A0A5K4FAJ4_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low35.5Very low233 Ų233155 Ų155100%1.14883%0.83SS**  0105.70-172.7170.8-173.900107.2
2V36.9Very low35Very low139 Ų139151.8 Ų151.884%0.84283%0.829SS**  trans-91.7108.5-178.6178.80000107.7R4V2-R4 PolarHBondContact O-N 3.5Å
3V36.2Very low35.2Very low128 Ų128149.2 Ų149.278%0.77682%0.824SS**  trans-73.4104.8177.5-178.10000107.8S5V3-S5 PolarHBondContact O-N 3.31Å
4R36.3Very low35Very low223 Ų223145.8 Ų145.884%0.84282%0.816SS**  trans-75.8108.3169.3-70.3-178-176.3-177.51107.7V2 M6V2-R4 PolarHBondContact O-N 3.5Å; R4-M6 PolarHBondContact O-N 3.41Å; R4-M6 VanDerWaalsContact O-N 3.14Å
5S33.5Very low35.1Very low118 Ų118142.4 Ų142.483%0.82581%0.814SS**  trans-65.5109.6168-174.60000108.3V3 G7V3-S5 PolarHBondContact O-N 3.31Å; S5-G7 PolarHBondContact O-N 3.29Å
6M38.4Very low34.9Very low158 Ų158140.6 Ų140.678%0.77881%0.807SS**  trans-74109.6176.4-69.2-126.4-73.500108.4R4 H8R4-M6 PolarHBondContact O-N 3.41Å; R4-M6 VanDerWaalsContact O-N 3.14Å; M6-H8 PolarHBondContact O-N 3.45Å; M6-H8 VanDerWaalsContact O-N 3.1Å
7G33.7Very low34.8Very low73 Ų73135.9 Ų135.975%0.75380%0.796SS**  trans-61.8109.5171.300000110.3S5 K9S5-G7 PolarHBondContact O-N 3.29Å; G7-K9 PolarHBondContact O-N 3.33Å
8H33.7Very low34.6Very low165 Ų165134.7 Ų134.776%0.76479%0.791SS**  trans-72.395.9166.9-77.7-80.7000108.8M6 T10M6-H8 PolarHBondContact O-N 3.45Å; M6-H8 VanDerWaalsContact O-N 3.1Å; H8-T10 VanDerWaalsContact C-N 3.32Å; H8-T10 PolarHBondContact O-N 3.5Å; H8-T10 VanDerWaalsContact O-N 3.12Å
9K35.1Very low34.8Very low195 Ų195137.1 Ų137.185%0.84880%0.798SS**  trans-7288.3159.6-76.9-178.1175.9-1780107.9G7 N11G7-K9 PolarHBondContact O-N 3.33Å; K9-N11 PolarHBondContact O-N 3.35Å
10T35.7Very low34.9Very low126 Ų126138.1 Ų138.177%0.77380%0.8SS**  trans-80.7108.5164.444.60000108.2H8 S12H8-T10 VanDerWaalsContact C-N 3.32Å; H8-T10 PolarHBondContact O-N 3.5Å; H8-T10 VanDerWaalsContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.31Å
11N32.7Very low34.7Very low147 Ų147139.5 Ų139.579%0.78681%0.805SS**  trans-50.6126.6177.2-63.4-55.2000111.4K9 P13K9-N11 PolarHBondContact O-N 3.35Å; N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.49Å
12S29.1Very low34.4Very low116 Ų116131.7 Ų131.781%0.81178%0.784SS**  trans-58.1118.5166.2-53.90000109.5T10 S14T10-S12 PolarHBondContact O-N 3.31Å; S12-S14 PolarHBondContact O-N 3.39Å; S12-S14 VanDerWaalsContact O-N 3.14Å
13P38.5Very low33.9Very low118 Ų118128.5 Ų128.577%0.76678%0.779SS**  trans-69.2112.2163.1-6.823.8000106.5N11 A15N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-A15 PolarHBondContact O-N 3.27Å
14S32.3Very low33.4Very low102 Ų102126.8 Ų126.871%0.71379%0.787SS**  trans-57.382.9160.6173.50000108.4S12 T16S12-S14 PolarHBondContact O-N 3.39Å; S12-S14 VanDerWaalsContact O-N 3.14Å; S14-T16 PolarHBondContact O-N 3.37Å; S14-T16 PolarHBondContact OG-OG1 3.23Å
15A35.9Very low33.1Very low95 Ų95119.8 Ų119.879%0.78579%0.785SS**  trans-77.378.6167.100000107.2P13 G17P13-A15 PolarHBondContact O-N 3.27Å; A15-G17 PolarHBondContact O-N 3.16Å
16T32.5Very low33Very low114 Ų114117.6 Ų117.670%0.69978%0.781SS**  trans-68.269.5164.4-41.10000107.5S14 T18S14-T16 PolarHBondContact O-N 3.37Å; S14-T16 PolarHBondContact OG-OG1 3.23Å; T16-T18 PolarHBondContact O-N 3.28Å
17G32.1Very low32.7Very low60 Ų60118.8 Ų118.862%0.61978%0.784SS**  trans-77.398.5170.300000107.7A15 L19A15-G17 PolarHBondContact O-N 3.16Å; G17-L19 PolarHBondContact O-N 3.15Å; G17-L19 VanDerWaalsContact O-N 3.13Å
18T31.8Very low32.8Very low115 Ų115122.3 Ų122.371%0.70678%0.78SS**  trans-53.1116.1168.629.70000109.2T16 L20T16-T18 PolarHBondContact O-N 3.28Å; T18-L20 PolarHBondContact O-N 3.44Å
19L38.6Very low33.1Very low179 Ų179120.7 Ų120.794%0.93778%0.777SS**  trans-6585168.3-63.3170.8000107.8G17 N21G17-L19 PolarHBondContact O-N 3.15Å; G17-L19 VanDerWaalsContact O-N 3.13Å; L19-N21 PolarHBondContact O-N 3.12Å
20L36.7Very low33.3Very low157 Ų157117.6 Ų117.682%0.82277%0.767SS**  trans-68.4101.3168-82.3160.8000107.5T18 G22T18-L20 PolarHBondContact O-N 3.44Å; L20-G22 PolarHBondContact O-N 3.15Å; L20-G22 VanDerWaalsContact O-N 3.14Å
21N31.2Very low33.5Very low169 Ų169118.9 Ų118.990%0.90477%0.768SS**  trans-36.7108.1164.1-169.19000111.4L19L19-N21 PolarHBondContact O-N 3.12Å
22G31.2Very low33.7Very low69 Ų69116.5 Ų116.571%0.71176%0.763SS**  trans-158.794.9-178.600000111.5L20L20-G22 PolarHBondContact O-N 3.15Å; L20-G22 VanDerWaalsContact O-N 3.14Å
23G26.2Very low34.3Very low72 Ų72117.5 Ų117.574%0.74276%0.759SS**  trans77.4104.1149.900000116.3G25G23-G25 PolarHBondContact O-N 3.28Å
24G26.6Very low34.5Very low91 Ų91115.5 Ų115.594%0.93875%0.753SS**  trans-53.9129.7160.300000110.7
25G29.7Very low35Very low77 Ų77117.5 Ų117.579%0.79476%0.755SS**  trans177.788-179.600000110.3G23G23-G25 PolarHBondContact O-N 3.28Å
26G32.1Very low35.4Very low72 Ų72118.7 Ų118.774%0.74275%0.753SS**  trans82.796.3172.200000112.5H28G26-H28 PolarHBondContact O-N 3.23Å
27H32.2Very low35.8Very low183 Ų183120.5 Ų120.585%0.84776%0.755SS**  trans-60.178.5150.6-79.6-109.2000107.8L29H27-L29 HydrophobicContact CB-CD1 4.22Å; H27-L29 PolarHBondContact O-N 3.32Å
28H34.7Very low36.9Very low146 Ų146124.8 Ų124.868%0.67676%0.764SS**  trans-68.585.2150.2-158.5122.2000103.2G26 M30G26-H28 PolarHBondContact O-N 3.23Å; H28-M30 WeakPolarHBondContact CD2-CE 3.35Å; H28-M30 WeakPolarHBondContact NE2-CE 3.28Å; H28-M30 PolarHBondContact O-N 3.21Å
29L39.5Very low37.7Very low132 Ų132125.9 Ų125.969%0.69176%0.764SS**  trans-56.394.6157.4-86114.2000103.9H27 L31H27-L29 HydrophobicContact CB-CD1 4.22Å; H27-L29 PolarHBondContact O-N 3.32Å; L29-L31 PolarHBondContact O-N 3.26Å
30M39.5Very low38.1Very low129 Ų129122.3 Ų122.364%0.63575%0.752SS**  trans-56.391.1157.1-67.3-10110200103.1H28 S32H28-M30 WeakPolarHBondContact CD2-CE 3.35Å; H28-M30 WeakPolarHBondContact NE2-CE 3.28Å; H28-M30 PolarHBondContact O-N 3.21Å; M30-S32 PolarHBondContact O-N 3.02Å; M30-S32 PolarHBondContact O-OG 3.2Å
31L40.1Very low38.8Very low154 Ų154121 Ų12181%0.80675%0.746SS**  trans-57.584.4161.3-81.8147.7000103.8L29 N33L29-L31 PolarHBondContact O-N 3.26Å; L31-N33 PolarHBondContact O-N 3.16Å
32S38.2Very low39.5Very low96 Ų96118.8 Ų118.867%0.67174%0.738SS**THydrogen-bonded Turntrans-72.4102.6-174.3-60.80000103.1M30M30-S32 PolarHBondContact O-N 3.02Å; M30-S32 PolarHBondContact O-OG 3.2Å
33N40.9Very low40.1Very low138 Ų138121.3 Ų121.374%0.73874%0.74SS**THydrogen-bonded Turntrans5369.8170.8-54.5-0.5000111.6L31 D35L31-N33 PolarHBondContact O-N 3.16Å; N33-D35 PolarHBondContact O-N 2.76Å
34A42.2Very low41Very low76 Ų76121.8 Ų121.863%0.62873%0.728SS**  trans-57.2107.4146.200000104.4V36A34-V36 VanDerWaalsContact C-N 3.27Å; A34-V36 PolarHBondContact O-N 2.78Å
35D43.7Very low41.7Very low143 Ų143123.5 Ų123.577%0.76572%0.723SS**  trans-46.797.3177.3-64.4-59000107.6N33 M37N33-D35 PolarHBondContact O-N 2.76Å; D35-M37 PolarHBondContact O-N 3.38Å
36V44.8Very low42.6Very low121 Ų121123.5 Ų123.573%0.73372%0.722SS**  trans-68.392168-175.60000102.2A34 D38A34-V36 VanDerWaalsContact C-N 3.27Å; A34-V36 PolarHBondContact O-N 2.78Å; V36-D38 PolarHBondContact O-N 2.93Å
37M39.4Very low42.9Very low151 Ų151123.4 Ų123.474%0.74472%0.722SS**  trans-58.599.7165.8-71.9-114.3-77.400104.4D35 L39D35-M37 PolarHBondContact O-N 3.38Å; M37-L39 PolarHBondContact O-N 3.24Å
38D55.5Low43.4Very low150 Ų150124.6 Ų124.680%0.80272%0.719SS**  trans-60.783167.1-81.5-23.7000106.2V36V36-D38 PolarHBondContact O-N 2.93Å
39L48.8Very low43.9Very low138 Ų138123 Ų12372%0.72372%0.718SS**  trans-63.4136.1168.4-80.5154.1000106.5M37 D41M37-L39 PolarHBondContact O-N 3.24Å; L39-D41 PolarHBondContact O-N 3.32Å
40P46.8Very low44.2Very low105 Ų105121 Ų12168%0.68271%0.712SS**  trans-58.4136.5-17924.5-33000109.5V42P40-V42 PolarHBondContact O-N 2.84Å
41D52.3Low44.5Very low129 Ų129118.3 Ų118.369%0.6971%0.71SS**  trans-49106172.9-71.1-41.6000108.9L39 V43L39-D41 PolarHBondContact O-N 3.32Å; D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 2.83Å
42V45.6Very low44.6Very low123 Ų123118.2 Ų118.275%0.74570%0.703SS**  trans-70.998.6173.6-179.10000105.8P40 V44P40-V42 PolarHBondContact O-N 2.84Å; V42-V44 VanDerWaalsContact C-N 3.32Å; V42-V44 PolarHBondContact O-N 2.96Å
43V44Very low44.8Very low122 Ų122120.3 Ų120.374%0.73971%0.707SS**  trans-67.696.7172.4-178.20000107.1D41 P45D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 2.83Å; V43-P45 WeakPolarHBondContact O-CD 3.41Å
44V45.2Very low44.7Very low82 Ų82123.3 Ų123.350%0.49771%0.71SS.*  trans-68.5124.7168.4-176.50000107V42 G46 G47V42-V44 VanDerWaalsContact C-N 3.32Å; V42-V44 PolarHBondContact O-N 2.96Å; V44-G46 PolarHBondContact O-N 2.8Å; V44-G46 VanDerWaalsContact O-N 3.09Å; V44-G47 PolarHBondContact O-N 2.83Å; V44-G47 VanDerWaalsContact O-N 3.13Å
45P41.4Very low44.9Very low127 Ų127123.3 Ų123.383%0.82571%0.705SS**THydrogen-bonded Turntrans-51.2120.3170.5-2433.3000109.2V43V43-P45 WeakPolarHBondContact O-CD 3.41Å
46G47.1Very low44.7Very low76 Ų76119.9 Ų119.978%0.78470%0.703SS**THydrogen-bonded Turntrans109.77.9-172.600000116.1V44 R48V44-G46 PolarHBondContact O-N 2.8Å; V44-G46 VanDerWaalsContact O-N 3.09Å; G46-R48 PolarHBondContact O-N 2.8Å
47G39.3Very low44.4Very low71 Ų71120.5 Ų120.573%0.73270%0.702SS**SBendtrans72.729150.600000116.8V44V44-G47 PolarHBondContact O-N 2.83Å; V44-G47 VanDerWaalsContact O-N 3.13Å
48R43.5Very low44.4Very low208 Ų208119.4 Ų119.479%0.78570%0.704SS**  trans-109.199.7165-66.1-171.1-176.9-166.61.7109.3G46 V50G46-R48 PolarHBondContact O-N 2.8Å; R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 2.77Å
49V44.1Very low43.8Very low111 Ų111120.2 Ų120.267%0.67371%0.708SS**  trans-64101.4163.6179.10000106.5A51V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.77Å
50V45.2Very low43.1Very low91 Ų91116.3 Ų116.355%0.55270%0.701SS**  trans-8688.2168.2-170.80000105.3R48 F52R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 2.77Å; V50-F52 HydrophobicContact CB-CE2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.33Å; V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.11Å; V50-F52 WeakPolarHBondContact O-CD2 3.4Å; V50-F52 PolarHBondContact O-N 2.95Å
51A47Very low42.6Very low73 Ų73114.1 Ų114.160%0.60370%0.697SS**  trans-63.3106.5168.400000107V49 N53V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.77Å; A51-N53 PolarHBondContact O-N 3.38Å
52F42.7Very low41.8Very low151 Ų151115.5 Ų115.566%0.66271%0.705SS**  trans-71.480.9166.6-68.5-82.4000106.9V50 Y54V50-F52 HydrophobicContact CB-CE2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.33Å; V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.11Å; V50-F52 WeakPolarHBondContact O-CD2 3.4Å; V50-F52 PolarHBondContact O-N 2.95Å; F52-Y54 HydrophobicContact CB-CD2 4.15Å; F52-Y54 HydrophobicContact CB-CE2 3.71Å; F52-Y54 WeakPolarHBondContact O-CD2 3.48Å; F52-Y54 PolarHBondContact O-N 2.85Å
53N42.2Very low41.2Very low141 Ų141114.8 Ų114.875%0.75470%0.701SS**  trans-71.189.4171.1-135.3-28000106A51 S55A51-N53 PolarHBondContact O-N 3.38Å; N53-S55 PolarHBondContact O-N 2.86Å
54Y38.9Very low41Very low200 Ų200115.6 Ų115.678%0.78470%0.7SS**  trans-70.262.4161.7-62.8-82000107.7F52 G56F52-Y54 HydrophobicContact CB-CD2 4.15Å; F52-Y54 HydrophobicContact CB-CE2 3.71Å; F52-Y54 WeakPolarHBondContact O-CD2 3.48Å; F52-Y54 PolarHBondContact O-N 2.85Å; Y54-G56 PolarHBondContact O-N 2.84Å
55S45.3Very low40.4Very low77 Ų77122.9 Ų122.954%0.53872%0.719SS.*  trans-56.5116.5150.658.60000104.2N53 N57N53-S55 PolarHBondContact O-N 2.86Å; S55-N57 PolarHBondContact O-N 3.44Å
56G39.8Very low39.8Very low70 Ų70123.9 Ų123.972%0.72271%0.712SS**  trans-62.137.1-17700000114.8Y54 T58Y54-G56 PolarHBondContact O-N 2.84Å; G56-T58 PolarHBondContact O-N 2.91Å
57N37.5Very low38.9Very low134 Ų134126.6 Ų126.672%0.71771%0.709SS**  trans-75.781.1162.9-70.55.9000106.7S55 L59S55-N57 PolarHBondContact O-N 3.44Å; N57-L59 VanDerWaalsContact C-N 3.29Å; N57-L59 PolarHBondContact O-N 2.75Å
58T40.9Very low38.4Very low128 Ų128131.3 Ų131.379%0.78571%0.711SS**  trans-40.8100.2154.3-55.90000107.8G56 G60G56-T58 PolarHBondContact O-N 2.91Å; T58-G60 PolarHBondContact O-N 2.91Å
59L43.1Very low37.7Very low168 Ų168128.6 Ų128.688%0.8871%0.713SS**  trans25.359.6167.8-64.5165.8000111.9N57 G61N57-L59 VanDerWaalsContact C-N 3.29Å; N57-L59 PolarHBondContact O-N 2.75Å; L59-G61 PolarHBondContact O-N 2.95Å
60G34Very low36.9Very low55 Ų55130.6 Ų130.657%0.56772%0.719SS**  trans-63.1108177.100000104.6T58 N62T58-G60 PolarHBondContact O-N 2.91Å; G60-N62 VanDerWaalsContact C-N 3.35Å; G60-N62 PolarHBondContact O-N 2.95Å
61G35.4Very low35.9Very low59 Ų59130 Ų13061%0.60873%0.725SS**  trans-49.798.2-169.700000111.3L59 T63L59-G61 PolarHBondContact O-N 2.95Å; G61-T63 PolarHBondContact O-N 3.17Å
62N35Very low34.8Very low158 Ų158130 Ų13085%0.84573%0.731SS**  trans-72.155.4145.3-75.5-8.7000106.8G60 L64G60-N62 VanDerWaalsContact C-N 3.35Å; G60-N62 PolarHBondContact O-N 2.95Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact O-N 3.07Å
63T34.5Very low33.9Very low109 Ų109132.4 Ų132.467%0.66974%0.737SS**  trans-59.3113.1144.635.50000103.2G61 R65G61-T63 PolarHBondContact O-N 3.17Å; T63-R65 PolarHBondContact O-N 2.92Å
64L38.3Very low33Very low139 Ų139131.8 Ų131.873%0.72874%0.738SS**  trans-36.6105.3155.3-95.563.7000104.9N62 H66N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-L64 VanDerWaalsContact O-N 3.07Å; L64-H66 PolarHBondContact O-CD2 2.84Å; L64-H66 PolarHBondContact O-N 2.93Å
65R32.2Very low32.3Very low234 Ų234129.4 Ų129.488%0.88374%0.739SS**  trans-6890.4169.9-66.3-18091.6-159.87.6101.9T63 N67T63-R65 PolarHBondContact O-N 2.92Å; R65-N67 PolarHBondContact O-N 2.86Å
66H30Very low31.3Very low149 Ų149131 Ų13169%0.6975%0.746SS**  trans-48.3105.4160.6-78-100.7000102.8L64 H68L64-H66 PolarHBondContact O-CD2 2.84Å; L64-H66 PolarHBondContact O-N 2.93Å; H66-H68 PolarHBondContact O-N 2.93Å
67N28.6Very low30.7Very low132 Ų132135 Ų13571%0.70675%0.751SS**  trans-64.988.6-178.6-161.2-7.9000104.1R65 N69R65-N67 PolarHBondContact O-N 2.86Å; N67-N69 PolarHBondContact O-N 2.85Å
68H28.8Very low30Very low170 Ų170139.2 Ų139.279%0.78776%0.758SS**  trans-63.396.6163.3-91.4100.6000102.9H66 N70H66-H68 PolarHBondContact O-N 2.93Å; H68-N70 PolarHBondContact O-N 3.18Å
69N27.7Very low29.2Very low152 Ų152141.2 Ų141.281%0.81376%0.763SS**  trans-51.981.6170-76.3-43.7000108N67N67-N69 PolarHBondContact O-N 2.85Å
70N26.9Very low28.2Very low152 Ų152138.6 Ų138.681%0.81376%0.759SS**  trans-89.6109161.3-161.120.4000104.7H68 G72H68-N70 PolarHBondContact O-N 3.18Å; N70-G72 VanDerWaalsContact C-N 3.32Å; N70-G72 PolarHBondContact O-N 2.93Å
71A25.7Very low27.7Very low80 Ų80143.3 Ų143.366%0.66177%0.771SS**  trans-55.988.2-174.700000111.5
72G23Very low27.2Very low71 Ų71144.9 Ų144.973%0.73278%0.778SS**  trans-113.484.1172.800000109N70 T74N70-G72 VanDerWaalsContact C-N 3.32Å; N70-G72 PolarHBondContact O-N 2.93Å; G72-T74 PolarHBondContact O-N 3.3Å
73Y23.6Very low26.9Very low202 Ų202145.5 Ų145.579%0.79278%0.776SS**  trans-43.4123170.3-59.7-95.2000111.8
74T23.8Very low26.6Very low128 Ų128147.7 Ų147.779%0.78578%0.784SS**  trans167.694.5135.736.20000110.8G72G72-T74 PolarHBondContact O-N 3.3Å
75N24.1Very low26Very low150 Ų150149.3 Ų149.380%0.80279%0.794SS**  169.785.2127.9-97.3-54.2000110N77N75-N77 PolarHBondContact O-N 2.8Å
76T24.4Very low25.6Very low112 Ų112146.1 Ų146.169%0.68779%0.788SS**  23.186.6123.5-27.30000116.5
77N26.8Very low25.5Very low154 Ų154145.5 Ų145.582%0.82480%0.795SS**  trans-157.268140.3-97.4-23.2000107.8N75 L79N75-N77 PolarHBondContact O-N 2.8Å; N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 2.99Å
78Y23Very low25.3Very low222 Ų222146.4 Ų146.487%0.87180%0.797SS**  trans-71.391.7167.2-72.3-83.6000108.1S80Y78-S80 PolarHBondContact O-N 2.89Å
79L24.9Very low25.2Very low169 Ų169145.7 Ų145.789%0.88580%0.798SS**  trans-73.6102.9152-113.275.1000106.8N77 N81N77-L79 VanDerWaalsContact C-N 3.32Å; N77-L79 PolarHBondContact O-N 2.99Å; L79-N81 PolarHBondContact O-N 3.28Å; L79-N81 VanDerWaalsContact O-N 3.16Å
80S22.1Very low25.1Very low114 Ų114144.2 Ų144.280%0.79779%0.794SS**  trans-62.3107.1175.9-157.80000109.1Y78Y78-S80 PolarHBondContact O-N 2.89Å
81N23.7Very low25.2Very low153 Ų153143.9 Ų143.982%0.81879%0.793SS**  trans-143.581.2156.3-131.55000109.6L79 Q83L79-N81 PolarHBondContact O-N 3.28Å; L79-N81 VanDerWaalsContact O-N 3.16Å; N81-Q83 PolarHBondContact O-N 3.34Å
82A24.3Very low25.3Very low92 Ų92146.3 Ų146.376%0.7680%0.799SS**  trans-7394165.100000108.3
83Q27.9Very low25.5Very low172 Ų172149.7 Ų149.780%0.80480%0.8SS**  trans-169.1117.5153.8-108.4168.23.700109.6N81N81-Q83 PolarHBondContact O-N 3.34Å
84N28Very low25.5Very low155 Ų155143 Ų14383%0.82979%0.792SS**  trans73.5129.5173.2-73.7-56.4000117.9Q86N84-Q86 PolarHBondContact O-N 3.08Å
85N27.6Very low25.5Very low173 Ų173143 Ų14393%0.92579%0.792SS**SBendtrans-67.552.9-179.3-72.3-28.8000113.7
86Q23.9Very low25.7Very low166 Ų166141.3 Ų141.378%0.77679%0.788SS**  trans-110.8107.2164.1-74-161.2-36.600108.2N84 M88N84-Q86 PolarHBondContact O-N 3.08Å; Q86-M88 PolarHBondContact O-N 2.86Å
87V26.1Very low25.6Very low136 Ų136140.8 Ų140.882%0.82479%0.788SS**  trans-6086.3154.9-176.70000105.2L89V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 2.93Å
88M24.6Very low25.7Very low152 Ų152140.2 Ų140.275%0.74978%0.784SS**  trans-62.7104.2160.5-79.6-15676.700104.3Q86 T90Q86-M88 PolarHBondContact O-N 2.86Å; M88-T90 PolarHBondContact O-N 3.02Å
89L26.9Very low25.9Very low155 Ų155136.6 Ų136.681%0.81278%0.78SS**  trans-55.498.1158.1-79.4129.8000105V87 N91V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 2.93Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.18Å
90T26.9Very low26.1Very low120 Ų120135.5 Ų135.574%0.73678%0.775SS**  trans-53.1106.1169.4-58.60000104.9M88 V92M88-T90 PolarHBondContact O-N 3.02Å; T90-V92 VanDerWaalsContact C-N 3.29Å; T90-V92 WeakPolarHBondContact O-CG2 3.43Å; T90-V92 PolarHBondContact O-N 3.21Å
91N27.4Very low26.4Very low145 Ų145135.5 Ų135.578%0.77577%0.774SS**  trans-59.7100.5179.5-151.7-3.1000104.8L89 N93L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.18Å; N91-N93 PolarHBondContact O-N 2.8Å
92V28.9Very low26.5Very low132 Ų132132.5 Ų132.580%0.878%0.779SS**  trans-71.190.4-179.8-168.20000104T90 G94T90-V92 VanDerWaalsContact C-N 3.29Å; T90-V92 WeakPolarHBondContact O-CG2 3.43Å; T90-V92 PolarHBondContact O-N 3.21Å; V92-G94 PolarHBondContact O-N 2.92Å
93N26.8Very low26.6Very low142 Ų142133.6 Ų133.676%0.75978%0.777SS**  trans-71.776178.1-141.9-5.1000106N91 T95N91-N93 PolarHBondContact O-N 2.8Å; N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 PolarHBondContact O-N 3.29Å
94G24.6Very low26.6Very low60 Ų60133 Ų13362%0.61978%0.778SS**  trans-69.291.4174.900000107.7V92 V96V92-G94 PolarHBondContact O-N 2.92Å; G94-V96 VanDerWaalsContact C-N 3.32Å; G94-V96 PolarHBondContact O-N 2.79Å
95T23.7Very low26.4Very low128 Ų128131.5 Ų131.579%0.78578%0.775SS**  trans-65.693.8169.544.60000108.4N93 S97N93-T95 VanDerWaalsContact C-N 3.29Å; N93-T95 PolarHBondContact O-N 3.29Å; T95-S97 PolarHBondContact O-N 2.92Å
96V27.2Very low26.3Very low116 Ų116128.5 Ų128.570%0.70376%0.763SS**  trans-76112.8164-173.90000106G94 L98G94-V96 VanDerWaalsContact C-N 3.32Å; G94-V96 PolarHBondContact O-N 2.79Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 HydrophobicContact CG1-CG 4.46Å; V96-L98 PolarHBondContact O-N 2.84Å
97S23.6Very low26.4Very low101 Ų101126.5 Ų126.571%0.70676%0.762SS**  trans-68.585.2178.3-177.50000109.9T95 N99T95-S97 PolarHBondContact O-N 2.92Å; S97-N99 PolarHBondContact O-N 3.05Å
98L28.2Very low26.3Very low141 Ų141125.3 Ų125.374%0.73876%0.755SS**  trans-79.391170-73.3149.4000108V96 N100V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 HydrophobicContact CG1-CG 4.46Å; V96-L98 PolarHBondContact O-N 2.84Å; L98-N100 PolarHBondContact O-N 2.85Å
99N27.5Very low26.2Very low147 Ų147122 Ų12279%0.78675%0.752SS**  trans-65.9126.3158.1-76.4-46.9000106.7S97S97-N99 PolarHBondContact O-N 3.05Å
100N28.4Very low26Very low146 Ų146125.8 Ų125.878%0.78176%0.755SS**SBendtrans84.3136.9-173.4-77.7-11000117L98L98-N100 PolarHBondContact O-N 2.85Å
101C27.9Very low25.9Very low114 Ų114125.7 Ų125.777%0.7775%0.754SS**  trans60.392.7177.163.50000116.6T103C101-T103 PolarHBondContact O-N 2.88Å
102G26.2Very low25.8Very low89 Ų89122.3 Ų122.392%0.91875%0.754SS**  trans-64.691.2169.200000112
103T27.3Very low25.6Very low116 Ų116123.7 Ų123.771%0.71275%0.752SS**  trans-142.1103.6157.6-34.70000107.3C101 V105C101-T103 PolarHBondContact O-N 2.88Å; T103-V105 PolarHBondContact O-N 2.79Å
104N26.7Very low25.6Very low158 Ų158124.3 Ų124.385%0.84576%0.755SS**  trans-63.399171.4-78.7-34.6000108.4T106N104-T106 VanDerWaalsContact C-N 3.27Å; N104-T106 PolarHBondContact O-N 2.89Å
105V24.2Very low25.7Very low125 Ų125127.1 Ų127.176%0.75876%0.76SS**  trans-74.990168.7-174.10000106.9T103 T107T103-V105 PolarHBondContact O-N 2.79Å; V105-T107 PolarHBondContact O-N 2.91Å; V105-T107 VanDerWaalsContact O-N 3.17Å
106T25.5Very low25.7Very low110 Ų110128.9 Ų128.968%0.67576%0.762SS**  trans-77.897.4171.3-53.70000107.1N104 V108N104-T106 VanDerWaalsContact C-N 3.27Å; N104-T106 PolarHBondContact O-N 2.89Å; T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.9Å
107T25Very low25.7Very low123 Ų123128.5 Ų128.576%0.75576%0.761SS**  trans-71.391.1170.9-44.80000107.9V105 A109V105-T107 PolarHBondContact O-N 2.91Å; V105-T107 VanDerWaalsContact O-N 3.17Å; T107-A109 PolarHBondContact O-N 3.06Å
108V24.6Very low25.9Very low111 Ų111131.4 Ų131.467%0.67377%0.768SS**  trans-71.399.3168.1-170.60000106.3T106 R110T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.9Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.71Å
109A23.7Very low25.9Very low82 Ų82131.1 Ų131.168%0.67877%0.772SS**  trans-58.4101.9165.300000107T107 T111T107-A109 PolarHBondContact O-N 3.06Å; A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.41Å
110R20.9Very low25.9Very low236 Ų236128.6 Ų128.689%0.89177%0.766SS**  trans-66.198.1169.6-64.2-174.4-162-154.65.2105.7V108 G112V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.71Å; R110-G112 VanDerWaalsContact C-N 3.31Å; R110-G112 PolarHBondContact O-N 2.89Å
111T26.4Very low25.8Very low117 Ų117129.3 Ų129.372%0.71877%0.77SS**  trans-57.2103.1161.944.60000106.2A109 Q113A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.41Å; T111-Q113 PolarHBondContact O-N 3.02Å
112G24.1Very low26Very low74 Ų74131.5 Ų131.576%0.76377%0.768SS**  trans-61.190.2169.400000108.1R110 N114R110-G112 VanDerWaalsContact C-N 3.31Å; R110-G112 PolarHBondContact O-N 2.89Å; G112-N114 PolarHBondContact O-N 3.02Å
113Q25.1Very low26Very low161 Ų161133.8 Ų133.875%0.75276%0.759SS**  trans-68.474.6163.5-75.7178-29.700107.4T111 T115T111-Q113 PolarHBondContact O-N 3.02Å; Q113-T115 PolarHBondContact O-N 3.05Å
114N26.2Very low26.2Very low156 Ų156133.7 Ų133.783%0.83475%0.753SS**  trans-75.584.8148.7-89.7-48.6000105.7G112 M116G112-N114 PolarHBondContact O-N 3.02Å; N114-M116 PolarHBondContact O-N 2.78Å
115T26.9Very low26.2Very low118 Ų118134 Ų13472%0.72475%0.75SS**  trans-54.290162.6340000108.1Q113 P117Q113-T115 PolarHBondContact O-N 3.05Å; T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.44Å
116M23.3Very low26.5Very low166 Ų166136.2 Ų136.282%0.81875%0.751SS**  trans-59.4116.6153.4-80.5-104.3-7500105.9N114 L118N114-M116 PolarHBondContact O-N 2.78Å; M116-L118 PolarHBondContact O-N 3.34Å
117P27.6Very low26.5Very low107 Ų107139.5 Ų139.570%0.69576%0.759SS**  trans-59.7118.5173.123.1-29.2000107.1T115 V119T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.26Å
118L27.6Very low26.6Very low163 Ų163139.4 Ų139.485%0.85376%0.763SS**  trans-55.2101.3164.9-101.379.3000106.4M116 S120M116-L118 PolarHBondContact O-N 3.34Å; L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.97Å
119V28.7Very low26.8Very low135 Ų135142.7 Ų142.782%0.81877%0.772SS**  trans-65.598.8162.6-176.70000104.3P117 N121P117-V119 VanDerWaalsContact C-N 3.29Å; P117-V119 PolarHBondContact O-N 3.26Å; V119-N121 PolarHBondContact O-N 2.85Å
120S26.7Very low26.8Very low93 Ų93144.1 Ų144.165%0.6578%0.776SS**  trans-54.5129.3174.4-90.80000108.4L118 E122L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.97Å; S120-E122 PolarHBondContact O-N 2.94Å
121N26.3Very low27.2Very low162 Ų162141 Ų14187%0.86677%0.772SS**  trans-5783.8163.3-81.8-40.2000109V119 L123V119-N121 PolarHBondContact O-N 2.85Å; N121-L123 PolarHBondContact O-N 3.07Å
122E32.3Very low27.1Very low159 Ų159144.7 Ų144.774%0.74378%0.781SS**  trans-75.683.3157.1-70.1-157.8149.100107.2S120 I124S120-E122 PolarHBondContact O-N 2.94Å; E122-I124 HydrophobicContact CB-CD1 4.44Å; E122-I124 HydrophobicContact CB-CG1 4.19Å; E122-I124 PolarHBondContact O-N 2.66Å
123L27.8Very low27.3Very low138 Ų138149.2 Ų149.272%0.72378%0.782SS**  trans-59.575.1160.9-174.474.4000108N121 Q125N121-L123 PolarHBondContact O-N 3.07Å; L123-Q125 HydrophobicContact CG-CG 4.43Å; L123-Q125 PolarHBondContact O-N 2.84Å
124I31.7Very low27.4Very low114 Ų114148.8 Ų148.859%0.58579%0.785SS**  trans-75.686.5170.6-61.3169.6000106.1E122 Q126E122-I124 HydrophobicContact CB-CD1 4.44Å; E122-I124 HydrophobicContact CB-CG1 4.19Å; E122-I124 PolarHBondContact O-N 2.66Å; I124-Q126 HydrophobicContact CG2-CB 4.03Å; I124-Q126 HydrophobicContact CG2-CG 3.73Å; I124-Q126 PolarHBondContact O-N 2.69Å
125Q26.4Very low27.8Very low165 Ų165150.1 Ų150.177%0.77179%0.786SS**  trans-58.786.9155-78.716778.300107.6L123L123-Q125 HydrophobicContact CG-CG 4.43Å; L123-Q125 PolarHBondContact O-N 2.84Å
126Q29.5Very low27.9Very low170 Ų170147.5 Ų147.579%0.79478%0.777SS**  trans-113.7106.8162.2-85.6-167.187.200110.1I124I124-Q126 HydrophobicContact CG2-CB 4.03Å; I124-Q126 HydrophobicContact CG2-CG 3.73Å; I124-Q126 PolarHBondContact O-N 2.69Å
127Q26.7Very low28Very low179 Ų179149.2 Ų149.284%0.83678%0.776SS**  trans-17.8131.4167.1-75.4166.8-17.400116.6Q129Q127-Q129 PolarHBondContact O-N 2.8Å
128S25.5Very low28.1Very low121 Ų121150.6 Ų150.685%0.84678%0.777SS**  trans-46.9110.5160.4-40.80000111.8
129Q29.7Very low28Very low181 Ų181152.8 Ų152.885%0.84678%0.776SS**  trans-114.192.8153.2-77.9-166.927.200108.7Q127 Q131Q127-Q129 PolarHBondContact O-N 2.8Å; Q129-Q131 PolarHBondContact O-N 3.13Å
130S23.5Very low28Very low111 Ų111154 Ų15478%0.77677%0.772SS**  trans-62.8109.2158.945.60000109.7
131Q29.5Very low27.9Very low170 Ų170155.3 Ų155.379%0.79478%0.777SS**  trans-139.3107.7147.6-78.8-149.585.800109.5Q129 Q133Q129-Q131 PolarHBondContact O-N 3.13Å; Q131-Q133 PolarHBondContact O-N 3.47Å
132Q24.7Very low28Very low195 Ų195154 Ų15491%0.91177%0.769SS**  trans-55.7113.7163.1-70.3164.3-1.100108.4
133Q28.8Very low27.9Very low170 Ų170151.7 Ų151.779%0.79477%0.769SS**  trans-124.6122150.1-80-166.225.500109.7Q131 E135Q131-Q133 PolarHBondContact O-N 3.47Å; Q133-E135 PolarHBondContact O-N 3.23Å
134N26.7Very low28Very low151 Ų151151.1 Ų151.181%0.80777%0.771SS**  trans-87.191.7-170.9179.334000107.1
135E34.3Very low27.8Very low184 Ų184155.3 Ų155.386%0.8679%0.785SS**  trans-101.795.9169.9-76.3-178152.500109Q133Q133-E135 PolarHBondContact O-N 3.23Å
136A28.8Very low27.8Very low64 Ų64150.6 Ų150.653%0.52978%0.781SS.*  trans-81.7138178.100000109.8
137Y25.4Very low27.6Very low201 Ų201151.5 Ų151.579%0.78879%0.785SS**  trans59.7111.8156.9-64.9-84.5000119.6
138N29.5Very low27.8Very low137 Ų137148.2 Ų148.273%0.73378%0.782SS**  -152.3102.9119.3-141.4-68.3000111.6Q140N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.16Å
139Y25.3Very low28Very low209 Ų209148.7 Ų148.782%0.8278%0.779SS**  trans-7296.8161.4-83.9-91.2000107.6
140Q28.5Very low28Very low159 Ų159145.1 Ų145.174%0.74377%0.774SS**  trans-10589.4166.2-161.9141.49.400109.3N138 N142N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.16Å; Q140-N142 PolarHBondContact O-N 2.88Å
141T25.8Very low28.2Very low121 Ų121148 Ų14874%0.74278%0.777SS**  trans-57.6113.8164.145.70000109.2
142N27.2Very low28.2Very low134 Ų134143.6 Ų143.672%0.71777%0.771SS**  trans-127.2105.9162.7-120.85.8000108.6Q140 V144Q140-N142 PolarHBondContact O-N 2.88Å; N142-V144 PolarHBondContact O-N 3.11Å
143P31Very low28.4Very low112 Ų112140.3 Ų140.373%0.72776%0.764SS**  trans-79.4104172.130.1-27.9000108.3
144V29.1Very low28.5Very low126 Ų126140.6 Ų140.676%0.76477%0.767SS**  trans-117.3105.2168.3-179.80000108.1N142N142-V144 PolarHBondContact O-N 3.11Å
145F27.6Very low28.6Very low202 Ų202139.2 Ų139.289%0.88676%0.764SS**  trans-43.1135.2160.5-78-102000111
146G26.3Very low28.4Very low66 Ų66134.4 Ų134.468%0.6876%0.756SS**  trans157.572.6169.600000113.6S148G146-S148 PolarHBondContact O-N 3.11Å
147E26.2Very low28.5Very low188 Ų188136.3 Ų136.388%0.87977%0.766SS**  trans-0109.3148.8-62.1172.9168.600115.7
148S29.5Very low28.7Very low110 Ų110135.9 Ų135.977%0.76977%0.77SS**  trans-140.686.5155.8-63.80000106.8G146 S150G146-S148 PolarHBondContact O-N 3.11Å; S148-S150 PolarHBondContact O-N 3.42Å
149V31.6Very low28.8Very low131 Ų131134 Ų13479%0.79477%0.768SS**  trans-70.578.8173.6-171.90000107.6M151V149-M151 HydrophobicContact CG1-CG 4.22Å; V149-M151 PolarHBondContact O-N 3.45Å
150S29Very low29.3Very low107 Ų107130 Ų13075%0.74877%0.768SS**  trans-79.898.8163.1-63.60000107S148 A152S148-S150 PolarHBondContact O-N 3.42Å; S150-A152 PolarHBondContact O-N 2.84Å
151M27.8Very low29.5Very low170 Ų170131.1 Ų131.184%0.83778%0.775SS**  trans-59.590.5167.9-67.4-173.3-72.900108.2V149 V153V149-M151 HydrophobicContact CG1-CG 4.22Å; V149-M151 PolarHBondContact O-N 3.45Å; M151-V153 PolarHBondContact O-N 2.86Å; M151-V153 VanDerWaalsContact O-N 3.16Å
152A28.5Very low30.3Very low79 Ų79133 Ų13365%0.65378%0.78SS**  trans-63.2115.4167.200000106.9S150 M154S150-A152 PolarHBondContact O-N 2.84Å; A152-M154 VanDerWaalsContact C-N 3.28Å; A152-M154 PolarHBondContact O-N 3.11Å
153V29Very low30.7Very low126 Ų126135.5 Ų135.576%0.76479%0.79SS**  trans-54.192.8169.4177.60000107.7M151 T155M151-V153 PolarHBondContact O-N 2.86Å; M151-V153 VanDerWaalsContact O-N 3.16Å; V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; V153-T155 PolarHBondContact O-N 2.95Å
154M32.1Very low31Very low175 Ų175136.3 Ų136.386%0.86279%0.792SS**  trans-7591.4168.2-65-169.6-14200106.6A152 A156A152-M154 VanDerWaalsContact C-N 3.28Å; A152-M154 PolarHBondContact O-N 3.11Å; M154-A156 PolarHBondContact O-N 2.7Å
155T28.1Very low31.2Very low122 Ų122139 Ų13975%0.74880%0.797SS**  trans-6485.3159.238.80000107.2V153 S157V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; V153-T155 PolarHBondContact O-N 2.95Å; T155-S157 VanDerWaalsContact C-N 3.32Å; T155-S157 PolarHBondContact O-N 3.32Å
156A30.6Very low31.5Very low84 Ų84135.2 Ų135.269%0.69480%0.795SS**  trans-65.698.6168.900000107.4M154 Q158M154-A156 PolarHBondContact O-N 2.7Å; A156-Q158 PolarHBondContact O-N 2.74Å
157S30.5Very low31.8Very low104 Ų104141 Ų14173%0.72781%0.807SS**  trans-51.699.4167.452.20000109.6T155 S159T155-S157 VanDerWaalsContact C-N 3.32Å; T155-S157 PolarHBondContact O-N 3.32Å; S157-S159 PolarHBondContact O-N 3.07Å; S157-S159 VanDerWaalsContact O-N 3.09Å
158Q29.5Very low32.2Very low191 Ų191136.2 Ų136.289%0.89380%0.799SS**  trans-71.4100.6168.6-68.9-178.826.100107.6A156A156-Q158 PolarHBondContact O-N 2.74Å
159S32.5Very low32.5Very low97 Ų97135.9 Ų135.968%0.67880%0.795SS**  trans-76136.7168.3-63.30000108.8S157 M161S157-S159 PolarHBondContact O-N 3.07Å; S157-S159 VanDerWaalsContact O-N 3.09Å; S159-M161 PolarHBondContact O-N 3.26Å
160P35Very low32.6Very low125 Ų125137.1 Ų137.181%0.81280%0.797SS**  trans-61.3125.3-179.4-19.430.2000111.3L162P160-L162 PolarHBondContact O-N 3.35Å; P160-L162 VanDerWaalsContact O-N 3.12Å
161M33.6Very low32.9Very low183 Ų183141.8 Ų141.890%0.90180%0.799SS**  trans-65.1110172.8-70.2-172.9-56.500109.5S159 M163S159-M161 PolarHBondContact O-N 3.26Å; M161-M163 PolarHBondContact O-N 2.97Å
162L40.9Very low33.1Very low162 Ų162136.9 Ų136.985%0.84879%0.793SS**  trans-65113.1166.2-68.5167.2000107.8P160 T164P160-L162 PolarHBondContact O-N 3.35Å; P160-L162 VanDerWaalsContact O-N 3.12Å; L162-T164 PolarHBondContact O-N 3.09Å; L162-T164 VanDerWaalsContact O-N 3.13Å
163M36.5Very low33.4Very low186 Ų186138.7 Ų138.792%0.91680%0.801SS**  trans-61.6115.2173.3-66.7-174.7-170.900108.6M161 Q165M161-M163 PolarHBondContact O-N 2.97Å; M163-Q165 PolarHBondContact O-N 3.27Å
164T37.7Very low33.6Very low128 Ų128141 Ų14179%0.78580%0.803SS**  trans-69.4126.6177.846.20000109.1L162 S166L162-T164 PolarHBondContact O-N 3.09Å; L162-T164 VanDerWaalsContact O-N 3.13Å; T164-S166 PolarHBondContact O-N 2.97Å
165Q33Very low33.6Very low184 Ų184136.5 Ų136.586%0.8679%0.793SS**  trans-64.7116.6178.7-64.9-135.2108.500110.3M163 M167M163-Q165 PolarHBondContact O-N 3.27Å; Q165-M167 PolarHBondContact O-N 2.95Å; Q165-M167 VanDerWaalsContact O-N 3.14Å
166S33.4Very low33.9Very low122 Ų122137.4 Ų137.485%0.85379%0.794SS**  trans-59.1112.6172.4-43.40000109.6T164 A168T164-S166 PolarHBondContact O-N 2.97Å; S166-A168 PolarHBondContact O-N 3.39Å
167M33.2Very low33.6Very low186 Ų186141.6 Ų141.692%0.91680%0.799SS**  trans-72.7113.3173.2-60.3-179.1-16400108.1Q165Q165-M167 PolarHBondContact O-N 2.95Å; Q165-M167 VanDerWaalsContact O-N 3.14Å
168A34.8Very low33.7Very low88 Ų88142.7 Ų142.773%0.72780%0.801SS**  trans-62137.8171.200000109.9S166 N170S166-A168 PolarHBondContact O-N 3.39Å; A168-N170 PolarHBondContact O-N 2.97Å
169P35.9Very low33.6Very low103 Ų103137.7 Ų137.767%0.66979%0.792SS**  trans-58.6121.8-179.3-22.731.7000111.7Y171P169-Y171 WeakPolarHBondContact O-CD2 3.13Å; P169-Y171 PolarHBondContact O-N 3.35Å
170N32.8Very low33.2Very low157 Ų157141.6 Ų141.684%0.8480%0.8SS**  trans-75.8100.9175-170.76.5000108.8A168 G172A168-N170 PolarHBondContact O-N 2.97Å; N170-G172 PolarHBondContact O-N 3.45Å
171Y36.4Very low33Very low205 Ų205141.5 Ų141.580%0.80480%0.802SS**  trans-66.1113.5174.4-73.6-85.9000109.4P169 S173P169-Y171 WeakPolarHBondContact O-CD2 3.13Å; P169-Y171 PolarHBondContact O-N 3.35Å; Y171-S173 PolarHBondContact O-N 3.3Å
172G31.8Very low32.8Very low68 Ų68138.4 Ų138.470%0.70179%0.789SS**  trans-55.2124.7178.200000111.7N170 E174N170-G172 PolarHBondContact O-N 3.45Å; G172-E174 PolarHBondContact O-N 3.19Å; G172-E174 VanDerWaalsContact O-N 3.16Å
173S34.3Very low32.2Very low117 Ų117139.2 Ų139.282%0.81879%0.786SS**  trans-79.586.1170.831.20000108.6Y171 A175Y171-S173 PolarHBondContact O-N 3.3Å; S173-A175 VanDerWaalsContact C-N 3.31Å; S173-A175 PolarHBondContact O-N 3.05Å
174E33.1Very low32Very low175 Ų175135.9 Ų135.982%0.81878%0.781SS**  trans-73.194166.8-68.4-170.4170.200108.9G172 N176G172-E174 PolarHBondContact O-N 3.19Å; G172-E174 VanDerWaalsContact O-N 3.16Å; E174-N176 VanDerWaalsContact C-N 3.31Å; E174-N176 PolarHBondContact O-N 2.85Å
175A33.1Very low31.4Very low79 Ų79137.6 Ų137.665%0.65379%0.786SS**  trans-64.685.9169.900000110.3S173 H177S173-A175 VanDerWaalsContact C-N 3.31Å; S173-A175 PolarHBondContact O-N 3.05Å; A175-H177 PolarHBondContact O-N 3.23Å
176N32.5Very low31.2Very low142 Ų142134.2 Ų134.276%0.75978%0.778SS**  trans-87.284.9164.4-102.8-53.7000109.9E174E174-N176 VanDerWaalsContact C-N 3.31Å; E174-N176 PolarHBondContact O-N 2.85Å
177H26.3Very low31Very low171 Ų171135.3 Ų135.379%0.79277%0.774SS**  trans-82.997.6161.7-73.1-79.2000109.3A175A175-H177 PolarHBondContact O-N 3.23Å
178V31.2Very low30.7Very low127 Ų127132.7 Ų132.777%0.7777%0.768SS**  trans-144.7115.9158.8-168.70000112
179A27.3Very low30.5Very low86 Ų86136.4 Ų136.471%0.71177%0.771SS**  trans60.6102.8146.800000120.2S181A179-S181 PolarHBondContact O-N 3.4Å
180Q24.6Very low30.2Very low180 Ų180140 Ų14084%0.84178%0.779SS**  trans-15.9111.8132-67.9167.4-18.300114
181S31.9Very low30Very low123 Ų123139.3 Ų139.386%0.8677%0.773SS**  trans-105.6114.3153.160.80000108.3A179A179-S181 PolarHBondContact O-N 3.4Å
182N28.2Very low29.8Very low118 Ų118137 Ų13763%0.63178%0.775SS**  trans-93135.6-172.7-104.9-36.3000109.4
183F29.2Very low29.6Very low178 Ų178141.4 Ų141.478%0.78178%0.777SS**  trans54.2116.3154.7-64.4-84.2000120.2
184S31.5Very low29.5Very low117 Ų117143.9 Ų143.982%0.81878%0.781SS**  trans-15893.3132-86.50000110.3
185N24.5Very low29.3Very low164 Ų164141.9 Ų141.988%0.87778%0.775SS**  trans-90.4104.9161.5-98.7-25000107.1
186T29.5Very low29.3Very low113 Ų113144.1 Ų144.169%0.69378%0.783SS**  trans-147.9133.1166.2-290000110.9
187N28.7Very low29.3Very low144 Ų144141.9 Ų141.977%0.7778%0.779SS**  trans83.775.7164-65.3-37000118.6
188T27.3Very low29.4Very low131 Ų131137.1 Ų137.180%0.80478%0.776SS**  -50.5131.4122.937.70000110.5
189Q31Very low29.5Very low167 Ų167139.2 Ų139.278%0.7878%0.777SS**  trans149.7103147.9-78.7-72.832.600108.5
190Q29.8Very low29.5Very low179 Ų179139.7 Ų139.784%0.83678%0.781SS**  trans169.997.3130.1-92.2170.665.500110.3N192Q190-N192 PolarHBondContact O-N 2.9Å
191I28.7Very low29.7Very low141 Ų141140.6 Ų140.672%0.72378%0.778SS**  trans-68.4113.6158.9-65.2161.7000106.3Q193I191-Q193 HydrophobicContact CG2-CG 4.11Å
192N32.6Very low29.7Very low156 Ų156140.9 Ų140.983%0.83477%0.77SS**  trans-122.1106157.5-105.93.9000108.5Q190Q190-N192 PolarHBondContact O-N 2.9Å
193Q27Very low29.7Very low162 Ų162143.8 Ų143.876%0.75778%0.777SS**  trans-71.3167.7164.3-61.7-175.470.200109.7I191I191-Q193 HydrophobicContact CG2-CG 4.11Å
194L31.2Very low30.1Very low169 Ų169140.8 Ų140.889%0.88578%0.776SS**  trans98.298.4168.7-51.5167.9000114.9
195N29.1Very low30Very low132 Ų132141.3 Ų141.371%0.70677%0.774SS**  169.5115.395.1-167.71.3000111.4
196P33.6Very low30.5Very low126 Ų126139.7 Ų139.782%0.81877%0.77SS**  trans-94.3100.9165.932.4-23.8000110.3
197S31.6Very low30.6Very low95 Ų95142.6 Ų142.666%0.66478%0.776SS**  trans-111104.9168.646.80000109.6
198G28.3Very low30.7Very low71 Ų71143.5 Ų143.573%0.73278%0.775SS**  trans-65.6139.3168.100000111.3
199Q33.4Very low31Very low172 Ų172146 Ų14680%0.80478%0.778SS**  trans-138.495.7160.1-73.9-67.13.500107.3
200A28Very low31Very low96 Ų96145.3 Ų145.379%0.79377%0.774SS**  trans-93.4110.6162.700000106.7
201Y29.7Very low31.2Very low199 Ų199145.7 Ų145.778%0.7878%0.775SS**  trans-139.2109.6173.6-125.2-98.8000112.5
202N30.7Very low31.3Very low128 Ų128147.7 Ų147.768%0.68478%0.782SS**  trans56.4115.9140.4-75.4-64.8000123
203K28.5Very low31.7Very low179 Ų179145.6 Ų145.678%0.77878%0.777SS**  trans-69133.6160177.9-172178.9-165.60111.4
204P38.4Very low32Very low116 Ų116147.9 Ų147.975%0.75378%0.778SS**  trans-84.5134.3167.5-4.222000111.8
205T27.9Very low31.8Very low128 Ų128143.8 Ų143.879%0.78577%0.769SS**  trans-104.1124.8172.4-22.40000107.5
206V36.4Very low32.2Very low129 Ų129144.9 Ų144.978%0.78277%0.77SS**  trans-129.3103.6173.5-106.40000110.5
207Q31.7Very low32.1Very low175 Ų175143.7 Ų143.782%0.81877%0.765SS**  trans32.3109.9137.2-56.9-179.515.900117.5
208Q30.3Very low32.4Very low163 Ų163147.8 Ų147.876%0.76277%0.773SS**  54.193.378.1-69.9-89.196.800113.7
209Q34.3Very low32.3Very low184 Ų184153.3 Ų153.386%0.8677%0.773SS**  trans-136.5116.9151.1-79.7-126.957.200110.5
210H30.4Very low32.1Very low151 Ų151153 Ų15370%0.69977%0.77SS**  trans-65.5133.3174.8-86.6-115.6000112.1
211H34.7Very low32.6Very low187 Ų187153.3 Ų153.387%0.86676%0.764SS**  trans-154.9106.1142.5-75.9100.6000110.2
212Q29.5Very low32.9Very low184 Ų184149.6 Ų149.686%0.8676%0.764SS**  trans-117.1172155.2-112.1-167.520.600105.4
213P40.5Very low33.2Very low111 Ų111150.3 Ų150.372%0.72177%0.773SS**  cis-135.1167.2-9.837.5-20.5000113
214R33.2Very low33.2Very low210 Ų210150.3 Ų150.379%0.79278%0.776SS**  trans-160.2107.3143.3-163.9161.9155.4156.7-7.5112.2
215A28.7Very low32.9Very low84 Ų84153.9 Ų153.969%0.69478%0.782SS**  trans-73.5139.8165.100000110.3
216Q36.9Very low33Very low155 Ų155152.4 Ų152.472%0.72478%0.777SS**  trans-135106.5150.9-75.1-154.8-19.100109.1
217S30.5Very low32.6Very low101 Ų101155 Ų15571%0.70678%0.781SS**  trans-84.3125.5171.3-49.50000109
218Q37.8Very low32.7Very low181 Ų181153 Ų15385%0.84678%0.781SS**  trans-127.487.6163.6-70.8-88.340.100105.1
219Y28.1Very low32.6Very low187 Ų187151.3 Ų151.373%0.73378%0.777SS**  64.19892-104.3-101.4000116.3
220F28.9Very low32.6Very low166 Ų166150.8 Ų150.873%0.72878%0.779SS**  78.4156.8128.1-89.6-91.5000120.4
221P37.1Very low32.7Very low102 Ų102150.9 Ų150.966%0.66278%0.783SS**  -126.9-169.1-9650.8-35.7000111.9
222P36Very low32.8Very low120 Ų120150.6 Ų150.678%0.77978%0.782SS**  trans-86.2142.7-16433.2-29.8000114.3
223T36.8Very low32.9Very low143 Ų143147.3 Ų147.388%0.87778%0.777SS**  trans-85.1113.6172.546.50000111.1
224Q28.6Very low32.4Very low180 Ų180151.5 Ų151.584%0.84179%0.787SS**  trans-75.2146.9158.6-65.7-118.389.400110.2
225Q31.8Very low32.4Very low191 Ų191146.2 Ų146.289%0.89378%0.78SS**  trans155.2139.6156.5-92.4-178.3-6.600107.7
226S30.8Very low32.4Very low97 Ų97150.6 Ų150.668%0.67879%0.786SS**  cis-163.7146-2.7-74.20000106.9
227Q28.7Very low32.1Very low184 Ų184150.5 Ų150.586%0.8679%0.789SS**  trans-70.5135.4167.5-63.2172.3-2.600110.2
228T33Very low32.1Very low132 Ų132149.2 Ų149.281%0.8178%0.784SS**  trans-142.5111.3156.7-53.80000110.6
229N28.9Very low31.8Very low127 Ų127148.9 Ų148.968%0.67978%0.782SS**  trans-56.8137.5165-73.8-66000112
230L33.8Very low31.8Very low173 Ų173144.4 Ų144.491%0.90678%0.779SS**  trans-147.187.8147.4-93166.6000108.2
231I33.5Very low32Very low153 Ų153146.8 Ų146.879%0.78579%0.789SS**PPolyproline II helixtrans-76.3125.8168-69.8166.4000107.6
232Q35.7Very low31.7Very low181 Ų181150.4 Ų150.485%0.84680%0.797SS**PPolyproline II helixtrans-84.4140.6179.4-166.5170.256.200110.6
233P30.7Very low31.3Very low116 Ų116153.2 Ų153.275%0.75380%0.8SS**PPolyproline II helixtrans-91.4139.8-17633.9-31.6000112.4
234Q31.5Very low31.6Very low199 Ų199151 Ų15193%0.9379%0.788SS**  trans-142.5145.7151.1-108.5-167.2-51.200111.8
235P33.5Very low31.7Very low99 Ų99147.1 Ų147.164%0.64378%0.781SS**  trans-106.7156-158.126.6-8.3000114.3
236Q27.4Very low31.6Very low175 Ų175144.5 Ų144.582%0.81877%0.773SS**  trans37.7131.3134.8-52.5179.9-26.900119.5
237I31.9Very low31.6Very low154 Ų154148.3 Ų148.379%0.7978%0.778SS**  167.4137.9102.2-80.4167.6000110.9
238A29.3Very low31.7Very low74 Ų74148.5 Ų148.561%0.61278%0.778SS**  trans66.8105.5152.700000120.3
239Q32.1Very low31.5Very low173 Ų173150.3 Ų150.381%0.80878%0.776SS**  77.89583-77.2180-13.500112.7
240S26.9Very low31.8Very low94 Ų94153.1 Ų153.166%0.65778%0.784SS**  68.89886.8710000114.1
241F34Very low31.5Very low215 Ų215150.8 Ų150.894%0.94377%0.773SS**  trans-117.1124.4150.6-93.7-85.5000108.9
242Q30.2Very low31.4Very low178 Ų178152.7 Ų152.783%0.83278%0.779SS**  trans-85.7136-177.2-63.5-177.12.300111
243Q28.1Very low31.3Very low179 Ų179149.1 Ų149.184%0.83677%0.771SS**  4.9173.8128.4-85.7-169.59.400120.1
244P43.2Very low31.2Very low96 Ų96151.6 Ų151.662%0.62377%0.773SS**  cis-142.4-171.8-41.436.9-16.3000113.4
245S31.3Very low31.2Very low100 Ų100148.8 Ų148.870%0.69976%0.759SS**  trans103.6138.8138.4-62.30000123.7
246N30Very low30.9Very low136 Ų136151.7 Ų151.773%0.72777%0.765SS**  trans89.2104.1150.8-72-35.3000119.4
247F29.6Very low31.3Very low176 Ų176152.1 Ų152.177%0.77277%0.767SS**  74.5106.678-93.9-84.5000113.7
248Q31.2Very low31.1Very low188 Ų188153.3 Ų153.388%0.87977%0.769SS**  trans-159.5109.8134.4-142.8173.3-19.400111.3
249F29.5Very low31.2Very low171 Ų171157.4 Ų157.475%0.7578%0.78SS**  trans-78.2135.6164.1-93.7-98.5000109.1
250Q34.2Very low31.3Very low185 Ų185155.4 Ų155.486%0.86478%0.779SS**  trans-127.7103.9157.8-171.3159.892.400108.9
251N28.4Very low31.3Very low125 Ų125155.4 Ų155.467%0.66878%0.784SS**  trans-88.3132167.8-93.6-73.2000108.8
252Q31.7Very low31Very low193 Ų193151.3 Ų151.390%0.90277%0.772SS**  trans-146.6115.4148.9-89.7-156.61900110.1
253P32.5Very low31.2Very low106 Ų106150.5 Ų150.569%0.68877%0.769SS**  trans-115.2163.6168.337.6-26.8000113.1
254Q28Very low31.1Very low167 Ų167148 Ų14878%0.7877%0.766SS**  trans96.4145.7152.5-58.8-158.1-2700122
255Q33Very low30.8Very low140 Ų140149.5 Ų149.565%0.65478%0.775SS**  trans96.3108.4157-52-67.164.300116.2
256Q27Very low30.5Very low161 Ų161148.9 Ų148.975%0.75278%0.776SS**  cis93.5119.348.9-167.7-175.5106.500112.7
257Q35.2Very low30.4Very low184 Ų184147.7 Ų147.786%0.8678%0.778SS**  trans145.8109.4158.6-87.6-175.1101.400108.5
258Q27.4Very low30.6Very low178 Ų178146.5 Ų146.583%0.83278%0.78SS**  cis63.8102.248.3-159111.266.600114.1
259L31.1Very low30.4Very low161 Ų161146.3 Ų146.384%0.84378%0.779SS**  trans150.7121.4157.3-107.166.7000104.9
260V35.3Very low30.5Very low131 Ų131147.4 Ų147.479%0.79478%0.784SS**  -158.4123.858.8173.80000107.8
261A26.6Very low30.4Very low93 Ų93146 Ų14677%0.76978%0.778SS**  trans-103.6125.9157.600000106.6
262N28.6Very low30.6Very low129 Ų129146 Ų14669%0.6978%0.784SS**  trans-162.3111.6156.5-112.8-3.7000112.5
263Q32.4Very low30.6Very low162 Ų162145.5 Ų145.576%0.75778%0.782SS**  73104.9129.7-63.2-174.968.300120.4
264T27.9Very low30.4Very low127 Ų127148.1 Ų148.178%0.77979%0.785SS**  trans-20.8149.7136-3.60000115.5
265P35.3Very low30.6Very low126 Ų126148.8 Ų148.882%0.81879%0.788SS**  -144.7148.18234.3-15.9000115.8
266A26.3Very low30.5Very low87 Ų87149.7 Ų149.772%0.71979%0.792SS**  trans-82134.416500000110.6
267S27.9Very low30.7Very low111 Ų111147.6 Ų147.678%0.77680%0.795SS**  trans177.9151143.1-93.50000113.2
268N32.8Very low30.6Very low152 Ų152145.2 Ų145.281%0.81379%0.793SS**  trans101.586.9162.5-59.9-23.1000117.7
269Q27.3Very low30.8Very low184 Ų184145.8 Ų145.886%0.8680%0.795SS**  trans-29.1130.6140.9-57.5174.628.900112.9
270F31.5Very low30.8Very low193 Ų193146.4 Ų146.485%0.84679%0.794SS**  trans-151.2131.9142.4-108.3-82.6000110.6
271H31.5Very low30.7Very low157 Ų157145.9 Ų145.973%0.72780%0.796SS**  trans-18.2145.6-179-59.899.9000122.8
272P34.3Very low30.9Very low125 Ų125149 Ų14981%0.81280%0.795SS**  trans-80.8131.2167.532.8-30.9000111.7
273Q30.7Very low30.9Very low182 Ų182151.4 Ų151.485%0.8580%0.802SS**  trans-114.6132.9163.4-111.1-147.819.600110.7
274Q28.2Very low31Very low160 Ų160150.9 Ų150.975%0.74880%0.8SS**  trans-66.3142.8176.3-59.2-152.265.200111.8
275Q32.1Very low31.1Very low182 Ų182153.8 Ų153.885%0.8580%0.804SS**  trans-153.9118140.7-115.4168.779.700110.8
276Q30.7Very low31.1Very low159 Ų159156.3 Ų156.374%0.74380%0.803SS**  trans-65.5135.2171.2-68.21715.200109.5
277S31.8Very low31.6Very low116 Ų116157.3 Ų157.381%0.81181%0.805SS**  trans-140.687.8159.9-60.70000107.4Q279S277-Q279 PolarHBondContact O-N 3.39Å
278V33.4Very low32Very low134 Ų134160 Ų16081%0.81281%0.809SS**  trans-75.1113167.7-136.20000105.9
279Q31.3Very low32.7Very low190 Ų190158 Ų15889%0.88881%0.805SS**  trans-130113.9166.9-141.517277.600109.6S277S277-Q279 PolarHBondContact O-N 3.39Å
280Q31.3Very low33.7Very low174 Ų174154.9 Ų154.981%0.81380%0.801SS**  trans-61.8126177.9-63.6167.811.100109.9
281S33.3Very low34.3Very low120 Ų120151.4 Ų151.484%0.83980%0.797SS**  trans-119.19715559.40000108.1
282Q29.9Very low35.1Very low160 Ų160149.6 Ų149.675%0.74880%0.8SS**  trans-53.4163.5163.9-65.1-91.290.600111.4
283Q29.3Very low35.7Very low178 Ų178149.4 Ų149.483%0.83280%0.798SS**  trans101.5105.3159.4-51.6-124.87700115.3
284Q33.5Very low36.2Very low152 Ų152146.9 Ų146.971%0.7180%0.795SS**  173.382.2115.7-83.6-89.576.100107.3F286Q284-F286 PolarHBondContact O-N 2.79Å
285Q31.2Very low36.6Very low187 Ų187145.6 Ų145.687%0.87480%0.803SS**  trans-78.1100.5170.3-177175-26.600107.4S287Q285-S287 PolarHBondContact O-N 3.31Å
286F35.3Very low36.7Very low180 Ų180144.7 Ų144.779%0.78980%0.798SS**  trans-73.8111.9172-92.1-89.9000109.6Q284 L288Q284-F286 PolarHBondContact O-N 2.79Å; F286-L288 PolarHBondContact O-N 2.99Å
287S36Very low36.8Very low108 Ų108143.4 Ų143.476%0.75580%0.796SS**  trans-70.5115.5169.8-470000109.5Q285Q285-S287 PolarHBondContact O-N 3.31Å
288L36Very low37Very low166 Ų166146.6 Ų146.687%0.86980%0.797SS**PPolyproline II helixtrans-70.9135.5169.9-76.5161.3000109.9F286F286-L288 PolarHBondContact O-N 2.99Å
289P47.6Very low36.9Very low111 Ų111148.8 Ų148.872%0.72180%0.799SS**PPolyproline II helixtrans-72.8147.5-179.227.5-32.8000112.7
290P48.6Very low37.1Very low119 Ų119148 Ų14877%0.77380%0.797SS**PPolyproline II helixtrans-74.2151.2-177.828.4-33.5000113.7
291P43.3Very low37Very low120 Ų120145.6 Ų145.678%0.77979%0.79SS**PPolyproline II helixtrans-72151.7-178.127.8-33.5000113.6
292P49.6Very low36.7Very low119 Ų119147.9 Ų147.977%0.77379%0.792SS**PPolyproline II helixtrans-75.4148.7-174.329.2-34.2000113.7
293P46.8Very low37Very low120 Ų120148.2 Ų148.278%0.77979%0.794SS**PPolyproline II helixtrans-76.1137.4-17628.5-33000113.5C295P293-C295 PolarHBondContact O-N 2.99Å
294T41.3Very low37.2Very low130 Ų130148.3 Ų148.380%0.79879%0.794SS**  trans-65111.1170.749.80000111Q296T294-Q296 PolarHBondContact O-N 2.92Å
295C35.5Very low37.3Very low133 Ų133146.2 Ų146.290%0.89980%0.802SS**  trans-79.7115.5168.5-81.40000110.3P293P293-C295 PolarHBondContact O-N 2.99Å
296Q35.3Very low37.5Very low163 Ų163142.5 Ų142.576%0.76279%0.793SS**  trans-75.5132.2174.7-63.7-164.737.700112T294 H298T294-Q296 PolarHBondContact O-N 2.92Å; Q296-H298 PolarHBondContact O-ND1 2.94Å
297L32.2Very low37.5Very low132 Ų132141.8 Ų141.869%0.69180%0.797SS**  trans25108131.2-114.8160.1000117Q299L297-Q299 HydrophobicContact CD2-CG 4.02Å
298H35.7Very low37.3Very low182 Ų182143.8 Ų143.884%0.84380%0.799SS**  trans-128.199154.2-81.879.9000109.2Q296Q296-H298 PolarHBondContact O-ND1 2.94Å
299Q31Very low37.4Very low180 Ų180141.9 Ų141.984%0.84180%0.796SS**  trans-73.8124.1159-81.9175.264.800108.4L297L297-Q299 HydrophobicContact CD2-CG 4.02Å
300M35.4Very low36.5Very low173 Ų173141.4 Ų141.485%0.85280%0.796SS**  trans-141.893165.5-163.5-173.5-61.400106.7
301N29.5Very low35.9Very low125 Ų125144.3 Ų144.367%0.66880%0.799SS**  76.2105.199-158.1-79.4000114.2Q303N301-Q303 PolarHBondContact OD1-NE2 2.74Å; N301-Q303 VanDerWaalsContact OD1-NE2 3.16Å
302L28.7Very low35.3Very low167 Ų167144.6 Ų144.687%0.87480%0.799SS**  trans-59.3129165.3-92.159.8000111.4
303Q35.5Very low34.3Very low168 Ų168148.1 Ų148.179%0.78581%0.805SS**  trans-141.8105.2158.7-101.1161.993.700111.4N301N301-Q303 PolarHBondContact OD1-NE2 2.74Å; N301-Q303 VanDerWaalsContact OD1-NE2 3.16Å
304Q32.7Very low33.7Very low180 Ų180151.3 Ų151.384%0.84181%0.809SS**  trans17.7119.6141-61.2174.930.100118.8
305A36Very low33.2Very low107 Ų107153.7 Ų153.788%0.88481%0.811SS**  trans-130.696.5150.400000109.4
306T34.8Very low32.8Very low110 Ų110154.3 Ų154.368%0.67581%0.806SS**  trans-52.5137.3166.2-450000111.6
307N35.7Very low32.7Very low164 Ų164155.1 Ų155.188%0.87781%0.81SS**  trans-174.4100.3139.3-94.3-48.9000109.9
308L31.6Very low32.7Very low151 Ų151154.6 Ų154.679%0.79181%0.814SS**  trans-112.9117.9174.1-160.677.5000107.8
309P38.1Very low32.8Very low126 Ų126152.8 Ų152.882%0.81882%0.815SS**  trans-84.2119.6172.129.3-27.7000110.2
310S28.9Very low32.9Very low101 Ų101148.8 Ų148.871%0.70681%0.807SS**  trans-104.1115.5172-48.20000107.9
311Q35.5Very low32.4Very low180 Ų180149.5 Ų149.584%0.84181%0.806SS**  trans-138.3101.4165-76.4-149.46400111.8
312T30.5Very low32.4Very low126 Ų126150.5 Ų150.577%0.77381%0.811SS**  trans55.7110.1132.342.40000121
313Q28.9Very low32.4Very low193 Ų193150.9 Ų150.990%0.90281%0.808SS**  trans-59.6140159.4-57-173.265.600113.3
314Q34.4Very low32.2Very low186 Ų186151.3 Ų151.387%0.86981%0.81SS**  trans-132.193.9155.9-75.4-120.459.800106.1
315Q31.5Very low32Very low180 Ų180148.2 Ų148.284%0.84181%0.809SS**  71.6105.690.8-150.1-179.180.500114.7
316N27.8Very low32Very low146 Ų146149.1 Ų149.178%0.78180%0.803SS**  trans-31.3143.1166.9-69.7-25.5000117.9
317Q31.3Very low31.6Very low181 Ų181150.7 Ų150.785%0.84681%0.807SS**  -163.1127.6119.5-89.5-139.739.300111.9
318P34.2Very low31.4Very low120 Ų120150.5 Ų150.578%0.77980%0.801SS**PPolyproline II helixtrans-92.1128.7172.632.3-28.3000112.1
319V37.6Very low31.3Very low144 Ų144152.2 Ų152.287%0.87381%0.805SS**PPolyproline II helixtrans-98.3131.5174-177.80000109.8
320S31.8Very low30.7Very low97 Ų97155.7 Ų155.768%0.67880%0.803SS**PPolyproline II helixtrans-88.2145.6-173.5-160.20000113.1
321F25.6Very low31Very low188 Ų188156.6 Ų156.683%0.82581%0.806SS**  trans13.8125152.8-79.2-97.8000120.4
322N30Very low30.6Very low145 Ų145156.7 Ų156.778%0.77580%0.804SS**  trans-149.1120.9137.6-151.6-58.1000111.4
323Q27.4Very low30.6Very low175 Ų175160.2 Ų160.282%0.81881%0.812SS**  trans-85.3121.8171-71.3-135.799.100109.5
324Q32.4Very low30.6Very low177 Ų177155.6 Ų155.683%0.82780%0.801SS**  trans-128.4110.5162-89.4177.6-52.900110.3
325S27.8Very low30.3Very low115 Ų115155.9 Ų155.980%0.80480%0.802SS**  trans-88.2113.1168.248.90000109.8
326V35.8Very low30.5Very low127 Ų127152.2 Ų152.277%0.7779%0.794SS**  trans-150109.7164.6-1730000112
327N27.2Very low30.4Very low142 Ų142150.1 Ų150.176%0.75979%0.791SS**  trans62.2142.5133.9-133.8-45.9000123
328H31Very low30.5Very low160 Ų160150.9 Ų150.974%0.74180%0.795SS**  trans-82.6142.4-173.1-58.269000111.3
329Q28.9Very low30.3Very low188 Ų188150.9 Ų150.988%0.87979%0.792SS**  trans-159111.5140.9-153.7147.68.900111.9
330Y26.1Very low29.9Very low199 Ų199153 Ų15378%0.7879%0.793SS**  trans-69.9143.3160.2-80.4-95.6000109.3
331P35.2Very low29.8Very low119 Ų119156.4 Ų156.477%0.77380%0.798SS**  -139.1144.9111.426.6-8.7000114
332F27.5Very low30.2Very low182 Ų182153.2 Ų153.280%0.79880%0.796SS**  trans-49.2134.6171.2-81.6-110000113.7
333Q31.2Very low30.4Very low200 Ų200153.7 Ų153.794%0.93580%0.797SS**  trans-142.999.5144.5-152.1171.369.500109.7
334S27.4Very low30.8Very low96 Ų96150.2 Ų150.267%0.67179%0.789SS**  trans-85.8124.7172.941.20000110.1
335Q29.2Very low30.8Very low192 Ų192148.7 Ų148.790%0.89779%0.792SS**  trans-151.4153.5152-88.6-154.11100111.8
336P34.7Very low31.1Very low104 Ų104149.1 Ų149.168%0.67579%0.786SS**  trans-117.2164-141.139.1-26.4000115.2
337S26.1Very low30.7Very low102 Ų102150.4 Ų150.471%0.71378%0.783SS**  trans57.384144.6-560000119V339S337-V339 PolarHBondContact O-N 2.9Å
338Q33.1Very low30.9Very low197 Ų197155.8 Ų155.892%0.92179%0.793SS**  trans-80.791.2153.1-71.7-89.89.400108.3Q340Q338-Q340 PolarHBondContact O-N 2.82Å
339V30.3Very low30.7Very low120 Ų120158.1 Ų158.173%0.72780%0.795SS**  trans-77.597.6169.2-175.60000107.1S337 Q341S337-V339 PolarHBondContact O-N 2.9Å; V339-Q341 PolarHBondContact O-N 2.96Å
340Q30.1Very low30.6Very low189 Ų189157.9 Ų157.988%0.88379%0.794SS**  trans-70.4111.1174.5-168.4114.650.700108.7Q338Q338-Q340 PolarHBondContact O-N 2.82Å
341Q29.4Very low30.7Very low167 Ų167156.8 Ų156.878%0.7880%0.796SS**PPolyproline II helixtrans-62140.4177-73.6-17218.600111.7V339V339-Q341 PolarHBondContact O-N 2.96Å
342P33.8Very low30.5Very low121 Ų121157.1 Ų157.179%0.78680%0.796SS**PPolyproline II helixtrans-71.7125.4173.726.3-29.9000111.1
343I32.9Very low31Very low155 Ų155153.9 Ų153.980%0.79579%0.791SS**PPolyproline II helixtrans-74.2125174.2-61.9172.9000108.5T345I343-T345 PolarHBondContact O-N 2.86Å
344P35.8Very low30.8Very low102 Ų102151.4 Ų151.466%0.66278%0.784SS**PPolyproline II helixtrans-64.8129.2-178.7-19.831.7000112.4D346P344-D346 PolarHBondContact O-N 2.91Å
345T34.4Very low30.8Very low145 Ų145149.9 Ų149.989%0.8978%0.783SS**  trans-85.283.6172.5-510000108.6I343I343-T345 PolarHBondContact O-N 2.86Å
346D32.6Very low30.7Very low124 Ų124149 Ų14966%0.66378%0.779SS**  trans-99.8105.9175.2-97.2-48.6000112.2P344P344-D346 PolarHBondContact O-N 2.91Å
347Q28.2Very low30.4Very low155 Ų155150 Ų15072%0.72478%0.783SS**  trans43.280.2133.7-56.9-170.123.800118.5
348R30.2Very low30.5Very low254 Ų254153 Ų15396%0.95879%0.786SS**  trans-98.492.4147-88.1-85.4-83.8-136.7-8109.5
349R28.4Very low30.3Very low210 Ų210149.2 Ų149.279%0.79278%0.776SS**  trans-42.7131.5171.9-66.4167.962.3-127.5-0112.2Q351R349-Q351 PolarHBondContact O-N 2.91Å
350Q25.9Very low30.1Very low183 Ų183148.7 Ų148.786%0.85578%0.778SS**  trans-14.6107.4150.5-68.5158.154.900113.3
351Q28.7Very low29.9Very low175 Ų175146.4 Ų146.482%0.81877%0.771SS**  trans-11389.2155.3-153.6166.847.800106R349 V353R349-Q351 PolarHBondContact O-N 2.91Å; Q351-V353 HydrophobicContact CG-CG2 4.13Å; Q351-V353 PolarHBondContact O-N 2.92Å
352V31.3Very low29.8Very low127 Ų127142.7 Ų142.777%0.7777%0.768SS**  trans-66.388.6168.8-177.50000105.9
353V36.5Very low29.5Very low113 Ų113142.1 Ų142.169%0.68576%0.762SS**  trans-82.7116.9170.7178.20000106.3Q351 G355Q351-V353 HydrophobicContact CG-CG2 4.13Å; Q351-V353 PolarHBondContact O-N 2.92Å; V353-G355 VanDerWaalsContact C-N 3.32Å; V353-G355 PolarHBondContact O-N 3.28Å
354N28.1Very low29.2Very low149 Ų149140.9 Ų140.980%0.79776%0.762SS**  trans-42.189.8169.2-81.9-29.5000111.6Q356N354-Q356 PolarHBondContact O-N 3.02Å
355G27Very low28.7Very low64 Ų64141 Ų14166%0.6676%0.76SS**  trans-85.787.116400000107.7V353 V357V353-G355 VanDerWaalsContact C-N 3.32Å; V353-G355 PolarHBondContact O-N 3.28Å; G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.5Å
356Q27.7Very low28.2Very low173 Ų173138 Ų13881%0.80875%0.75SS**  trans-59.899.7164.3-73.6-176.8-39.100107.6N354 Q358N354-Q356 PolarHBondContact O-N 3.02Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.44Å
357V28.5Very low28Very low126 Ų126139.8 Ų139.876%0.76476%0.759SS**  trans-71.297.3169-1720000105.9G355 T359G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.5Å; V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.16Å
358Q27.9Very low27.9Very low163 Ų163138.5 Ų138.576%0.76276%0.762SS**  trans-64.596.2167.8-69.4-178.12.500107.4Q356 S360Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.44Å; Q358-S360 PolarHBondContact O-N 3Å; Q358-S360 VanDerWaalsContact O-N 3.11Å
359T28.5Very low27.7Very low118 Ų118130.4 Ų130.472%0.72475%0.749SS**  trans-74.497.1163.638.90000107.4V357 I361V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.16Å; T359-I361 PolarHBondContact O-N 3.44Å
360S25.9Very low27.8Very low109 Ų109126.4 Ų126.476%0.76275%0.751SS**  trans-62.998.6171.1-46.20000108.6Q358 A362Q358-S360 PolarHBondContact O-N 3Å; Q358-S360 VanDerWaalsContact O-N 3.11Å; S360-A362 PolarHBondContact O-N 3.09Å; S360-A362 VanDerWaalsContact O-N 3.07Å
361I26.3Very low28Very low142 Ų142123.9 Ų123.973%0.72875%0.748SS**  trans-69.8102167.7-59173.8000106T359 V363T359-I361 PolarHBondContact O-N 3.44Å; I361-V363 VanDerWaalsContact C-N 3.27Å; I361-V363 HydrophobicContact CG2-CG2 3.82Å; I361-V363 PolarHBondContact O-N 3.35Å
362A26.4Very low28.2Very low88 Ų88121.3 Ų121.373%0.72775%0.746SS**  trans-70.189.6167.500000108S360 V364S360-A362 PolarHBondContact O-N 3.09Å; S360-A362 VanDerWaalsContact O-N 3.07Å; A362-V364 PolarHBondContact O-N 3.09Å
363V28.4Very low28.1Very low109 Ų109123.4 Ų123.466%0.66175%0.753SS**  trans-70.597.6168.6-177.60000106.6I361 T365I361-V363 VanDerWaalsContact C-N 3.27Å; I361-V363 HydrophobicContact CG2-CG2 3.82Å; I361-V363 PolarHBondContact O-N 3.35Å; V363-T365 VanDerWaalsContact C-N 3.3Å; V363-T365 PolarHBondContact O-N 3.22Å
364V25.7Very low27.6Very low129 Ų129121.3 Ų121.378%0.78275%0.753SS**  trans-74.691.4169.2179.40000107A362 A366A362-V364 PolarHBondContact O-N 3.09Å; V364-A366 PolarHBondContact O-N 3.31Å
365T26.1Very low27.6Very low104 Ų104120.8 Ų120.864%0.63876%0.756SS**  trans-72.392.6171.4-28.40000107.9V363 L367V363-T365 VanDerWaalsContact C-N 3.3Å; V363-T365 PolarHBondContact O-N 3.22Å; T365-L367 VanDerWaalsContact C-N 3.25Å; T365-L367 PolarHBondContact O-N 3.07Å
366A25.1Very low27.6Very low82 Ų82123 Ų12368%0.67876%0.761SS**  trans-70.285.3170.200000109.3V364 T368V364-A366 PolarHBondContact O-N 3.31Å; A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 2.76Å
367L26.6Very low27.6Very low163 Ų163124 Ų12485%0.85377%0.766SS**  trans-67.188.3166.5-76.4159000108.6T365T365-L367 VanDerWaalsContact C-N 3.25Å; T365-L367 PolarHBondContact O-N 3.07Å
368T27.1Very low27.5Very low127 Ų127126.7 Ų126.778%0.77977%0.77SS**  trans-112.699.2168.4-29.60000108.1A366A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 2.76Å
369A26.6Very low27.4Very low84 Ų84125.5 Ų125.569%0.69477%0.769SS**  trans-63.9139176.600000110.5T371A369-T371 PolarHBondContact O-N 2.62Å
370P30.6Very low27.1Very low126 Ų126125.7 Ų125.782%0.81877%0.774SS**  trans-76.7105.9177.428.4-31.1000110.4
371T29.9Very low27.1Very low130 Ų130128 Ų12880%0.79877%0.773SS**  trans-75126.7167.14.20000110A369A369-T371 PolarHBondContact O-N 2.62Å
372P32.5Very low27.4Very low121 Ų121126.6 Ų126.679%0.78677%0.773SS**  trans-71.2129.5-175.525.7-31.9000112.2G374P372-G374 PolarHBondContact O-N 3.16Å
373L28.7Very low27.5Very low172 Ų172130.4 Ų130.490%0.90178%0.78SS**  trans-65.4114174.1-79.999000110.5
374G26.9Very low27.4Very low68 Ų68134.5 Ų134.570%0.70179%0.792SS**  trans-70.1129.2170.900000112.1P372 S376P372-G374 PolarHBondContact O-N 3.16Å; G374-S376 PolarHBondContact O-N 2.78Å; G374-S376 VanDerWaalsContact O-N 3.15Å
375T28Very low27.4Very low138 Ų138137.5 Ų137.585%0.84780%0.798SS**  trans-75.788.6178.843.50000111.4
376S26.8Very low27.4Very low111 Ų111141.5 Ų141.578%0.77681%0.809SS**  trans-9597.1170.8-59.70000109.9G374 Q378G374-S376 PolarHBondContact O-N 2.78Å; G374-S376 VanDerWaalsContact O-N 3.15Å; S376-Q378 PolarHBondContact O-N 3.31Å; S376-Q378 VanDerWaalsContact O-N 3.12Å
377Q26.5Very low27.6Very low194 Ų194142.9 Ų142.991%0.90781%0.811SS**  trans-67.899.4169.3-64.7-167.729.300109.2
378Q26.5Very low27.7Very low182 Ų182142.2 Ų142.285%0.8581%0.808SS**  trans-91.6120.5166.4-82.3-166.7-14.600110.2S376 C380S376-Q378 PolarHBondContact O-N 3.31Å; S376-Q378 VanDerWaalsContact O-N 3.12Å; Q378-C380 PolarHBondContact O-N 2.75Å
379N25.3Very low27.8Very low138 Ų138141.6 Ų141.674%0.73880%0.804SS**  trans-71.4110.3-177.2-173.3-6.9000110.2Q381N379-Q381 PolarHBondContact O-N 2.97Å
380C23.8Very low27.8Very low123 Ų123145 Ų14583%0.83181%0.811SS**  trans-76.3102.2173-68.40000109.8Q378Q378-C380 PolarHBondContact O-N 2.75Å
381Q26.2Very low27.6Very low157 Ų157144.7 Ų144.773%0.73481%0.807SS**PPolyproline II helixtrans-67.1132.3170-77-91.7-12.800110.5N379N379-Q381 PolarHBondContact O-N 2.97Å
382P32.3Very low27.4Very low112 Ų112144.3 Ų144.373%0.72781%0.805SS**PPolyproline II helixtrans-72.3127178.627-31000111.3Q384P382-Q384 PolarHBondContact O-N 2.81Å
383L27.5Very low27.1Very low168 Ų168145.9 Ų145.988%0.8881%0.807SS**PPolyproline II helixtrans-59.9126.6174-113.879.9000110.5Q385L383-Q385 PolarHBondContact O-N 2.66Å
384Q26Very low27Very low195 Ų195143.6 Ų143.691%0.91180%0.802SS**PPolyproline II helixtrans-61.5118.2174.4-70.7-157.293.200111P382 Q386P382-Q384 PolarHBondContact O-N 2.81Å; Q384-Q386 PolarHBondContact O-N 3.05Å
385Q26.8Very low27Very low193 Ų193143.9 Ų143.990%0.90281%0.805SS**  trans-74115.2168.7-72.7-179.568.400109L383L383-Q385 PolarHBondContact O-N 2.66Å
386Q26.3Very low27Very low187 Ų187144 Ų14487%0.87480%0.801SS**  trans-73.5127.7174.9-131.1178.82.300109.4Q384 N388Q384-Q386 PolarHBondContact O-N 3.05Å; Q386-N388 PolarHBondContact O-N 2.82Å
387P29.1Very low27.3Very low112 Ų112146.2 Ų146.273%0.72780%0.804SS**  trans-76.1114.2-175.827.9-31.7000110.7T389P387-T389 PolarHBondContact O-N 2.86Å
388N29Very low27.4Very low149 Ų149144 Ų14480%0.79780%0.798SS**  trans-85.3102170.1-153.46.8000108.9Q386 N390Q386-N388 PolarHBondContact O-N 2.82Å; N388-N390 PolarHBondContact O-N 3.37Å; N388-N390 VanDerWaalsContact O-N 3.15Å
389T28Very low27.7Very low113 Ų113143.1 Ų143.169%0.69380%0.799SS**  trans-73.394.2176.345.50000110.1P387P387-T389 PolarHBondContact O-N 2.86Å
390N27.6Very low27.7Very low156 Ų156143.2 Ų143.283%0.83480%0.8SS**  trans-103.194.6159.2-89-13.4000109.2N388N388-N390 PolarHBondContact O-N 3.37Å; N388-N390 VanDerWaalsContact O-N 3.15Å
391T25.4Very low28.2Very low120 Ų120145.2 Ų145.274%0.73680%0.801SS**  trans-69.1147.8170.7-3.90000110.9
392T27.2Very low28.2Very low122 Ų122144.6 Ų144.675%0.74880%0.803SS**  trans83.195.1157.81.30000118.6
393N24.9Very low27.9Very low154 Ų154144.4 Ų144.482%0.82480%0.804SS**  -166.2123.5111.2-118.4-14000111.9G395N393-G395 PolarHBondContact O-N 3.12Å
394P26Very low27.9Very low123 Ų123139.9 Ų139.980%0.79980%0.798SS**  trans-86.290.3171.332.9-26.8000109.2
395G28.9Very low28Very low75 Ų75138.9 Ų138.977%0.77380%0.799SS**  trans-106.484.4171.300000110.3N393 N397N393-G395 PolarHBondContact O-N 3.12Å; G395-N397 PolarHBondContact O-N 3.21Å
396N26.7Very low28Very low141 Ų141133.6 Ų133.675%0.75479%0.789SS**  trans-62.4114.6170.8178.913.4000109.7
397N33.2Very low28Very low157 Ų157132 Ų13284%0.8479%0.785SS**  trans-156.5102.8147.2-90.4-30.4000109G395 N399G395-N397 PolarHBondContact O-N 3.21Å; N397-N399 PolarHBondContact O-N 3.31Å
398N29.9Very low28Very low146 Ų146133.8 Ų133.878%0.78179%0.787SS**  trans-45.3118.1157.1-106.1-15.8000110
399N31.6Very low27.9Very low164 Ų164132.9 Ų132.988%0.87778%0.781SS**  trans-142.1108143.9-101.9-23.7000109.7N397 L401N397-N399 PolarHBondContact O-N 3.31Å; N399-L401 PolarHBondContact O-N 3.09Å
400N25.6Very low27.7Very low140 Ų140131 Ų13175%0.74978%0.777SS**  trans-73.599.4177.2-175.45.8000108.5
401L33.4Very low27.7Very low165 Ų165127.8 Ų127.886%0.86477%0.767SS**  trans-121.982.4160-81.5169.7000108.6N399 S403N399-L401 PolarHBondContact O-N 3.09Å; L401-S403 PolarHBondContact O-N 2.94Å
402N26.9Very low27.8Very low144 Ų144129.4 Ų129.477%0.7777%0.771SS**  trans-50.5110.7151.7179.916.5000110.3
403S26.8Very low27.8Very low109 Ų109130.1 Ų130.176%0.76277%0.77SS**  trans176.6131.6142.646.50000110.5L401L401-S403 PolarHBondContact O-N 2.94Å
404G26.4Very low27.8Very low72 Ų72133.4 Ų133.474%0.74277%0.771SS**  trans97.862.8169.400000114.7A406G404-A406 PolarHBondContact O-N 3.45Å
405N27.9Very low27.7Very low174 Ų174133.3 Ų133.393%0.9377%0.772SS**  trans-59.794.7154.1-85-7.5000107.6L407N405-L407 PolarHBondContact O-N 2.87Å; N405-L407 VanDerWaalsContact O-N 3.08Å
406A26.9Very low27.8Very low83 Ų83137 Ų13769%0.68677%0.773SS**  trans-55.7113.9166.100000106.8G404 I408G404-A406 PolarHBondContact O-N 3.45Å; A406-I408 VanDerWaalsContact C-N 3.28Å; A406-I408 PolarHBondContact O-N 2.95Å
407L25.9Very low27.7Very low153 Ų153135.3 Ų135.380%0.80177%0.772SS**  trans-60.997.9170.1-17472.2000106.2N405 I409N405-L407 PolarHBondContact O-N 2.87Å; N405-L407 VanDerWaalsContact O-N 3.08Å; L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CG1 4.35Å; L407-I409 PolarHBondContact O-N 2.82Å
408I28.9Very low27.2Very low150 Ų150135.5 Ų135.577%0.76977%0.77SS**  trans-66.394.8168.9-58.3-179.9000104.6A406 A410A406-I408 VanDerWaalsContact C-N 3.28Å; A406-I408 PolarHBondContact O-N 2.95Å; I408-A410 PolarHBondContact O-N 3.28Å
409I26.9Very low27Very low129 Ų129133 Ų13366%0.66276%0.764SS**  trans-65.693.4165.2-59.7177.1000104.4L407 S411L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CG1 4.35Å; L407-I409 PolarHBondContact O-N 2.82Å; I409-S411 PolarHBondContact O-N 2.85Å
410A25.6Very low26.9Very low74 Ų74131 Ų13161%0.61276%0.76SS**  trans-62.792.7165.500000106.3I408 N412I408-A410 PolarHBondContact O-N 3.28Å; A410-N412 PolarHBondContact O-N 3.36Å
411S26.4Very low27.1Very low89 Ų89130.2 Ų130.262%0.62276%0.76SS**  trans-56.8106.1166.9-64.60000106.6I409 N413I409-S411 PolarHBondContact O-N 2.85Å; S411-N413 PolarHBondContact O-N 3.39Å
412N27.4Very low26.9Very low153 Ų153128.2 Ų128.282%0.81876%0.76SS**  trans-64.475.7165.9-78.5-60.2000107.6A410 R414A410-N412 PolarHBondContact O-N 3.36Å; N412-R414 PolarHBondContact O-N 3.23Å
413N28.1Very low27.2Very low138 Ų138128.7 Ų128.774%0.73876%0.761SS**  trans-69.187.3164.2-77.3-9.6000105.9S411 C415S411-N413 PolarHBondContact O-N 3.39Å; N413-C415 VanDerWaalsContact C-N 3.32Å; N413-C415 PolarHBondContact O-N 3.26Å
414R25.1Very low27.5Very low223 Ų223126 Ų12684%0.84275%0.751SS**  trans-58104.1161-82.5-174.4-178.2-132.51105.9N412 L416N412-R414 PolarHBondContact O-N 3.23Å; R414-L416 VanDerWaalsContact C-N 3.25Å; R414-L416 PolarHBondContact O-N 2.96Å
415C23.7Very low28.1Very low121 Ų121128.6 Ų128.682%0.81875%0.752SS**  trans-59.893.9165.6-59.90000107.3N413 S417N413-C415 VanDerWaalsContact C-N 3.32Å; N413-C415 PolarHBondContact O-N 3.26Å; C415-S417 PolarHBondContact O-N 2.65Å
416L29.5Very low28.7Very low152 Ų152127.5 Ų127.580%0.79675%0.746SS**  trans-72.285.3163-68.8174.3000106.1R414 M418R414-L416 VanDerWaalsContact C-N 3.25Å; R414-L416 PolarHBondContact O-N 2.96Å; L416-M418 HydrophobicContact CB-CG 4.49Å; L416-M418 PolarHBondContact O-N 2.8Å
417S24.5Very low29.4Very low105 Ų105128 Ų12873%0.73475%0.745SS**  trans-66.975.8165.4167.30000108C415 S419C415-S417 PolarHBondContact O-N 2.65Å; S417-S419 PolarHBondContact O-N 2.9Å
418M24.5Very low30.2Very low161 Ų161126.3 Ų126.379%0.79374%0.736SS**  trans-86.396.8164.8-64.2-130.172.100106.5L416 P420L416-M418 HydrophobicContact CB-CG 4.49Å; L416-M418 PolarHBondContact O-N 2.8Å; M418-P420 WeakPolarHBondContact O-CD 3.47Å
419S24.6Very low31.6Very low94 Ų94124 Ų12466%0.65773%0.729SS**  trans-54.4122.3166.8-48.80000107.4S417 T421S417-S419 PolarHBondContact O-N 2.9Å; S419-T421 PolarHBondContact O-N 3.11Å
420P30.6Very low32.7Very low121 Ų121125.4 Ų125.479%0.78673%0.733SS**  trans-64.4107.4178.725-31.2000107.6M418 S422M418-P420 WeakPolarHBondContact O-CD 3.47Å; P420-S422 PolarHBondContact O-N 2.88Å
421T29.2Very low34Very low124 Ų124125 Ų12576%0.76173%0.73SS**  trans-57.4120.2159.931.90000106.6S419 I423S419-T421 PolarHBondContact O-N 3.11Å; T421-I423 VanDerWaalsContact C-N 3.35Å; T421-I423 PolarHBondContact O-N 3.25Å
422S29Very low35.3Very low123 Ų123124.8 Ų124.886%0.8672%0.722SS**  trans-48.591.1179.4-41.60000111.1P420 G424P420-S422 PolarHBondContact O-N 2.88Å; S422-G424 PolarHBondContact O-N 3.36Å
423I33.9Very low36.5Very low154 Ų154123.2 Ų123.279%0.7971%0.709SS**  trans-74.6114.8166.5-57.4176.8000104.4T421 T425T421-I423 VanDerWaalsContact C-N 3.35Å; T421-I423 PolarHBondContact O-N 3.25Å; I423-T425 PolarHBondContact O-N 2.74Å
424G33.3Very low37.8Very low54 Ų54123 Ų12356%0.55770%0.704SS**  trans-49.2135.8-178.900000110S422 D426S422-G424 PolarHBondContact O-N 3.36Å; G424-D426 VanDerWaalsContact C-N 3.34Å; G424-D426 PolarHBondContact O-N 2.93Å
425T37.3Very low39.1Very low125 Ų125115 Ų11577%0.76769%0.685SS**  trans-58.5101.1166.948.10000107.4I423 S427I423-T425 PolarHBondContact O-N 2.74Å; T425-S427 PolarHBondContact O-N 2.79Å
426D42.1Very low40.4Very low151 Ų151112.3 Ų112.381%0.80767%0.672SS**  trans-62.980.8164.4-71.6-35.5000106.9G424 L428G424-D426 VanDerWaalsContact C-N 3.34Å; G424-D426 PolarHBondContact O-N 2.93Å; D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.83Å
427S40.8Very low41.5Very low93 Ų93111.2 Ų111.265%0.6566%0.664SS**  trans-66.2100.5167.1-610000104.1T425 T429T425-S427 PolarHBondContact O-N 2.79Å; S427-T429 PolarHBondContact O-N 3.45Å
428L42.4Very low42.8Very low118 Ų118109 Ų10962%0.61865%0.653SS**  trans-43.2109.1167.9-69.7169.4000106.9D426 D432D426-L428 VanDerWaalsContact C-N 3.29Å; D426-L428 PolarHBondContact O-N 2.83Å; L428-D432 HydrophobicContact CB-CB 4.4Å; L428-D432 HydrophobicContact CD2-CB 4.34Å
429T58.3Low44Very low102 Ų102107.7 Ų107.763%0.62665%0.648SS**  trans-55.9148.8-179.2-10.80000108.1S427 A431 D432S427-T429 PolarHBondContact O-N 3.45Å; T429-A431 PolarHBondContact O-N 3.13Å; T429-D432 PolarHBondContact O-N 2.74Å
430E50.6Low45.1Very low158 Ų158109.6 Ų109.674%0.73865%0.65SS**Hα-helixtrans-49.8-25.2179.8-85.1161.1142.500113.6D432 Q433 Q434E430-D432 PolarHBondContact O-N 2.72Å; E430-Q433 PolarHBondContact O-N 3.31Å; E430-Q434 PolarHBondContact O-N 2.81Å; E430-Q434 VanDerWaalsContact O-N 3.11Å
431A53.6Low45.9Very low67 Ų67106.6 Ų106.655%0.55464%0.636SS**Hα-helixtrans-57.5-41.2171.900000114.3T429 Q434 A435T429-A431 PolarHBondContact O-N 3.13Å; A431-Q434 PolarHBondContact O-N 2.91Å; A431-A435 PolarHBondContact O-N 2.72Å
432D53.5Low46.7Very low84 Ų84104 Ų10445%0.44963%0.627SS.*Hα-helixtrans-72.5-35.8-178.4-74.9-27.6000111.6L428 T429 E430 Q434 A435 A436L428-D432 HydrophobicContact CB-CB 4.4Å; L428-D432 HydrophobicContact CD2-CB 4.34Å; T429-D432 PolarHBondContact O-N 2.74Å; E430-D432 PolarHBondContact O-N 2.72Å; D432-Q434 VanDerWaalsContact C-N 3.28Å; D432-Q434 PolarHBondContact O-N 3.23Å; D432-A435 PolarHBondContact O-N 3.12Å; D432-A436 PolarHBondContact O-N 2.92Å
433Q51.4Low47.2Very low119 Ų119101.7 Ų101.756%0.55662%0.615SS**Hα-helixtrans-65-36.1173.4-66.6-1768.200111.2E430 M437E430-Q433 PolarHBondContact O-N 3.31Å; Q433-M437 PolarHBondContact O-N 3.31Å
434Q56.3Low47.6Very low135 Ų135100 Ų10063%0.63161%0.612SS**Hα-helixtrans-72.3-37.3177.7-138.1136.833.200112.2E430 A431 D432 A436 M437 A438E430-Q434 PolarHBondContact O-N 2.81Å; E430-Q434 VanDerWaalsContact O-N 3.11Å; A431-Q434 PolarHBondContact O-N 2.91Å; D432-Q434 VanDerWaalsContact C-N 3.28Å; D432-Q434 PolarHBondContact O-N 3.23Å; Q434-A436 VanDerWaalsContact C-N 3.35Å; Q434-M437 PolarHBondContact O-N 3.35Å; Q434-A438 PolarHBondContact O-N 3.14Å
435A52.4Low47.8Very low54 Ų54105.9 Ų105.945%0.44663%0.625SS.*Hα-helixtrans-63.1-40.3173.400000112A431 D432 A438 L439A431-A435 PolarHBondContact O-N 2.72Å; D432-A435 PolarHBondContact O-N 3.12Å; A435-A438 PolarHBondContact O-N 2.75Å; A435-L439 PolarHBondContact O-N 3.1Å; A435-L439 VanDerWaalsContact O-N 3.09Å
436A50.6Low47.6Very low65 Ų65103.1 Ų103.154%0.53762%0.622SS.*Hα-helixtrans-64.6-39.5176.200000112.5D432 Q434 L440D432-A436 PolarHBondContact O-N 2.92Å; Q434-A436 VanDerWaalsContact C-N 3.35Å; A436-L440 PolarHBondContact O-N 2.68Å
437M52.3Low47.3Very low128 Ų128104.2 Ų104.263%0.63162%0.624SS**Hα-helixtrans-68.5-38.7174.2-90-166.4-7300113Q433 Q434 L439 L440 A441Q433-M437 PolarHBondContact O-N 3.31Å; Q434-M437 PolarHBondContact O-N 3.35Å; M437-L439 VanDerWaalsContact C-N 3.3Å; M437-L439 PolarHBondContact O-N 3.02Å; M437-L440 PolarHBondContact O-N 2.87Å; M437-A441 PolarHBondContact O-N 2.74Å; M437-A441 VanDerWaalsContact O-N 3.09Å
438A51.7Low47.1Very low60 Ų60107.3 Ų107.350%0.49663%0.633SS.*Hα-helixtrans-64.1-36.5177.800000112.1Q434 A435 L440 A441 A442Q434-A438 PolarHBondContact O-N 3.14Å; A435-A438 PolarHBondContact O-N 2.75Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-A441 PolarHBondContact O-N 3.19Å; A438-A442 WeakPolarHBondContact O-CB 3.4Å; A438-A442 PolarHBondContact O-N 3.2Å
439L49.8Very low46.7Very low133 Ų133107.9 Ų107.970%0.69664%0.642SS**Hα-helixtrans-66.8-33.9175.4-115.7151.8000112.5A435 M437 A443A435-L439 PolarHBondContact O-N 3.1Å; A435-L439 VanDerWaalsContact O-N 3.09Å; M437-L439 VanDerWaalsContact C-N 3.3Å; M437-L439 PolarHBondContact O-N 3.02Å; L439-A443 PolarHBondContact O-N 3.14Å
440L47.6Very low45.6Very low133 Ų133113.1 Ų113.170%0.69666%0.656SS**Hα-helixtrans-71.1-36.7175.3-16764.8000112A436 M437 A438 A443A436-L440 PolarHBondContact O-N 2.68Å; M437-L440 PolarHBondContact O-N 2.87Å; A438-L440 VanDerWaalsContact C-N 3.33Å; L440-A443 PolarHBondContact O-N 3.32Å
441A48.4Very low44.7Very low58 Ų58116.7 Ų116.748%0.47966%0.663SS.*Hα-helixtrans-71.3-35.5174.900000112.7M437 A438 A443 T444M437-A441 PolarHBondContact O-N 2.74Å; M437-A441 VanDerWaalsContact O-N 3.09Å; A438-A441 PolarHBondContact O-N 3.19Å; A441-A443 VanDerWaalsContact C-N 3.26Å; A441-A443 PolarHBondContact O-N 3.3Å; A441-T444 PolarHBondContact O-N 2.92Å; A441-T444 PolarHBondContact O-OG1 3.14Å
442A45.6Very low43.7Very low70 Ų70120.6 Ų120.658%0.57967%0.67SS**Hα-helixtrans-68.8-24.3175.800000112.9A438 T444A438-A442 WeakPolarHBondContact O-CB 3.4Å; A438-A442 PolarHBondContact O-N 3.2Å; A442-T444 PolarHBondContact O-N 3.15Å
443A38.8Very low42.6Very low74 Ų74123.3 Ų123.361%0.61268%0.684SS**THydrogen-bonded Turntrans-72.3-10.3176.500000113.8L439 L440 A441L439-A443 PolarHBondContact O-N 3.14Å; L440-A443 PolarHBondContact O-N 3.32Å; A441-A443 VanDerWaalsContact C-N 3.26Å; A441-A443 PolarHBondContact O-N 3.3Å
444T42.8Very low41.6Very low118 Ų118125.3 Ų125.372%0.72469%0.694SS**THydrogen-bonded Turntrans-101.2-5-179.640.70000115.6A441 A442A441-T444 PolarHBondContact O-N 2.92Å; A441-T444 PolarHBondContact O-OG1 3.14Å; A442-T444 PolarHBondContact O-N 3.15Å
445E37.2Very low40.4Very low178 Ų178124.7 Ų124.783%0.83270%0.7SS**SBendtrans-107.213.2-175.7-66.4-169.1167.500114.9
446G33.2Very low39.5Very low68 Ų68128.1 Ų128.170%0.70172%0.715SS**SBendtrans-99.42.5-169.200000118.7
447M35.3Very low38.6Very low173 Ų173130.8 Ų130.885%0.85273%0.727SS**SBendtrans-118.36.3-167.1-86-172.8-79.800117.6
448D37.9Very low37.5Very low158 Ų158130.5 Ų130.585%0.84574%0.738SS**  trans-12267.9179.6-71.6-46.6000112.7
449T34.6Very low36.4Very low130 Ų130132.5 Ų132.580%0.79875%0.748SS**  trans-158.945.2163.3-0.10000113.9
450F34.2Very low35.4Very low213 Ų213134.6 Ų134.693%0.93476%0.759SS**  trans-114.457.3157.7-81.2-85000110.2E452F450-E452 PolarHBondContact O-N 3.02Å; F450-E452 VanDerWaalsContact O-N 3.07Å
451R31.7Very low34.5Very low232 Ų232137 Ų13788%0.87577%0.767SS**  trans-8083.1160.7-169.4171.8156.3143.5-3.5107.1N453R451-N453 PolarHBondContact O-N 2.81Å
452E31.9Very low33.5Very low149 Ų149139.2 Ų139.270%0.69678%0.778SS**  trans-56.2107.2174-153.6-178.9-156.400108.3F450 Q454F450-E452 PolarHBondContact O-N 3.02Å; F450-E452 VanDerWaalsContact O-N 3.07Å; E452-Q454 PolarHBondContact O-N 3.13Å
453N30Very low32.7Very low141 Ų141141.7 Ų141.775%0.75479%0.789SS**  trans-62.184.9165.6-89.3-48.2000107.6R451 T455R451-N453 PolarHBondContact O-N 2.81Å; N453-T455 PolarHBondContact O-N 2.82Å
454Q32.2Very low32.3Very low161 Ų161145 Ų14575%0.75280%0.795SS**  trans-71.184.7162.4-73.4-172.134.300107.8E452 T456E452-Q454 PolarHBondContact O-N 3.13Å; Q454-T456 PolarHBondContact O-N 3.23Å
455T30.6Very low31.4Very low123 Ų123144.8 Ų144.876%0.75580%0.795SS**  trans-58.896.1160.5380000108.6N453N453-T455 PolarHBondContact O-N 2.82Å
456T32.6Very low31.2Very low125 Ų125143.7 Ų143.777%0.76779%0.793SS**  trans-59.5126.1158.814.80000108.6Q454 S458Q454-T456 PolarHBondContact O-N 3.23Å; T456-S458 PolarHBondContact O-N 3.03Å
457P31.4Very low31Very low121 Ų121146.2 Ų146.279%0.78680%0.795SS**  trans-70.3113.8-177.725.9-31.3000109.9S459P457-S459 PolarHBondContact O-N 2.97Å
458S29.2Very low30.5Very low123 Ų123144 Ų14486%0.8679%0.786SS**  trans-58.599.4172.4-53.30000110.1T456 L460T456-S458 PolarHBondContact O-N 3.03Å; S458-L460 PolarHBondContact O-N 3.14Å; S458-L460 VanDerWaalsContact O-N 3.12Å
459S29.5Very low29.9Very low101 Ų101142.1 Ų142.171%0.70678%0.776SS**  trans-66107.616457.20000108.4P457 Q461P457-S459 PolarHBondContact O-N 2.97Å; S459-Q461 PolarHBondContact O-N 2.78Å
460L29.6Very low29.6Very low177 Ų177143.3 Ų143.393%0.92778%0.778SS**  trans14.586.2138-66162.4000114.7S458S458-L460 PolarHBondContact O-N 3.14Å; S458-L460 VanDerWaalsContact O-N 3.12Å
461Q27.8Very low29.3Very low185 Ų185141.6 Ų141.686%0.86478%0.776SS**  trans-139.2112.2154.3-152.1145.45.500109.8S459S459-Q461 PolarHBondContact O-N 2.78Å
462S28Very low29.1Very low103 Ų103134.7 Ų134.772%0.7276%0.764SS**  trans-51.6150-176.3-38.50000112.5I464S462-I464 PolarHBondContact O-N 3.42Å
463P28.6Very low29Very low123 Ų123138.4 Ų138.480%0.79977%0.772SS**  trans-71.1122-170.227.9-32.4000111.1P465P463-P465 WeakPolarHBondContact O-CD 3.44Å
464I29.3Very low29Very low144 Ų144140.4 Ų140.474%0.73878%0.781SS**  trans-99.7104.1160-49.7-179.9000106.5S462 I466S462-I464 PolarHBondContact O-N 3.42Å; I464-I466 HydrophobicContact CG2-CD1 4.06Å; I464-I466 HydrophobicContact CG2-CG1 3.7Å; I464-I466 PolarHBondContact O-N 3.37Å; I464-I466 VanDerWaalsContact O-N 3.13Å
465P25.5Very low28.9Very low113 Ų113140 Ų14073%0.73478%0.784SS**  trans-76.796.8171.629.6-28.9000108P463P463-P465 WeakPolarHBondContact O-CD 3.44Å
466I32.2Very low28.7Very low154 Ų154139.6 Ų139.679%0.7979%0.787SS**  trans-100.8116.9164.5-56.1-173.9000108.7I464I464-I466 HydrophobicContact CG2-CD1 4.06Å; I464-I466 HydrophobicContact CG2-CG1 3.7Å; I464-I466 PolarHBondContact O-N 3.37Å; I464-I466 VanDerWaalsContact O-N 3.13Å
467V28.5Very low28.5Very low122 Ų122139.9 Ų139.974%0.73979%0.792SS**  trans-69.1125-176.7175.10000110.2
468N24.6Very low28.3Very low125 Ų125141.3 Ų141.367%0.66879%0.792SS**  trans61.3121.7134.7-144.819.9000121
469N25.2Very low28.3Very low120 Ų120143.1 Ų143.164%0.64279%0.792SS**  trans48.9108.7143.7-71.2-18000119.2
470N28.6Very low28.2Very low155 Ų155143.7 Ų143.783%0.82979%0.792SS**  -158.699.6127.4-85.4-42.2000109.6S472N470-S472 PolarHBondContact O-N 3.31Å
471I29.4Very low28.2Very low176 Ų176140.9 Ų140.990%0.90378%0.782SS**  trans-61.7100.4163.5-62.2167.7000106.4
472S26.7Very low28.3Very low88 Ų88137 Ų13762%0.61577%0.771SS**  trans-153.8132.7166.763.70000109.8N470N470-S472 PolarHBondContact O-N 3.31Å
473R29.2Very low28.2Very low227 Ų227139.7 Ų139.786%0.85778%0.777SS**  trans8663.6163.3-53.2-178.1169.7-163.3-5.2117.1D475R473-D475 VanDerWaalsContact C-N 3.32Å
474L30.5Very low28.3Very low182 Ų182139.5 Ų139.595%0.95377%0.774SS**  trans-9662.8143.8-86.2153.6000108.4
475D29.5Very low28.2Very low153 Ų153137.7 Ų137.782%0.81877%0.77SS**  trans-131.178172.6-77-45000108.2R473R473-D475 VanDerWaalsContact C-N 3.32Å
476S27.7Very low28.3Very low115 Ų115139.2 Ų139.280%0.80477%0.772SS**  trans-15549.6167.3-167.70000112
477C27.5Very low28Very low130 Ų130137.4 Ų137.488%0.87877%0.768SS**  trans-129.553.2164.6-670000109.3
478L28.3Very low28.1Very low151 Ų151137.3 Ų137.379%0.79177%0.768SS**  trans-122.470.4172-123.387.4000109T480L478-T480 VanDerWaalsContact C-N 3.28Å; L478-T480 PolarHBondContact O-N 3.07Å
479N27.6Very low28.3Very low161 Ų161138.6 Ų138.686%0.86178%0.775SS**  trans-90.876.4161.2-108.3-7000108.2T481N479-T481 VanDerWaalsContact C-N 3.28Å; N479-T481 PolarHBondContact O-N 3.28Å
480T27.4Very low28.5Very low113 Ų113140 Ų14069%0.69378%0.783SS**  trans-72.581.6170.7-46.90000108.5L478 T482L478-T480 VanDerWaalsContact C-N 3.28Å; L478-T480 PolarHBondContact O-N 3.07Å; T480-T482 PolarHBondContact O-N 3.19Å; T480-T482 VanDerWaalsContact O-N 3.15Å
481T30.2Very low28.5Very low119 Ų119140.2 Ų140.273%0.7378%0.784SS**  trans-84.489.6170.4-55.20000108.9N479N479-T481 VanDerWaalsContact C-N 3.28Å; N479-T481 PolarHBondContact O-N 3.28Å
482T30.5Very low28.6Very low104 Ų104138.4 Ų138.464%0.63878%0.776SS**  trans32.794.4141.545.40000118.2T480 T484T480-T482 PolarHBondContact O-N 3.19Å; T480-T482 VanDerWaalsContact O-N 3.15Å; T482-T484 PolarHBondContact O-N 3.21Å; T482-T484 VanDerWaalsContact O-N 3.16Å
483N25Very low28.8Very low158 Ų158141.7 Ų141.785%0.84579%0.787SS**  -7.7101.9129.8-113.4-6000113.8
484T31.3Very low29.1Very low119 Ų119137.7 Ų137.773%0.7378%0.782SS**  trans-11697.9156.9-54.10000107.8T482 N486T482-T484 PolarHBondContact O-N 3.21Å; T482-T484 VanDerWaalsContact O-N 3.16Å; T484-N486 PolarHBondContact O-N 3.08Å; T484-N486 VanDerWaalsContact O-N 3.09Å
485T26Very low29.1Very low106 Ų106136.2 Ų136.265%0.6578%0.775SS**  trans-66.492.7174.5-39.70000109.3
486N29Very low29.4Very low146 Ų146133.7 Ų133.778%0.78178%0.775SS**  trans-100.390.2160.7-87.1-14000108.8T484 T488T484-N486 PolarHBondContact O-N 3.08Å; T484-N486 VanDerWaalsContact O-N 3.09Å; N486-T488 PolarHBondContact O-N 2.91Å; N486-T488 VanDerWaalsContact O-N 3.08Å
487T25.9Very low29.5Very low116 Ų116136.6 Ų136.671%0.71278%0.776SS**  trans-57.4102.4161.8-45.50000108.2
488T30.7Very low30Very low119 Ų119136 Ų13673%0.7377%0.768SS**  trans-138.8104.7156.5-60.10000107.6N486 N490N486-T488 PolarHBondContact O-N 2.91Å; N486-T488 VanDerWaalsContact O-N 3.08Å; T488-N490 PolarHBondContact O-N 3.11Å
489N27.3Very low30.6Very low152 Ų152134.3 Ų134.381%0.81377%0.766SS**  trans-43.6108.6161.4-82.4-25.5000109.3
490N31.2Very low31.3Very low150 Ų150131.8 Ų131.880%0.80276%0.757SS**  trans-145104.9142.3-107.5-23.4000109.1T488 N492T488-N490 PolarHBondContact O-N 3.11Å; N490-N492 PolarHBondContact O-N 3.29Å
491N28.7Very low32.2Very low159 Ų159134 Ų13485%0.8576%0.764SS**  trans-68.479.4174.7-156.712.8000107.4
492N30.8Very low33.2Very low138 Ų138136.1 Ų136.174%0.73877%0.766SS**  trans-125.999165.1-95-15000108.8N490 N494N490-N492 PolarHBondContact O-N 3.29Å; N492-N494 VanDerWaalsContact C-N 3.31Å; N492-N494 PolarHBondContact O-N 3.46Å
493N30.9Very low34.2Very low158 Ų158138.7 Ų138.785%0.84578%0.776SS**  trans-62.282.8174.3-156.316.2000109.2
494N34.8Very low35.3Very low142 Ų142138.2 Ų138.276%0.75977%0.773SS**  trans-128.6105.6168.2-79.3-30.7000108.2N492 A496N492-N494 VanDerWaalsContact C-N 3.31Å; N492-N494 PolarHBondContact O-N 3.46Å; N494-A496 PolarHBondContact O-N 3.25Å
495N31Very low36.2Very low152 Ų152137 Ų13781%0.81377%0.767SS**  trans19.895.5156.6-87.7-2000115.3Q497N495-Q497 VanDerWaalsContact C-N 3.25Å; N495-Q497 PolarHBondContact O-N 2.97Å
496A34.8Very low37.2Very low99 Ų99136 Ų13682%0.81876%0.763SS**  trans-61.295.5154.200000107.5N494 V498N494-A496 PolarHBondContact O-N 3.25Å; A496-V498 PolarHBondContact O-N 3.28Å
497Q30.8Very low38.2Very low177 Ų177135.8 Ų135.883%0.82777%0.769SS**  trans-58.6109.8165.8-82.2-171.5-87.300107.2N495N495-Q497 VanDerWaalsContact C-N 3.25Å; N495-Q497 PolarHBondContact O-N 2.97Å
498V37.3Very low39Very low117 Ų117133.8 Ų133.871%0.70977%0.772SS**  trans-57129.5160.6-1780000106A496 V500A496-V498 PolarHBondContact O-N 3.28Å; V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 3.16Å
499P41.4Very low39.4Very low115 Ų115137.2 Ų137.275%0.74777%0.772SS**  trans-62102.1173.8-10.224.2000106.4D501P499-D501 PolarHBondContact O-N 3.19Å
500V42.2Very low40.5Very low109 Ų109137.1 Ų137.166%0.66177%0.772SS**  trans-68115.9163.8-86.10000104.5V498 E502V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 3.16Å; V500-E502 VanDerWaalsContact C-N 3.32Å; V500-E502 PolarHBondContact O-N 3.07Å
501D45.8Very low41.5Very low158 Ų158138.5 Ų138.585%0.84577%0.774SS**  trans-48.8104.8167-82.6-53.7000106.6P499 D503P499-D501 PolarHBondContact O-N 3.19Å; D501-D503 PolarHBondContact O-N 3.05Å
502E52Low42.4Very low164 Ų164135.6 Ų135.677%0.76677%0.772SS**  trans-57.5106175.4-132.496.6-16800105.4V500 N504V500-E502 VanDerWaalsContact C-N 3.32Å; V500-E502 PolarHBondContact O-N 3.07Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 2.83Å
503D51.7Low43.1Very low159 Ų159137.2 Ų137.285%0.8578%0.779SS**  trans-5193.8175.6-110.2-33.3000107.6D501 P505D501-D503 PolarHBondContact O-N 3.05Å; D503-P505 WeakPolarHBondContact O-CD 3.17Å; D503-P505 VanDerWaalsContact O-N 3.09Å
504N48.4Very low43.4Very low148 Ų148132.5 Ų132.579%0.79177%0.767SS**  trans-61114.5170.3-81.4-43.2000105.4E502E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 2.83Å
505P49Very low43.6Very low92 Ų92134 Ų13460%0.59777%0.774SS**  trans-57.4143.9176.424.2-32000108.3D503D503-P505 WeakPolarHBondContact O-CD 3.17Å; D503-P505 VanDerWaalsContact O-N 3.09Å
506P47.3Very low44.1Very low86 Ų86133.1 Ų133.156%0.55877%0.768SS**  trans-53.1144.3-174.217.7-29.8000110.8G508 Y509P506-G508 PolarHBondContact O-N 2.96Å; P506-Y509 HydrophobicContact CG-CD2 4.41Å
507P51.2Low44.1Very low142 Ų142136.4 Ų136.492%0.92277%0.766SS**THydrogen-bonded Turntrans-51.1109.4178-24.332.3000110.2
508G42.5Very low44.4Very low74 Ų74133.8 Ų133.876%0.76376%0.758SS**THydrogen-bonded Turntrans150-12-176.300000116.1P506P506-G508 PolarHBondContact O-N 2.96Å
509Y38.4Very low44.3Very low190 Ų190134.7 Ų134.775%0.74576%0.759SS**  trans-103.518.6-177.4-83.1-80.2000115.8P506 E511P506-Y509 HydrophobicContact CG-CD2 4.41Å; Y509-E511 PolarHBondContact O-N 3.01Å
510D51.2Low44.1Very low150 Ų150137.6 Ų137.680%0.80276%0.76SS**SBendtrans-85.1-3.9-168.1-155.419.7000116.5
511E50.8Low43.6Very low180 Ų180141.1 Ų141.184%0.84177%0.772SS**SBendtrans-132.912.8-169.8-63.7-158.5-167.900118.1Y509Y509-E511 PolarHBondContact O-N 3.01Å
512A47.2Very low43.2Very low98 Ų98140.2 Ų140.281%0.8177%0.767SS**SBendtrans-85.5-9.517500000114.7G514A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.03Å
513I46.1Very low42.3Very low172 Ų172139.3 Ų139.388%0.88277%0.767SS**SBendtrans-95.859.2176.3-47-161.6000109.6
514G36.7Very low41.7Very low58 Ų58138.7 Ų138.760%0.59877%0.769SS**  trans-134.910.2-176.200000115A512A512-G514 VanDerWaalsContact C-N 3.28Å; A512-G514 PolarHBondContact O-N 3.03Å
515L40.7Very low40.9Very low173 Ų173138 Ų13891%0.90677%0.765SS**  trans-142.746.7179.8-68.2174.5000112.6
516I40.4Very low40Very low134 Ų134141.5 Ų141.569%0.68778%0.776SS**  trans-98.693.4153.9-51.3179.6000106.3N518I516-N518 PolarHBondContact O-N 2.89Å
517Q35.5Very low39.3Very low168 Ų168142 Ų14279%0.78579%0.787SS**  trans-63.978.3170.6-167.4175.856.700108.2N519Q517-N519 VanDerWaalsContact C-N 3.31Å; Q517-N519 PolarHBondContact O-N 3.24Å
518N36.3Very low38.4Very low123 Ų123144.3 Ų144.366%0.65879%0.787SS**  trans-71.190.7173.9-88.9-36.7000108.5I516 F520I516-N518 PolarHBondContact O-N 2.89Å; N518-F520 PolarHBondContact O-N 3.22Å
519N35.2Very low38.1Very low136 Ų136148.7 Ų148.773%0.72779%0.79SS**  trans-67.737.3166.5-85.7-30.1000112.8Q517 M521Q517-N519 VanDerWaalsContact C-N 3.31Å; Q517-N519 PolarHBondContact O-N 3.24Å; N519-M521 PolarHBondContact O-N 3.27Å
520F36.8Very low38Very low176 Ų176147.4 Ų147.477%0.77279%0.793SS**  trans-10069.8168.8-75.9-78.6000109.7N518 N522N518-F520 PolarHBondContact O-N 3.22Å; F520-N522 PolarHBondContact O-N 2.94Å
521M33.3Very low37.2Very low183 Ų183147.1 Ų147.190%0.90179%0.791SS**  trans-69.678.2161.5-154.3171.2-172.600107.6N519N519-M521 PolarHBondContact O-N 3.27Å
522N36.1Very low36.5Very low138 Ų138144.4 Ų144.474%0.73879%0.787SS**  trans-149.890.6166.7-93.5-45.4000111F520F520-N522 PolarHBondContact O-N 2.94Å
523N33.8Very low36Very low145 Ų145147.4 Ų147.478%0.77579%0.786SS**  trans6767.4132.3-143.42.7000117.7
524V40Very low35.8Very low146 Ų146145.4 Ų145.489%0.88578%0.782SS**  trans-121.181142.7-150.50000107.5
525N30.9Very low35.7Very low133 Ų133151.5 Ų151.571%0.71179%0.792SS**  trans-55.6140.4157.8-164.9-4.3000107.7
526M29.8Very low35.7Very low167 Ų167148.4 Ų148.482%0.82378%0.782SS**  trans94.573.4168.8-150.1155-70.700118.3
527A32.4Very low35.7Very low95 Ų95146.8 Ų146.879%0.78579%0.789SS**  trans-16058.5133.500000110.2M529A527-M529 PolarHBondContact O-N 2.92Å
528M33Very low35.9Very low191 Ų191144.7 Ų144.794%0.94179%0.787SS**  trans-68.379.1154.8-70.6-166.2-56.800107.9
529M35.9Very low36.2Very low167 Ų167144.1 Ų144.182%0.82379%0.79SS**  trans-121.980.7167.7-164164.814300108.7A527 N531A527-M529 PolarHBondContact O-N 2.92Å; M529-N531 PolarHBondContact O-N 2.96Å
530M36.8Very low36.6Very low163 Ų163144.6 Ų144.680%0.80379%0.791SS**  trans32.885135.3-63.9178.8174.700115.5
531N34.5Very low36.8Very low144 Ų144141.4 Ų141.477%0.7779%0.788SS**  trans-126.662.1143.7-93.8-50.9000108.8M529 M533M529-N531 PolarHBondContact O-N 2.96Å; N531-M533 PolarHBondContact O-N 3.38Å
532T35.6Very low37.3Very low123 Ų123139.6 Ų139.676%0.75578%0.782SS**  trans-72.36516147.20000109.2V534T532-V534 VanDerWaalsContact C-N 3.29Å; T532-V534 PolarHBondContact O-N 2.86Å
533M36.7Very low37.9Very low160 Ų160138.9 Ų138.979%0.78878%0.783SS**  trans-85.589.5152.7-80.6-167.5-74.700106N531 K535N531-M533 PolarHBondContact O-N 3.38Å; M533-K535 PolarHBondContact O-N 2.89Å
534V40.9Very low38.4Very low130 Ų130137.4 Ų137.479%0.78878%0.78SS**  trans-57.790.6170.5179.90000106.8T532T532-V534 VanDerWaalsContact C-N 3.29Å; T532-V534 PolarHBondContact O-N 2.86Å
535K34.6Very low38.4Very low187 Ų187136 Ų13681%0.81377%0.774SS**  trans-66.7126.2172.9-160.6173.1-178.4177.50106.2M533 A537M533-K535 PolarHBondContact O-N 2.89Å; K535-A537 PolarHBondContact O-N 3.24Å
536P41.7Very low39Very low107 Ų107135.5 Ų135.570%0.69578%0.776SS**  trans-54.3127-179.1-23.832000109.8V538P536-V538 PolarHBondContact O-N 3.26Å
537A39.5Very low39.9Very low100 Ų100132.8 Ų132.883%0.82677%0.771SS**  trans-57.4104.4171.800000107.9K535K535-A537 PolarHBondContact O-N 3.24Å
538V39.5Very low40.6Very low124 Ų124133.6 Ų133.675%0.75277%0.769SS**PPolyproline II helixtrans-62.8129.9170.8-174.20000106.2P536 I540P536-V538 PolarHBondContact O-N 3.26Å; V538-I540 PolarHBondContact O-N 2.84Å; V538-I540 VanDerWaalsContact O-N 3.13Å
539P44.2Very low41.2Very low111 Ų111130.4 Ų130.472%0.72176%0.762SS**PPolyproline II helixtrans-54.4122.8178.7-23.932.5000109.6P541P539-P541 VanDerWaalsContact O-CD 3.3Å; P539-P541 WeakPolarHBondContact O-CD 3.25Å; P539-P541 VanDerWaalsContact O-N 3.11Å
540I42.9Very low42Very low146 Ų146127.3 Ų127.375%0.74976%0.763SS**PPolyproline II helixtrans-56118.1172.3-57.7170.8000105.7V538 N542V538-I540 PolarHBondContact O-N 2.84Å; V538-I540 VanDerWaalsContact O-N 3.13Å; I540-N542 PolarHBondContact O-N 2.88Å; I540-N542 VanDerWaalsContact O-N 3.08Å
541P41.2Very low42.5Very low109 Ų109127 Ų12771%0.70876%0.764SS**PPolyproline II helixtrans-54.4123.3175.8-21.431.1000107.2P539 T543P539-P541 VanDerWaalsContact O-CD 3.3Å; P539-P541 WeakPolarHBondContact O-CD 3.25Å; P539-P541 VanDerWaalsContact O-N 3.11Å; P541-T543 PolarHBondContact O-N 2.73Å
542N44.3Very low43.5Very low145 Ų145125 Ų12578%0.77576%0.759SS**  trans-48.3108.4174.7-51.9-0.9000106.2I540 T544I540-N542 PolarHBondContact O-N 2.88Å; I540-N542 VanDerWaalsContact O-N 3.08Å; N542-T544 PolarHBondContact O-N 2.92Å
543T47.8Very low44.5Very low124 Ų124125.2 Ų125.276%0.76176%0.762SS**  trans-66.484.1169.948.10000104.8P541 C545P541-T543 PolarHBondContact O-N 2.73Å; T543-C545 VanDerWaalsContact C-N 3.28Å; T543-C545 PolarHBondContact O-N 3.48Å
544T43.4Very low45.1Very low114 Ų114126.2 Ų126.270%0.69976%0.757SS**  trans-54.5107.4161.1-55.50000102.6N542 T546N542-T544 PolarHBondContact O-N 2.92Å; T544-T546 PolarHBondContact O-N 2.98Å
545C41.4Very low45.4Very low115 Ų115130.7 Ų130.778%0.77776%0.76SS**  trans-5889.4175.7-61.80000106.4T543 P547T543-C545 VanDerWaalsContact C-N 3.28Å; T543-C545 PolarHBondContact O-N 3.48Å; C545-P547 WeakPolarHBondContact O-CD 3.31Å
546T42.7Very low45.9Very low123 Ų123128 Ų12876%0.75575%0.753SS**  trans-65.3113.7167.824.60000104.6T544T544-T546 PolarHBondContact O-N 2.98Å
547P49Very low46.5Very low110 Ų110128.5 Ų128.571%0.71475%0.749SS**PPolyproline II helixtrans-58143.317823-30.9000108.4C545C545-P547 WeakPolarHBondContact O-CD 3.31Å
548P47.5Very low47.1Very low112 Ų112131 Ų13173%0.72775%0.748SS**PPolyproline II helixtrans-53.8151.1-179.220.7-31.5000110.7A550P548-A550 PolarHBondContact O-N 2.82Å; P548-A550 VanDerWaalsContact O-N 3.12Å
549P44.5Very low47.4Very low125 Ų125128.4 Ų128.481%0.81275%0.747SS**PPolyproline II helixtrans-47122.3-177.8-25.732.3000110.5L551P549-L551 PolarHBondContact O-N 3.02Å
550A52.4Low47.6Very low101 Ų101126 Ų12684%0.83573%0.73SS**  trans-56.4113.4177.200000108P548P548-A550 PolarHBondContact O-N 2.82Å; P548-A550 VanDerWaalsContact O-N 3.12Å
551L47.7Very low47.4Very low156 Ų156120.7 Ų120.782%0.81771%0.711SS**PPolyproline II helixtrans-54142.1172.7-73.7169.3000108.6P549P549-L551 PolarHBondContact O-N 3.02Å
552P55.6Low47.7Very low104 Ų104121 Ų12168%0.67571%0.706SS**PPolyproline II helixtrans-54.4143.1179.620.8-31.2000109.9R554P552-R554 PolarHBondContact O-N 3.27Å
553P56.3Low48Very low126 Ų126121.5 Ų121.582%0.81870%0.703SS**PPolyproline II helixtrans-50.9118.8177.9-24.231.7000109.6R555P553-R555 PolarHBondContact O-N 3.41Å
554R50.2Low47.7Very low182 Ų182121.7 Ų121.769%0.68770%0.7SS**PPolyproline II helixtrans-54.6117.4172.7-79.6-177.1170.3-153.9-2.7106.8P552 I556P552-R554 PolarHBondContact O-N 3.27Å; R554-I556 PolarHBondContact O-N 2.87Å
555R46.8Very low47.9Very low224 Ų224121.5 Ų121.585%0.84569%0.693SS**  trans-56.3107-178.4-138.2175.4-177.4-119.52.7106.9P553 I557P553-R555 PolarHBondContact O-N 3.41Å; R555-I557 VanDerWaalsContact C-N 3.31Å; R555-I557 PolarHBondContact O-N 2.92Å
556I45.2Very low47.9Very low130 Ų130124.7 Ų124.767%0.66770%0.697SS**  trans-69.695.9177.3-48.3174.3000105.4R554R554-I556 PolarHBondContact O-N 2.87Å
557I54.6Low47.9Very low118 Ų118123.3 Ų123.361%0.60569%0.685SS**SBendtrans-83.1117.3171.5-60.5174.3000105.5R555 G559R555-I557 VanDerWaalsContact C-N 3.31Å; R555-I557 PolarHBondContact O-N 2.92Å; I557-G559 PolarHBondContact O-N 3.03Å
558N51.8Low47.5Very low152 Ų152123.6 Ų123.681%0.81369%0.687SS**THydrogen-bonded Turntrans58.433.5174.9-63.3-12.6000116.6V560N558-V560 PolarHBondContact O-N 2.79Å; N558-V560 VanDerWaalsContact O-N 3.11Å
559G46.5Very low47.2Very low70 Ų70124.3 Ų124.372%0.72268%0.68SS**THydrogen-bonded Turntrans71.16.8167.600000115.7I557I557-G559 PolarHBondContact O-N 3.03Å
560V47.3Very low47Very low61 Ų61123 Ų12337%0.3767%0.674SS.*  trans-111.9116.9177.3-167.50000107.3N558 D564 I565N558-V560 PolarHBondContact O-N 2.79Å; N558-V560 VanDerWaalsContact O-N 3.11Å; V560-D564 HydrophobicContact CG1-CB 3.47Å; V560-D564 VanDerWaalsContact CG1-CB 3.47Å; V560-I565 HydrophobicContact CG1-CG1 4.4Å
561G38.7Very low46.6Very low33 Ų33126.9 Ų126.934%0.3468%0.677SS.*  trans-56.1146.8169.200000109E563 D564G561-E563 PolarHBondContact O-N 3.12Å; G561-D564 PolarHBondContact O-N 2.87Å
562L48.5Very low46.5Very low117 Ų117124.9 Ų124.961%0.61367%0.672SS**THydrogen-bonded Turntrans-59-3.8179.9-81.7162.4000114I565L562-I565 HydrophobicContact CD2-CD1 4.48Å
563E50.5Low46.3Very low154 Ų154123.8 Ų123.872%0.7267%0.666SS**THydrogen-bonded Turntrans-78.3-17.2170.537.1-92.5-168.600114.6G561G561-E563 PolarHBondContact O-N 3.12Å
564D42.1Very low45.9Very low129 Ų129123.7 Ų123.769%0.6967%0.667SS**  trans-118.114.2-172.3-93.9-19.5000115.2V560 G561 E566V560-D564 HydrophobicContact CG1-CB 3.47Å; V560-D564 VanDerWaalsContact CG1-CB 3.47Å; G561-D564 PolarHBondContact O-N 2.87Å; D564-E566 PolarHBondContact O-N 3.01Å; D564-E566 VanDerWaalsContact O-N 3.08Å
565I46.2Very low46.1Very low109 Ų109119.4 Ų119.456%0.55966%0.657SS**  trans-85.965.3166.2-48.9177.7000108.3V560 L562 D567V560-I565 HydrophobicContact CG1-CG1 4.4Å; L562-I565 HydrophobicContact CD2-CD1 4.48Å; I565-D567 HydrophobicContact CG2-CB 3.65Å; I565-D567 PolarHBondContact O-N 2.95Å; I565-D567 VanDerWaalsContact O-N 3.15Å
566E42.8Very low46.4Very low183 Ų183111.2 Ų111.286%0.85563%0.634SS**  trans-77.261147-69.8-157.1145.600107.5D564 P568D564-E566 PolarHBondContact O-N 3.01Å; D564-E566 VanDerWaalsContact O-N 3.08Å; E566-P568 WeakPolarHBondContact O-CD 3.27Å
567D41.5Very low47Very low94 Ų94110.9 Ų110.950%0.50363%0.633SS.*  trans-86.3110.9164.7-157.43.4000105.5I565 Q569I565-D567 HydrophobicContact CG2-CB 3.65Å; I565-D567 PolarHBondContact O-N 2.95Å; I565-D567 VanDerWaalsContact O-N 3.15Å; D567-Q569 HydrophobicContact CB-CG 4.11Å; D567-Q569 PolarHBondContact O-N 3.08Å; D567-Q569 VanDerWaalsContact OD2-CG 3.31Å; D567-Q569 WeakPolarHBondContact OD2-CG 3.2Å; D567-Q569 PolarHBondContact OD2-NE2 3.18Å
568P40.3Very low47Very low116 Ų116105.4 Ų105.475%0.75361%0.605SS**  trans-72.163.4170.233.3-34.1000107.7E566 S570E566-P568 WeakPolarHBondContact O-CD 3.27Å; P568-S570 PolarHBondContact O-N 3.44Å
569Q42Very low47.4Very low127 Ų127103.9 Ų103.959%0.59359%0.593SS**  trans-73.176.2159.9-61.5-145.7-3.700106.6D567 M571D567-Q569 HydrophobicContact CB-CG 4.11Å; D567-Q569 PolarHBondContact O-N 3.08Å; D567-Q569 VanDerWaalsContact OD2-CG 3.31Å; D567-Q569 WeakPolarHBondContact OD2-CG 3.2Å; D567-Q569 PolarHBondContact OD2-NE2 3.18Å; Q569-M571 PolarHBondContact O-N 3.09Å; Q569-M571 VanDerWaalsContact O-N 3.11Å
570S40.8Very low47.9Very low96 Ų96109.6 Ų109.667%0.67159%0.593SS**THydrogen-bonded Turn27.285.3125.160.70000111.7P568 T572P568-S570 PolarHBondContact O-N 3.44Å; S570-T572 VanDerWaalsContact C-N 3.26Å; S570-T572 PolarHBondContact O-N 3.16Å
571M44Very low48.7Very low184 Ų184115 Ų11591%0.90661%0.608SS**THydrogen-bonded Turntrans36.661.2154-54.3-149.6-172.700111.8Q569 S573Q569-M571 PolarHBondContact O-N 3.09Å; Q569-M571 VanDerWaalsContact O-N 3.11Å; M571-S573 WeakPolarHBondContact O-CA 3.46Å; M571-S573 PolarHBondContact O-N 3Å
572T46Very low49.6Very low114 Ų114116.5 Ų116.570%0.69962%0.623SS**  trans-54.898.6156.7-55.10000102.3S570 C574S570-T572 VanDerWaalsContact C-N 3.26Å; S570-T572 PolarHBondContact O-N 3.16Å; T572-C574 PolarHBondContact O-N 3.34Å
573S49.9Very low50.1Low81 Ų81115.7 Ų115.757%0.56662%0.619SS**  trans-43.9118.3-169.715.60000103.9M571 I575M571-S573 WeakPolarHBondContact O-CA 3.46Å; M571-S573 PolarHBondContact O-N 3Å; S573-I575 PolarHBondContact O-N 2.69Å
574C48.1Very low50.1Low124 Ų124112.7 Ų112.784%0.83861%0.613SS**  trans-57.393.5169.9-55.60000103.2T572 S576T572-C574 PolarHBondContact O-N 3.34Å; C574-S576 PolarHBondContact O-N 2.67Å
575I54.1Low50.7Low92 Ų92111.3 Ų111.347%0.47261%0.609SS.*  trans-60.2104.6176.5-63.6177.4000100.9S573 L577 E579 R580S573-I575 PolarHBondContact O-N 2.69Å; I575-L577 PolarHBondContact O-N 2.92Å; I575-E579 WeakPolarHBondContact CA-OE2 3.3Å; I575-E579 HydrophobicContact CG2-CB 3.45Å; I575-E579 VanDerWaalsContact CG2-CB 3.45Å; I575-R580 HydrophobicContact CG2-CG 3.87Å
576S54.2Low51.1Low51 Ų51110.6 Ų110.636%0.35762%0.62SS.*  trans-53.3145.8-176.7171.20000106.1C574 A578 E579 R580C574-S576 PolarHBondContact O-N 2.67Å; S576-A578 CarbonylContact O-C 3.58Å; S576-A578 PolarHBondContact O-N 2.91Å; S576-A578 WeakPolarHBondContact OG-CB 3.21Å; S576-A578 PolarHBondContact OG-N 3.33Å; S576-E579 WeakPolarHBondContact O-CA 3.19Å; S576-E579 PolarHBondContact O-N 3.15Å; S576-R580 PolarHBondContact O-N 3.13Å; S576-R580 VanDerWaalsContact O-N 3.07Å
577L57.2Low51.3Low123 Ų123110.4 Ų110.464%0.64462%0.619SS**Hα-helixtrans-50-30.7172.3-69.4170.5000110.3I575 E579 R580 Y581I575-L577 PolarHBondContact O-N 2.92Å; L577-E579 PolarHBondContact O-N 3.03Å; L577-R580 PolarHBondContact O-N 2.93Å; L577-Y581 HydrophobicContact CD2-CE2 4.39Å; L577-Y581 WeakPolarHBondContact O-CD2 3.34Å; L577-Y581 PolarHBondContact O-N 3.12Å
578A54.6Low51.6Low3 Ų3114.3 Ų114.33%0.02564%0.638CS.*Hα-helixtrans-56.1-47.7170.700000113.8S576 Y581 G582 L583 I588S576-A578 CarbonylContact O-C 3.58Å; S576-A578 PolarHBondContact O-N 2.91Å; S576-A578 WeakPolarHBondContact OG-CB 3.21Å; S576-A578 PolarHBondContact OG-N 3.33Å; A578-Y581 CarbonylContact O-C 3.51Å; A578-Y581 PolarHBondContact O-N 2.8Å; A578-G582 CarbonylContact O-C 3.58Å; A578-G582 PolarHBondContact O-N 3.13Å; A578-L583 HydrophobicContact CB-CB 4.33Å; A578-L583 PolarHBondContact O-N 2.95Å; A578-I588 HydrophobicContact CB-CD1 3.75Å
579E59.4Low52.2Low121 Ų121114.2 Ų114.257%0.56563%0.632SS**Hα-helixtrans-69.4-35.2177.6-73.7-177.515100112I575 S576 L577 Y581 G582I575-E579 WeakPolarHBondContact CA-OE2 3.3Å; I575-E579 HydrophobicContact CG2-CB 3.45Å; I575-E579 VanDerWaalsContact CG2-CB 3.45Å; S576-E579 WeakPolarHBondContact O-CA 3.19Å; S576-E579 PolarHBondContact O-N 3.15Å; L577-E579 PolarHBondContact O-N 3.03Å; E579-Y581 VanDerWaalsContact C-N 3.26Å; E579-Y581 PolarHBondContact O-N 3.08Å; E579-G582 PolarHBondContact O-N 3.35Å
580R58.2Low52.7Low189 Ų189113.5 Ų113.571%0.71363%0.634SS**Hα-helixtrans-63.9-32.4173.9-85.1-166.2-175.4-1361.9112.8I575 S576 L577I575-R580 HydrophobicContact CG2-CG 3.87Å; S576-R580 PolarHBondContact O-N 3.13Å; S576-R580 VanDerWaalsContact O-N 3.07Å; L577-R580 PolarHBondContact O-N 2.93Å
581Y63.3Low53.4Low176 Ų176114.5 Ų114.569%0.6963%0.632SS**THydrogen-bonded Turntrans-102.25.1-179.5-67.5-67.2000113.7L577 A578 E579 L583L577-Y581 HydrophobicContact CD2-CE2 4.39Å; L577-Y581 WeakPolarHBondContact O-CD2 3.34Å; L577-Y581 PolarHBondContact O-N 3.12Å; A578-Y581 CarbonylContact O-C 3.51Å; A578-Y581 PolarHBondContact O-N 2.8Å; E579-Y581 VanDerWaalsContact C-N 3.26Å; E579-Y581 PolarHBondContact O-N 3.08Å; Y581-L583 PolarHBondContact O-N 3.07Å
582G58.2Low53.9Low64 Ų64110.4 Ų110.466%0.6662%0.616SS**THydrogen-bonded Turntrans6223.5-17900000114A578 E579A578-G582 CarbonylContact O-C 3.58Å; A578-G582 PolarHBondContact O-N 3.13Å; E579-G582 PolarHBondContact O-N 3.35Å
583L57.8Low54.4Low99 Ų99110.2 Ų110.252%0.51861%0.61SS.*  trans-74.3132.5179.8-72.5164.5000109.5A578 Y581 V585A578-L583 HydrophobicContact CB-CB 4.33Å; A578-L583 PolarHBondContact O-N 2.95Å; Y581-L583 PolarHBondContact O-N 3.07Å; L583-V585 PolarHBondContact O-N 3.33Å; L583-V585 VanDerWaalsContact O-N 3.11Å
584P51.2Low54.7Low92 Ų92112.1 Ų112.160%0.59761%0.613SS**  trans-54.9121.1169.9-19.629.9000108.9A586 E587P584-A586 PolarHBondContact O-N 2.8Å; P584-E587 PolarHBondContact O-N 3.2Å
585V55.7Low55.2Low99 Ų99111.3 Ų111.360%0.660%0.597SS**G310 helixtrans-61-6178.2-174.90000112.1L583 E587L583-V585 PolarHBondContact O-N 3.33Å; L583-V585 VanDerWaalsContact O-N 3.11Å; V585-E587 PolarHBondContact O-N 2.9Å
586A54.5Low55.3Low95 Ų95112.8 Ų112.879%0.78561%0.607SS**G310 helixtrans-69.9-6.1177.300000115P584P584-A586 PolarHBondContact O-N 2.8Å
587E47.2Very low55.4Low178 Ų178117.9 Ų117.983%0.83263%0.628SS**G310 helixtrans-112.48.7179.6-81.5-174.6164.100115.4P584 V585P584-E587 PolarHBondContact O-N 3.2Å; V585-E587 PolarHBondContact O-N 2.9Å
588I47.1Very low55.2Low176 Ų176117.5 Ų117.590%0.90363%0.626SS**  trans-107.80168.6-45.8176.9000108.4A578A578-I588 HydrophobicContact CB-CD1 3.75Å

Retrieved 588 of 588 residues in 475.7 ms (Link to these results)