**  cis-149.2161.846.642.5-20.8000122.2
357S33.3Very low37.7Very low101 Ų101121.4 Ų121.471%0.70675%0.754SS**  trans85.4162.1141.7-67.50000124.9
358T42.1Very low37.2Very low96 Ų96116.4 Ų116.459%0.58975%0.747SS**BIsolated β-bridgetrans-131.6171.9-160.975.10000113.8
359P44.9Very low36.7Very low48 Ų48115.4 Ų115.431%0.31274%0.741SS.*  -167.5152.292.842.6-20.3000123.6S104 I106S104-P359 WeakPolarHBondContact OG-CB 2.83Å; I106-P359 HydrophobicContact CG1-CG 4.23Å
360V35.9Very low36.4Very low125 Ų125114.8 Ų114.876%0.75874%0.743SS**  trans14.7132.8131.8-170.30000123.6
361G31.8Very low36Very low59 Ų59112.3 Ų112.361%0.60874%0.736SS**  130.574114.400000127.3
362S37.7Very low35.7Very low123 Ų123113.3 Ų113.386%0.8675%0.75SS**  trans66.6166150.384.70000118.6
363P35.2Very low35.4Very low121 Ų121108.7 Ų108.779%0.78675%0.746SS**  cis-139.3-16639.143.6-23.1000117.1
364S39.2Very low35Very low110 Ų110107.4 Ų107.477%0.76975%0.746SS**  trans-109.4163.6-179.2-46.60000114.8
365P41.4Very low34.9Very low119 Ų119106.5 Ų106.577%0.77375%0.746SS**  -136152.611821.2-1.2000112.2
366L31.1Very low34.7Very low160 Ų160102.5 Ų102.584%0.83874%0.741SS**  cis95.9106.839.3-72.6-179.1000116.4
367T30Very low34.1Very low120 Ų120103.4 Ų103.474%0.73674%0.744SS**  trans78.4112134.2-50.30000123.2
368A29.9Very low34Very low91 Ų91104.6 Ų104.675%0.75275%0.747SS**  -174.8127.312700000108.8
369T29.8Very low33.6Very low130 Ų130105.8 Ų105.880%0.79875%0.754SS**  71.1119.657.9-54.30000111.5
370A32Very low32.9Very low102 Ų102108.7 Ų108.784%0.84378%0.775SS**  cis-154.8175.91.500000108.7
371G28.5Very low32.8Very low67 Ų67107.3 Ų107.369%0.69178%0.778SS**  cis156.4177.9-2.300000111
372A32.9Very low32.9Very low109 Ų109109.8 Ų109.890%0.90179%0.792SS**  trans66.3144.1175.400000117.2
373A31.6Very low32.5Very low91 Ų91107.6 Ų107.675%0.75279%0.789SS**  cis-160.6157.4-11.200000111.8
374A33.4Very low32.7Very low101 Ų101108.5 Ų108.584%0.83579%0.793SS**  trans60.6162.9151.900000119.7
375A32.3Very low33.1Very low97 Ų97109.6 Ų109.680%0.80280%0.797SS**  cis-169.5149.7-35.500000108.5
376G31.5Very low33Very low70 Ų70109.6 Ų109.672%0.72280%0.8SS**  trans85.1143.3176.100000113.8
377T31Very low33Very low131 Ų131106.8 Ų106.880%0.80480%0.8SS**  cis103130.218.3-60.80000113.9
378V32.7Very low33.6Very low126 Ų126111 Ų11176%0.76480%0.802SS**  trans70.7118.8167.7-68.80000123.4
379V33.3Very low34.3Very low121 Ų121112.9 Ų112.973%0.73381%0.806SS**  72110122.3-179.60000121.4
380S30.4Very low34.4Very low109 Ų109109 Ų10976%0.76279%0.792SS**  42.3141127.9-45.90000124.9
381A32.9Very low34.6Very low97 Ų97107.8 Ų107.880%0.80278%0.782SS**  trans92.2115138.500000120.9
382A33.5Very low34.8Very low110 Ų110111.2 Ų111.291%0.90979%0.785SS**  trans45.6120.5137.700000121.1
383G30.6Very low34.6Very low78 Ų78114 Ų11480%0.80478%0.779SS**  trans17387.616300000115.7
384T39.5Very low34.4Very low140 Ų140121.1 Ų121.186%0.85979%0.787SS**  trans-95.7143.3151.753.30000107.7
385P47.9Very low35.6Very low132 Ų132121.3 Ų121.386%0.85778%0.779SS**  -143.6177.480.637.5-19.5000115.3
386S38.6Very low35.5Very low119 Ų119129 Ų12983%0.83279%0.788SS**  trans-89.9144.4179.4175.80000113
387A31.7Very low35.8Very low101 Ų101130.4 Ų130.484%0.83579%0.792SS**  trans-16114614300000113.1
388R40.8Very low36Very low210 Ų210130.6 Ų130.679%0.79280%0.799SS**  trans-98.6167.9172.4-175-175.7168.7-162.3-1.8109.3G390R388-G390 PolarHBondContact NH2-O 2.87Å
389P45.9Very low36Very low129 Ų129128.2 Ų128.284%0.83880%0.8SS**  -144.5151125.435.6-21.4000117.1
390G32.2Very low36.5Very low48 Ų48131.7 Ų131.750%0.49581%0.808SS.*  trans107149.7150.800000118.4R388R388-G390 PolarHBondContact NH2-O 2.87Å
391A36.1Very low36.6Very low78 Ų78132.6 Ų132.665%0.64581%0.809SS**  cis-164.9155.1-26.400000110.7
392N32.7Very low37.1Very low138 Ų138134.2 Ų134.274%0.73881%0.812SS**  trans69150.6162.1-55.9-39.3000118.7
393Q28.4Very low37.2Very low168 Ų168133.8 Ų133.879%0.78580%0.802SS**  cis-158.6-176.1-27.3-118.7174.573.300109.9
394W26.8Very low37.5Very low241 Ų241135.5 Ų135.591%0.91380%0.801SS**  trans-95.9-159.9-162.6-6381.5000116.1
395P58.1Low37.9Very low104 Ų104133.5 Ų133.568%0.67579%0.791SS**  -136151.9-10141.8-22.9000117
396R31.3Very low38.2Very low259 Ų259132.8 Ų132.898%0.97778%0.78SS**  trans-149.8164.8158.1-74.7-158.7174.5138.66.6112.6
397A36.4Very low38.9Very low99 Ų99135.3 Ų135.382%0.81877%0.772SS**  trans-124.5172.6-177.100000112.6
398S36.3Very low40Very low136 Ų136136.7 Ų136.795%0.95176%0.761SS**  trans83.2129-178.6-160.30000116.2
399G33.3Very low40.9Very low75 Ų75132.5 Ų132.577%0.77376%0.755SS**  trans141.5124.9179.700000112.1
400Q43.2Very low41.8Very low195 Ų195130 Ų13091%0.91174%0.741SS**  trans-94.8133.4-176.8-65.7174.4-15.700112.6
401T32.9Very low43.7Very low127 Ų127133.3 Ų133.378%0.77975%0.746SS**  trans-159.6141.114235.20000110.1
402P43.8Very low45.4Very low132 Ų132134 Ų13486%0.85774%0.736SS**  trans-98.6129.1167.534.4-28.2000111.2
403S35.3Very low47.4Very low100 Ų100130.7 Ų130.770%0.69972%0.724SS**  trans-146.4108.1177.934.80000113.7
404S35.2Very low50Low114 Ų114127.3 Ų127.380%0.79771%0.71SS**  trans55.4130.3154.4-56.30000120.8
405P49.7Very low52.6Low99 Ų99122.7 Ų122.764%0.64370%0.697SS**  trans-71142.5170.930.8-34.2000112.1Y407P405-Y407 HydrophobicContact CG-CE2 3.99Å; P405-Y407 WeakPolarHBondContact O-CD2 3.23Å; P405-Y407 PolarHBondContact O-N 3.4Å
406N53Low53.8Low116 Ų116122.8 Ų122.862%0.6269%0.691SS**  trans-83.1111.1-178.5-178-19.7000111.6E408N406-E408 PolarHBondContact OD1-N 3.04Å
407Y53.3Low56.5Low172 Ų172118.6 Ų118.668%0.67568%0.676SS**  trans-83.7-21-179-79.7-88.4000115P405 N409 S410 L411P405-Y407 HydrophobicContact CG-CE2 3.99Å; P405-Y407 WeakPolarHBondContact O-CD2 3.23Å; P405-Y407 PolarHBondContact O-N 3.4Å; Y407-N409 PolarHBondContact O-N 3.46Å; Y407-S410 WeakPolarHBondContact O-CB 3.46Å; Y407-S410 PolarHBondContact O-N 3.29Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; Y407-L411 PolarHBondContact O-N 3.12Å
408E55.5Low59.1Low130 Ų130117.8 Ų117.861%0.60766%0.661SS**Hα-helixtrans-63.6-41-173.9-81.2-147.5110.100112.9N406 S410 L411 H412N406-E408 PolarHBondContact OD1-N 3.04Å; E408-S410 PolarHBondContact O-N 3.15Å; E408-L411 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-ND1 2.79Å; E408-H412 IonicContact OE1-CE1 2.9Å
409N58.9Low61.3Low123 Ų123117.3 Ų117.366%0.65864%0.643SS**Hα-helixtrans-61.9-31.6178.3-102.7-29.7000112.1Y407 S413Y407-N409 PolarHBondContact O-N 3.46Å; N409-S413 VanDerWaalsContact O-CB 3.23Å; N409-S413 WeakPolarHBondContact O-CB 3.25Å; N409-S413 PolarHBondContact O-N 3.22Å
410S65.3Low64Low77 Ų77118.6 Ų118.654%0.53863%0.629SS.*Hα-helixtrans-69.1-45.1176.4-165.30000111.2Y407 E408 S413 L414Y407-S410 WeakPolarHBondContact O-CB 3.46Å; Y407-S410 PolarHBondContact O-N 3.29Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; E408-S410 PolarHBondContact O-N 3.15Å; S410-S413 PolarHBondContact O-N 3.32Å; S410-L414 WeakPolarHBondContact O-CB 3.37Å; S410-L414 PolarHBondContact O-N 2.91Å
411L72.1Confident66.3Low116 Ų116115.8 Ų115.861%0.60762%0.616SS**Hα-helixtrans-66.4-39.6177.2-69.8175.2000112.6Y407 E408 L414 K415Y407-L411 PolarHBondContact O-N 3.12Å; E408-L411 PolarHBondContact O-N 3.49Å; L411-L414 PolarHBondContact O-N 3Å; L411-K415 VanDerWaalsContact O-CB 3.28Å; L411-K415 WeakPolarHBondContact O-CB 3.43Å; L411-K415 PolarHBondContact O-N 3.33Å
412H72.3Confident69.2Low94 Ų94114.8 Ų114.844%0.43561%0.605SS.*Hα-helixtrans-66-42.3174.6-74.888.2000111.9E408 K415 N416E408-H412 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-ND1 2.79Å; E408-H412 IonicContact OE1-CE1 2.9Å; H412-K415 PolarHBondContact O-N 3.12Å; H412-N416 WeakPolarHBondContact O-CB 3.45Å; H412-N416 PolarHBondContact O-N 2.99Å; H412-N416 PolarHBondContact O-OD1 3.27Å
413S74.4Confident71.4Confident68 Ų68113.7 Ų113.748%0.47659%0.588SS.*Hα-helixtrans-65.1-39.9175.8-169.90000112.3N409 S410 N416 R417N409-S413 VanDerWaalsContact O-CB 3.23Å; N409-S413 WeakPolarHBondContact O-CB 3.25Å; N409-S413 PolarHBondContact O-N 3.22Å; S410-S413 PolarHBondContact O-N 3.32Å; S413-N416 PolarHBondContact O-N 2.72Å; S413-R417 WeakPolarHBondContact O-CB 3.38Å; S413-R417 PolarHBondContact O-N 3.47Å
414L82.5Confident74.1Confident97 Ų97114.6 Ų114.651%0.50858%0.582SS.*Hα-helixtrans-65.6-46173.9-179.161000111.9S410 L411 N416 R417 V418S410-L414 WeakPolarHBondContact O-CB 3.37Å; S410-L414 PolarHBondContact O-N 2.91Å; L411-L414 PolarHBondContact O-N 3Å; L414-N416 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 2.91Å; L414-R417 PolarHBondContact O-N 3.4Å; L414-V418 HydrophobicContact CD1-CG2 4.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.35Å
415K81.1Confident76.7Confident144 Ų144115.4 Ų115.463%0.62657%0.572SS**Hα-helixtrans-57.7-45.6175.7-178.3-179.7177.6-177.30111.2L411 H412 V418 H419L411-K415 VanDerWaalsContact O-CB 3.28Å; L411-K415 WeakPolarHBondContact O-CB 3.43Å; L411-K415 PolarHBondContact O-N 3.33Å; H412-K415 PolarHBondContact O-N 3.12Å; K415-V418 PolarHBondContact O-N 2.66Å; K415-H419 VanDerWaalsContact O-CB 3.27Å; K415-H419 WeakPolarHBondContact O-CB 3.36Å; K415-H419 PolarHBondContact O-N 3.28Å
416N85Confident78.8Confident105 Ų105115 Ų11556%0.56157%0.565SS**Hα-helixtrans-65.7-39.1178.2-68.6-3.9000111.7H412 S413 L414 H419 Q420H412-N416 WeakPolarHBondContact O-CB 3.45Å; H412-N416 PolarHBondContact O-N 2.99Å; H412-N416 PolarHBondContact O-OD1 3.27Å; S413-N416 PolarHBondContact O-N 2.72Å; L414-N416 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 2.91Å; N416-H419 PolarHBondContact O-N 3.39Å; N416-Q420 WeakPolarHBondContact O-CB 3.27Å; N416-Q420 PolarHBondContact O-N 3.48Å
417R87.4Confident80.8Confident171 Ų171114.4 Ų114.465%0.64556%0.558SS**Hα-helixtrans-63.4-46.9174.6-172-176.9-59.1-161.30.3112.3S413 L414 H419 Q420 Q421S413-R417 WeakPolarHBondContact O-CB 3.38Å; S413-R417 PolarHBondContact O-N 3.47Å; L414-R417 PolarHBondContact O-N 3.4Å; R417-H419 VanDerWaalsContact C-N 3.34Å; R417-Q420 PolarHBondContact O-N 2.95Å; R417-Q421 WeakPolarHBondContact O-CB 3.4Å; R417-Q421 PolarHBondContact O-N 3.39Å
418V89.9Confident82.7Confident83 Ų83111.1 Ų111.150%0.50355%0.552SS.*Hα-helixtrans-64.4-40.3177.6172.50000110.8L414 K415 Q421 L422L414-V418 HydrophobicContact CD1-CG2 4.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.35Å; K415-V418 PolarHBondContact O-N 2.66Å; V418-Q421 PolarHBondContact O-N 3.39Å; V418-L422 VanDerWaalsContact O-CB 3.27Å; V418-L422 WeakPolarHBondContact O-CB 3.27Å; V418-L422 PolarHBondContact O-N 2.99Å
419H84.1Confident84.5Confident126 Ų126106.9 Ų106.958%0.58354%0.539SS*.Hα-helixtrans-66.4-39.3176.4-166-79.2000112.3K415 N416 R417 H423K415-H419 VanDerWaalsContact O-CB 3.27Å; K415-H419 WeakPolarHBondContact O-CB 3.36Å; K415-H419 PolarHBondContact O-N 3.28Å; N416-H419 PolarHBondContact O-N 3.39Å; R417-H419 VanDerWaalsContact C-N 3.34Å; H419-H423 VanDerWaalsContact O-CB 3.29Å; H419-H423 WeakPolarHBondContact O-CB 3.35Å; H419-H423 PolarHBondContact O-N 3.41Å
420Q89Confident86.1Confident102 Ų102105.4 Ų105.448%0.47753%0.529SS..Hα-helixtrans-65.9-46.1174.7-173.862.955.900111.5N416 R417 L422 H423 E424N416-Q420 WeakPolarHBondContact O-CB 3.27Å; N416-Q420 PolarHBondContact O-N 3.48Å; R417-Q420 PolarHBondContact O-N 2.95Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.35Å; Q420-H423 PolarHBondContact O-N 3.25Å; Q420-H423 VanDerWaalsContact O-N 3.16Å; Q420-E424 PolarHBondContact O-N 2.86Å
421Q91.2Very high87.5Confident135 Ų135104.3 Ų104.363%0.63152%0.522SS*.Hα-helixtrans-64.1-37.8177.9-175.3178.7-7.700112R417 V418 H425R417-Q421 WeakPolarHBondContact O-CB 3.4Å; R417-Q421 PolarHBondContact O-N 3.39Å; V418-Q421 PolarHBondContact O-N 3.39Å; Q421-H425 VanDerWaalsContact O-CB 3.3Å; Q421-H425 WeakPolarHBondContact O-CB 3.4Å; Q421-H425 PolarHBondContact O-N 2.97Å
422L93.8Very high88.5Confident107 Ų107105.5 Ų105.556%0.5652%0.522SS*.Hα-helixtrans-65.9-40.6172.7-172.370.7000111.3V418 Q420 L426V418-L422 VanDerWaalsContact O-CB 3.27Å; V418-L422 WeakPolarHBondContact O-CB 3.27Å; V418-L422 PolarHBondContact O-N 2.99Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.35Å; L422-L426 WeakPolarHBondContact O-CB 3.44Å; L422-L426 PolarHBondContact O-N 3.1Å
423H90Very high89.5Confident109 Ų109106 Ų10651%0.50553%0.528SS..Hα-helixtrans-66.7-44.9179.5-173.858.2000112.1H419 Q420 L426 Q427H419-H423 VanDerWaalsContact O-CB 3.29Å; H419-H423 WeakPolarHBondContact O-CB 3.35Å; H419-H423 PolarHBondContact O-N 3.41Å; Q420-H423 PolarHBondContact O-N 3.25Å; Q420-H423 VanDerWaalsContact O-N 3.16Å; H423-L426 PolarHBondContact O-N 3.05Å; H423-Q427 WeakPolarHBondContact O-CB 3.28Å; H423-Q427 PolarHBondContact O-N 3Å
424E91.5Very high90.4Very high119 Ų119108.1 Ų108.156%0.55653%0.529SS*.Hα-helixtrans-63.4-47.1173.5-69.8-161.9137.700111.5Q420 L426 Q427 D428Q420-E424 PolarHBondContact O-N 2.86Å; E424-L426 VanDerWaalsContact C-N 3.26Å; E424-L426 PolarHBondContact O-N 2.96Å; E424-Q427 CarbonylContact O-C 3.52Å; E424-Q427 WeakPolarHBondContact O-CA 3.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.37Å; E424-Q427 PolarHBondContact O-N 2.89Å; E424-D428 PolarHBondContact O-N 3.5Å
425H91.1Very high90.8Very high131 Ų131107.2 Ų107.261%0.60652%0.524SS*.Hα-helixtrans-63.4-32179.7-170.751.8000113.3Q421 A429Q421-H425 VanDerWaalsContact O-CB 3.3Å; Q421-H425 WeakPolarHBondContact O-CB 3.4Å; Q421-H425 PolarHBondContact O-N 2.97Å; H425-A429 VanDerWaalsContact O-CB 3.28Å; H425-A429 WeakPolarHBondContact O-CB 3.32Å; H425-A429 PolarHBondContact O-N 2.91Å
426L93.8Very high91.2Very high91 Ų91103.3 Ų103.348%0.47651%0.512SS..Hα-helixtrans-73.3-37.3173.8-158.7161.4000110.9L422 H423 E424 A429 M430L422-L426 WeakPolarHBondContact O-CB 3.44Å; L422-L426 PolarHBondContact O-N 3.1Å; H423-L426 PolarHBondContact O-N 3.05Å; E424-L426 VanDerWaalsContact C-N 3.26Å; E424-L426 PolarHBondContact O-N 2.96Å; L426-A429 PolarHBondContact O-N 2.97Å; L426-M430 HydrophobicContact CD2-CE 3.61Å; L426-M430 HydrophobicContact CD2-CG 4.04Å; L426-M430 HydrophobicContact CD2-SD 3.71Å; L426-M430 WeakPolarHBondContact O-CB 3.31Å; L426-M430 VanDerWaalsContact O-CG 3.31Å; L426-M430 WeakPolarHBondContact O-CG 3.21Å; L426-M430 PolarHBondContact O-N 3.27Å
427Q94.2Very high91.3Very high102 Ų102102.1 Ų102.148%0.47751%0.511SS..Hα-helixtrans-65.3-43.9173.1-172.363.728.500112.1H423 E424 M430 S431H423-Q427 WeakPolarHBondContact O-CB 3.28Å; H423-Q427 PolarHBondContact O-N 3Å; E424-Q427 CarbonylContact O-C 3.52Å; E424-Q427 WeakPolarHBondContact O-CA 3.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.37Å; E424-Q427 PolarHBondContact O-N 2.89Å; Q427-M430 PolarHBondContact O-N 3.44Å; Q427-M430 VanDerWaalsContact OE1-CE 3.23Å; Q427-S431 PolarHBondContact O-N 3.01Å
428D94Very high91.3Very high104 Ų10497.2 Ų97.256%0.55650%0.495SS*.Hα-helixtrans-59.5-46.5173.2-71.4-20.7000111E424 M430 S431 F432E424-D428 PolarHBondContact O-N 3.5Å; D428-M430 VanDerWaalsContact C-N 3.33Å; D428-M430 PolarHBondContact O-N 2.94Å; D428-S431 PolarHBondContact O-N 3.28Å; D428-F432 WeakPolarHBondContact O-CB 3.3Å; D428-F432 PolarHBondContact O-N 3.04Å
429A93.2Very high91.1Very high41 Ų4196.2 Ų96.234%0.33949%0.492SS..Hα-helixtrans-63.2-38.2177.400000112.1H425 L426 L433H425-A429 VanDerWaalsContact O-CB 3.28Å; H425-A429 WeakPolarHBondContact O-CB 3.32Å; H425-A429 PolarHBondContact O-N 2.91Å; L426-A429 PolarHBondContact O-N 2.97Å; A429-L433 VanDerWaalsContact O-CB 3.27Å; A429-L433 WeakPolarHBondContact O-CB 3.22Å; A429-L433 WeakPolarHBondContact O-CD1 3.49Å; A429-L433 VanDerWaalsContact O-CG 3.23Å; A429-L433 WeakPolarHBondContact O-CG 3.41Å; A429-L433 PolarHBondContact O-N 3.43Å
430M93.1Very high91.2Very high91 Ų9199 Ų9945%0.44850%0.498SS..Hα-helixtrans-69-37.7173.7-74.1-173.2-54.200112.6L426 Q427 D428 L433 K434L426-M430 HydrophobicContact CD2-CE 3.61Å; L426-M430 HydrophobicContact CD2-CG 4.04Å; L426-M430 HydrophobicContact CD2-SD 3.71Å; L426-M430 WeakPolarHBondContact O-CB 3.31Å; L426-M430 VanDerWaalsContact O-CG 3.31Å; L426-M430 WeakPolarHBondContact O-CG 3.21Å; L426-M430 PolarHBondContact O-N 3.27Å; Q427-M430 PolarHBondContact O-N 3.44Å; Q427-M430 VanDerWaalsContact OE1-CE 3.23Å; D428-M430 VanDerWaalsContact C-N 3.33Å; D428-M430 PolarHBondContact O-N 2.94Å; M430-L433 PolarHBondContact O-N 2.95Å; M430-K434 WeakPolarHBondContact O-CB 3.44Å; M430-K434 PolarHBondContact O-N 3.01Å
431S93.3Very high91.3Very high55 Ų5599.3 Ų99.339%0.38550%0.5SS..Hα-helixtrans-64-51.7173.9-161.30000110.3Q427 D428 L433 K434 D435Q427-S431 PolarHBondContact O-N 3.01Å; D428-S431 PolarHBondContact O-N 3.28Å; S431-L433 VanDerWaalsContact C-N 3.29Å; S431-L433 PolarHBondContact O-N 3.25Å; S431-K434 CarbonylContact O-C 3.56Å; S431-K434 WeakPolarHBondContact O-CA 3.06Å; S431-K434 WeakPolarHBondContact O-CB 3.43Å; S431-K434 PolarHBondContact O-N 2.9Å; S431-D435 PolarHBondContact O-N 2.94Å
432F94.3Very high91.2Very high140 Ų14097.5 Ų97.561%0.61449%0.492SS*.Hα-helixtrans-58.2-40.1177.2-179.8-98.7000112.5D428 V436D428-F432 WeakPolarHBondContact O-CB 3.3Å; D428-F432 PolarHBondContact O-N 3.04Å; F432-V436 HydrophobicContact CD1-CG2 4.32Å; F432-V436 HydrophobicContact CD2-CG2 4.31Å; F432-V436 HydrophobicContact CE1-CG2 3.95Å; F432-V436 HydrophobicContact CE2-CG2 3.93Å; F432-V436 HydrophobicContact CG-CG2 4.49Å; F432-V436 HydrophobicContact CZ-CG2 3.74Å; F432-V436 VanDerWaalsContact O-CB 3.3Å; F432-V436 WeakPolarHBondContact O-CB 3.29Å; F432-V436 VanDerWaalsContact O-CG2 3.24Å; F432-V436 WeakPolarHBondContact O-CG2 3.42Å; F432-V436 PolarHBondContact O-N 2.92Å
433L93.4Very high91Very high106 Ų10696.3 Ų96.356%0.55549%0.486SS*.Hα-helixtrans-66.3-37.9174-79.3166.2000112.6A429 M430 S431 C437A429-L433 VanDerWaalsContact O-CB 3.27Å; A429-L433 WeakPolarHBondContact O-CB 3.22Å; A429-L433 WeakPolarHBondContact O-CD1 3.49Å; A429-L433 VanDerWaalsContact O-CG 3.23Å; A429-L433 WeakPolarHBondContact O-CG 3.41Å; A429-L433 PolarHBondContact O-N 3.43Å; M430-L433 PolarHBondContact O-N 2.95Å; S431-L433 VanDerWaalsContact C-N 3.29Å; S431-L433 PolarHBondContact O-N 3.25Å; L433-C437 VanDerWaalsContact O-CB 3.26Å; L433-C437 WeakPolarHBondContact O-CB 3.26Å; L433-C437 PolarHBondContact O-N 2.88Å; L433-C437 PolarHBondContact O-SG 3.35Å
434K91.4Very high91.1Very high112 Ų11297.8 Ų97.849%0.48749%0.487SS..Hα-helixtrans-61.2-57.8171.6-177.9179.6-179.7-73.20109.7M430 S431 V436 C437 E438M430-K434 WeakPolarHBondContact O-CB 3.44Å; M430-K434 PolarHBondContact O-N 3.01Å; S431-K434 CarbonylContact O-C 3.56Å; S431-K434 WeakPolarHBondContact O-CA 3.06Å; S431-K434 WeakPolarHBondContact O-CB 3.43Å; S431-K434 PolarHBondContact O-N 2.9Å; K434-V436 VanDerWaalsContact C-N 3.29Å; K434-V436 PolarHBondContact O-N 3.16Å; K434-C437 CarbonylContact O-C 3.56Å; K434-C437 PolarHBondContact O-N 2.87Å; K434-E438 IonicContact NZ-OE1 3.1Å; K434-E438 PolarHBondContact NZ-OE1 2.9Å; K434-E438 IonicContact NZ-OE2 2.72Å; K434-E438 PolarHBondContact NZ-OE2 3.44Å; K434-E438 VanDerWaalsContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 PolarHBondContact O-N 3.47Å
435D91.1Very high91.1Very high78 Ų7896.4 Ų96.442%0.41748%0.483SS..Hα-helixtrans-56.9-40.7-175.9-54.3-24.4000111.8S431 S439S431-D435 PolarHBondContact O-N 2.94Å; D435-S439 VanDerWaalsContact O-CB 3.29Å; D435-S439 WeakPolarHBondContact O-CB 3.27Å; D435-S439 PolarHBondContact O-N 2.88Å; D435-S439 PolarHBondContact O-OG 3.21Å
436V90.9Very high91.1Very high61 Ų6195 Ų9537%0.3748%0.48SS..Hα-helixtrans-73.2-30.1176.7170.50000112.8F432 K434 R440F432-V436 HydrophobicContact CD1-CG2 4.32Å; F432-V436 HydrophobicContact CD2-CG2 4.31Å; F432-V436 HydrophobicContact CE1-CG2 3.95Å; F432-V436 HydrophobicContact CE2-CG2 3.93Å; F432-V436 HydrophobicContact CG-CG2 4.49Å; F432-V436 HydrophobicContact CZ-CG2 3.74Å; F432-V436 VanDerWaalsContact O-CB 3.3Å; F432-V436 WeakPolarHBondContact O-CB 3.29Å; F432-V436 VanDerWaalsContact O-CG2 3.24Å; F432-V436 WeakPolarHBondContact O-CG2 3.42Å; F432-V436 PolarHBondContact O-N 2.92Å; K434-V436 VanDerWaalsContact C-N 3.29Å; K434-V436 PolarHBondContact O-N 3.16Å; V436-R440 WeakPolarHBondContact O-CB 3.4Å; V436-R440 PolarHBondContact O-N 3.46Å
437C86.6Confident91Very high80 Ų8098.4 Ų98.454%0.54149%0.487SS..Hα-helixtrans-80.9-36.8175.8-70.10000112.4L433 K434 M441L433-C437 VanDerWaalsContact O-CB 3.26Å; L433-C437 WeakPolarHBondContact O-CB 3.26Å; L433-C437 PolarHBondContact O-N 2.88Å; L433-C437 PolarHBondContact O-SG 3.35Å; K434-C437 CarbonylContact O-C 3.56Å; K434-C437 PolarHBondContact O-N 2.87Å; C437-M441 WeakPolarHBondContact O-CB 3.31Å; C437-M441 PolarHBondContact O-N 3.43Å
438E87.3Confident91.1Very high68 Ų6897.8 Ų97.832%0.31849%0.486SS..Hα-helixtrans-67.5-60.6178.7-161.7162.2-129.800109.3K434 R440 M441 E442K434-E438 IonicContact NZ-OE1 3.1Å; K434-E438 PolarHBondContact NZ-OE1 2.9Å; K434-E438 IonicContact NZ-OE2 2.72Å; K434-E438 PolarHBondContact NZ-OE2 3.44Å; K434-E438 VanDerWaalsContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 PolarHBondContact O-N 3.47Å; E438-R440 VanDerWaalsContact C-N 3.32Å; E438-R440 PolarHBondContact O-N 2.95Å; E438-M441 CarbonylContact O-C 3.56Å; E438-M441 WeakPolarHBondContact O-CA 3.41Å; E438-M441 WeakPolarHBondContact O-CB 3.47Å; E438-M441 PolarHBondContact O-N 3.5Å; E438-E442 VanDerWaalsContact C-OE2 3.25Å; E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 3.38Å
439S85.3Confident91Very high63 Ų6397.3 Ų97.344%0.44148%0.484SS..Hα-helixtrans-55.7-41.3176.858.60000113.5D435 M441 E442 D443D435-S439 VanDerWaalsContact O-CB 3.29Å; D435-S439 WeakPolarHBondContact O-CB 3.27Å; D435-S439 PolarHBondContact O-N 2.88Å; D435-S439 PolarHBondContact O-OG 3.21Å; S439-M441 VanDerWaalsContact C-N 3.29Å; S439-M441 PolarHBondContact O-N 2.93Å; S439-E442 WeakPolarHBondContact CA-OE2 3.23Å; S439-E442 PolarHBondContact N-OE2 2.9Å; S439-D443 WeakPolarHBondContact O-CB 3.28Å; S439-D443 PolarHBondContact O-N 3.39Å
440R87.6Confident91.1Very high185 Ų185100.3 Ų100.370%0.69849%0.494SS*.Hα-helixtrans-74.1-17.4176.9-172.2172.3178.3-107.4-1.5113.6V436 E438 R444V436-R440 WeakPolarHBondContact O-CB 3.4Å; V436-R440 PolarHBondContact O-N 3.46Å; E438-R440 VanDerWaalsContact C-N 3.32Å; E438-R440 PolarHBondContact O-N 2.95Å; R440-R444 WeakPolarHBondContact O-CB 3.3Å; R440-R444 VanDerWaalsContact O-CD 3.3Å; R440-R444 WeakPolarHBondContact O-CD 3.35Å; R440-R444 VanDerWaalsContact O-CG 3.22Å; R440-R444 WeakPolarHBondContact O-CG 3.29Å
441M89.3Confident91.1Very high107 Ų10798.1 Ų98.153%0.52749%0.491SS..Hα-helixtrans-86.2-43.9173-177.5162.362.800110.4C437 E438 S439 R444 L445C437-M441 WeakPolarHBondContact O-CB 3.31Å; C437-M441 PolarHBondContact O-N 3.43Å; E438-M441 CarbonylContact O-C 3.56Å; E438-M441 WeakPolarHBondContact O-CA 3.41Å; E438-M441 WeakPolarHBondContact O-CB 3.47Å; E438-M441 PolarHBondContact O-N 3.5Å; S439-M441 VanDerWaalsContact C-N 3.29Å; S439-M441 PolarHBondContact O-N 2.93Å; M441-R444 CarbonylContact O-C 3.58Å; M441-R444 WeakPolarHBondContact O-CA 3.22Å; M441-R444 WeakPolarHBondContact O-CB 3.37Å; M441-R444 PolarHBondContact O-N 2.88Å; M441-R444 VanDerWaalsContact O-N 3.08Å; M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 VanDerWaalsContact O-CD1 3.29Å; M441-L445 WeakPolarHBondContact O-CD1 3.39Å; M441-L445 PolarHBondContact O-N 3.19Å
442E89.6Confident91Very high98 Ų9899.8 Ų99.846%0.45849%0.494SS..Hα-helixtrans-61.1-52.2175.6-67.7162150.500110.8E438 S439 R444 L445 D446E438-E442 VanDerWaalsContact C-OE2 3.25Å; E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 3.38Å; S439-E442 WeakPolarHBondContact CA-OE2 3.23Å; S439-E442 PolarHBondContact N-OE2 2.9Å; E442-R444 PolarHBondContact O-N 2.89Å; E442-L445 WeakPolarHBondContact O-CA 3.43Å; E442-L445 PolarHBondContact O-N 3.35Å; E442-D446 PolarHBondContact O-N 2.99Å
443D90.4Very high90.9Very high82 Ų8297.1 Ų97.144%0.43949%0.486SS..Hα-helixtrans-61-10.9174.2-161.395.1000113S439 R447S439-D443 WeakPolarHBondContact O-CB 3.28Å; S439-D443 PolarHBondContact O-N 3.39Å; D443-R447 WeakPolarHBondContact O-CD 3.41Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-NE 3.33Å; D443-R447 IonicContact OD1-NH2 2.66Å; D443-R447 IonicContact OD2-CZ 3.84Å; D443-R447 IonicContact OD2-NE 3.26Å; D443-R447 PolarHBondContact OD2-NE 2.95Å; D443-R447 IonicContact OD2-NH2 3.68Å; D443-R447 PolarHBondContact OD2-NH2 2.89Å
444R90.8Very high90.8Very high140 Ų14096 Ų9653%0.52848%0.483SS..Hα-helixtrans-103.6-18.4171.2-77.9-17962.3-94.8-7.2114.5R440 M441 E442 L448R440-R444 WeakPolarHBondContact O-CB 3.3Å; R440-R444 VanDerWaalsContact O-CD 3.3Å; R440-R444 WeakPolarHBondContact O-CD 3.35Å; R440-R444 VanDerWaalsContact O-CG 3.22Å; R440-R444 WeakPolarHBondContact O-CG 3.29Å; M441-R444 CarbonylContact O-C 3.58Å; M441-R444 WeakPolarHBondContact O-CA 3.22Å; M441-R444 WeakPolarHBondContact O-CB 3.37Å; M441-R444 PolarHBondContact O-N 2.88Å; M441-R444 VanDerWaalsContact O-N 3.08Å; E442-R444 PolarHBondContact O-N 2.89Å; R444-L448 VanDerWaalsContact O-CB 3.24Å; R444-L448 WeakPolarHBondContact O-CB 3.36Å
445L92.5Very high90.9Very high89 Ų8996.4 Ų96.447%0.46649%0.49SS..Hα-helixtrans-80-49.3170.8-99.364000108.8M441 E442 R447 L448 D449M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 VanDerWaalsContact O-CD1 3.29Å; M441-L445 WeakPolarHBondContact O-CD1 3.39Å; M441-L445 PolarHBondContact O-N 3.19Å; E442-L445 WeakPolarHBondContact O-CA 3.43Å; E442-L445 PolarHBondContact O-N 3.35Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.93Å; L445-L448 CarbonylContact O-C 3.56Å; L445-L448 WeakPolarHBondContact O-CA 3.33Å; L445-L448 WeakPolarHBondContact O-CB 3.26Å; L445-L448 PolarHBondContact O-N 2.84Å; L445-D449 PolarHBondContact O-N 2.89Å
446D91.3Very high90.7Very high102 Ų102101.2 Ų101.255%0.54550%0.502SS..Hα-helixtrans-54-49.7177.9-62.1-14.2000111.4E442 L448 D449 D450E442-D446 PolarHBondContact O-N 2.99Å; D446-L448 PolarHBondContact O-N 3.45Å; D446-D449 PolarHBondContact O-N 3.45Å; D446-D450 WeakPolarHBondContact O-CB 3.19Å; D446-D450 PolarHBondContact O-N 3.41Å
447R92.1Very high90.4Very high162 Ų162103 Ų10361%0.61151%0.51SS*.Hα-helixtrans-64.3-22.7175.8-66.1175.2-162.2-91.1-2.8114D443 L445 A451D443-R447 WeakPolarHBondContact O-CD 3.41Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-NE 3.33Å; D443-R447 IonicContact OD1-NH2 2.66Å; D443-R447 IonicContact OD2-CZ 3.84Å; D443-R447 IonicContact OD2-NE 3.26Å; D443-R447 PolarHBondContact OD2-NE 2.95Å; D443-R447 IonicContact OD2-NH2 3.68Å; D443-R447 PolarHBondContact OD2-NH2 2.89Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.93Å; R447-A451 WeakPolarHBondContact O-CB 3.48Å; R447-A451 PolarHBondContact O-N 2.91Å
448L94.9Very high90.1Very high90 Ų90105.3 Ų105.347%0.47151%0.512SS..Hα-helixtrans-87.1-35.1179-180145.4000110.7R444 L445 D446 A451 I452R444-L448 VanDerWaalsContact O-CB 3.24Å; R444-L448 WeakPolarHBondContact O-CB 3.36Å; L445-L448 CarbonylContact O-C 3.56Å; L445-L448 WeakPolarHBondContact O-CA 3.33Å; L445-L448 WeakPolarHBondContact O-CB 3.26Å; L445-L448 PolarHBondContact O-N 2.84Å; D446-L448 PolarHBondContact O-N 3.45Å; L448-A451 PolarHBondContact O-N 3.49Å; L448-I452 HydrophobicContact CD2-CD1 3.61Å; L448-I452 HydrophobicContact CD2-CG1 4.47Å; L448-I452 HydrophobicContact CG-CD1 4.5Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å
449D93.6Very high89.5Confident93 Ų93105.9 Ų105.950%0.49753%0.529SS..Hα-helixtrans-71.6-38.4171.6-73.9-24.2000111.4L445 D446 A451 I452 L453L445-D449 PolarHBondContact O-N 2.89Å; D446-D449 PolarHBondContact O-N 3.45Å; D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 3.23Å; D449-I452 PolarHBondContact O-N 3.45Å; D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3.26Å
450D93.8Very high88.6Confident104 Ų104108 Ų10856%0.55654%0.539SS*.Hα-helixtrans-54.5-47.8165.4-91.4-19.9000111.1D446 I452 L453 V454D446-D450 WeakPolarHBondContact O-CB 3.19Å; D446-D450 PolarHBondContact O-N 3.41Å; D450-I452 PolarHBondContact O-N 3.33Å; D450-L453 WeakPolarHBondContact O-CB 3.26Å; D450-L453 PolarHBondContact O-N 2.99Å; D450-V454 WeakPolarHBondContact O-CG2 3.38Å; D450-V454 PolarHBondContact O-N 2.82Å
451A92.8Very high87.3Confident46 Ų46101.4 Ų101.438%0.3853%0.528SS..Hα-helixtrans-65.8-37.5178.700000112.1R447 L448 D449 L455R447-A451 WeakPolarHBondContact O-CB 3.48Å; R447-A451 PolarHBondContact O-N 2.91Å; L448-A451 PolarHBondContact O-N 3.49Å; D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 3.23Å; A451-L455 VanDerWaalsContact O-CB 3.26Å; A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 WeakPolarHBondContact O-CD1 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.86Å
452I91.8Very high85.5Confident89 Ų89100.6 Ų100.646%0.45653%0.534SS..Hα-helixtrans-65.4-41172.8-74.2168.2000110.7L448 D449 D450 L455 R456L448-I452 HydrophobicContact CD2-CD1 3.61Å; L448-I452 HydrophobicContact CD2-CG1 4.47Å; L448-I452 HydrophobicContact CG-CD1 4.5Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å; D449-I452 PolarHBondContact O-N 3.45Å; D450-I452 PolarHBondContact O-N 3.33Å; I452-L455 PolarHBondContact O-N 3.24Å; I452-R456 WeakPolarHBondContact O-CB 3.38Å; I452-R456 PolarHBondContact O-N 2.71Å
453L92Very high83.7Confident85 Ų85102 Ų10245%0.44555%0.549SS..Hα-helixtrans-62.9-47.8178-177.762.1000111.1D449 D450 R456 N457D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3.26Å; D450-L453 WeakPolarHBondContact O-CB 3.26Å; D450-L453 PolarHBondContact O-N 2.99Å; L453-R456 PolarHBondContact O-N 2.86Å; L453-N457 WeakPolarHBondContact O-CB 3.24Å; L453-N457 PolarHBondContact O-N 2.98Å; L453-N457 PolarHBondContact O-ND2 3.41Å
454V92.8Very high82Confident82 Ų82102.8 Ų102.850%0.49757%0.567SS.*Hα-helixtrans-61.2-48.5174.1172.50000111.1D450 R456 N457 H458D450-V454 WeakPolarHBondContact O-CG2 3.38Å; D450-V454 PolarHBondContact O-N 2.82Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.28Å; V454-N457 PolarHBondContact O-N 2.9Å; V454-H458 PolarHBondContact O-CD2 2.88Å; V454-H458 PolarHBondContact O-N 3.26Å
455L92.2Very high80Confident120 Ų120100.6 Ų100.663%0.62857%0.573SS**Hα-helixtrans-61.3-39.9178.4-75.9169.2000112.3A451 I452 H458 A459A451-L455 VanDerWaalsContact O-CB 3.26Å; A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 WeakPolarHBondContact O-CD1 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.86Å; I452-L455 PolarHBondContact O-N 3.24Å; L455-H458 PolarHBondContact O-N 3.32Å; L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 3.48Å
456R87.9Confident78Confident179 Ų179104 Ų10468%0.67559%0.591SS**Hα-helixtrans-64.6-44.5176.1-172178.4-173.3-175.41.5111.1I452 L453 V454 A459 V460I452-R456 WeakPolarHBondContact O-CB 3.38Å; I452-R456 PolarHBondContact O-N 2.71Å; L453-R456 PolarHBondContact O-N 2.86Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.28Å; R456-A459 PolarHBondContact O-N 3.46Å; R456-V460 WeakPolarHBondContact O-CB 3.15Å; R456-V460 VanDerWaalsContact O-CG2 3.3Å; R456-V460 WeakPolarHBondContact O-CG2 3.02Å; R456-V460 PolarHBondContact O-N 3.14Å
457N84.4Confident75.6Confident98 Ų98103.8 Ų103.852%0.52460%0.595SS.*Hα-helixtrans-63.2-41.6176.8-71.2-23000111.9L453 V454 G461L453-N457 WeakPolarHBondContact O-CB 3.24Å; L453-N457 PolarHBondContact O-N 2.98Å; L453-N457 PolarHBondContact O-ND2 3.41Å; V454-N457 PolarHBondContact O-N 2.9Å; N457-G461 WeakPolarHBondContact O-CA 3.37Å; N457-G461 PolarHBondContact O-N 3.24Å
458H79.8Confident73.7Confident129 Ų129100.6 Ų100.660%0.59760%0.597SS**Hα-helixtrans-70.8-39.4177.4-79.4-122.5000113V454 L455 S462V454-H458 PolarHBondContact O-CD2 2.88Å; V454-H458 PolarHBondContact O-N 3.26Å; L455-H458 PolarHBondContact O-N 3.32Å; H458-S462 PolarHBondContact O-OG 2.86Å
459A73.9Confident71.4Confident80 Ų80102.5 Ų102.566%0.66161%0.608SS**Hα-helixtrans-68.2-34.4177.900000113L455 R456L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 3.48Å; R456-A459 PolarHBondContact O-N 3.46Å
460V67Low69.5Low107 Ų107104.8 Ų104.865%0.64862%0.619SS**Hα-helixtrans-85.9-30.4177.1177.10000112.1R456 S462R456-V460 WeakPolarHBondContact O-CB 3.15Å; R456-V460 VanDerWaalsContact O-CG2 3.3Å; R456-V460 WeakPolarHBondContact O-CG2 3.02Å; R456-V460 PolarHBondContact O-N 3.14Å; V460-S462 PolarHBondContact O-N 2.84Å
461G60.8Low67.1Low47 Ų47107.8 Ų107.849%0.48563%0.629SS.*Hα-helixtrans-77.7-10-172.400000116.6N457N457-G461 WeakPolarHBondContact O-CA 3.37Å; N457-G461 PolarHBondContact O-N 3.24Å
462S51.5Low64.7Low91 Ų91110.8 Ų110.864%0.63665%0.647SS**THydrogen-bonded Turntrans-99.914.2-163.1-60.50000115.6H458 V460H458-S462 PolarHBondContact O-OG 2.86Å; V460-S462 PolarHBondContact O-N 2.84Å
463T51.3Low62.6Low128 Ų128114.2 Ų114.279%0.78567%0.666SS**THydrogen-bonded Turntrans-118.40.7178.3550000114.8
464A54.3Low60.4Low97 Ų97117.9 Ų117.980%0.80269%0.685SS**SBendtrans-101.94.3-17500000115.1
465S49.4Very low57.8Low94 Ų94117.6 Ų117.666%0.65770%0.699SS**  trans-134.436.3-168.254.30000115P467S465-P467 WeakPolarHBondContact O-CD 3.28Å
466L50.9Low55.2Low161 Ų161120.8 Ų120.884%0.84371%0.71SS**  trans-69.1126.9157.7-71.2177.6000109.1S468L466-S468 PolarHBondContact O-N 3.08Å
467P41.1Very low52.7Low98 Ų98117 Ų11764%0.63672%0.717SS**  trans-64.7131.4179.6-23.434.5000112.8S465 D469S465-P467 WeakPolarHBondContact O-CD 3.28Å; P467-D469 PolarHBondContact O-N 2.9Å; P467-D469 VanDerWaalsContact O-N 3.15Å
468S50.9Low50.5Low95 Ų95121.5 Ų121.566%0.66474%0.735SS**G310 helixtrans-63.7-18.6-177.8-49.30000114.6L466 I470 H471L466-S468 PolarHBondContact O-N 3.08Å; S468-I470 VanDerWaalsContact C-N 3.3Å; S468-I470 PolarHBondContact O-N 2.88Å; S468-H471 PolarHBondContact O-N 3.29Å
469D48.1Very low48.4Very low130 Ų130123.3 Ų123.370%0.69575%0.749SS**G310 helixtrans-77.7-5.8-157.4-58.9-49.6000115.5P467 H471P467-D469 PolarHBondContact O-N 2.9Å; P467-D469 VanDerWaalsContact O-N 3.15Å; D469-H471 VanDerWaalsContact C-N 3.34Å
470I51.8Low46.5Very low140 Ų140122.9 Ų122.972%0.71875%0.753SS**G310 helixtrans-75.9-24175.1-59.7-179.7000111.5S468 S472 L473S468-I470 VanDerWaalsContact C-N 3.3Å; S468-I470 PolarHBondContact O-N 2.88Å; I470-S472 PolarHBondContact O-N 2.91Å; I470-L473 PolarHBondContact O-N 2.97Å
471H44.8Very low45.6Very low168 Ų168123.2 Ų123.278%0.77876%0.757SS**G310 helixtrans-68.2-17.6-177-88-85.6000114.8S468 D469 L473S468-H471 PolarHBondContact O-N 3.29Å; D469-H471 VanDerWaalsContact C-N 3.34Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.01Å
472S42.3Very low44.4Very low108 Ų108128.1 Ų128.176%0.75577%0.771SS**G310 helixtrans-80-6.1179.8-62.40000114.6I470I470-S472 PolarHBondContact O-N 2.91Å
473L46.6Very low43.6Very low162 Ų162129.4 Ų129.485%0.84878%0.775SS**G310 helixtrans-109.4-2-175.8-87.2166.4000115.4I470 H471I470-L473 PolarHBondContact O-N 2.97Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.01Å
474L47.3Very low42.9Very low162 Ų162128.8 Ų128.885%0.84877%0.771SS**SBendtrans-114.89.7176.7-163.353.6000113.1Q476L474-Q476 VanDerWaalsContact C-N 3.29Å; L474-Q476 PolarHBondContact O-N 3.25Å; L474-Q476 VanDerWaalsContact O-N 3.16Å
475G36.9Very low42.2Very low76 Ų76131.9 Ų131.978%0.78477%0.772SS**  trans-80.423.4-17400000116.9
476Q38.8Very low41.5Very low187 Ų187130.7 Ų130.787%0.87477%0.774SS**SBendtrans-117.598.8178.4-160.2166.910.900110.8L474L474-Q476 VanDerWaalsContact C-N 3.29Å; L474-Q476 PolarHBondContact O-N 3.25Å; L474-Q476 VanDerWaalsContact O-N 3.16Å
477A35.3Very low42Very low100 Ų100129 Ų12983%0.82677%0.774SS**  trans-71.1131.4-166.200000114.3
478Q37.2Very low41.5Very low192 Ų192132.1 Ų132.190%0.89778%0.784SS**  trans-136.4154.6151.9-64.8-164.711.900109.5
479N35.8Very low40.9Very low167 Ų167136.4 Ų136.489%0.89379%0.791SS**  trans-67.1157.4-160.4-56.8-39.4000114.9
480G34.9Very low40.9Very low71 Ų71136.4 Ų136.473%0.73280%0.799SS**  trans-74.3-161.5168.200000113.7
481P47.2Very low40Very low114 Ų114133.8 Ų133.874%0.7480%0.798SS**  cis-142.3-179.824.240.6-20.7000117.6
482I36.8Very low39.6Very low150 Ų150131.7 Ų131.777%0.76980%0.802SS**  trans85.7136.6138.7-100.1166000121.6
483T34.5Very low39Very low118 Ų118131.4 Ų131.472%0.72481%0.807SS**  trans85.9136.2153.238.20000126.6
484T35Very low38.5Very low114 Ų114131.2 Ų131.270%0.69981%0.806SS**  trans88.8110.3136.244.80000124.9
485I40.9Very low38.1Very low163 Ų163129.7 Ų129.784%0.83680%0.803SS**  54.2110.5120.6-55171.8000119.9
486G35.3Very low38.5Very low68 Ų68131.3 Ų131.370%0.70180%0.799SS**  90164.4109.400000120.1
487P60.3Low38.1Very low127 Ų127127.4 Ų127.483%0.82579%0.793SS**  trans-108.5158.7-168.439.9-33.2000114.7
488N31.4Very low38Very low162 Ų162134.3 Ų134.387%0.86680%0.797SS**  trans-160.9156.9140.9-135.4-13.8000116.3
489F37.3Very low38Very low185 Ų185131.5 Ų131.581%0.81179%0.793SS**  trans-81.9172.4162.7-91.8-85.5000109.9
490P47.8Very low38Very low130 Ų130128.2 Ų128.284%0.84479%0.789SS**  -149.8-156.350.342.9-18.9000116.4
491A32.9Very low37.9Very low85 Ų85129.7 Ų129.770%0.70280%0.795SS**  trans-127.5173.9-160.200000115.7
492S36.6Very low37.3Very low125 Ų125132 Ų13287%0.87480%0.798SS**  trans75.8119.2154.9-59.80000121.1
493A31.1Very low37Very low102 Ų102133.4 Ų133.484%0.84380%0.801SS**  trans-154.2165.7151.300000109.9
494L36.1Very low36.8Very low158 Ų158131.5 Ų131.583%0.82781%0.805SS**  trans-141.4141.8-162.2-77.2167.7000114.9
495V37.2Very low36.6Very low130 Ų130128.9 Ų128.979%0.78880%0.801SS**  trans69.8163.81421710000116.5
496P46.7Very low36.2Very low110 Ų110128.8 Ų128.871%0.71480%0.802SS**  cis-126.5153.7-11.826.4-4.8000118.6
497S29.1Very low36.2Very low105 Ų105133 Ų13373%0.73481%0.808SS**  trans22.4137.4131.2-165.60000124.8
498R33.5Very low34.7Very low244 Ų244130.6 Ų130.692%0.92180%0.8SS**  trans-150.8167.9145.4-68.3-161.3-175.3-83.2-7.7111.8
499T37.3Very low34.7Very low133 Ų133127.8 Ų127.882%0.81680%0.798SS**  trans-144.6152.7-164.4-7.40000116.3
500A36.9Very low34.2Very low98 Ų98123.2 Ų123.281%0.8179%0.789SS**  trans69.2129.2145.900000123.5
501A32.2Very low33.5Very low102 Ų102124.4 Ų124.484%0.84379%0.788SS**  trans165162.314700000109.9
502M34.5Very low33.3Very low164 Ų164125.9 Ų125.981%0.80879%0.789SS**  cis-173.3164.8-45.3-129.6-69.6168.200107.4
503Q31Very low33Very low178 Ų178125.7 Ų125.783%0.83278%0.778SS**  trans62.8151.7-175.7-105.465.630.100115.3
504G30.1Very low32.9Very low78 Ų78125.1 Ų125.180%0.80477%0.767SS**  cis143.5143.8-0.500000109.1
505G30.1Very low32.8Very low60 Ų60126.1 Ų126.162%0.61977%0.767SS**  cis-172.3178.7-3.200000109.5
506D33.8Very low32.3Very low160 Ų160123.9 Ų123.986%0.85677%0.771SS**  trans28.1142.3141.2-20.4-44.5000120.5
507D34Very low31.4Very low156 Ų156122.4 Ų122.483%0.83478%0.775SS**  cis-165.5170.96.8-149.4-16000113.4
508A30.2Very low31.6Very low78 Ų78125.5 Ų125.565%0.64578%0.783SS**  trans63.6126.2143.200000124.8
509A31.1Very low32Very low102 Ų102119.9 Ų119.984%0.84378%0.778SS**  trans72.4163140.900000118.8
510S26.2Very low31.6Very low89 Ų89119 Ų11962%0.62278%0.777SS**  cis-162.5146.4-5.4105.40000111.6
511L33.1Very low31.4Very low155 Ų155119.2 Ų119.281%0.81278%0.779SS**  trans59.4179.8152.9-56.6175000116
512T29.3Very low31.2Very low117 Ų117117.9 Ų117.972%0.71878%0.776SS**  cis-152133.2-16.97.50000105.9
513N28.6Very low30.9Very low121 Ų121115.6 Ų115.665%0.64778%0.776SS**  72.710083.4-168.861.9000118.1
514S30.5Very low30.8Very low89 Ų89113.2 Ų113.262%0.62277%0.773SS**  trans79.8165.4132.9-68.30000123.9
515H33.2Very low30.7Very low179 Ų179114.6 Ų114.683%0.82977%0.77SS**  trans84.1135.5169.9-49.2-77.5000117.1
516G28Very low30.5Very low83 Ų83117 Ų11786%0.85678%0.778SS**  cis152.8143.2-11.700000113.9
517G26.3Very low30.3Very low79 Ų79116.2 Ų116.281%0.81478%0.779SS**  trans154.6119.8169.300000116.1
518L33.7Very low30.1Very low170 Ų170117.6 Ų117.689%0.8978%0.781SS**  trans-128.9146.9160.3-70.3175.3000107.2
519P41.3Very low30.1Very low127 Ų127121.5 Ų121.583%0.82579%0.79SS**  -139175.793.714.59.2000112.6
520S29.8Very low29.9Very low114 Ų114122.6 Ų122.680%0.79778%0.782SS**  cis-169.6172-19.1-177.20000108.7
521A32.7Very low30Very low103 Ų103126.8 Ų126.885%0.85179%0.791SS**  trans67.1146.1176.400000117
522G28.8Very low29.7Very low74 Ų74127.5 Ų127.576%0.76379%0.79SS**  cis-175.9144.9-7.600000111.9
523S28.1Very low29.8Very low116 Ų116127.4 Ų127.481%0.81179%0.789SS**  trans-71163.8-177.5-440000112.6
524T27.4Very low29.8Very low128 Ų128130.1 Ų130.179%0.78580%0.798SS**  -165.2144.167.145.10000116.3
525S28.2Very low29.8Very low106 Ų106129.7 Ų129.774%0.74180%0.8SS**  trans12.5125146.861.20000123.8
526S27.2Very low29.6Very low112 Ų112131 Ų13178%0.78380%0.803SS**  51.1121.9113.9-172.30000122.5
527T29.8Very low29.8Very low143 Ų143138.8 Ų138.888%0.87781%0.807SS**  -163.1157.4125.622.70000111.8
528E28.9Very low29.9Very low184 Ų184138 Ų13886%0.8680%0.798SS**  trans-70.8159.8164.2-61.9157.990.600111.7
529L29.6Very low29.8Very low161 Ų161138.2 Ų138.284%0.84380%0.799SS**  trans-162.8146.7135.8-112.3176.6000113
530N27.2Very low29.2Very low125 Ų125139 Ų13967%0.66880%0.802SS**  trans-88.1145.1174.6170.235.5000111.1
531H28.9Very low29.1Very low177 Ų177139.4 Ų139.482%0.81981%0.805SS**  trans-152.6147.1158-87.1104000111.5
532Q27.1Very low29Very low169 Ų169138.5 Ų138.579%0.7980%0.797SS**  trans-135.3134.2-173.9-172.2-1787.400111.1
533V31.6Very low29Very low116 Ų116142.9 Ų142.970%0.70380%0.802SS**  trans49116154174.40000120.1
534E27.9Very low29Very low178 Ų178142.8 Ų142.883%0.83280%0.802SS**  -177.4139.5122.4-100.9174.8-169.800108.9
535A30.8Very low29.2Very low79 Ų79139.7 Ų139.765%0.65380%0.795SS**  cis90.166.36.700000118.9
536F28.8Very low29.2Very low207 Ų207144.2 Ų144.291%0.90881%0.805SS**  trans-155.6121149.7-116-70.2000116.7
537R32.7Very low29.3Very low247 Ų247146.5 Ų146.593%0.93281%0.807SS**  trans-176.5137.1154.8-174.8-174.2-65.7-128.14.1106.9
538G27.2Very low29.7Very low61 Ų61145.1 Ų145.163%0.62980%0.8SS**  cis170.187.9-1.500000111.9
539L32.6Very low29.7Very low175 Ų175140.4 Ų140.492%0.91679%0.792SS**  trans52.9106.3150.3-63.1173.6000122.2
540T27.1Very low29.5Very low144 Ų144138.8 Ų138.888%0.88379%0.789SS**  trans-152.2141.8141.848.30000107.4
541S28Very low29.6Very low122 Ų122140.3 Ų140.385%0.85380%0.797SS**  cis-153.9-168.6-2.5-162.40000110.1
542A30.5Very low29.4Very low84 Ų84139.3 Ų139.369%0.69479%0.793SS**  trans-81.5172.4170.600000112.1
543L29.5Very low29.4Very low166 Ų166138 Ų13887%0.86979%0.79SS**  cis-148.9175.45.2-15460.3000105.5
544S28.4Very low29.4Very low114 Ų114140.3 Ų140.380%0.79779%0.791SS**  cis-156.3-155.317.1-164.80000110.2
545G30.6Very low29.6Very low63 Ų63139.8 Ų139.865%0.64979%0.792SS**  trans-160.1-164.4174.300000117.1
546Q28.8Very low29.5Very low201 Ų201142.8 Ų142.894%0.93979%0.792SS**  trans90.2151.1179.3-64.8-174.6-98.900119.6
547I29.5Very low29.8Very low161 Ų161140.4 Ų140.483%0.82678%0.782SS**  trans-116.3173.4-17120.6169.4000108.4
548P38.8Very low29.7Very low113 Ų113138 Ų13873%0.73478%0.781SS**  cis-152160.733.142.7-20.9000121.5
549A28.8Very low30.1Very low85 Ų85141 Ų14170%0.70278%0.778SS**  trans67.6154.713500000125.6
550T24.8Very low30.5Very low127 Ų127141 Ų14178%0.77977%0.771SS**  trans100.3133.8153.6710000120.9
551L29.1Very low31.1Very low158 Ų158139.8 Ų139.883%0.82776%0.759SS**  trans59.9165.5163-58.9169.7000117.9
552E25.6Very low31.9Very low156 Ų156140.6 Ų140.673%0.72975%0.754SS**  cis177.4-178.9-39.2-154.8-161147.600105.4
553L27.5Very low32.6Very low141 Ų141144.8 Ų144.874%0.73876%0.762SS**  trans7695166.7-59.2173.1000119.6
554K30.8Very low33.1Very low165 Ų165146.2 Ų146.272%0.71776%0.763SS**  3.4123.6124.4-177.6-168.6174.1-154.80116E556K554-E556 WeakPolarHBondContact CE-OE2 3.47Å; K554-E556 IonicContact NZ-OE2 2.81Å; K554-E556 PolarHBondContact NZ-OE2 2.87Å
555I32.5Very low33.4Very low166 Ų166147.5 Ų147.585%0.85176%0.761SS**  trans-109.4143.7161.1-73.6178.1000109.9
556E27.8Very low33.6Very low142 Ų142148.5 Ų148.566%0.66476%0.758SS**  trans-112.5161.6-175.2-167.6162.7113.400111.2K554 Q558K554-E556 WeakPolarHBondContact CE-OE2 3.47Å; K554-E556 IonicContact NZ-OE2 2.81Å; K554-E556 PolarHBondContact NZ-OE2 2.87Å; E556-Q558 PolarHBondContact O-N 3.45Å
557K36.4Very low34Very low157 Ų157146.9 Ų146.968%0.68376%0.755SS**  trans-34.2127.1171.3-177.9-160.3-177.5-154.10112.9E559K557-E559 WeakPolarHBondContact CE-OE1 3.48Å; K557-E559 IonicContact NZ-OE1 3.72Å; K557-E559 PolarHBondContact NZ-OE1 2.97Å; K557-E559 IonicContact NZ-OE2 3.06Å
558Q30.6Very low34.2Very low196 Ų196143.8 Ų143.892%0.91675%0.748SS**  trans-133.3139.2143.4-165.215210.400112.4E556E556-Q558 PolarHBondContact O-N 3.45Å
559E35.6Very low34.3Very low124 Ų124145.9 Ų145.958%0.57975%0.753SS**  trans-101.8141.3-170.7167.6179.5-88.700108.5K557K557-E559 WeakPolarHBondContact CE-OE1 3.48Å; K557-E559 IonicContact NZ-OE1 3.72Å; K557-E559 PolarHBondContact NZ-OE1 2.97Å; K557-E559 IonicContact NZ-OE2 3.06Å
560K39.4Very low34.8Very low175 Ų175149 Ų14976%0.76176%0.757SS**  trans-152.4110.1158.3-171.8169.6-172.1-131.80111.6D562K560-D562 WeakPolarHBondContact CE-OD2 3.43Å; K560-D562 IonicContact NZ-OD2 2.69Å; K560-D562 PolarHBondContact NZ-OD2 3.08Å
561D40.2Very low35.9Very low119 Ų119152.2 Ų152.264%0.63676%0.761SS**  trans-72157161.5-53.8-70.9000111.3
562D44.2Very low36.3Very low140 Ų140150 Ų15075%0.74976%0.758SS**  trans-155.6125.4134.9-93.3-47.1000107.4K560K560-D562 WeakPolarHBondContact CE-OD2 3.43Å; K560-D562 IonicContact NZ-OD2 2.69Å; K560-D562 PolarHBondContact NZ-OD2 3.08Å
563M45.4Very low37.3Very low172 Ų172150.1 Ų150.185%0.84776%0.764SS**  trans-88.8150.4-175.8-70.1171.8-81.400111.9
564H41.3Very low38.2Very low196 Ų196150.6 Ų150.691%0.90777%0.768SS**  trans-145.5149.7137.2-134.2-82.6000112.3
565D34.5Very low38.7Very low141 Ų141149.7 Ų149.775%0.75477%0.766SS**  trans-115.3176-159.4-172.619.4000112.4
566S33.8Very low39.4Very low83 Ų83146.2 Ų146.258%0.5876%0.756SS**  trans97.7106.1158.7-63.50000120.2
567L37.5Very low40.4Very low167 Ų167145.2 Ų145.287%0.87476%0.755SS**  trans68.3138.6133-52.7173.8000118.1
568S34.1Very low40.8Very low96 Ų96147.5 Ų147.567%0.67176%0.76SS**  cis-154.6153.726.344.90000112.6
569D41.5Very low41.5Very low157 Ų157149.2 Ų149.284%0.8476%0.758SS**  trans-80.5132.4165-154.6-14.7000108.7
570N37.9Very low42Very low150 Ų150150 Ų15080%0.80277%0.766SS**  trans-154.3133.8173-111.7-44.5000111
571K47.5Very low42Very low196 Ų196149.9 Ų149.985%0.85277%0.77SS**  trans-125.1116.7-164.1-179.6179.7-178.6176.10110.6
572S39.2Very low41.8Very low111 Ų111152.7 Ų152.778%0.77678%0.777SS**  trans-151.7120172.455.40000111
573D46.2Very low41.6Very low158 Ų158152.6 Ų152.685%0.84578%0.781SS**  trans-59.3144.1147.4-59.4-77.8000109
574D44.9Very low41.3Very low152 Ų152149.3 Ų149.381%0.81377%0.773SS**  -164.4163.1121-154.513000112.2
575E42Very low41.6Very low146 Ų146152 Ų15268%0.68278%0.775SS**  trans-7.3122.9170.3-78.6-80.877.800121.2
576S46.5Very low41.7Very low92 Ų92150.4 Ų150.464%0.64377%0.771SS**  39.2141.4107.6-51.70000122.9
577D49.4Very low42.5Very low122 Ų122150.1 Ų150.165%0.65278%0.781SS**  trans97.7142149.1-158.921.2000119
578R45.4Very low42.4Very low204 Ų204149.9 Ų149.977%0.7778%0.776SS**  trans70.3119.9166-38.5-166.9179.2160.213.4116.6
579R45.9Very low43Very low232 Ų232156.2 Ų156.288%0.87579%0.785SS**  cis-158.8167.622.1-67.2179.2-94.3-153.2-8.8112.8
580D44.6Very low43Very low141 Ų141151.4 Ų151.475%0.75476%0.761SS**  trans-35.8135.7162.9-71.3-99.7000116.9
581M39.2Very low43.3Very low172 Ų172150.5 Ų150.585%0.84777%0.766SS**  trans-148.679.1132.3-97.8-52.3111.700112.6
582K37.8Very low43.5Very low178 Ų178147.9 Ų147.977%0.77476%0.76SS**  trans49.880.6134.4-167.1139.5179.6171.40118.8P584K582-P584 WeakPolarHBondContact O-CD 3.14Å
583T38.9Very low43.9Very low138 Ų138146 Ų14685%0.84774%0.744SS**  trans-68.9120.2161-38.10000110.8R585T583-R585 PolarHBondContact O-N 3.48Å
584P39.1Very low44Very low103 Ų103144.9 Ų144.967%0.66973%0.734SS**  trans-77.4105.2176.530.2-32.4000110.7K582 T586K582-P584 WeakPolarHBondContact O-CD 3.14Å; P584-T586 PolarHBondContact O-N 3.09Å
585R46.9Very low44.4Very low252 Ų252140.7 Ų140.795%0.95171%0.711SS**  trans-6590.3176.1-174.4-172.5-175.1-154.14.4111.2T583T583-R585 PolarHBondContact O-N 3.48Å
586T38.2Very low45.1Very low108 Ų108142 Ų14266%0.66372%0.717SS**  trans-110.8113.4173.8-50.70000109.4P584 Q588P584-T586 PolarHBondContact O-N 3.09Å; T586-Q588 HydrophobicContact CG2-CG 4.43Å
587G49.6Very low45.8Very low78 Ų78145.3 Ų145.380%0.80473%0.728SS**  trans-77.7125.217200000110.8
588Q35.7Very low46.5Very low162 Ų162141.5 Ų141.576%0.75771%0.708SS**  trans-132.7154.1171.3-83.3-174.7-3900111.4T586T586-Q588 HydrophobicContact CG2-CG 4.43Å
589R46.8Very low48Very low229 Ų229135.3 Ų135.386%0.86469%0.69SS**  trans-79.2115.4178.6-63.6142.152.8-158.5-4.3108.8
590T41.3Very low49.8Very low56 Ų56129.1 Ų129.134%0.34468%0.68SS.*  trans-122.812.4-175.352.70000115.5I592 T593 E594T590-I592 PolarHBondContact O-N 2.84Å; T590-T593 PolarHBondContact O-N 3Å; T590-E594 WeakPolarHBondContact CB-OE1 3.5Å; T590-E594 PolarHBondContact O-N 2.82Å; T590-E594 PolarHBondContact OG1-OE1 3.43Å
591S44.6Very low51.7Low130 Ų130129.2 Ų129.291%0.90968%0.675SS**THydrogen-bonded Turntrans-67.830.4169.772.90000114.4
592I51.4Low54.1Low142 Ų142126.3 Ų126.373%0.72866%0.66SS**THydrogen-bonded Turntrans-162.2-12.7-172.1-178.1164.2000111.4T590T590-I592 PolarHBondContact O-N 2.84Å
593T47.1Very low56.7Low72 Ų72122.1 Ų122.144%0.44264%0.642SS.*THydrogen-bonded Turntrans-116.3-22.4-169.3-44.80000113.4T590 D595T590-T593 PolarHBondContact O-N 3Å; T593-D595 PolarHBondContact O-N 2.87Å
594E49.1Very low59.2Low133 Ų133118.6 Ų118.662%0.62163%0.626SS**THydrogen-bonded Turntrans-7616177.8-68.9163.6-131.800113.8T590 L598T590-E594 WeakPolarHBondContact CB-OE1 3.5Å; T590-E594 PolarHBondContact O-N 2.82Å; T590-E594 PolarHBondContact OG1-OE1 3.43Å; E594-L598 WeakPolarHBondContact O-CD1 3.42Å
595D53.9Low61.8Low64 Ų64117.1 Ų117.134%0.34261%0.61SS.*THydrogen-bonded Turntrans-112.42.2-175.3-147.455000112.9T593 L598 K603 R606T593-D595 PolarHBondContact O-N 2.87Å; D595-L598 WeakPolarHBondContact OD1-CD1 3.38Å; D595-K603 VanDerWaalsContact CG-NZ 3.29Å; D595-K603 PolarHBondContact O-NZ 3.21Å; D595-K603 IonicContact OD1-NZ 2.83Å; D595-K603 WeakPolarHBondContact OD2-CE 3.34Å; D595-K603 IonicContact OD2-NZ 2.75Å; D595-K603 PolarHBondContact OD2-NZ 3.38Å; D595-R606 IonicContact OD1-NH1 2.71Å; D595-R606 PolarHBondContact OD1-NH1 3.17Å
596E56.3Low64Low173 Ų173111.1 Ų111.181%0.80859%0.588SS**SBendtrans-91.8-37.9173.6-66.1-157.8122.200113.6L598E596-L598 PolarHBondContact O-N 3.02Å
597D59.8Low66.7Low163 Ų163108.4 Ų108.487%0.87257%0.568SS**SBendtrans-85.40.6-177.5-75.3-43.6000114.7
598L64.9Low68.9Low42 Ų42111.2 Ų111.222%0.2255%0.554CS.*SBendtrans-78.4127.9-179.1-66.4169.7000111.3E594 D595 E596E594-L598 WeakPolarHBondContact O-CD1 3.42Å; D595-L598 WeakPolarHBondContact OD1-CD1 3.38Å; E596-L598 PolarHBondContact O-N 3.02Å
599N78.1Confident71.9Confident73 Ų73109 Ų10939%0.3954%0.543SS..  trans-50.6129.8172.5173.113.2000109.3E601 Q602 K603N599-E601 PolarHBondContact ND2-OE2 2.85Å; N599-E601 PolarHBondContact O-N 2.63Å; N599-E601 PolarHBondContact OD1-N 3.3Å; N599-Q602 HydrophobicContact CB-CG 4.2Å; N599-Q602 WeakPolarHBondContact O-CB 3.33Å; N599-Q602 PolarHBondContact O-N 2.87Å; N599-K603 PolarHBondContact O-N 3.04Å
600P81.8Confident74.3Confident103 Ų103105.6 Ų105.667%0.66953%0.531SS*.Hα-helixtrans-50.3-29.2-178.614.9-31.4000114.5K603 A604P600-K603 PolarHBondContact O-N 2.81Å; P600-A604 WeakPolarHBondContact O-CB 3.34Å; P600-A604 PolarHBondContact O-N 2.9Å
601E85.9Confident77Confident142 Ų142110.5 Ų110.566%0.66454%0.543SS*.Hα-helixtrans-63.7-46.6172.5-173.1173.8-150.400113.3N599 K603 A604 E605N599-E601 PolarHBondContact ND2-OE2 2.85Å; N599-E601 PolarHBondContact O-N 2.63Å; N599-E601 PolarHBondContact OD1-N 3.3Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 3.24Å; E601-A604 WeakPolarHBondContact O-CB 3.46Å; E601-A604 PolarHBondContact O-N 3.28Å; E601-E605 PolarHBondContact O-N 2.85Å
602Q89.7Confident79.5Confident112 Ų112108.9 Ų108.952%0.52352%0.522SS..Hα-helixtrans-63.8-36.7175.6-65.9173-35.100111.4N599 E605 R606N599-Q602 HydrophobicContact CB-CG 4.2Å; N599-Q602 WeakPolarHBondContact O-CB 3.33Å; N599-Q602 PolarHBondContact O-N 2.87Å; Q602-E605 PolarHBondContact O-N 2.77Å; Q602-R606 WeakPolarHBondContact O-CB 3.29Å; Q602-R606 PolarHBondContact O-N 2.79Å
603K90.8Very high81.7Confident90 Ų90104.1 Ų104.139%0.39150%0.504SS..Hα-helixtrans-67.9-37176-160.6164.1-164.8159.90111.8D595 N599 P600 E601 E607D595-K603 VanDerWaalsContact CG-NZ 3.29Å; D595-K603 PolarHBondContact O-NZ 3.21Å; D595-K603 IonicContact OD1-NZ 2.83Å; D595-K603 WeakPolarHBondContact OD2-CE 3.34Å; D595-K603 IonicContact OD2-NZ 2.75Å; D595-K603 PolarHBondContact OD2-NZ 3.38Å; N599-K603 PolarHBondContact O-N 3.04Å; P600-K603 PolarHBondContact O-N 2.81Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 3.24Å; K603-E607 PolarHBondContact O-N 3.16Å
604A91.6Very high84.2Confident63 Ų63105.7 Ų105.752%0.52151%0.51SS..Hα-helixtrans-67.1-42.2173.300000112.3P600 E601 E607 R608P600-A604 WeakPolarHBondContact O-CB 3.34Å; P600-A604 PolarHBondContact O-N 2.9Å; E601-A604 WeakPolarHBondContact O-CB 3.46Å; E601-A604 PolarHBondContact O-N 3.28Å; A604-E607 PolarHBondContact O-N 3.44Å; A604-R608 PolarHBondContact O-N 3.2Å
605E93.7Very high86.5Confident72 Ų72103.1 Ų103.134%0.33650%0.5SS..Hα-helixtrans-68.7-42.7178.9-167.556.6-14100111.8E601 Q602 E607 R608 E609E601-E605 PolarHBondContact O-N 2.85Å; Q602-E605 PolarHBondContact O-N 2.77Å; E605-E607 VanDerWaalsContact C-N 3.26Å; E605-E607 PolarHBondContact O-N 3.36Å; E605-R608 CarbonylContact O-C 3.51Å; E605-R608 WeakPolarHBondContact O-CA 3.29Å; E605-R608 VanDerWaalsContact O-CB 3.31Å; E605-R608 WeakPolarHBondContact O-CB 3.08Å; E605-R608 PolarHBondContact O-N 3.18Å; E605-R608 WeakPolarHBondContact OE1-CD 3.43Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.9Å; E605-R608 IonicContact OE1-NH1 3.82Å; E605-R608 PolarHBondContact OE1-NH1 3.45Å; E605-R608 WeakPolarHBondContact OE2-CD 3.41Å; E605-R608 IonicContact OE2-CZ 3.55Å; E605-R608 IonicContact OE2-NH1 2.7Å; E605-R608 PolarHBondContact OE2-NH1 2.85Å; E605-E609 PolarHBondContact O-N 3.24Å
606R92.9Very high88.6Confident127 Ų127102.5 Ų102.548%0.47950%0.504SS..Hα-helixtrans-56.7-39.2172.6-172.3-169.7-70.7162-3.7112.2D595 Q602 R610D595-R606 IonicContact OD1-NH1 2.71Å; D595-R606 PolarHBondContact OD1-NH1 3.17Å; Q602-R606 WeakPolarHBondContact O-CB 3.29Å; Q602-R606 PolarHBondContact O-N 2.79Å; R606-R610 WeakPolarHBondContact O-CB 3.31Å; R606-R610 PolarHBondContact O-N 3.43Å
607E95.9Very high90.7Very high50 Ų50102.2 Ų102.223%0.23450%0.496CS..Hα-helixtrans-72.4-32.1175.5176.260.5-175.700112.5K603 A604 E605 R610 R611K603-E607 PolarHBondContact O-N 3.16Å; A604-E607 PolarHBondContact O-N 3.44Å; E605-E607 VanDerWaalsContact C-N 3.26Å; E605-E607 PolarHBondContact O-N 3.36Å; E607-R610 VanDerWaalsContact CD-NH2 3.28Å; E607-R610 IonicContact OE1-CZ 3.67Å; E607-R610 IonicContact OE1-NE 3.9Å; E607-R610 IonicContact OE1-NH2 2.69Å; E607-R610 PolarHBondContact OE1-NH2 3.11Å; E607-R610 IonicContact OE2-CZ 2.86Å; E607-R610 VanDerWaalsContact OE2-CZ 3.23Å; E607-R610 IonicContact OE2-NE 3.77Å; E607-R610 PolarHBondContact OE2-NE 3.38Å; E607-R610 IonicContact OE2-NH2 2.59Å; E607-R610 PolarHBondContact OE2-NH2 3.42Å; E607-R611 VanDerWaalsContact CG-CZ 3.48Å; E607-R611 VanDerWaalsContact CG-NH2 3.33Å; E607-R611 WeakPolarHBondContact O-CB 3.45Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.35Å; E607-R611 PolarHBondContact O-N 3.15Å; E607-R611 IonicContact OE1-CZ 3.04Å; E607-R611 IonicContact OE1-NE 3.88Å; E607-R611 PolarHBondContact OE1-NE 2.86Å; E607-R611 IonicContact OE1-NH2 3.95Å; E607-R611 PolarHBondContact OE1-NH2 3.34Å
608R96.8Very high92.5Very high138 Ų13898.1 Ų98.152%0.52147%0.471SS..Hα-helixtrans-64-48.8170.7-178.5-179.1166-131.82.7110.7A604 E605 R610 R611 M612A604-R608 PolarHBondContact O-N 3.2Å; E605-R608 CarbonylContact O-C 3.51Å; E605-R608 WeakPolarHBondContact O-CA 3.29Å; E605-R608 VanDerWaalsContact O-CB 3.31Å; E605-R608 WeakPolarHBondContact O-CB 3.08Å; E605-R608 PolarHBondContact O-N 3.18Å; E605-R608 WeakPolarHBondContact OE1-CD 3.43Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.9Å; E605-R608 IonicContact OE1-NH1 3.82Å; E605-R608 PolarHBondContact OE1-NH1 3.45Å; E605-R608 WeakPolarHBondContact OE2-CD 3.41Å; E605-R608 IonicContact OE2-CZ 3.55Å; E605-R608 IonicContact OE2-NH1 2.7Å; E605-R608 PolarHBondContact OE2-NH1 2.85Å; R608-R610 PolarHBondContact O-N 3.48Å; R608-R611 PolarHBondContact O-N 3.39Å; R608-M612 HydrophobicContact CG-CE 4.16Å; R608-M612 HydrophobicContact CG-SD 4.44Å; R608-M612 WeakPolarHBondContact O-CG 3.34Å; R608-M612 PolarHBondContact O-N 3.21Å
609E96.9Very high94.1Very high114 Ų114104.3 Ų104.353%0.53349%0.491SS..Hα-helixtrans-57.2-48.2173.6-70.3-175147.100111.9E605 R611 M612 A613E605-E609 PolarHBondContact O-N 3.24Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.07Å; E609-M612 HydrophobicContact CG-CE 4.2Å; E609-M612 PolarHBondContact O-N 3.25Å; E609-M612 VanDerWaalsContact O-N 3.11Å; E609-A613 WeakPolarHBondContact O-CB 3.42Å; E609-A613 PolarHBondContact O-N 2.95Å
610R97.5Very high95.1Very high158 Ų158104.6 Ų104.660%0.59649%0.493SS*.Hα-helixtrans-56.9-40.8177.1-166.1-176.769.8105.22.9111.6R606 E607 R608 N614R606-R610 WeakPolarHBondContact O-CB 3.31Å; R606-R610 PolarHBondContact O-N 3.43Å; E607-R610 VanDerWaalsContact CD-NH2 3.28Å; E607-R610 IonicContact OE1-CZ 3.67Å; E607-R610 IonicContact OE1-NE 3.9Å; E607-R610 IonicContact OE1-NH2 2.69Å; E607-R610 PolarHBondContact OE1-NH2 3.11Å; E607-R610 IonicContact OE2-CZ 2.86Å; E607-R610 VanDerWaalsContact OE2-CZ 3.23Å; E607-R610 IonicContact OE2-NE 3.77Å; E607-R610 PolarHBondContact OE2-NE 3.38Å; E607-R610 IonicContact OE2-NH2 2.59Å; E607-R610 PolarHBondContact OE2-NH2 3.42Å; R608-R610 PolarHBondContact O-N 3.48Å; R610-N614 VanDerWaalsContact O-CB 3.31Å; R610-N614 WeakPolarHBondContact O-CB 3.44Å; R610-N614 PolarHBondContact O-N 3.2Å
611R98.2Very high95.9Very high160 Ų160106.4 Ų106.460%0.60449%0.486SS*.Hα-helixtrans-69.5-40.8175.3-71.9170.5-171171.66.7112.5E607 R608 E609 N614 N615E607-R611 VanDerWaalsContact CG-CZ 3.48Å; E607-R611 VanDerWaalsContact CG-NH2 3.33Å; E607-R611 WeakPolarHBondContact O-CB 3.45Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.35Å; E607-R611 PolarHBondContact O-N 3.15Å; E607-R611 IonicContact OE1-CZ 3.04Å; E607-R611 IonicContact OE1-NE 3.88Å; E607-R611 PolarHBondContact OE1-NE 2.86Å; E607-R611 IonicContact OE1-NH2 3.95Å; E607-R611 PolarHBondContact OE1-NH2 3.34Å; R608-R611 PolarHBondContact O-N 3.39Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.07Å; R611-N614 PolarHBondContact O-N 2.92Å; R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.4Å
612M97.5Very high96.5Very high96 Ų96102.6 Ų102.647%0.47347%0.472SS..Hα-helixtrans-62.4-47.5175-69.7-171-61.500111.3R608 E609 N614 N615 A616R608-M612 HydrophobicContact CG-CE 4.16Å; R608-M612 HydrophobicContact CG-SD 4.44Å; R608-M612 WeakPolarHBondContact O-CG 3.34Å; R608-M612 PolarHBondContact O-N 3.21Å; E609-M612 HydrophobicContact CG-CE 4.2Å; E609-M612 PolarHBondContact O-N 3.25Å; E609-M612 VanDerWaalsContact O-N 3.11Å; M612-N614 VanDerWaalsContact C-N 3.3Å; M612-N614 PolarHBondContact O-N 3.24Å; M612-N615 PolarHBondContact O-N 2.98Å; M612-A616 WeakPolarHBondContact O-CB 3.33Å; M612-A616 PolarHBondContact O-N 2.8Å
613A97.4Very high96.9Very high42 Ų42104.2 Ų104.235%0.34747%0.474SS..Hα-helixtrans-68-25.717800000113.4E609 R617E609-A613 WeakPolarHBondContact O-CB 3.42Å; E609-A613 PolarHBondContact O-N 2.95Å; A613-R617 PolarHBondContact O-NE 3.13Å
614N98.4Very high97.3Very high105 Ų105104.3 Ų104.356%0.56148%0.479SS*.Hα-helixtrans-75.4-46.8170.1-174.2-84.9000111.2R610 R611 M612 A616 R617 E618R610-N614 VanDerWaalsContact O-CB 3.31Å; R610-N614 WeakPolarHBondContact O-CB 3.44Å; R610-N614 PolarHBondContact O-N 3.2Å; R611-N614 PolarHBondContact O-N 2.92Å; M612-N614 VanDerWaalsContact C-N 3.3Å; M612-N614 PolarHBondContact O-N 3.24Å; N614-A616 VanDerWaalsContact C-N 3.31Å; N614-A616 PolarHBondContact O-N 2.95Å; N614-R617 PolarHBondContact O-N 3.39Å; N614-R617 VanDerWaalsContact O-N 3.14Å; N614-E618 PolarHBondContact O-N 3.49Å
615N98.6Very high97.6Very high78 Ų78104.9 Ų104.942%0.41747%0.472SS..Hα-helixtrans-61.5-38.4178.2-167.1-105.6000112.2R611 M612 E618 R619R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.4Å; M612-N615 PolarHBondContact O-N 2.98Å; N615-E618 PolarHBondContact O-N 3.46Å; N615-R619 VanDerWaalsContact O-CG 3.28Å; N615-R619 WeakPolarHBondContact O-CG 3.47Å; N615-R619 PolarHBondContact O-N 3.33Å; N615-R619 PolarHBondContact OD1-NE 2.96Å; N615-R619 PolarHBondContact OD1-NH2 2.88Å
616A98.7Very high97.9Very high51 Ų51104.2 Ų104.242%0.42147%0.471SS..Hα-helixtrans-59.9-46.2173.300000112M612 N614 R619 L620M612-A616 WeakPolarHBondContact O-CB 3.33Å; M612-A616 PolarHBondContact O-N 2.8Å; N614-A616 VanDerWaalsContact C-N 3.31Å; N614-A616 PolarHBondContact O-N 2.95Å; A616-R619 PolarHBondContact O-N 2.79Å; A616-L620 PolarHBondContact O-N 3.03Å; A616-L620 VanDerWaalsContact O-N 3.17Å
617R98.7Very high98.1Very high168 Ų168104.2 Ų104.263%0.63448%0.476SS*.Hα-helixtrans-64.5-42.8178-80.9178-86.8-158.5-5.7112.7A613 N614 R619 L620 R621A613-R617 PolarHBondContact O-NE 3.13Å; N614-R617 PolarHBondContact O-N 3.39Å; N614-R617 VanDerWaalsContact O-N 3.14Å; R617-R619 VanDerWaalsContact C-N 3.35Å; R617-R619 PolarHBondContact O-N 3.25Å; R617-L620 PolarHBondContact O-N 2.92Å; R617-R621 PolarHBondContact O-N 2.86Å
618E98.6Very high98.3Very high77 Ų77104.9 Ų104.936%0.3649%0.49SS..Hα-helixtrans-68.7-32.8176.8-169.161.3-157.100112N614 N615 L620 R621 V622N614-E618 PolarHBondContact O-N 3.49Å; N615-E618 PolarHBondContact O-N 3.46Å; E618-L620 VanDerWaalsContact C-N 3.34Å; E618-L620 PolarHBondContact O-N 3.43Å; E618-R621 VanDerWaalsContact CD-NH1 3.34Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE1-CZ 2.72Å; E618-R621 IonicContact OE1-NH1 3.21Å; E618-R621 PolarHBondContact OE1-NH1 3.46Å; E618-R621 WeakPolarHBondContact OE2-CD 3.49Å; E618-R621 IonicContact OE2-CZ 3.66Å; E618-R621 IonicContact OE2-NE 2.99Å; E618-R621 IonicContact OE2-NH1 3.84Å; E618-R621 PolarHBondContact OE2-NH1 3.22Å; E618-V622 HydrophobicContact CG-CG2 4.33Å; E618-V622 WeakPolarHBondContact O-CB 3.43Å; E618-V622 VanDerWaalsContact O-CG2 3.27Å; E618-V622 WeakPolarHBondContact O-CG2 3.39Å; E618-V622 PolarHBondContact O-N 3.48Å
619R98.5Very high98.4Very high171 Ų171100.2 Ų100.265%0.64547%0.474SS*.Hα-helixtrans-61.7-38171.4-75.8177.8-163.2-139.85.7112.9N615 A616 R617 R623N615-R619 VanDerWaalsContact O-CG 3.28Å; N615-R619 WeakPolarHBondContact O-CG 3.47Å; N615-R619 PolarHBondContact O-N 3.33Å; N615-R619 PolarHBondContact OD1-NE 2.96Å; N615-R619 PolarHBondContact OD1-NH2 2.88Å; A616-R619 PolarHBondContact O-N 2.79Å; R617-R619 VanDerWaalsContact C-N 3.35Å; R617-R619 PolarHBondContact O-N 3.25Å; R619-R623 PolarHBondContact O-N 3.43Å; R619-R623 VanDerWaalsContact O-N 3.14Å
620L98.6Very high98.4Very high80 Ų80102 Ų10242%0.41948%0.48SS..Hα-helixtrans-64.8-56.2173.5-64.9175.9000109.9A616 R617 E618 V622 R623 D624A616-L620 PolarHBondContact O-N 3.03Å; A616-L620 VanDerWaalsContact O-N 3.17Å; R617-L620 PolarHBondContact O-N 2.92Å; E618-L620 VanDerWaalsContact C-N 3.34Å; E618-L620 PolarHBondContact O-N 3.43Å; L620-V622 VanDerWaalsContact C-N 3.27Å; L620-V622 PolarHBondContact O-N 2.99Å; L620-V622 VanDerWaalsContact O-N 3.15Å; L620-R623 VanDerWaalsContact CD2-NH1 3.31Å; L620-R623 WeakPolarHBondContact O-CA 3.42Å; L620-R623 WeakPolarHBondContact O-CB 3.49Å; L620-R623 PolarHBondContact O-N 3.11Å; L620-D624 PolarHBondContact O-N 3.27Å
621R98.8Very high98.4Very high141 Ų14198.5 Ų98.553%0.53247%0.47SS..Hα-helixtrans-52.2-41.9178.4-173.2-164-179.7-160.21.1113.3R617 E618 D624 I625R617-R621 PolarHBondContact O-N 2.86Å; E618-R621 VanDerWaalsContact CD-NH1 3.34Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE1-CZ 2.72Å; E618-R621 IonicContact OE1-NH1 3.21Å; E618-R621 PolarHBondContact OE1-NH1 3.46Å; E618-R621 WeakPolarHBondContact OE2-CD 3.49Å; E618-R621 IonicContact OE2-CZ 3.66Å; E618-R621 IonicContact OE2-NE 2.99Å; E618-R621 IonicContact OE2-NH1 3.84Å; E618-R621 PolarHBondContact OE2-NH1 3.22Å; R621-D624 PolarHBondContact O-N 2.91Å; R621-I625 HydrophobicContact CG-CD1 4.07Å; R621-I625 WeakPolarHBondContact O-CB 3.21Å; R621-I625 WeakPolarHBondContact O-CD1 3.47Å; R621-I625 VanDerWaalsContact O-CG1 3.24Å; R621-I625 WeakPolarHBondContact O-CG1 3.33Å; R621-I625 PolarHBondContact O-N 3.5Å
622V98.8Very high98.5Very high61 Ų6193.7 Ų93.737%0.3746%0.456SS..Hα-helixtrans-67.9-34.9176.3168.50000112E618 L620 N626E618-V622 HydrophobicContact CG-CG2 4.33Å; E618-V622 WeakPolarHBondContact O-CB 3.43Å; E618-V622 VanDerWaalsContact O-CG2 3.27Å; E618-V622 WeakPolarHBondContact O-CG2 3.39Å; E618-V622 PolarHBondContact O-N 3.48Å; L620-V622 VanDerWaalsContact C-N 3.27Å; L620-V622 PolarHBondContact O-N 2.99Å; L620-V622 VanDerWaalsContact O-N 3.15Å; V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.34Å; V622-N626 PolarHBondContact O-ND2 3.02Å; V622-N626 VanDerWaalsContact O-ND2 3.09Å; V622-N626 PolarHBondContact O-OD1 3Å
623R98.6Very high98.5Very high146 Ų14689.1 Ų89.155%0.55143%0.434SS*.Hα-helixtrans-62.7-49.6172-172.4-164.8-60.3153.4-0.6110.6R619 L620 I625 N626 E627R619-R623 PolarHBondContact O-N 3.43Å; R619-R623 VanDerWaalsContact O-N 3.14Å; L620-R623 VanDerWaalsContact CD2-NH1 3.31Å; L620-R623 WeakPolarHBondContact O-CA 3.42Å; L620-R623 WeakPolarHBondContact O-CB 3.49Å; L620-R623 PolarHBondContact O-N 3.11Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 3.32Å; R623-N626 CarbonylContact O-C 3.56Å; R623-N626 WeakPolarHBondContact O-CA 3.4Å; R623-N626 WeakPolarHBondContact O-CB 3.18Å; R623-N626 PolarHBondContact O-N 3.47Å; R623-E627 PolarHBondContact O-N 3.33Å
624D98.8Very high98.5Very high93 Ų9393.5 Ų93.550%0.49744%0.441SS..Hα-helixtrans-63-42.4-176.9-48.6-23.7000110.9L620 R621 N626 E627 A628L620-D624 PolarHBondContact O-N 3.27Å; R621-D624 PolarHBondContact O-N 2.91Å; D624-N626 PolarHBondContact O-N 3.11Å; D624-E627 PolarHBondContact O-N 2.69Å; D624-A628 PolarHBondContact O-N 3.24Å
625I98.8Very high98.4Very high74 Ų7493.3 Ų93.338%0.37944%0.438SS..Hα-helixtrans-61-42.5171.9-70.3166.5000111.2R621 R623 E627 F629R621-I625 HydrophobicContact CG-CD1 4.07Å; R621-I625 WeakPolarHBondContact O-CB 3.21Å; R621-I625 WeakPolarHBondContact O-CD1 3.47Å; R621-I625 VanDerWaalsContact O-CG1 3.24Å; R621-I625 WeakPolarHBondContact O-CG1 3.33Å; R621-I625 PolarHBondContact O-N 3.5Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 3.32Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 2.59Å; I625-F629 HydrophobicContact CG2-CD2 3.96Å; I625-F629 HydrophobicContact CG2-CE2 4.15Å; I625-F629 WeakPolarHBondContact O-CD2 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å
626N98.5Very high98.4Very high59 Ų5989.8 Ų89.832%0.31642%0.419SS..Hα-helixtrans-65.3-33.3176.9-70.5-24.2000112.2V622 R623 D624 K630 K648V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.34Å; V622-N626 PolarHBondContact O-ND2 3.02Å; V622-N626 VanDerWaalsContact O-ND2 3.09Å; V622-N626 PolarHBondContact O-OD1 3Å; R623-N626 CarbonylContact O-C 3.56Å; R623-N626 WeakPolarHBondContact O-CA 3.4Å; R623-N626 WeakPolarHBondContact O-CB 3.18Å; R623-N626 PolarHBondContact O-N 3.47Å; D624-N626 PolarHBondContact O-N 3.11Å; N626-K630 WeakPolarHBondContact O-CG 3.34Å; N626-K630 PolarHBondContact O-N 3.12Å; N626-K630 VanDerWaalsContact O-N 3.12Å; N626-K648 WeakPolarHBondContact OD1-CE 3.35Å; N626-K648 PolarHBondContact OD1-NZ 2.95Å
627E98.6Very high98.3Very high127 Ų12790.8 Ų90.859%0.59342%0.416SS*.Hα-helixtrans-72.6-45.6177.6-167.7163.9157.100111.8R623 D624 I625 F629 K630 E631R623-E627 PolarHBondContact O-N 3.33Å; D624-E627 PolarHBondContact O-N 2.69Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 2.59Å; E627-F629 PolarHBondContact O-N 3.24Å; E627-K630 WeakPolarHBondContact O-CA 3.48Å; E627-K630 WeakPolarHBondContact O-CB 3.37Å; E627-K630 PolarHBondContact O-N 3.45Å; E627-E631 PolarHBondContact O-N 3.02Å
628A98.6Very high98.1Very high64 Ų6489.2 Ų89.253%0.52942%0.419SS..Hα-helixtrans-56.9-37.8170.700000112.2D624 E631 L632D624-A628 PolarHBondContact O-N 3.24Å; A628-E631 PolarHBondContact O-N 3.06Å; A628-L632 WeakPolarHBondContact O-CB 3.39Å; A628-L632 PolarHBondContact O-N 3.14Å
629F98.6Very high98Very high40 Ų4090.1 Ų90.118%0.17542%0.423CS..Hα-helixtrans-64.5-37.4172.2-98.2-70.9000113.2I625 E627 G633 K648 I651 L652I625-F629 HydrophobicContact CG2-CD2 3.96Å; I625-F629 HydrophobicContact CG2-CE2 4.15Å; I625-F629 WeakPolarHBondContact O-CD2 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å; E627-F629 PolarHBondContact O-N 3.24Å; F629-G633 PolarHBondContact O-N 3.33Å; F629-K648 HydrophobicContact CD1-CB 4.09Å; F629-K648 HydrophobicContact CD1-CG 3.99Å; F629-K648 HydrophobicContact CD2-CD 3.98Å; F629-K648 HydrophobicContact CD2-CG 4.11Å; F629-K648 HydrophobicContact CE1-CB 3.78Å; F629-K648 HydrophobicContact CE1-CG 4.12Å; F629-K648 WeakPolarHBondContact CE1-O 3.45Å; F629-K648 HydrophobicContact CE2-CB 4.43Å; F629-K648 HydrophobicContact CE2-CD 3.97Å; F629-K648 HydrophobicContact CE2-CG 4.24Å; F629-K648 HydrophobicContact CG-CD 4.37Å; F629-K648 HydrophobicContact CG-CG 3.99Å; F629-K648 HydrophobicContact CZ-CB 3.97Å; F629-K648 HydrophobicContact CZ-CD 4.33Å; F629-K648 HydrophobicContact CZ-CG 4.25Å; F629-I651 HydrophobicContact CD1-CB 4.13Å; F629-I651 HydrophobicContact CD1-CD1 3.98Å; F629-I651 HydrophobicContact CD1-CG2 4.02Å; F629-I651 HydrophobicContact CE1-CB 4.33Å; F629-I651 HydrophobicContact CE1-CG2 4.36Å; F629-L652 HydrophobicContact CE1-CD2 3.89Å; F629-L652 HydrophobicContact CE1-CG 3.94Å; F629-L652 HydrophobicContact CZ-CD1 4.32Å; F629-L652 HydrophobicContact CZ-CD2 3.98Å; F629-L652 HydrophobicContact CZ-CG 4.11Å
630K97.8Very high97.8Very high150 Ų15085.3 Ų85.365%0.65241%0.41SS*.Hα-helixtrans-67.2-41.3176.1-72170.3-178.7-179.90111.9N626 E627 G633 R634N626-K630 WeakPolarHBondContact O-CG 3.34Å; N626-K630 PolarHBondContact O-N 3.12Å; N626-K630 VanDerWaalsContact O-N 3.12Å; E627-K630 WeakPolarHBondContact O-CA 3.48Å; E627-K630 WeakPolarHBondContact O-CB 3.37Å; E627-K630 PolarHBondContact O-N 3.45Å; K630-G633 PolarHBondContact O-N 2.85Å; K630-R634 PolarHBondContact O-N 3.49Å
631E98.2Very high97.5Very high85 Ų8590.6 Ų90.640%0.39743%0.429SS..Hα-helixtrans-63.5-53.3175.5-174.457.6-112.600111E627 A628 G633 R634 M635E627-E631 PolarHBondContact O-N 3.02Å; A628-E631 PolarHBondContact O-N 3.06Å; E631-G633 PolarHBondContact O-N 3.48Å; E631-R634 PolarHBondContact O-N 3.26Å; E631-R634 VanDerWaalsContact O-N 3.08Å; E631-R634 IonicContact OE1-CZ 3.9Å; E631-R634 IonicContact OE1-NH1 2.69Å; E631-R634 PolarHBondContact OE1-NH1 3.41Å; E631-R634 IonicContact OE1-NH2 2.74Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 VanDerWaalsContact OE2-CZ 3.26Å; E631-R634 IonicContact OE2-NH1 2.95Å; E631-R634 PolarHBondContact OE2-NH1 3.17Å; E631-R634 IonicContact OE2-NH2 3.23Å; E631-R634 PolarHBondContact OE2-NH2 3.45Å; E631-M635 PolarHBondContact O-N 3.15Å
632L98.4Very high97Very high60 Ų6085 Ų8531%0.31441%0.412SS..Hα-helixtrans-57.8-38.3176.6-177.861.6000111.8A628 M635 C636 I651 A655A628-L632 WeakPolarHBondContact O-CB 3.39Å; A628-L632 PolarHBondContact O-N 3.14Å; L632-M635 PolarHBondContact O-N 2.88Å; L632-C636 WeakPolarHBondContact O-CB 3.24Å; L632-C636 PolarHBondContact O-N 3.01Å; L632-C636 PolarHBondContact O-SG 3.36Å; L632-I651 HydrophobicContact CB-CG2 4.11Å; L632-I651 HydrophobicContact CD2-CG2 3.85Å; L632-I651 HydrophobicContact CG-CG2 3.69Å; L632-A655 HydrophobicContact CD1-CB 4.12Å; L632-A655 HydrophobicContact CD2-CB 4.32Å; L632-A655 HydrophobicContact CG-CB 4.43Å
633G97.9Very high96.6Very high0 Ų091 Ų910%044%0.436CS..Hα-helixtrans-57.4-51.6173.200000112.5F629 K630 E631 M635 C636 Q637 Q646F629-G633 PolarHBondContact O-N 3.33Å; K630-G633 PolarHBondContact O-N 2.85Å; E631-G633 PolarHBondContact O-N 3.48Å; G633-M635 PolarHBondContact O-N 2.69Å; G633-C636 PolarHBondContact O-N 2.88Å; G633-Q637 VanDerWaalsContact O-CB 3.31Å; G633-Q637 WeakPolarHBondContact O-CB 3.39Å; G633-Q637 PolarHBondContact O-N 3.38Å; G633-Q646 VanDerWaalsContact C-OE1 3.25Å; G633-Q646 PolarHBondContact O-NE2 2.81Å; G633-Q646 PolarHBondContact O-OE1 3.24Å
634R97.2Very high96.2Very high134 Ų13490.5 Ų90.551%0.50644%0.438SS..Hα-helixtrans-59.8-44.1175.5-78.1-164.9-82.185.9-1.4112.5K630 E631 C636 Q637 L638K630-R634 PolarHBondContact O-N 3.49Å; E631-R634 PolarHBondContact O-N 3.26Å; E631-R634 VanDerWaalsContact O-N 3.08Å; E631-R634 IonicContact OE1-CZ 3.9Å; E631-R634 IonicContact OE1-NH1 2.69Å; E631-R634 PolarHBondContact OE1-NH1 3.41Å; E631-R634 IonicContact OE1-NH2 2.74Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 VanDerWaalsContact OE2-CZ 3.26Å; E631-R634 IonicContact OE2-NH1 2.95Å; E631-R634 PolarHBondContact OE2-NH1 3.17Å; E631-R634 IonicContact OE2-NH2 3.23Å; E631-R634 PolarHBondContact OE2-NH2 3.45Å; R634-C636 PolarHBondContact O-N 3Å; R634-Q637 PolarHBondContact O-N 3.09Å; R634-L638 PolarHBondContact O-N 3.49Å
635M97.4Very high95.9Very high101 Ų10191.8 Ų91.850%0.49845%0.451SS..Hα-helixtrans-59.4-46175.6-66.9-174.974.900111.8E631 L632 G633 L638 H639E631-M635 PolarHBondContact O-N 3.15Å; L632-M635 PolarHBondContact O-N 2.88Å; G633-M635 PolarHBondContact O-N 2.69Å; M635-L638 PolarHBondContact O-N 3.23Å; M635-H639 PolarHBondContact O-CD2 3.24Å; M635-H639 PolarHBondContact O-N 3.16Å
636C97.9Very high95.6Very high3 Ų391.1 Ų91.12%0.0245%0.446CS..Hα-helixtrans-65.3-41178.6-67.90000112.4L632 G633 R634 H639 L640 Q654 A655L632-C636 WeakPolarHBondContact O-CB 3.24Å; L632-C636 PolarHBondContact O-N 3.01Å; L632-C636 PolarHBondContact O-SG 3.36Å; G633-C636 PolarHBondContact O-N 2.88Å; R634-C636 PolarHBondContact O-N 3Å; C636-H639 PolarHBondContact O-N 3.14Å; C636-L640 WeakPolarHBondContact O-CB 3.41Å; C636-L640 WeakPolarHBondContact O-CG 3.47Å; C636-L640 PolarHBondContact O-N 3.37Å; C636-Q654 HydrophobicContact CB-CB 3.91Å; C636-A655 WeakPolarHBondContact SG-CA 3.09Å
637Q96.8Very high95.6Very high73 Ų7392.3 Ų92.334%0.34146%0.456SS..Hα-helixtrans-61.8-41.4177171.5163.472.700111.9G633 R634 K641 S642G633-Q637 VanDerWaalsContact O-CB 3.31Å; G633-Q637 WeakPolarHBondContact O-CB 3.39Å; G633-Q637 PolarHBondContact O-N 3.38Å; R634-Q637 PolarHBondContact O-N 3.09Å; Q637-K641 VanDerWaalsContact O-CA 3.29Å; Q637-K641 WeakPolarHBondContact O-CA 3.24Å; Q637-K641 PolarHBondContact O-N 2.83Å; Q637-S642 WeakPolarHBondContact CG-O 3.14Å; Q637-S642 PolarHBondContact NE2-O 2.99Å; Q637-S642 PolarHBondContact O-N 3.06Å
638L95.3Very high95.6Very high134 Ų13491 Ų9170%0.70245%0.448SS*.Hα-helixtrans-60.8-46.2176.6-179.563.7000112.1R634 M635R634-L638 PolarHBondContact O-N 3.49Å; M635-L638 PolarHBondContact O-N 3.23Å
639H95.6Very high95.5Very high96 Ų9693.2 Ų93.244%0.44445%0.451SS..Hα-helixtrans-73.6-36.8-179.3-79-74.3000113.7M635 C636 V658M635-H639 PolarHBondContact O-CD2 3.24Å; M635-H639 PolarHBondContact O-N 3.16Å; C636-H639 PolarHBondContact O-N 3.14Å; H639-V658 HydrophobicContact CB-CB 4.36Å; H639-V658 HydrophobicContact CB-CG1 3.7Å; H639-V658 HydrophobicContact CB-CG2 3.66Å
640L94.8Very high95.5Very high70 Ų7093.8 Ų93.837%0.36646%0.455SS..Hα-helixtrans-91-7.4-178.9-62.2177.6000114.2C636 S642 Q654 V658C636-L640 WeakPolarHBondContact O-CB 3.41Å; C636-L640 WeakPolarHBondContact O-CG 3.47Å; C636-L640 PolarHBondContact O-N 3.37Å; L640-S642 PolarHBondContact O-N 2.88Å; L640-Q654 HydrophobicContact CD1-CB 3.56Å; L640-Q654 HydrophobicContact CD1-CG 3.53Å; L640-V658 HydrophobicContact CD1-CG2 4Å; L640-V658 HydrophobicContact CD2-CG2 3.77Å; L640-V658 HydrophobicContact CG-CG2 3.54Å
641K92.6Very high95.5Very high192 Ų19287.1 Ų87.184%0.83543%0.427SS*.THydrogen-bonded Turntrans50.341.2-174-56-179.6-178.3-179.60112.2Q637Q637-K641 VanDerWaalsContact O-CA 3.29Å; Q637-K641 WeakPolarHBondContact O-CA 3.24Å; Q637-K641 PolarHBondContact O-N 2.83Å
642S88.6Confident95.5Very high24 Ų2487.2 Ų87.217%0.16843%0.43CS..  trans-109.6110.6-168.2-154.80000112.4Q637 L640 K644Q637-S642 WeakPolarHBondContact CG-O 3.14Å; Q637-S642 PolarHBondContact NE2-O 2.99Å; Q637-S642 PolarHBondContact O-N 3.06Å; L640-S642 PolarHBondContact O-N 2.88Å; S642-K644 PolarHBondContact O-N 3.26Å
643E90.9Very high95.5Very high186 Ų18690.1 Ų90.187%0.86944%0.441SS*.  trans-83.114.7178.1-152176.3178.200113.3
644K89.2Confident95.4Very high135 Ų13590.7 Ų90.759%0.58744%0.444SS*.SBendtrans-71.5138.9-179.7-67.6-179178.6-179.80110.6S642 Q646S642-K644 PolarHBondContact O-N 3.26Å; K644-Q646 PolarHBondContact O-N 2.98Å
645P91.7Very high95.5Very high120 Ų12085 Ų8578%0.77943%0.425SS*.  trans-59.4124.7175.924.8-33.8000110.5
646Q93.3Very high95.5Very high60 Ų6084.2 Ų84.228%0.2843%0.426SS..  trans-92.4109-169.5-81.5-178.7-28.700112.3G633 K644 I651G633-Q646 VanDerWaalsContact C-OE1 3.25Å; G633-Q646 PolarHBondContact O-NE2 2.81Å; G633-Q646 PolarHBondContact O-OE1 3.24Å; K644-Q646 PolarHBondContact O-N 2.98Å; Q646-I651 HydrophobicContact CB-CD1 3.96Å; Q646-I651 HydrophobicContact CB-CG1 3.75Å; Q646-I651 HydrophobicContact CG-CG1 4.06Å
647T97.9Very high95.5Very high85 Ų8586.4 Ų86.452%0.52144%0.444SS..  trans-82.2156.8162.568.50000110.1L649 L650 I651T647-L649 VanDerWaalsContact C-N 3.26Å; T647-L649 PolarHBondContact O-N 3.49Å; T647-L650 PolarHBondContact O-N 2.83Å; T647-L650 WeakPolarHBondContact OG1-CB 3.5Å; T647-L650 PolarHBondContact OG1-N 3.11Å; T647-I651 WeakPolarHBondContact O-CG1 3.37Å; T647-I651 PolarHBondContact O-N 3.28Å
648K98.4Very high95.6Very high99 Ų9983.6 Ų83.643%0.4343%0.432SS..Hα-helixtrans-50.7-45.5176.4-69.5-173.7176-176.20112.8N626 F629 I651 L652N626-K648 WeakPolarHBondContact OD1-CE 3.35Å; N626-K648 PolarHBondContact OD1-NZ 2.95Å; F629-K648 HydrophobicContact CD1-CB 4.09Å; F629-K648 HydrophobicContact CD1-CG 3.99Å; F629-K648 HydrophobicContact CD2-CD 3.98Å; F629-K648 HydrophobicContact CD2-CG 4.11Å; F629-K648 HydrophobicContact CE1-CB 3.78Å; F629-K648 HydrophobicContact CE1-CG 4.12Å; F629-K648 WeakPolarHBondContact CE1-O 3.45Å; F629-K648 HydrophobicContact CE2-CB 4.43Å; F629-K648 HydrophobicContact CE2-CD 3.97Å; F629-K648 HydrophobicContact CE2-CG 4.24Å; F629-K648 HydrophobicContact CG-CD 4.37Å; F629-K648 HydrophobicContact CG-CG 3.99Å; F629-K648 HydrophobicContact CZ-CB 3.97Å; F629-K648 HydrophobicContact CZ-CD 4.33Å; F629-K648 HydrophobicContact CZ-CG 4.25Å; K648-I651 PolarHBondContact O-N 3.03Å; K648-L652 WeakPolarHBondContact O-CG 3.36Å; K648-L652 PolarHBondContact O-N 2.87Å; K648-L652 VanDerWaalsContact O-N 3.11Å
649L98Very high95.7Very high110 Ų11081.6 Ų81.658%0.57642%0.421SS*.Hα-helixtrans-63.4-41.7178-178.161000112T647 I651 L652 H653T647-L649 VanDerWaalsContact C-N 3.26Å; T647-L649 PolarHBondContact O-N 3.49Å; L649-I651 VanDerWaalsContact C-N 3.35Å; L649-I651 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 2.96Å; L649-H653 PolarHBondContact O-CD2 2.74Å; L649-H653 PolarHBondContact O-N 2.98Å; L649-H653 VanDerWaalsContact O-N 3.11Å
650L97.3Very high95.8Very high53 Ų5381.8 Ų81.828%0.27743%0.425SS..Hα-helixtrans-64.8-38.6175.9-177.759000111.7T647 L652 H653 Q654T647-L650 PolarHBondContact O-N 2.83Å; T647-L650 WeakPolarHBondContact OG1-CB 3.5Å; T647-L650 PolarHBondContact OG1-N 3.11Å; L650-L652 VanDerWaalsContact C-N 3.34Å; L650-L652 PolarHBondContact O-N 2.91Å; L650-H653 PolarHBondContact O-N 3.44Å; L650-Q654 HydrophobicContact CD1-CG 4.1Å; L650-Q654 HydrophobicContact CG-CG 4.25Å; L650-Q654 WeakPolarHBondContact O-CB 3.45Å; L650-Q654 VanDerWaalsContact O-CG 3.24Å; L650-Q654 WeakPolarHBondContact O-CG 3.2Å; L650-Q654 PolarHBondContact O-N 2.86Å
651I98.1Very high95.9Very high10 Ų1082 Ų825%0.05143%0.432CS..Hα-helixtrans-60.6-43.3175.5-64.5161.5000110.6F629 L632 Q646 T647 K648 L649 Q654 A655F629-I651 HydrophobicContact CD1-CB 4.13Å; F629-I651 HydrophobicContact CD1-CD1 3.98Å; F629-I651 HydrophobicContact CD1-CG2 4.02Å; F629-I651 HydrophobicContact CE1-CB 4.33Å; F629-I651 HydrophobicContact CE1-CG2 4.36Å; L632-I651 HydrophobicContact CB-CG2 4.11Å; L632-I651 HydrophobicContact CD2-CG2 3.85Å; L632-I651 HydrophobicContact CG-CG2 3.69Å; Q646-I651 HydrophobicContact CB-CD1 3.96Å; Q646-I651 HydrophobicContact CB-CG1 3.75Å; Q646-I651 HydrophobicContact CG-CG1 4.06Å; T647-I651 WeakPolarHBondContact O-CG1 3.37Å; T647-I651 PolarHBondContact O-N 3.28Å; K648-I651 PolarHBondContact O-N 3.03Å; L649-I651 VanDerWaalsContact C-N 3.35Å; L649-I651 PolarHBondContact O-N 3.2Å; I651-Q654 PolarHBondContact O-N 2.85Å; I651-A655 WeakPolarHBondContact O-CB 3.42Å; I651-A655 PolarHBondContact O-N 2.78Å
652L98.4Very high96.1Very high87 Ų8775.8 Ų75.846%0.45541%0.408SS..Hα-helixtrans-62.7-46176.3-64.3178.6000112.3F629 K648 L649 L650 Q654 A655 V656F629-L652 HydrophobicContact CE1-CD2 3.89Å; F629-L652 HydrophobicContact CE1-CG 3.94Å; F629-L652 HydrophobicContact CZ-CD1 4.32Å; F629-L652 HydrophobicContact CZ-CD2 3.98Å; F629-L652 HydrophobicContact CZ-CG 4.11Å; K648-L652 WeakPolarHBondContact O-CG 3.36Å; K648-L652 PolarHBondContact O-N 2.87Å; K648-L652 VanDerWaalsContact O-N 3.11Å; L649-L652 PolarHBondContact O-N 2.96Å; L650-L652 VanDerWaalsContact C-N 3.34Å; L650-L652 PolarHBondContact O-N 2.91Å; L652-Q654 VanDerWaalsContact C-N 3.33Å; L652-Q654 PolarHBondContact O-N 3.2Å; L652-A655 PolarHBondContact O-N 2.59Å; L652-V656 WeakPolarHBondContact O-CG2 3.41Å; L652-V656 PolarHBondContact O-N 2.69Å; L652-V656 VanDerWaalsContact O-N 3.13Å
653H97.5Very high96.4Very high121 Ų12179 Ų7956%0.5642%0.42SS*.Hα-helixtrans-63.5-38.5175.9-71.4-60.2000112.6L649 L650 A657L649-H653 PolarHBondContact O-CD2 2.74Å; L649-H653 PolarHBondContact O-N 2.98Å; L649-H653 VanDerWaalsContact O-N 3.11Å; L650-H653 PolarHBondContact O-N 3.44Å; H653-A657 PolarHBondContact O-N 3.43Å; H653-A657 VanDerWaalsContact O-N 3.14Å
654Q97.6Very high96.6Very high12 Ų1273.8 Ų73.86%0.05640%0.396CS..Hα-helixtrans-66.2-41.6175.4-74.6-177.7-3.400111.8C636 L640 L650 I651 L652 V656 A657 V658C636-Q654 HydrophobicContact CB-CB 3.91Å; L640-Q654 HydrophobicContact CD1-CB 3.56Å; L640-Q654 HydrophobicContact CD1-CG 3.53Å; L650-Q654 HydrophobicContact CD1-CG 4.1Å; L650-Q654 HydrophobicContact CG-CG 4.25Å; L650-Q654 WeakPolarHBondContact O-CB 3.45Å; L650-Q654 VanDerWaalsContact O-CG 3.24Å; L650-Q654 WeakPolarHBondContact O-CG 3.2Å; L650-Q654 PolarHBondContact O-N 2.86Å; I651-Q654 PolarHBondContact O-N 2.85Å; L652-Q654 VanDerWaalsContact C-N 3.33Å; L652-Q654 PolarHBondContact O-N 3.2Å; Q654-V656 PolarHBondContact O-N 2.98Å; Q654-A657 PolarHBondContact O-N 2.91Å; Q654-V658 WeakPolarHBondContact O-CG2 3.43Å; Q654-V658 PolarHBondContact O-N 2.99Å
655A98.4Very high96.8Very high13 Ų1371.1 Ų71.111%0.10739%0.385CS..Hα-helixtrans-60-46.3177.200000111.9L632 C636 I651 L652 A657 V658 I659L632-A655 HydrophobicContact CD1-CB 4.12Å; L632-A655 HydrophobicContact CD2-CB 4.32Å; L632-A655 HydrophobicContact CG-CB 4.43Å; C636-A655 WeakPolarHBondContact SG-CA 3.09Å; I651-A655 WeakPolarHBondContact O-CB 3.42Å; I651-A655 PolarHBondContact O-N 2.78Å; L652-A655 PolarHBondContact O-N 2.59Å; A655-A657 PolarHBondContact O-N 2.95Å; A655-V658 PolarHBondContact O-N 3.34Å; A655-I659 VanDerWaalsContact O-CG1 3.28Å; A655-I659 WeakPolarHBondContact O-CG1 3.28Å; A655-I659 PolarHBondContact O-N 2.72Å
656V98.4Very high97Very high86 Ų8669.3 Ų69.352%0.52137%0.372SS..Hα-helixtrans-60.7-43.8175.5174.10000111.3L652 Q654 V658 I659 L660L652-V656 WeakPolarHBondContact O-CG2 3.41Å; L652-V656 PolarHBondContact O-N 2.69Å; L652-V656 VanDerWaalsContact O-N 3.13Å; Q654-V656 PolarHBondContact O-N 2.98Å; V656-V658 PolarHBondContact O-N 3.23Å; V656-I659 PolarHBondContact O-N 3.04Å; V656-L660 HydrophobicContact CG1-CD1 3.82Å; V656-L660 HydrophobicContact CG1-CG 4.37Å; V656-L660 WeakPolarHBondContact O-CB 3.27Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.31Å; V656-L660 PolarHBondContact O-N 3.03Å
657A97.4Very high96.9Very high48 Ų4872.4 Ų72.440%0.39738%0.381SS..Hα-helixtrans-64-38176.700000113.2H653 Q654 A655 S661H653-A657 PolarHBondContact O-N 3.43Å; H653-A657 VanDerWaalsContact O-N 3.14Å; Q654-A657 PolarHBondContact O-N 2.91Å; A655-A657 PolarHBondContact O-N 2.95Å; A657-S661 WeakPolarHBondContact O-CB 3.35Å; A657-S661 PolarHBondContact O-N 2.66Å; A657-S661 VanDerWaalsContact O-N 3.12Å
658V98.1Very high96.4Very high14 Ų1474 Ų749%0.08538%0.382CS..Hα-helixtrans-66.1-48174.8169.50000111H639 L640 Q654 A655 V656 S661 L662H639-V658 HydrophobicContact CB-CB 4.36Å; H639-V658 HydrophobicContact CB-CG1 3.7Å; H639-V658 HydrophobicContact CB-CG2 3.66Å; L640-V658 HydrophobicContact CD1-CG2 4Å; L640-V658 HydrophobicContact CD2-CG2 3.77Å; L640-V658 HydrophobicContact CG-CG2 3.54Å; Q654-V658 WeakPolarHBondContact O-CG2 3.43Å; Q654-V658 PolarHBondContact O-N 2.99Å; A655-V658 PolarHBondContact O-N 3.34Å; V656-V658 PolarHBondContact O-N 3.23Å; V658-S661 PolarHBondContact O-N 3.26Å; V658-L662 HydrophobicContact CG1-CD1 3.68Å; V658-L662 HydrophobicContact CG1-CG 4.29Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.15Å; V658-L662 PolarHBondContact O-N 2.74Å
659I98.1Very high95.6Very high92 Ų9277.1 Ų77.147%0.47239%0.392SS..Hα-helixtrans-59.2-52.4179.5-69.4164.4000110.3A655 V656 S661 L662 E663A655-I659 VanDerWaalsContact O-CG1 3.28Å; A655-I659 WeakPolarHBondContact O-CG1 3.28Å; A655-I659 PolarHBondContact O-N 2.72Å; V656-I659 PolarHBondContact O-N 3.04Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.7Å; I659-L662 PolarHBondContact O-N 2.82Å; I659-E663 HydrophobicContact CG2-CG 4.22Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.24Å; I659-E663 WeakPolarHBondContact O-CB 3.47Å; I659-E663 WeakPolarHBondContact O-CG 3.46Å; I659-E663 PolarHBondContact O-N 2.86Å
660L97.5Very high94.4Very high101 Ų10177.5 Ų77.553%0.52939%0.394SS..Hα-helixtrans-61.2-37.4-179.7-68.4172.3000112.8V656 Q664V656-L660 HydrophobicContact CG1-CD1 3.82Å; V656-L660 HydrophobicContact CG1-CG 4.37Å; V656-L660 WeakPolarHBondContact O-CB 3.27Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.31Å; V656-L660 PolarHBondContact O-N 3.03Å; L660-Q664 VanDerWaalsContact O-CB 3.32Å; L660-Q664 WeakPolarHBondContact O-CB 3.41Å; L660-Q664 PolarHBondContact O-N 2.96Å
661S96.6Very high92.9Very high73 Ų7381.3 Ų81.351%0.5141%0.414SS..Hα-helixtrans-66.5-45.6176-178.20000112.1A657 V658 I659 Q664 Q665A657-S661 WeakPolarHBondContact O-CB 3.35Å; A657-S661 PolarHBondContact O-N 2.66Å; A657-S661 VanDerWaalsContact O-N 3.12Å; V658-S661 PolarHBondContact O-N 3.26Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.7Å; S661-Q664 PolarHBondContact O-N 3.17Å; S661-Q665 WeakPolarHBondContact O-CB 3.36Å; S661-Q665 PolarHBondContact O-N 2.95Å
662L96.3Very high91.1Very high63 Ų6385.2 Ų85.233%0.3344%0.435SS..Hα-helixtrans-68.5-42.5177.5-69175000111.8V658 I659 Q664 Q665 V666V658-L662 HydrophobicContact CG1-CD1 3.68Å; V658-L662 HydrophobicContact CG1-CG 4.29Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.15Å; V658-L662 PolarHBondContact O-N 2.74Å; I659-L662 PolarHBondContact O-N 2.82Å; L662-Q664 PolarHBondContact O-N 2.76Å; L662-Q665 PolarHBondContact O-N 3.21Å; L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.31Å; L662-V666 PolarHBondContact O-N 3.46Å
663E95.9Very high89.3Confident92 Ų9285.6 Ų85.643%0.4344%0.443SS..Hα-helixtrans-58.5-45.4173.9-79.9-173.8-169.800111.9I659 V666 R667I659-E663 HydrophobicContact CG2-CG 4.22Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.24Å; I659-E663 WeakPolarHBondContact O-CB 3.47Å; I659-E663 WeakPolarHBondContact O-CG 3.46Å; I659-E663 PolarHBondContact O-N 2.86Å; E663-V666 PolarHBondContact O-N 3.41Å; E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.42Å; E663-R667 PolarHBondContact O-N 3.47Å; E663-R667 IonicContact OE2-NH2 3.91Å
664Q95Very high87.4Confident76 Ų7687.8 Ų87.836%0.35545%0.451SS..Hα-helixtrans-65.3-42.8177.7-17959.417.400111.2L660 S661 L662 V666 R667 E668L660-Q664 VanDerWaalsContact O-CB 3.32Å; L660-Q664 WeakPolarHBondContact O-CB 3.41Å; L660-Q664 PolarHBondContact O-N 2.96Å; S661-Q664 PolarHBondContact O-N 3.17Å; L662-Q664 PolarHBondContact O-N 2.76Å; Q664-V666 VanDerWaalsContact C-N 3.32Å; Q664-V666 PolarHBondContact O-N 2.94Å; Q664-R667 WeakPolarHBondContact O-CB 3.36Å; Q664-R667 PolarHBondContact O-N 3.41Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.48Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.4Å; Q664-E668 WeakPolarHBondContact O-CG 3.01Å; Q664-E668 PolarHBondContact O-N 3.29Å
665Q93.4Very high85.6Confident79 Ų7989.5 Ų89.537%0.36947%0.467SS..Hα-helixtrans-63.3-37175.5-171.8-179.610500112.5S661 L662 R669S661-Q665 WeakPolarHBondContact O-CB 3.36Å; S661-Q665 PolarHBondContact O-N 2.95Å; L662-Q665 PolarHBondContact O-N 3.21Å; Q665-R669 WeakPolarHBondContact O-CB 3.43Å; Q665-R669 WeakPolarHBondContact O-CG 3.43Å; Q665-R669 PolarHBondContact O-N 2.71Å
666V94.6Very high83.7Confident81 Ų8191.4 Ų91.449%0.49148%0.483SS..Hα-helixtrans-68-42.8173.5166.90000110.6L662 E663 Q664 R669 N670L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.31Å; L662-V666 PolarHBondContact O-N 3.46Å; E663-V666 PolarHBondContact O-N 3.41Å; Q664-V666 VanDerWaalsContact C-N 3.32Å; Q664-V666 PolarHBondContact O-N 2.94Å; V666-R669 PolarHBondContact O-N 3.32Å; V666-N670 WeakPolarHBondContact O-CB 3.47Å; V666-N670 PolarHBondContact O-N 3.26Å; V666-N670 PolarHBondContact O-ND2 3.39Å
667R91.2Very high81.8Confident126 Ų12691 Ų9148%0.47548%0.483SS..Hα-helixtrans-61.2-43.9176.6-172.5-179.8-64120.93.9111.5E663 Q664 L671E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.42Å; E663-R667 PolarHBondContact O-N 3.47Å; E663-R667 IonicContact OE2-NH2 3.91Å; Q664-R667 WeakPolarHBondContact O-CB 3.36Å; Q664-R667 PolarHBondContact O-N 3.41Å; R667-L671 PolarHBondContact O-N 3.04Å; R667-L671 VanDerWaalsContact O-N 3.1Å
668E87.9Confident79.8Confident118 Ų11894.7 Ų94.755%0.55150%0.495SS*.Hα-helixtrans-66.4-47.7176.3-74.4170.6-169.800112.5Q664 N670 L671Q664-E668 WeakPolarHBondContact CG-OE1 3.48Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.4Å; Q664-E668 WeakPolarHBondContact O-CG 3.01Å; Q664-E668 PolarHBondContact O-N 3.29Å; E668-N670 VanDerWaalsContact C-N 3.29Å; E668-N670 PolarHBondContact O-N 3.41Å; E668-L671 WeakPolarHBondContact O-CB 3.32Å; E668-L671 PolarHBondContact O-N 3.24Å; E668-L671 VanDerWaalsContact O-N 3.15Å
669R82.6Confident77.8Confident165 Ų165100 Ų10062%0.62352%0.517SS*.Hα-helixtrans-66.3-28.5178.4-73.3-162.8-167.1107.34.8113.8Q665 V666Q665-R669 WeakPolarHBondContact O-CB 3.43Å; Q665-R669 WeakPolarHBondContact O-CG 3.43Å; Q665-R669 PolarHBondContact O-N 2.71Å; V666-R669 PolarHBondContact O-N 3.32Å
670N72.9Confident75.9Confident117 Ų117104.4 Ų104.463%0.62653%0.528SS*.Hα-helixtrans-88.2-5.8175.7-72.5-76.5000113.3V666 E668 N672V666-N670 WeakPolarHBondContact O-CB 3.47Å; V666-N670 PolarHBondContact O-N 3.26Å; V666-N670 PolarHBondContact O-ND2 3.39Å; E668-N670 VanDerWaalsContact C-N 3.29Å; E668-N670 PolarHBondContact O-N 3.41Å; N670-N672 PolarHBondContact O-N 3.44Å
671L66.1Low73.9Confident133 Ų133108.3 Ų108.370%0.69654%0.535SS*.SBendtrans-74.693.4173.7-127.172.1000110.2R667 E668R667-L671 PolarHBondContact O-N 3.04Å; R667-L671 VanDerWaalsContact O-N 3.1Å; E668-L671 WeakPolarHBondContact O-CB 3.32Å; E668-L671 PolarHBondContact O-N 3.24Å; E668-L671 VanDerWaalsContact O-N 3.15Å
672N58.3Low71.8Confident93 Ų93111 Ų11150%0.49754%0.54SS..  trans65.686.3175.2-169.32.5000115.2N670 K674 A675 A676N670-N672 PolarHBondContact O-N 3.44Å; N672-K674 PolarHBondContact O-N 3.49Å; N672-K674 VanDerWaalsContact O-N 3.07Å; N672-K674 WeakPolarHBondContact OD1-CB 3.44Å; N672-K674 PolarHBondContact OD1-N 3.15Å; N672-K674 VanDerWaalsContact OD1-N 3.14Å; N672-A675 HydrophobicContact CB-CB 4.17Å; N672-A675 WeakPolarHBondContact O-CB 3.23Å; N672-A675 PolarHBondContact O-N 3.19Å; N672-A675 PolarHBondContact OD1-N 3.08Å; N672-A676 PolarHBondContact O-N 3.24Å
673P62Low69.7Low95 Ų95113.2 Ų113.262%0.61755%0.549SS*.Hα-helixtrans-60.4-20.317623.9-34.2000114.2C677P673-C677 WeakPolarHBondContact O-CB 3.49Å; P673-C677 PolarHBondContact O-N 2.85Å; P673-C677 VanDerWaalsContact O-N 3.09Å
674K56.4Low67.4Low167 Ų167115.9 Ų115.973%0.72656%0.561SS**Hα-helixtrans-69.4-36.2172.7-64.1-176.1176.3-179.70111.7N672 C677 L678N672-K674 PolarHBondContact O-N 3.49Å; N672-K674 VanDerWaalsContact O-N 3.07Å; N672-K674 WeakPolarHBondContact OD1-CB 3.44Å; N672-K674 PolarHBondContact OD1-N 3.15Å; N672-K674 VanDerWaalsContact OD1-N 3.14Å; K674-C677 PolarHBondContact O-N 3.3Å; K674-L678 WeakPolarHBondContact O-CB 3.31Å; K674-L678 PolarHBondContact O-N 3.46Å
675A60Low65.3Low48 Ų48120.1 Ų120.140%0.39758%0.578SS.*Hα-helixtrans-68.6-44.4175.800000111.6N672 C677 L678 K679N672-A675 HydrophobicContact CB-CB 4.17Å; N672-A675 WeakPolarHBondContact O-CB 3.23Å; N672-A675 PolarHBondContact O-N 3.19Å; N672-A675 PolarHBondContact OD1-N 3.08Å; A675-C677 VanDerWaalsContact C-N 3.26Å; A675-C677 PolarHBondContact O-N 3.38Å; A675-L678 PolarHBondContact O-N 3.42Å; A675-K679 PolarHBondContact O-N 2.99Å
676A58.7Low62.9Low53 Ų53121.9 Ų121.944%0.43859%0.594SS.*Hα-helixtrans-62.3-31175.500000113.2N672N672-A676 PolarHBondContact O-N 3.24Å
677C58.9Low60.5Low78 Ų78123.3 Ų123.353%0.52761%0.608SS.*Hα-helixtrans-78.4-35.4174.3-156.90000112.7P673 K674 A675 R681P673-C677 WeakPolarHBondContact O-CB 3.49Å; P673-C677 PolarHBondContact O-N 2.85Å; P673-C677 VanDerWaalsContact O-N 3.09Å; K674-C677 PolarHBondContact O-N 3.3Å; A675-C677 VanDerWaalsContact C-N 3.26Å; A675-C677 PolarHBondContact O-N 3.38Å; C677-R681 PolarHBondContact O-N 2.57Å
678L56.1Low58.2Low124 Ų124120.6 Ų120.665%0.64962%0.619SS**Hα-helixtrans-64.5-47.2174.1-111137.1000111.9K674 A675 R680 R681 E682K674-L678 WeakPolarHBondContact O-CB 3.31Å; K674-L678 PolarHBondContact O-N 3.46Å; A675-L678 PolarHBondContact O-N 3.42Å; L678-R680 PolarHBondContact O-N 3.05Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 WeakPolarHBondContact O-CA 3.44Å; L678-R681 WeakPolarHBondContact O-CB 3.33Å; L678-R681 PolarHBondContact O-N 2.84Å; L678-E682 PolarHBondContact O-N 2.89Å
679K55.1Low55.8Low126 Ų126119.7 Ų119.755%0.54863%0.626SS.*Hα-helixtrans-60.2-41.4179.7-177.2167.8175171.50112.7A675 R681 E682 E683A675-K679 PolarHBondContact O-N 2.99Å; K679-R681 PolarHBondContact O-N 2.9Å; K679-E682 WeakPolarHBondContact O-CB 3.24Å; K679-E682 PolarHBondContact O-N 3.45Å; K679-E683 WeakPolarHBondContact CE-OE1 3.44Å; K679-E683 WeakPolarHBondContact CG-OE1 3.04Å; K679-E683 IonicContact NZ-OE1 3.77Å; K679-E683 PolarHBondContact O-N 3.41Å; K679-E683 VanDerWaalsContact O-N 3.11Å
680R58.2Low53.4Low185 Ų185117.6 Ų117.670%0.69864%0.637SS**Hα-helixtrans-66.1-17.2174.1-72.6-166.6-64.2168.92.5114.2L678L678-R680 PolarHBondContact O-N 3.05Å
681R54.8Low51.6Low182 Ų182117.5 Ų117.569%0.68765%0.645SS**Hα-helixtrans-95.4-19.6174.9-158178.2-165.8-172.75.1113.2C677 L678 K679C677-R681 PolarHBondContact O-N 2.57Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 WeakPolarHBondContact O-CA 3.44Å; L678-R681 WeakPolarHBondContact O-CB 3.33Å; L678-R681 PolarHBondContact O-N 2.84Å; K679-R681 PolarHBondContact O-N 2.9Å
682E52.5Low49.9Very low130 Ų130119.1 Ų119.161%0.60765%0.654SS**Hα-helixtrans-72.8-48.1171-176.3-175162.900110.4L678 K679 E684 K685 V686L678-E682 PolarHBondContact O-N 2.89Å; K679-E682 WeakPolarHBondContact O-CB 3.24Å; K679-E682 PolarHBondContact O-N 3.45Å; E682-E684 VanDerWaalsContact C-N 3.3Å; E682-E684 PolarHBondContact O-N 2.75Å; E682-K685 PolarHBondContact O-N 2.69Å; E682-V686 PolarHBondContact O-N 2.81Å; E682-V686 VanDerWaalsContact O-N 3.15Å
683E52.3Low48.8Very low110 Ų110118 Ų11851%0.51466%0.658SS.*Hα-helixtrans-63.1-34.1179.2-69.3172.7-161.700112.5K679 K685K679-E683 WeakPolarHBondContact CE-OE1 3.44Å; K679-E683 WeakPolarHBondContact CG-OE1 3.04Å; K679-E683 IonicContact NZ-OE1 3.77Å; K679-E683 PolarHBondContact O-N 3.41Å; K679-E683 VanDerWaalsContact O-N 3.11Å; E683-K685 VanDerWaalsContact C-N 3.3Å; E683-K685 PolarHBondContact O-N 3.42Å
684E48.4Very low47.5Very low147 Ų147121.8 Ų121.869%0.68767%0.667SS**Hα-helixtrans-65-31.1171.8-168.9-177.3-167.400112.6E682E682-E684 VanDerWaalsContact C-N 3.3Å; E682-E684 PolarHBondContact O-N 2.75Å
685K50.1Low46.5Very low165 Ų165122 Ų12272%0.71767%0.671SS**Hα-helixtrans-86-22.3-178.6-80.7-160.1167.7-157.90114.8E682 E683E682-K685 PolarHBondContact O-N 2.69Å; E683-K685 VanDerWaalsContact C-N 3.3Å; E683-K685 PolarHBondContact O-N 3.42Å
686V44.6Very low45.1Very low116 Ų116122.6 Ų122.670%0.70368%0.682SS**Hα-helixtrans-88.9-12-179.885.40000113.6E682E682-V686 PolarHBondContact O-N 2.81Å; E682-V686 VanDerWaalsContact O-N 3.15Å
687S43Very low43.8Very low111 Ų111129.4 Ų129.478%0.77670%0.704SS**SBendtrans-84.8-9172.6-159.40000113.7
688G42.3Very low42.7Very low69 Ų69132.3 Ų132.371%0.71172%0.719SS**SBendtrans-89.8-2.5-172.100000116.6
689S39.3Very low41.5Very low100 Ų100130 Ų13070%0.69973%0.726SS**  trans-143.263.5-168.866.50000114.4
690S31.5Very low40.4Very low121 Ų121130.6 Ų130.685%0.84674%0.74SS**  trans-136.985.9155.9-175.50000109.1
691S34.6Very low39.5Very low114 Ų114130.3 Ų130.380%0.79775%0.746SS**  trans-68.4134.5172.352.10000111
692D30Very low39.2Very low167 Ų167127.2 Ų127.289%0.89375%0.749SS**  trans-105.4156.5143.9-155.8-8.3000108.4
693A36.8Very low38.1Very low69 Ų69124.1 Ų124.157%0.5775%0.753SS**  trans-123.9157.2-158.700000114.9
694Q34.5Very low37.5Very low175 Ų175126.3 Ų126.382%0.81877%0.767SS**  trans79.8148.4170.9-48-175.6-88.800114.8
695Q34.1Very low36.9Very low171 Ų171125.2 Ų125.280%0.79977%0.771SS**  cis-151.6135.114.5-154.5158.4-2300113.5
696G30.9Very low36.1Very low61 Ų61123.7 Ų123.763%0.62977%0.77SS**  trans56128.3148.400000121.6
697H31.6Very low36.1Very low197 Ų197124.1 Ų124.191%0.91277%0.773SS**  -169167.9108.1-97-66.7000111.1
698T35.1Very low36Very low138 Ų138124.4 Ų124.485%0.84778%0.776SS**  trans-105.3142.3-163.150.40000113.9
699G31.2Very low36.2Very low77 Ų77128.8 Ų128.879%0.79478%0.783SS**  trans-15784.618000000115.1
700V32.6Very low37Very low137 Ų137128.8 Ų128.883%0.8378%0.78SS**  trans-51.2134-176.8176.90000115.9
701H38.4Very low37.2Very low179 Ų179131.6 Ų131.683%0.82978%0.782SS**  trans-85.1147.7157.9-103.4-80.5000110.7
702P48.5Very low37.6Very low117 Ų117129 Ų12976%0.7677%0.773SS**  -151.7147.5118.335.8-18.7000117.1
703G30.9Very low37.9Very low66 Ų66129.9 Ų129.968%0.6877%0.772SS**  trans82.5160.5157.900000117.4
704L38.7Very low38.2Very low156 Ų156137.5 Ų137.582%0.81780%0.801SS**  cis-163.7154.3-7.7-110172.4000109.2
705T37.1Very low38.3Very low124 Ų124135.6 Ų135.676%0.76180%0.8SS**  trans59.1161.5159.748.50000119
706D33.3Very low38.6Very low132 Ų132133.7 Ų133.771%0.70680%0.8SS**  cis-154.5173.3-42.1-151.4-48.2000107.4
707T42.8Very low39Very low125 Ų125137.8 Ų137.877%0.76781%0.81SS**  trans-49.7137.3173.451.70000115.3
708S42.6Very low39.4Very low118 Ų118134.3 Ų134.383%0.82580%0.804SS**  trans-168.8117.2143.235.60000111.9
709N46.7Very low39.7Very low161 Ų161134.1 Ų134.186%0.86180%0.801SS**  trans-154.4106.4161.6-176.236.3000109.8
710P55.7Low40.3Very low99 Ų99137.9 Ų137.964%0.64380%0.802SS**  trans-134.5119.6174.234.6-16.6000114.5
711M36.2Very low40.8Very low181 Ų181137.9 Ų137.989%0.89280%0.8SS**  trans62.4154.4163.9-96.1497200117.4
712G42.3Very low41Very low58 Ų58134.8 Ų134.860%0.59880%0.798SS**  cis150.2162.3-200000111.3
713H36.4Very low40.4Very low187 Ų187136.3 Ų136.387%0.86680%0.801SS**  trans63.7144-166.4-86.7-86.2000114.2
714L42.1Very low41.2Very low228 Ų228142.6 Ų142.6100%1.19481%0.812SS**  cis-115.100.7-99.5160.9000111.3

Retrieved 714 of 714 residues in 905.4 ms (Link to these results)