A0A3Q0KM37_SCHMA Loading...

STARP antigen, putative

AlphaFold DB , UniProt , Accession A0A3Q0KM37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 498 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.5Low58.5Low245 Ų245153 Ų153100%1.20783%0.825SS**  090.80-149.5163.476.500106.8
2I61.4Low58.2Low151 Ų151151.7 Ų151.777%0.77483%0.826SS**  trans-118.3127.6-179-60.1172.5000104.9Y4I2-Y4 PolarHBondContact O-N 3.48Å
3P68.2Low58.1Low113 Ų113158.1 Ų158.173%0.73483%0.831SS**  trans-75.4127.3-17929.3-29.9000110.1
4Y58.3Low58.4Low225 Ų225155.8 Ų155.888%0.88283%0.826SS**  trans-68.5126.4161.9-84.9-101.5000108.5I2I2-Y4 PolarHBondContact O-N 3.48Å
5T66Low59Low132 Ų132151.9 Ų151.981%0.8181%0.813SS**  trans-110.6101.9162.853.10000108.3S7T5-S7 PolarHBondContact O-N 3.22Å
6E56.6Low59.4Low176 Ų176149.9 Ų149.982%0.82281%0.811SS**  trans-66118.4163.1-69.7175.2158.200108.7
7S58.5Low59.5Low118 Ų118150.9 Ų150.983%0.82581%0.813SS**  trans-107.288.5168178.10000108T5 G9T5-S7 PolarHBondContact O-N 3.22Å; S7-G9 PolarHBondContact O-N 3.35Å; S7-G9 VanDerWaalsContact O-N 3.15Å
8C52.4Low59.3Low120 Ų120146.8 Ų146.881%0.81180%0.804SS**  trans-71.292.9163.3-69.20000108.6
9G62.1Low58.7Low68 Ų68146.2 Ų146.270%0.70180%0.799SS**  trans-107.391.7175.100000111.4S7S7-G9 PolarHBondContact O-N 3.35Å; S7-G9 VanDerWaalsContact O-N 3.15Å
10N54.8Low58.3Low134 Ų134146.5 Ų146.572%0.71780%0.799SS**  trans-55.4129.1173.2-83.1-41.7000113
11Y48.1Very low57.9Low201 Ų201147 Ų14779%0.78880%0.795SS**  trans33.2104144.5-53.1-83.2000118.7
12T54Low57.4Low137 Ų137138.1 Ų138.184%0.8476%0.757SS**  -140.695.7127.9-400000108.3V14T12-V14 PolarHBondContact O-N 3.39Å
13R57.1Low56.9Low235 Ų235136.7 Ų136.789%0.88776%0.757SS**  trans-59.1104.9174.7-162.1-174.8-148.2-159.56.2107.6P15R13-P15 WeakPolarHBondContact O-CD 3.4Å
14V63.2Low55.9Low126 Ų126140.9 Ų140.976%0.76476%0.76SS**PPolyproline II helixtrans-60.2119.8169.3-177.80000106.5T12T12-V14 PolarHBondContact O-N 3.39Å
15P67.3Low55.3Low98 Ų98137.4 Ų137.464%0.63675%0.751SS**PPolyproline II helixtrans-62.3139.6177.523.5-29.7000108.9R13 I17R13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-I17 PolarHBondContact O-N 3.48Å
16P65.4Low54.4Low119 Ų119138.3 Ų138.377%0.77375%0.75SS**PPolyproline II helixtrans-57.9132.8173.325.1-31.6000108.2A18P16-A18 PolarHBondContact O-N 3.08Å
17I61.2Low53.7Low167 Ų167136.7 Ų136.786%0.85674%0.742SS**  trans-63.691173.8-59.6172.6000106.5P15 N19P15-I17 PolarHBondContact O-N 3.48Å; I17-N19 PolarHBondContact O-N 3.28Å
18A55.2Low53Low77 Ų77138.6 Ų138.664%0.63674%0.738SS**  trans-63.7125.5167.600000106.8P16 I20P16-A18 PolarHBondContact O-N 3.08Å; A18-I20 WeakPolarHBondContact O-CG1 3.45Å; A18-I20 PolarHBondContact O-N 3.07Å
19N47.6Very low52.6Low135 Ų135139.7 Ų139.772%0.72274%0.735SS**  trans-54.295.2-179.2-157.51.2000109.7I17 H21I17-N19 PolarHBondContact O-N 3.28Å; N19-H21 PolarHBondContact O-N 3.27Å
20I51.6Low51.7Low153 Ų153142 Ų14279%0.78573%0.731SS**  trans-7383.8173.3-43.5177.3000106.4A18 S22A18-I20 WeakPolarHBondContact O-CG1 3.45Å; A18-I20 PolarHBondContact O-N 3.07Å; I20-S22 PolarHBondContact O-N 2.91Å
21H49.2Very low51.5Low158 Ų158140.6 Ų140.673%0.73173%0.732SS**  trans-60.982.2151.6-88.474.3000106.7N19 P23N19-H21 PolarHBondContact O-N 3.27Å; H21-P23 WeakPolarHBondContact O-CD 3.4Å
22S46.7Very low51.3Low57 Ų57138.7 Ų138.740%0.39974%0.735SS.*  trans-69.1120164.1-178.20000107.4I20 Y24I20-S22 PolarHBondContact O-N 2.91Å; S22-Y24 PolarHBondContact O-N 3.04Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.34Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.43Å
23P51.9Low51Low121 Ų121135.5 Ų135.579%0.78673%0.729SS**  trans-80.265.9171.836.1-30.9000107.3H21 H25H21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-H25 PolarHBondContact O-N 3.39Å
24Y47.3Very low50.6Low201 Ų201130.4 Ų130.479%0.78873%0.729SS**  trans-72.388.4157.8-74.9-63.2000106.6S22 I26S22-Y24 PolarHBondContact O-N 3.04Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.34Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.43Å; Y24-I26 PolarHBondContact O-N 3.08Å
25H45Very low49.7Very low152 Ų152129.9 Ų129.970%0.70473%0.732SS**  trans-48.786.6157.918061.8000108.1P23 Q27P23-H25 PolarHBondContact O-N 3.39Å; H25-Q27 WeakPolarHBondContact NE2-CG 3.37Å; H25-Q27 PolarHBondContact O-N 3.49Å
26I48.2Very low49Very low152 Ų152130.3 Ų130.378%0.77974%0.737SS**  trans-65.7100.5158.2-61.6-179.9000103.6Y24 Q28Y24-I26 PolarHBondContact O-N 3.08Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.9Å
27Q42Very low48.2Very low142 Ų142131 Ų13166%0.66474%0.739SS**  trans-49.5102.7166.5-85.6-179.9-12.700107.6H25 I29H25-Q27 WeakPolarHBondContact NE2-CG 3.37Å; H25-Q27 PolarHBondContact O-N 3.49Å; Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 3.14Å
28Q42.1Very low47.3Very low158 Ų158129.5 Ų129.574%0.73874%0.742SS**  trans-67.6100.9162.9-150174.45.100104.2I26 N30I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.9Å; Q28-N30 PolarHBondContact O-N 3.19Å
29I45.5Very low47.2Very low143 Ų143129.9 Ų129.973%0.73375%0.745SS**  trans-67.979.9173.9-51.4173.4000106.5Q27 S31Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 3.14Å; I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.47Å
30N43.5Very low47.2Very low115 Ų115129.3 Ų129.362%0.61575%0.751SS**  trans-85.979162.7-68.9-12.9000105.6Q28 N32Q28-N30 PolarHBondContact O-N 3.19Å; N30-N32 PolarHBondContact O-N 2.95Å
31S49.1Very low47.5Very low106 Ų106128.7 Ų128.774%0.74175%0.75SS**  trans-70.384.4168.739.20000108.9I29I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.47Å
32N44.4Very low47.6Very low161 Ų161129.8 Ų129.886%0.86176%0.755SS**  trans-71.9132.7153.6-84.3-13000108.2N30N30-N32 PolarHBondContact O-N 2.95Å
33G47Very low48Very low69 Ų69134.5 Ų134.571%0.71178%0.776SS**  trans114.191.7164.700000113.8
34S50.4Low48.3Very low128 Ų128135.3 Ų135.390%0.89578%0.779SS**  -178.3128.7106.8-75.20000110.2
35S44Very low48.9Very low116 Ų116133.8 Ų133.881%0.81178%0.783SS**  trans-62.5159.9176.7-52.30000112.9
36S52.2Low49.4Very low107 Ų107131.2 Ų131.275%0.74878%0.781SS**  trans109.1136.6144.583.30000117.9
37T48.7Very low49.8Very low134 Ų134129 Ų12982%0.82278%0.779SS**  trans76.896162.554.80000119.6
38C42.6Very low50.6Low135 Ų135132.7 Ų132.791%0.91279%0.787SS**  trans-48.8129.3154.5-54.10000112.3
39A52Low51.4Low85 Ų85136 Ų13670%0.70279%0.793SS**  trans-158.383.715300000110.1N41A39-N41 PolarHBondContact O-N 3.45Å; A39-N41 VanDerWaalsContact O-N 3.16Å
40S48.7Very low51.9Low122 Ų122131.8 Ų131.885%0.85378%0.784SS**  66.613.688.1164.40000119.9
41N56.5Low53Low141 Ų141138.6 Ų138.675%0.75480%0.801SS**  trans-131.4112.6-177.4-61.945.2000113.1A39A39-N41 PolarHBondContact O-N 3.45Å; A39-N41 VanDerWaalsContact O-N 3.16Å
42E52Low54Low180 Ų180144.3 Ų144.384%0.84181%0.807SS**  trans-55.8155.3174.2-60.8170.8147.700112.1
43N55.5Low55.5Low156 Ų156139.4 Ų139.483%0.83479%0.785SS**  trans80.465.3171.5-56.2-26.2000118.2
44T57.8Low57.3Low139 Ų139144.1 Ų144.185%0.85379%0.794SS**  trans-131.5107.3145.139.20000110.7C46T44-C46 PolarHBondContact O-N 2.95Å; T44-C46 VanDerWaalsContact O-N 3.17Å
45I59.6Low58.9Low168 Ų168141.1 Ų141.186%0.86277%0.77SS**  trans-45.3118.8176.5-59.6160.7000108.7S47I45-S47 VanDerWaalsContact C-N 3.28Å; I45-S47 PolarHBondContact O-N 3.27Å
46C55.5Low61.2Low99 Ų99138.8 Ų138.867%0.66975%0.752SS**  trans-49.789.8172-98.60000110.5T44 R48T44-C46 PolarHBondContact O-N 2.95Å; T44-C46 VanDerWaalsContact O-N 3.17Å; C46-R48 HydrophobicContact CB-CG 4.25Å; C46-R48 PolarHBondContact O-N 3.09Å
47S55.7Low62.9Low106 Ų106138.5 Ų138.574%0.74175%0.747SS**  trans-73.667.4166.2-169.30000108I45 R49I45-S47 VanDerWaalsContact C-N 3.28Å; I45-S47 PolarHBondContact O-N 3.27Å; S47-R49 PolarHBondContact O-N 3.38Å
48R59.3Low65.1Low219 Ų219138.8 Ų138.883%0.82674%0.74SS**  trans-7442.1167.6-71.2-174.2-180-157.90.2109.9C46 G50C46-R48 HydrophobicContact CB-CG 4.25Å; C46-R48 PolarHBondContact O-N 3.09Å; R48-G50 PolarHBondContact O-N 3.1Å
49R59.4Low67.5Low228 Ų228136.3 Ų136.386%0.8672%0.716SS**  trans-78.683.7177.2-154.4174.8-163.3-167.15.1107.9S47S47-R49 PolarHBondContact O-N 3.38Å
50G56.9Low69.4Low54 Ų54138.2 Ų138.256%0.55771%0.705SS**  trans26.7111.4161.900000116.5R48 R52R48-G50 PolarHBondContact O-N 3.1Å; G50-R52 VanDerWaalsContact C-N 3.27Å; G50-R52 PolarHBondContact O-N 3.11Å
51R66.2Low71.6Confident257 Ų257135.3 Ų135.397%0.9768%0.678SS**  trans-47100154.7-85.5-175.3161.3-152.3-3.8107.5S53R51-S53 PolarHBondContact O-N 3.47Å; R51-S53 VanDerWaalsContact O-N 3.11Å
52R68.7Low73.5Confident227 Ų227133.8 Ų133.886%0.85767%0.667SS**  trans-57.5120.8172.9-67.6-176.2174-147.8-0.6104.7G50 N54G50-R52 VanDerWaalsContact C-N 3.27Å; G50-R52 PolarHBondContact O-N 3.11Å; R52-N54 PolarHBondContact O-N 3.17Å; R52-N54 VanDerWaalsContact O-N 3.15Å
53S75.7Confident75.6Confident57 Ų57128.1 Ų128.140%0.39965%0.645SS.*  trans-55.3125.9176.157.40000108.1R51 V55 R60R51-S53 PolarHBondContact O-N 3.47Å; R51-S53 VanDerWaalsContact O-N 3.11Å; S53-V55 PolarHBondContact O-N 3.36Å; S53-R60 PolarHBondContact O-NH2 2.88Å; S53-R60 VanDerWaalsContact OG-CZ 3.29Å; S53-R60 PolarHBondContact OG-NE 3.46Å; S53-R60 PolarHBondContact OG-NH2 3.32Å
54N84.8Confident77.5Confident169 Ų169128.5 Ų128.590%0.90463%0.634SS**  trans-663.2172.6-70.1-17.2000112.7R52 P56R52-N54 PolarHBondContact O-N 3.17Å; R52-N54 VanDerWaalsContact O-N 3.15Å; N54-P56 VanDerWaalsContact O-CD 3.3Å; N54-P56 WeakPolarHBondContact O-CD 3.31Å
55V85.8Confident79.4Confident65 Ų65129.3 Ų129.339%0.39462%0.622SS.*SBendtrans-69.7118.7175-177.20000108.8S53 I59 R60S53-V55 PolarHBondContact O-N 3.36Å; V55-I59 HydrophobicContact CG1-CB 3.77Å; V55-I59 HydrophobicContact CG1-CG2 3.66Å; V55-R60 HydrophobicContact CG1-CB 4.44Å; V55-R60 PolarHBondContact O-NH2 3.21Å
56P91.4Very high81.2Confident67 Ų67126.5 Ų126.544%0.43561%0.608SS.*  trans-47.1139.7174.1-29.835.2000112N54 E58 I59 R60N54-P56 VanDerWaalsContact O-CD 3.3Å; N54-P56 WeakPolarHBondContact O-CD 3.31Å; P56-E58 PolarHBondContact O-N 3.21Å; P56-E58 VanDerWaalsContact O-N 3.12Å; P56-I59 HydrophobicContact CB-CD1 4.39Å; P56-I59 HydrophobicContact CB-CG1 4.33Å; P56-I59 HydrophobicContact CG-CD1 4.07Å; P56-I59 PolarHBondContact O-N 3.32Å; P56-I59 VanDerWaalsContact O-N 3.08Å; P56-R60 PolarHBondContact O-N 2.93Å; P56-R60 VanDerWaalsContact O-N 3.09Å
57P88Confident83.2Confident100 Ų100128.6 Ų128.665%0.64961%0.605SS**Hα-helixtrans-51.8-36.4-178.6-28.235.1000113.7R60 E61P57-R60 WeakPolarHBondContact O-CB 3.34Å; P57-R60 PolarHBondContact O-N 3.09Å; P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.08Å
58E94.2Very high85.2Confident141 Ų141128.7 Ų128.766%0.65959%0.593SS**Hα-helixtrans-64.9-44.9178.8-172.3165.4-178.700112.8P56 R60 E61 Q62P56-E58 PolarHBondContact O-N 3.21Å; P56-E58 VanDerWaalsContact O-N 3.12Å; E58-R60 VanDerWaalsContact C-N 3.29Å; E58-R60 PolarHBondContact O-N 3.42Å; E58-E61 PolarHBondContact O-N 2.93Å; E58-Q62 WeakPolarHBondContact O-CG 3.43Å; E58-Q62 PolarHBondContact O-N 3.38Å
59I94.2Very high87Confident83 Ų83123.5 Ų123.543%0.42658%0.578SS.*Hα-helixtrans-64.9-37.4175.7-61.6-178.9000110.6V55 P56 E61 T63V55-I59 HydrophobicContact CG1-CB 3.77Å; V55-I59 HydrophobicContact CG1-CG2 3.66Å; P56-I59 HydrophobicContact CB-CD1 4.39Å; P56-I59 HydrophobicContact CB-CG1 4.33Å; P56-I59 HydrophobicContact CG-CD1 4.07Å; P56-I59 PolarHBondContact O-N 3.32Å; P56-I59 VanDerWaalsContact O-N 3.08Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 PolarHBondContact O-N 3.32Å; I59-T63 PolarHBondContact O-OG1 2.91Å
60R92.2Very high88.9Confident124 Ų124116.1 Ų116.147%0.46856%0.556SS.*Hα-helixtrans-63-42.4176.3-167.6-176.4-55.5149.614.7111.2S53 V55 P56 P57 E58 T63 R64S53-R60 PolarHBondContact O-NH2 2.88Å; S53-R60 VanDerWaalsContact OG-CZ 3.29Å; S53-R60 PolarHBondContact OG-NE 3.46Å; S53-R60 PolarHBondContact OG-NH2 3.32Å; V55-R60 HydrophobicContact CG1-CB 4.44Å; V55-R60 PolarHBondContact O-NH2 3.21Å; P56-R60 PolarHBondContact O-N 2.93Å; P56-R60 VanDerWaalsContact O-N 3.09Å; P57-R60 WeakPolarHBondContact O-CB 3.34Å; P57-R60 PolarHBondContact O-N 3.09Å; E58-R60 VanDerWaalsContact C-N 3.29Å; E58-R60 PolarHBondContact O-N 3.42Å; R60-T63 PolarHBondContact O-N 3.13Å; R60-R64 WeakPolarHBondContact O-CB 3.2Å; R60-R64 PolarHBondContact O-N 3.01Å
61E94.5Very high90.8Very high62 Ų62119.4 Ų119.429%0.2956%0.558SS.*Hα-helixtrans-70.8-42.6178.5-178.353.7-152.700111.9P57 E58 I59 T63 R64 R65P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.08Å; E58-E61 PolarHBondContact O-N 2.93Å; I59-E61 VanDerWaalsContact C-N 3.33Å; E61-T63 VanDerWaalsContact C-N 3.3Å; E61-T63 PolarHBondContact O-N 3.27Å; E61-R64 WeakPolarHBondContact O-CB 3.33Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-R64 IonicContact OE1-NH1 4Å; E61-R64 IonicContact OE2-NH1 3.34Å; E61-R64 PolarHBondContact OE2-NH1 2.76Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.38Å; E61-R65 WeakPolarHBondContact OE1-CG 3.42Å; E61-R65 IonicContact OE1-CZ 2.82Å; E61-R65 IonicContact OE1-NE 3.63Å; E61-R65 PolarHBondContact OE1-NE 2.86Å; E61-R65 IonicContact OE1-NH2 2.77Å
62Q96.4Very high92.3Very high108 Ų108109.9 Ų109.951%0.50552%0.524SS..Hα-helixtrans-57.6-43.5172-71.8178-0.500111.7E58 R64 R65 L66E58-Q62 WeakPolarHBondContact O-CG 3.43Å; E58-Q62 PolarHBondContact O-N 3.38Å; Q62-R64 PolarHBondContact O-N 3.27Å; Q62-R65 PolarHBondContact O-N 3.27Å; Q62-L66 WeakPolarHBondContact O-CB 3.44Å; Q62-L66 PolarHBondContact O-N 3.25Å
63T96.2Very high93.8Very high62 Ų62107.4 Ų107.438%0.3852%0.515SS..Hα-helixtrans-63.5-41175.6-57.80000111.6I59 R60 E61 L66 K67I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 PolarHBondContact O-N 3.32Å; I59-T63 PolarHBondContact O-OG1 2.91Å; R60-T63 PolarHBondContact O-N 3.13Å; E61-T63 VanDerWaalsContact C-N 3.3Å; E61-T63 PolarHBondContact O-N 3.27Å; T63-L66 PolarHBondContact O-N 3.26Å; T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 HydrophobicContact CG2-CG 4.45Å; T63-K67 WeakPolarHBondContact O-CB 3.05Å; T63-K67 WeakPolarHBondContact O-CG 3.45Å; T63-K67 PolarHBondContact O-N 2.98Å
64R95.3Very high94.8Very high164 Ų164112.5 Ų112.562%0.61953%0.525SS*.Hα-helixtrans-62.6-46176.5-178.1-178170.4-136.6-0.4111.1R60 E61 Q62 K67 K68R60-R64 WeakPolarHBondContact O-CB 3.2Å; R60-R64 PolarHBondContact O-N 3.01Å; E61-R64 WeakPolarHBondContact O-CB 3.33Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-R64 IonicContact OE1-NH1 4Å; E61-R64 IonicContact OE2-NH1 3.34Å; E61-R64 PolarHBondContact OE2-NH1 2.76Å; Q62-R64 PolarHBondContact O-N 3.27Å; R64-K67 PolarHBondContact O-N 3.49Å; R64-K68 WeakPolarHBondContact O-CB 3.42Å; R64-K68 PolarHBondContact O-N 2.81Å
65R96.9Very high95.5Very high155 Ų155111 Ų11159%0.58551%0.507SS*.Hα-helixtrans-61.2-45.5176.5-69.1174.6-174.5-175.1-1.3111.9E61 Q62 K68 Q69E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.38Å; E61-R65 WeakPolarHBondContact OE1-CG 3.42Å; E61-R65 IonicContact OE1-CZ 2.82Å; E61-R65 IonicContact OE1-NE 3.63Å; E61-R65 PolarHBondContact OE1-NE 2.86Å; E61-R65 IonicContact OE1-NH2 2.77Å; Q62-R65 PolarHBondContact O-N 3.27Å; R65-K68 WeakPolarHBondContact O-CB 3.41Å; R65-K68 PolarHBondContact O-N 2.93Å; R65-Q69 WeakPolarHBondContact O-CG 3.42Å; R65-Q69 PolarHBondContact O-N 2.96Å
66L97.6Very high96Very high109 Ų109115.7 Ų115.757%0.57152%0.518SS*.Hα-helixtrans-64.5-43.4177.7-17662.4000112.1Q62 T63 K68 Q69 N70Q62-L66 WeakPolarHBondContact O-CB 3.44Å; Q62-L66 PolarHBondContact O-N 3.25Å; T63-L66 PolarHBondContact O-N 3.26Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.45Å; L66-Q69 PolarHBondContact O-N 3Å; L66-N70 WeakPolarHBondContact O-CB 3.4Å; L66-N70 PolarHBondContact O-N 3.05Å
67K97.7Very high96.3Very high143 Ų143114.9 Ų114.962%0.62252%0.517SS*.Hα-helixtrans-60-43.1173.8-78.1-178.7176.7-176.70111.4T63 R64 N70 M71T63-K67 HydrophobicContact CG2-CD 4.23Å; T63-K67 HydrophobicContact CG2-CG 4.45Å; T63-K67 WeakPolarHBondContact O-CB 3.05Å; T63-K67 WeakPolarHBondContact O-CG 3.45Å; T63-K67 PolarHBondContact O-N 2.98Å; R64-K67 PolarHBondContact O-N 3.49Å; K67-N70 PolarHBondContact O-N 3.29Å; K67-M71 WeakPolarHBondContact O-CB 3.18Å; K67-M71 VanDerWaalsContact O-CG 3.31Å; K67-M71 WeakPolarHBondContact O-CG 3.47Å; K67-M71 PolarHBondContact O-N 3.44Å
68K97.4Very high96.8Very high109 Ų109112.9 Ų112.947%0.47451%0.505SS..Hα-helixtrans-60.3-47.1176.4-173.8179.8174.6-172.60111.5R64 R65 L66 M71 E72 D498R64-K68 WeakPolarHBondContact O-CB 3.42Å; R64-K68 PolarHBondContact O-N 2.81Å; R65-K68 WeakPolarHBondContact O-CB 3.41Å; R65-K68 PolarHBondContact O-N 2.93Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.45Å; K68-M71 PolarHBondContact O-N 2.75Å; K68-E72 PolarHBondContact O-N 2.93Å; K68-E72 VanDerWaalsContact O-N 3.07Å; K68-D498 PolarHBondContact NZ-O 2.74Å; K68-D498 PolarHBondContact NZ-OXT 2.89Å
69Q98Very high96.9Very high110 Ų110110.4 Ų110.451%0.51450%0.495SS..Hα-helixtrans-63.1-42.1175.7-72-177.5-4.100112.7R65 L66 E72 R73R65-Q69 WeakPolarHBondContact O-CG 3.42Å; R65-Q69 PolarHBondContact O-N 2.96Å; L66-Q69 PolarHBondContact O-N 3Å; Q69-E72 PolarHBondContact O-N 3.4Å; Q69-R73 WeakPolarHBondContact O-CG 2.97Å; Q69-R73 PolarHBondContact O-N 3.32Å
70N98.3Very high96.9Very high73 Ų73107.7 Ų107.739%0.3948%0.483SS..Hα-helixtrans-63.6-45.3178.1-168.6-44.2000111.4L66 K67 E72 R73 R74L66-N70 WeakPolarHBondContact O-CB 3.4Å; L66-N70 PolarHBondContact O-N 3.05Å; K67-N70 PolarHBondContact O-N 3.29Å; N70-E72 VanDerWaalsContact C-N 3.3Å; N70-E72 PolarHBondContact O-N 3.49Å; N70-R73 PolarHBondContact O-N 2.88Å; N70-R74 WeakPolarHBondContact O-CG 3.45Å; N70-R74 PolarHBondContact O-N 3.4Å; N70-R74 PolarHBondContact OD1-NE 3.33Å
71M97.8Very high97Very high122 Ų122106.7 Ų106.760%0.60149%0.487SS*.Hα-helixtrans-58.2-42.3175.1-74.6-58.5-60.600112K67 K68 R74 R75K67-M71 WeakPolarHBondContact O-CB 3.18Å; K67-M71 VanDerWaalsContact O-CG 3.31Å; K67-M71 WeakPolarHBondContact O-CG 3.47Å; K67-M71 PolarHBondContact O-N 3.44Å; K68-M71 PolarHBondContact O-N 2.75Å; M71-R74 PolarHBondContact O-N 3.13Å; M71-R75 PolarHBondContact O-N 3.25Å
72E98.1Very high97.1Very high57 Ų57110.8 Ų110.827%0.26650%0.504SS..Hα-helixtrans-66.8-40.4176.3177.757.1-164.700112.5K68 Q69 N70 R74 R75 R76K68-E72 PolarHBondContact O-N 2.93Å; K68-E72 VanDerWaalsContact O-N 3.07Å; Q69-E72 PolarHBondContact O-N 3.4Å; N70-E72 VanDerWaalsContact C-N 3.3Å; N70-E72 PolarHBondContact O-N 3.49Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.27Å; E72-R75 WeakPolarHBondContact O-CB 3.45Å; E72-R75 PolarHBondContact O-N 3.11Å; E72-R75 IonicContact OE1-CZ 3.56Å; E72-R75 IonicContact OE1-NE 3.33Å; E72-R75 IonicContact OE1-NH2 3.48Å; E72-R75 PolarHBondContact OE1-NH2 3Å; E72-R75 IonicContact OE2-CZ 3.66Å; E72-R75 IonicContact OE2-NE 3.66Å; E72-R75 PolarHBondContact OE2-NE 2.85Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.42Å; E72-R76 WeakPolarHBondContact O-CG 3.23Å; E72-R76 PolarHBondContact O-N 3.42Å; E72-R76 IonicContact OE1-CZ 2.67Å; E72-R76 IonicContact OE1-NE 2.7Å; E72-R76 PolarHBondContact OE1-NE 3.37Å; E72-R76 IonicContact OE1-NH2 3.18Å
73R98.3Very high97Very high176 Ų176107 Ų10766%0.66449%0.487SS*.Hα-helixtrans-59.2-44.3173.8-72.2178.3-172.3175.23.1111.6Q69 N70 R76 A77Q69-R73 WeakPolarHBondContact O-CG 2.97Å; Q69-R73 PolarHBondContact O-N 3.32Å; N70-R73 PolarHBondContact O-N 2.88Å; R73-R76 PolarHBondContact O-N 3.24Å; R73-A77 PolarHBondContact O-N 3.13Å
74R98.3Very high96.8Very high164 Ų164107.2 Ų107.262%0.61949%0.486SS*.Hα-helixtrans-62-42.3175.6-69.2178.3-174-155.3-6.6112N70 M71 E72 R76 A77 C78N70-R74 WeakPolarHBondContact O-CG 3.45Å; N70-R74 PolarHBondContact O-N 3.4Å; N70-R74 PolarHBondContact OD1-NE 3.33Å; M71-R74 PolarHBondContact O-N 3.13Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-R74 PolarHBondContact O-N 3.27Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.24Å; R74-A77 PolarHBondContact O-N 3.09Å; R74-C78 WeakPolarHBondContact O-CB 3.49Å; R74-C78 PolarHBondContact O-N 2.91Å
75R98.4Very high96.8Very high136 Ų136102.3 Ų102.351%0.51348%0.48SS..Hα-helixtrans-59.1-46.4175.7-167.9-175.172.894.63.9111.1M71 E72 C78 I79M71-R75 PolarHBondContact O-N 3.25Å; E72-R75 WeakPolarHBondContact O-CB 3.45Å; E72-R75 PolarHBondContact O-N 3.11Å; E72-R75 IonicContact OE1-CZ 3.56Å; E72-R75 IonicContact OE1-NE 3.33Å; E72-R75 IonicContact OE1-NH2 3.48Å; E72-R75 PolarHBondContact OE1-NH2 3Å; E72-R75 IonicContact OE2-CZ 3.66Å; E72-R75 IonicContact OE2-NE 3.66Å; E72-R75 PolarHBondContact OE2-NE 2.85Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.42Å; R75-C78 PolarHBondContact O-N 3.13Å; R75-I79 HydrophobicContact CG-CD1 4.18Å; R75-I79 VanDerWaalsContact O-CG1 3.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.23Å
76R97.4Very high96.7Very high164 Ų16497.9 Ų97.962%0.61947%0.467SS*.Hα-helixtrans-64.6-41.6178.8-69.8179.8-174.7-165-0.9113E72 R73 R74 I79 S80E72-R76 WeakPolarHBondContact O-CG 3.23Å; E72-R76 PolarHBondContact O-N 3.42Å; E72-R76 IonicContact OE1-CZ 2.67Å; E72-R76 IonicContact OE1-NE 2.7Å; E72-R76 PolarHBondContact OE1-NE 3.37Å; E72-R76 IonicContact OE1-NH2 3.18Å; R73-R76 PolarHBondContact O-N 3.24Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.24Å; R76-I79 PolarHBondContact O-N 3.25Å; R76-S80 PolarHBondContact O-N 3.43Å
77A97.6Very high96.5Very high50 Ų5093.4 Ų93.441%0.41344%0.444SS..Hα-helixtrans-59-51.2174.300000110.7R73 R74 I79 S80 D81R73-A77 PolarHBondContact O-N 3.13Å; R74-A77 PolarHBondContact O-N 3.09Å; A77-I79 VanDerWaalsContact C-N 3.3Å; A77-I79 PolarHBondContact O-N 3.49Å; A77-S80 WeakPolarHBondContact O-CB 3.4Å; A77-S80 PolarHBondContact O-N 2.97Å; A77-D81 VanDerWaalsContact O-CG 3.23Å; A77-D81 PolarHBondContact O-N 3.38Å
78C98Very high96.3Very high59 Ų5989.9 Ų89.940%0.39943%0.432SS..Hα-helixtrans-58.1-38.7178.1-178.20000113.2R74 R75 D81 K82R74-C78 WeakPolarHBondContact O-CB 3.49Å; R74-C78 PolarHBondContact O-N 2.91Å; R75-C78 PolarHBondContact O-N 3.13Å; C78-D81 PolarHBondContact O-N 3.25Å; C78-K82 WeakPolarHBondContact O-CG 3.39Å; C78-K82 PolarHBondContact O-N 3.44Å; C78-K82 VanDerWaalsContact O-N 3.1Å
79I96.2Very high96.3Very high88 Ų8889 Ų8945%0.45143%0.432SS..Hα-helixtrans-64.3-45.1174.9-69.2165.5000110.7R75 R76 A77 D81 K82 M83R75-I79 HydrophobicContact CG-CD1 4.18Å; R75-I79 VanDerWaalsContact O-CG1 3.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.45Å; R75-I79 PolarHBondContact O-N 3.23Å; R76-I79 PolarHBondContact O-N 3.25Å; A77-I79 VanDerWaalsContact C-N 3.3Å; A77-I79 PolarHBondContact O-N 3.49Å; I79-D81 VanDerWaalsContact C-N 3.33Å; I79-D81 PolarHBondContact O-N 3.03Å; I79-K82 PolarHBondContact O-N 2.96Å; I79-M83 WeakPolarHBondContact O-CB 3.49Å; I79-M83 PolarHBondContact O-N 3.35Å
80S94Very high96.1Very high27 Ų2783.8 Ų83.819%0.18941%0.407CS..Hα-helixtrans-63.4-40178.5-161.60000111.7R76 A77 M83 N84 K106R76-S80 PolarHBondContact O-N 3.43Å; A77-S80 WeakPolarHBondContact O-CB 3.4Å; A77-S80 PolarHBondContact O-N 2.97Å; S80-M83 PolarHBondContact O-N 3.18Å; S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.26Å; S80-N84 PolarHBondContact O-N 3.14Å; S80-N84 PolarHBondContact O-ND2 3.12Å; S80-K106 PolarHBondContact OG-NZ 3.21Å
81D95.7Very high95.9Very high103 Ų10380.3 Ų80.355%0.55139%0.389SS*.Hα-helixtrans-63-44.8178.1-62.3-23.7000111.1A77 C78 I79 N84 A85A77-D81 VanDerWaalsContact O-CG 3.23Å; A77-D81 PolarHBondContact O-N 3.38Å; C78-D81 PolarHBondContact O-N 3.25Å; I79-D81 VanDerWaalsContact C-N 3.33Å; I79-D81 PolarHBondContact O-N 3.03Å; D81-N84 PolarHBondContact O-N 3.31Å; D81-A85 WeakPolarHBondContact O-CB 3.31Å; D81-A85 PolarHBondContact O-N 3.12Å
82K96.1Very high95.8Very high148 Ų14879.6 Ų79.664%0.64339%0.387SS*.Hα-helixtrans-65.3-39.9176.8-73.1-177.9178.1-171.10112.8C78 I79 A85 L86C78-K82 WeakPolarHBondContact O-CG 3.39Å; C78-K82 PolarHBondContact O-N 3.44Å; C78-K82 VanDerWaalsContact O-N 3.1Å; I79-K82 PolarHBondContact O-N 2.96Å; K82-A85 PolarHBondContact O-N 3.31Å; K82-L86 WeakPolarHBondContact O-CB 3.45Å; K82-L86 PolarHBondContact O-N 3.3Å
83M94Very high95.6Very high29 Ų2981.3 Ų81.314%0.14340%0.398CS..Hα-helixtrans-64-42.4177.1-174-174.767.800111.2I79 S80 L86 H87 K106 I109 L110I79-M83 WeakPolarHBondContact O-CB 3.49Å; I79-M83 PolarHBondContact O-N 3.35Å; S80-M83 PolarHBondContact O-N 3.18Å; M83-L86 PolarHBondContact O-N 3.31Å; M83-H87 PolarHBondContact O-N 2.91Å; M83-K106 HydrophobicContact CE-CB 4.15Å; M83-K106 HydrophobicContact CE-CD 4.07Å; M83-K106 HydrophobicContact CE-CG 4.01Å; M83-I109 HydrophobicContact CE-CD1 3.81Å; M83-I109 HydrophobicContact CG-CB 4.41Å; M83-I109 HydrophobicContact CG-CG2 3.73Å; M83-I109 HydrophobicContact SD-CB 4.47Å; M83-I109 HydrophobicContact SD-CG2 4.41Å; M83-L110 HydrophobicContact CG-CD2 4.23Å
84N92.7Very high95.3Very high66 Ų6676.5 Ų76.535%0.35339%0.385SS..Hα-helixtrans-67.7-39.1175.7-70.6-13.7000112.2S80 D81 L86 H87 N88S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.26Å; S80-N84 PolarHBondContact O-N 3.14Å; S80-N84 PolarHBondContact O-ND2 3.12Å; D81-N84 PolarHBondContact O-N 3.31Å; N84-L86 VanDerWaalsContact C-N 3.32Å; N84-L86 PolarHBondContact O-N 3.4Å; N84-H87 WeakPolarHBondContact O-CB 3.44Å; N84-H87 PolarHBondContact O-N 2.92Å; N84-N88 VanDerWaalsContact O-CG 3.32Å; N84-N88 PolarHBondContact O-N 2.84Å
85A94.5Very high95.1Very high60 Ų6072 Ų7250%0.49639%0.389SS..Hα-helixtrans-62.2-40.5174.800000111.8D81 K82 N88 L89D81-A85 WeakPolarHBondContact O-CB 3.31Å; D81-A85 PolarHBondContact O-N 3.12Å; K82-A85 PolarHBondContact O-N 3.31Å; A85-N88 PolarHBondContact O-N 3.26Å; A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 3.01Å
86L95Very high94.8Very high62 Ų6269 Ų6933%0.32538%0.382SS..Hα-helixtrans-64.2-42.3175.2-172.268.2000111.7K82 M83 N84 L89 A90 C113 F117K82-L86 WeakPolarHBondContact O-CB 3.45Å; K82-L86 PolarHBondContact O-N 3.3Å; M83-L86 PolarHBondContact O-N 3.31Å; N84-L86 VanDerWaalsContact C-N 3.32Å; N84-L86 PolarHBondContact O-N 3.4Å; L86-L89 PolarHBondContact O-N 3.45Å; L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 3.49Å; L86-C113 HydrophobicContact CD2-CB 4.13Å; L86-C113 HydrophobicContact CG-CB 4.27Å; L86-F117 HydrophobicContact CD1-CE2 3.82Å; L86-F117 HydrophobicContact CD1-CZ 3.82Å; L86-F117 HydrophobicContact CG-CE2 4.3Å
87H93.7Very high94.4Very high15 Ų1565 Ų657%0.06937%0.373CS..Hα-helixtrans-59.1-50.6175.5179.4-100000112M83 N84 L89 A90 M91 I109M83-H87 PolarHBondContact O-N 2.91Å; N84-H87 WeakPolarHBondContact O-CB 3.44Å; N84-H87 PolarHBondContact O-N 2.92Å; H87-L89 VanDerWaalsContact C-N 3.31Å; H87-L89 PolarHBondContact O-N 2.67Å; H87-A90 PolarHBondContact O-N 3.47Å; H87-A90 VanDerWaalsContact O-N 3.15Å; H87-M91 VanDerWaalsContact O-CG 3.31Å; H87-M91 WeakPolarHBondContact O-CG 3.48Å; H87-M91 PolarHBondContact O-N 3.23Å; H87-I109 HydrophobicContact CB-CG2 3.74Å
88N93.8Very high93.9Very high70 Ų7064.1 Ų64.137%0.37436%0.363SS..Hα-helixtrans-60.5-43.7179.1-66.8-9.9000110.9N84 A85 A90 M91 D92N84-N88 VanDerWaalsContact O-CG 3.32Å; N84-N88 PolarHBondContact O-N 2.84Å; A85-N88 PolarHBondContact O-N 3.26Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.09Å; N88-M91 PolarHBondContact O-N 3.15Å; N88-D92 WeakPolarHBondContact O-CB 3.08Å; N88-D92 PolarHBondContact O-N 2.98Å
89L95.6Very high93.2Very high90 Ų9068.6 Ų68.647%0.47138%0.383SS..Hα-helixtrans-58.9-43.9174.8178.964000112.2A85 L86 H87 D92 L93A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 3.01Å; L86-L89 PolarHBondContact O-N 3.45Å; H87-L89 VanDerWaalsContact C-N 3.31Å; H87-L89 PolarHBondContact O-N 2.67Å; L89-D92 PolarHBondContact O-N 3.47Å; L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 VanDerWaalsContact O-CG 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.05Å; L89-L93 PolarHBondContact O-N 2.85Å
90A95.1Very high92.5Very high0 Ų071.7 Ų71.70%039%0.393CS..Hα-helixtrans-64.2-40.817800000111.9L86 H87 N88 L93 I94 C113 V116L86-A90 WeakPolarHBondContact O-CB 3.42Å; L86-A90 PolarHBondContact O-N 3.49Å; H87-A90 PolarHBondContact O-N 3.47Å; H87-A90 VanDerWaalsContact O-N 3.15Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.09Å; A90-L93 PolarHBondContact O-N 2.92Å; A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.39Å; A90-C113 HydrophobicContact CB-CB 4.41Å; A90-V116 HydrophobicContact CB-CB 4.23Å; A90-V116 HydrophobicContact CB-CG1 4.19Å; A90-V116 HydrophobicContact CB-CG2 4.32Å
91M94Very high91.5Very high1 Ų172.1 Ų72.11%0.00540%0.396CS..Hα-helixtrans-66.8-42.9177-66.6-56.998.600111.9H87 N88 L93 I94 G95 I96 P98 C101 L112 V116H87-M91 VanDerWaalsContact O-CG 3.31Å; H87-M91 WeakPolarHBondContact O-CG 3.48Å; H87-M91 PolarHBondContact O-N 3.23Å; N88-M91 PolarHBondContact O-N 3.15Å; M91-L93 VanDerWaalsContact C-N 3.3Å; M91-L93 PolarHBondContact O-N 3.41Å; M91-I94 HydrophobicContact CE-CD1 3.79Å; M91-I94 WeakPolarHBondContact O-CG1 3.41Å; M91-I94 PolarHBondContact O-N 3.02Å; M91-I94 HydrophobicContact SD-CD1 4.13Å; M91-G95 PolarHBondContact O-N 3.4Å; M91-G95 VanDerWaalsContact O-N 3.09Å; M91-I96 CarbonylContact C-O 3.42Å; M91-I96 WeakPolarHBondContact CB-O 3.32Å; M91-I96 PolarHBondContact O-N 3.02Å; M91-I96 HydrophobicContact SD-CG2 4.47Å; M91-P98 HydrophobicContact CB-CB 4.26Å; M91-P98 HydrophobicContact CG-CB 4.22Å; M91-C101 HydrophobicContact SD-CB 4.47Å; M91-L112 HydrophobicContact CE-CD1 4.09Å; M91-L112 HydrophobicContact CE-CD2 3.41Å; M91-L112 VanDerWaalsContact CE-CD2 3.41Å; M91-L112 HydrophobicContact CE-CG 3.59Å; M91-L112 HydrophobicContact SD-CD2 4.12Å; M91-V116 HydrophobicContact CE-CG2 4.33Å
92D94.3Very high90Very high107 Ų10774.5 Ų74.557%0.57240%0.403SS*.Hα-helixtrans-60.8-39.5175.9-68.3-18.2000111.4N88 L89 I94 G95N88-D92 WeakPolarHBondContact O-CB 3.08Å; N88-D92 PolarHBondContact O-N 2.98Å; L89-D92 PolarHBondContact O-N 3.47Å; D92-I94 VanDerWaalsContact C-N 3.31Å; D92-I94 PolarHBondContact O-N 3.3Å; D92-G95 PolarHBondContact O-N 3.38Å; D92-G95 VanDerWaalsContact O-N 3.13Å
93L94.4Very high89Confident93 Ų9376 Ų7649%0.48741%0.41SS..Hα-helixtrans-63.1-33.4179-77.4169.3000113.5L89 A90 M91 F117 I120L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 VanDerWaalsContact O-CG 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.05Å; L89-L93 PolarHBondContact O-N 2.85Å; A90-L93 PolarHBondContact O-N 2.92Å; M91-L93 VanDerWaalsContact C-N 3.3Å; M91-L93 PolarHBondContact O-N 3.41Å; L93-F117 HydrophobicContact CD1-CE1 3.82Å; L93-I120 HydrophobicContact CB-CD1 4.22Å; L93-I120 HydrophobicContact CD1-CD1 3.83Å; L93-I120 HydrophobicContact CG-CD1 4.45Å
94I93.5Very high88.3Confident75 Ų7576.6 Ų76.639%0.38542%0.415SS..THydrogen-bonded Turntrans-93.5-0.2177.360.8179000112.7A90 M91 D92 I96 V116A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.39Å; M91-I94 HydrophobicContact CE-CD1 3.79Å; M91-I94 WeakPolarHBondContact O-CG1 3.41Å; M91-I94 PolarHBondContact O-N 3.02Å; M91-I94 HydrophobicContact SD-CD1 4.13Å; D92-I94 VanDerWaalsContact C-N 3.31Å; D92-I94 PolarHBondContact O-N 3.3Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 HydrophobicContact CD1-CB 4.13Å; I94-I96 HydrophobicContact CD1-CD1 3.47Å; I94-I96 VanDerWaalsContact CD1-CD1 3.47Å; I94-I96 HydrophobicContact CD1-CG1 3.86Å; I94-I96 HydrophobicContact CG1-CB 3.99Å; I94-I96 HydrophobicContact CG1-CD1 3.98Å; I94-I96 HydrophobicContact CG1-CG1 3.79Å; I94-I96 PolarHBondContact O-N 2.91Å; I94-V116 HydrophobicContact CD1-CG2 4.03Å; I94-V116 HydrophobicContact CG2-CB 4.47Å; I94-V116 HydrophobicContact CG2-CG1 3.74Å; I94-V116 HydrophobicContact CG2-CG2 4Å
95G94Very high87.8Confident68 Ų6879.8 Ų79.870%0.70143%0.428SS*.THydrogen-bonded Turntrans69.326.7-179.200000113.9M91 D92M91-G95 PolarHBondContact O-N 3.4Å; M91-G95 VanDerWaalsContact O-N 3.09Å; D92-G95 PolarHBondContact O-N 3.38Å; D92-G95 VanDerWaalsContact O-N 3.13Å
96I91.6Very high87.2Confident73 Ų7383.3 Ų83.337%0.37443%0.432SS..  trans-101.9133.4176-61.8-177000108.8M91 I94 C101M91-I96 CarbonylContact C-O 3.42Å; M91-I96 WeakPolarHBondContact CB-O 3.32Å; M91-I96 PolarHBondContact O-N 3.02Å; M91-I96 HydrophobicContact SD-CG2 4.47Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 HydrophobicContact CD1-CB 4.13Å; I94-I96 HydrophobicContact CD1-CD1 3.47Å; I94-I96 VanDerWaalsContact CD1-CD1 3.47Å; I94-I96 HydrophobicContact CD1-CG1 3.86Å; I94-I96 HydrophobicContact CG1-CB 3.99Å; I94-I96 HydrophobicContact CG1-CD1 3.98Å; I94-I96 HydrophobicContact CG1-CG1 3.79Å; I94-I96 PolarHBondContact O-N 2.91Å; I96-C101 VanDerWaalsContact CG2-SG 3.55Å
97D88.8Confident86.7Confident81 Ų8183.6 Ų83.643%0.43344%0.443SS..  trans-68.6126.5174.2-63.2-52.3000109.9N99 K100 C101D97-N99 PolarHBondContact O-N 3.03Å; D97-K100 HydrophobicContact CB-CB 4.28Å; D97-K100 HydrophobicContact CB-CD 3.89Å; D97-K100 HydrophobicContact CB-CG 3.91Å; D97-K100 WeakPolarHBondContact O-CB 3.39Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 WeakPolarHBondContact OD2-CD 3.4Å; D97-K100 WeakPolarHBondContact OD2-CE 3.46Å; D97-K100 IonicContact OD2-NZ 2.76Å; D97-K100 PolarHBondContact OD2-NZ 3.27Å; D97-C101 PolarHBondContact O-N 3.33Å
98P85.8Confident86.5Confident31 Ų3186.4 Ų86.420%0.20146%0.459CS..THydrogen-bonded Turntrans-60.6-24.9179.223.4-33.4000112.4M91 K100 C101M91-P98 HydrophobicContact CB-CB 4.26Å; M91-P98 HydrophobicContact CG-CB 4.22Å; P98-K100 VanDerWaalsContact C-N 3.32Å; P98-C101 PolarHBondContact O-N 3.27Å
99N84.2Confident86.4Confident153 Ų15383.5 Ų83.582%0.81844%0.443SS*.THydrogen-bonded Turntrans-73.2-22.2176-61.8-39.2000113.3D97D97-N99 PolarHBondContact O-N 3.03Å
100K81.2Confident86.3Confident154 Ų15484 Ų8467%0.6745%0.446SS*.THydrogen-bonded Turntrans-80.7-28175.6-71.8175.8179.5157.10111.6D97 P98 H102D97-K100 HydrophobicContact CB-CB 4.28Å; D97-K100 HydrophobicContact CB-CD 3.89Å; D97-K100 HydrophobicContact CB-CG 3.91Å; D97-K100 WeakPolarHBondContact O-CB 3.39Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 WeakPolarHBondContact OD2-CD 3.4Å; D97-K100 WeakPolarHBondContact OD2-CE 3.46Å; D97-K100 IonicContact OD2-NZ 2.76Å; D97-K100 PolarHBondContact OD2-NZ 3.27Å; P98-K100 VanDerWaalsContact C-N 3.32Å; K100-H102 VanDerWaalsContact C-N 3.28Å; K100-H102 PolarHBondContact O-N 3.32Å
101C72.7Confident86.2Confident36 Ų3688.4 Ų88.424%0.24347%0.469CS..SBendtrans-7383.6170.9-65.30000109.4M91 I96 D97 P98 K103 V104M91-C101 HydrophobicContact SD-CB 4.47Å; I96-C101 VanDerWaalsContact CG2-SG 3.55Å; D97-C101 PolarHBondContact O-N 3.33Å; P98-C101 PolarHBondContact O-N 3.27Å; C101-K103 PolarHBondContact O-N 3.49Å; C101-V104 HydrophobicContact CB-CG2 4.12Å
102H65.2Low86.1Confident152 Ų15291 Ų9170%0.70448%0.483SS*.THydrogen-bonded Turntrans-55.5128.9-177.4-160.661.2000111.3K100 V104K100-H102 VanDerWaalsContact C-N 3.28Å; K100-H102 PolarHBondContact O-N 3.32Å; H102-V104 VanDerWaalsContact C-N 3.27Å; H102-V104 PolarHBondContact O-N 3.34Å
103K75.3Confident86.2Confident180 Ų18086 Ų8678%0.78346%0.456SS*.THydrogen-bonded Turntrans29.755.1166.5-65.2-176.9178.7177.60115.1C101 E105C101-K103 PolarHBondContact O-N 3.49Å; K103-E105 PolarHBondContact O-N 3.4Å
104V78.3Confident86.2Confident42 Ų4287.2 Ų87.226%0.25546%0.459SS..  trans-58.4124.9171.6-177.30000107.6C101 H102 D108 I109C101-V104 HydrophobicContact CB-CG2 4.12Å; H102-V104 VanDerWaalsContact C-N 3.27Å; H102-V104 PolarHBondContact O-N 3.34Å; V104-D108 HydrophobicContact CG1-CB 3.59Å; V104-I109 HydrophobicContact CB-CG1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.88Å
105E83.5Confident86.3Confident132 Ų13287.2 Ų87.262%0.61747%0.466SS*.  trans-60.6146.5177.4-65.9-164.416800109K103 A107 D108 I109K103-E105 PolarHBondContact O-N 3.4Å; E105-A107 PolarHBondContact O-N 3.35Å; E105-D108 PolarHBondContact O-N 3.34Å; E105-I109 PolarHBondContact O-N 3.37Å
106K81Confident86.4Confident135 Ų13584.6 Ų84.659%0.58744%0.437SS*.Hα-helixtrans-56.2-27179.3-70.6-166.3176.9-164.10112.5S80 M83S80-K106 PolarHBondContact OG-NZ 3.21Å; M83-K106 HydrophobicContact CE-CB 4.15Å; M83-K106 HydrophobicContact CE-CD 4.07Å; M83-K106 HydrophobicContact CE-CG 4.01Å
107A83.8Confident86.7Confident67 Ų6784.5 Ų84.555%0.55443%0.434SS*.Hα-helixtrans-67.6-34.6174.900000112.6E105E105-A107 PolarHBondContact O-N 3.35Å
108D90.9Very high87.1Confident74 Ų7485.7 Ų85.740%0.39644%0.436SS..Hα-helixtrans-84.6-23.5-175.1-63.1-30.9000113.1V104 E105 L110 N111 L112V104-D108 HydrophobicContact CG1-CB 3.59Å; E105-D108 PolarHBondContact O-N 3.34Å; D108-L110 VanDerWaalsContact C-N 3.26Å; D108-L110 PolarHBondContact O-N 2.88Å; D108-N111 PolarHBondContact O-N 3.37Å; D108-N111 VanDerWaalsContact O-N 3.13Å; D108-L112 WeakPolarHBondContact O-CB 3.47Å; D108-L112 PolarHBondContact O-N 3.07Å
109I92Very high87.6Confident10 Ų1085.5 Ų85.55%0.05144%0.44CS..Hα-helixtrans-53.1-45.3-179.2-70.2174.2000111.5M83 H87 V104 E105 C113M83-I109 HydrophobicContact CE-CD1 3.81Å; M83-I109 HydrophobicContact CG-CB 4.41Å; M83-I109 HydrophobicContact CG-CG2 3.73Å; M83-I109 HydrophobicContact SD-CB 4.47Å; M83-I109 HydrophobicContact SD-CG2 4.41Å; H87-I109 HydrophobicContact CB-CG2 3.74Å; V104-I109 HydrophobicContact CB-CG1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.88Å; E105-I109 PolarHBondContact O-N 3.37Å; I109-C113 WeakPolarHBondContact O-CB 3.41Å; I109-C113 PolarHBondContact O-N 2.97Å; I109-C113 PolarHBondContact O-SG 3.41Å
110L92.8Very high88.1Confident100 Ų10080.2 Ų80.252%0.52441%0.412SS..Hα-helixtrans-69.5-40.7-178.5-68178.2000111.9M83 D108 C113 Q114M83-L110 HydrophobicContact CG-CD2 4.23Å; D108-L110 VanDerWaalsContact C-N 3.26Å; D108-L110 PolarHBondContact O-N 2.88Å; L110-C113 PolarHBondContact O-N 3.48Å; L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 PolarHBondContact O-N 3.47Å
111N93.1Very high88.7Confident92 Ų9276.3 Ų76.349%0.49240%0.401SS..Hα-helixtrans-62.7-44.2176.4-67.4-30.5000110.8D108 Q114 S115D108-N111 PolarHBondContact O-N 3.37Å; D108-N111 VanDerWaalsContact O-N 3.13Å; N111-Q114 WeakPolarHBondContact O-CB 3.47Å; N111-Q114 PolarHBondContact O-N 2.97Å; N111-S115 PolarHBondContact O-N 3.4Å; N111-S115 PolarHBondContact O-OG 3.48Å; N111-S115 VanDerWaalsContact O-OG 3.13Å
112L92.5Very high89.9Confident55 Ų5577.9 Ų77.929%0.28841%0.407SS..Hα-helixtrans-62.2-47.1177.3-178.558.8000111.8M91 D108 Q114 S115 V116M91-L112 HydrophobicContact CE-CD1 4.09Å; M91-L112 HydrophobicContact CE-CD2 3.41Å; M91-L112 VanDerWaalsContact CE-CD2 3.41Å; M91-L112 HydrophobicContact CE-CG 3.59Å; M91-L112 HydrophobicContact SD-CD2 4.12Å; D108-L112 WeakPolarHBondContact O-CB 3.47Å; D108-L112 PolarHBondContact O-N 3.07Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-N 2.97Å; L112-V116 WeakPolarHBondContact O-CG2 3.45Å; L112-V116 PolarHBondContact O-N 2.96Å
113C95.1Very high91.3Very high2 Ų275 Ų751%0.01440%0.395CS..Hα-helixtrans-58.6-44.3175.2-67.20000111L86 A90 I109 L110 V116 F117L86-C113 HydrophobicContact CD2-CB 4.13Å; L86-C113 HydrophobicContact CG-CB 4.27Å; A90-C113 HydrophobicContact CB-CB 4.41Å; I109-C113 WeakPolarHBondContact O-CB 3.41Å; I109-C113 PolarHBondContact O-N 2.97Å; I109-C113 PolarHBondContact O-SG 3.41Å; L110-C113 PolarHBondContact O-N 3.48Å; C113-V116 PolarHBondContact O-N 2.94Å; C113-F117 HydrophobicContact CB-CD2 4.49Å; C113-F117 HydrophobicContact CB-CE2 4.12Å; C113-F117 WeakPolarHBondContact O-CD2 3.45Å; C113-F117 WeakPolarHBondContact O-CG 3.39Å; C113-F117 PolarHBondContact O-N 3.47Å
114Q95.1Very high92.3Very high119 Ų11966.8 Ų66.856%0.55636%0.361SS*.Hα-helixtrans-59-48.6176.6179.7179.9-14.100111.4L110 N111 L112 V116 F117 E118L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 PolarHBondContact O-N 3.47Å; N111-Q114 WeakPolarHBondContact O-CB 3.47Å; N111-Q114 PolarHBondContact O-N 2.97Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 3.39Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.42Å; Q114-F117 PolarHBondContact O-N 2.9Å; Q114-E118 WeakPolarHBondContact O-CB 3.35Å; Q114-E118 PolarHBondContact O-N 3.4Å
115S95.7Very high93.1Very high75 Ų7571.3 Ų71.352%0.52438%0.378SS..Hα-helixtrans-60.2-39.5178.8-60.50000112.7N111 L112 G119N111-S115 PolarHBondContact O-N 3.4Å; N111-S115 PolarHBondContact O-OG 3.48Å; N111-S115 VanDerWaalsContact O-OG 3.13Å; L112-S115 PolarHBondContact O-N 2.97Å; S115-G119 PolarHBondContact O-N 3.38Å
116V96.2Very high93.7Very high14 Ų1471.5 Ų71.59%0.08538%0.383CS..Hα-helixtrans-63-49.2175.4170.10000111.1A90 M91 I94 L112 C113 Q114 E118 G119 I120A90-V116 HydrophobicContact CB-CB 4.23Å; A90-V116 HydrophobicContact CB-CG1 4.19Å; A90-V116 HydrophobicContact CB-CG2 4.32Å; M91-V116 HydrophobicContact CE-CG2 4.33Å; I94-V116 HydrophobicContact CD1-CG2 4.03Å; I94-V116 HydrophobicContact CG2-CB 4.47Å; I94-V116 HydrophobicContact CG2-CG1 3.74Å; I94-V116 HydrophobicContact CG2-CG2 4Å; L112-V116 WeakPolarHBondContact O-CG2 3.45Å; L112-V116 PolarHBondContact O-N 2.96Å; C113-V116 PolarHBondContact O-N 2.94Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 3.42Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 3.09Å; V116-G119 PolarHBondContact O-N 3.4Å; V116-I120 HydrophobicContact CG1-CD1 3.98Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.62Å
117F96.7Very high94.4Very high71 Ų7169.7 Ų69.731%0.31138%0.377SS..Hα-helixtrans-67.6-33.9-179.6-64.8-50.8000112.8L86 L93 C113 Q114 I120 T121L86-F117 HydrophobicContact CD1-CE2 3.82Å; L86-F117 HydrophobicContact CD1-CZ 3.82Å; L86-F117 HydrophobicContact CG-CE2 4.3Å; L93-F117 HydrophobicContact CD1-CE1 3.82Å; C113-F117 HydrophobicContact CB-CD2 4.49Å; C113-F117 HydrophobicContact CB-CE2 4.12Å; C113-F117 WeakPolarHBondContact O-CD2 3.45Å; C113-F117 WeakPolarHBondContact O-CG 3.39Å; C113-F117 PolarHBondContact O-N 3.47Å; Q114-F117 PolarHBondContact O-N 2.9Å; F117-I120 HydrophobicContact CD1-CD1 4.38Å; F117-I120 PolarHBondContact O-N 3.47Å; F117-T121 WeakPolarHBondContact O-CB 3.48Å; F117-T121 PolarHBondContact O-N 2.87Å; F117-T121 PolarHBondContact O-OG1 3.36Å
118E97Very high94.9Very high105 Ų10570.7 Ų70.749%0.49138%0.377SS..Hα-helixtrans-64.3-44.7172.4-174.4171.1-175.300111.2Q114 V116 I120 T121 N122Q114-E118 WeakPolarHBondContact O-CB 3.35Å; Q114-E118 PolarHBondContact O-N 3.4Å; V116-E118 VanDerWaalsContact C-N 3.33Å; V116-E118 PolarHBondContact O-N 3.09Å; E118-I120 PolarHBondContact O-N 3.18Å; E118-T121 WeakPolarHBondContact O-CB 3.5Å; E118-T121 PolarHBondContact O-N 2.7Å; E118-T121 VanDerWaalsContact O-N 3.14Å; E118-N122 VanDerWaalsContact O-CG 3.32Å; E118-N122 PolarHBondContact O-N 3.03Å; E118-N122 PolarHBondContact O-ND2 2.82Å
119G96.5Very high95.1Very high28 Ų2874.7 Ų74.729%0.28939%0.391SS..Hα-helixtrans-57.1-48.1173.400000112.7S115 V116 T121 N122 I123S115-G119 PolarHBondContact O-N 3.38Å; V116-G119 PolarHBondContact O-N 3.4Å; G119-T121 VanDerWaalsContact C-N 3.28Å; G119-T121 PolarHBondContact O-N 3.21Å; G119-N122 PolarHBondContact O-N 2.9Å; G119-I123 WeakPolarHBondContact O-CG1 3.47Å; G119-I123 PolarHBondContact O-N 2.77Å
120I95.5Very high95.2Very high41 Ų4176.9 Ų76.921%0.2140%0.4CS..Hα-helixtrans-60.6-40.1175.6-65.7167.1000111L93 V116 F117 E118 N122 I123 A124 F130L93-I120 HydrophobicContact CB-CD1 4.22Å; L93-I120 HydrophobicContact CD1-CD1 3.83Å; L93-I120 HydrophobicContact CG-CD1 4.45Å; V116-I120 HydrophobicContact CG1-CD1 3.98Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.62Å; F117-I120 HydrophobicContact CD1-CD1 4.38Å; F117-I120 PolarHBondContact O-N 3.47Å; E118-I120 PolarHBondContact O-N 3.18Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.5Å; I120-I123 PolarHBondContact O-N 3.48Å; I120-A124 WeakPolarHBondContact O-CB 3.42Å; I120-A124 PolarHBondContact O-N 2.96Å; I120-F130 HydrophobicContact CG2-CE1 4.2Å; I120-F130 HydrophobicContact CG2-CZ 4.42Å
121T94.9Very high95.2Very high73 Ų7377.1 Ų77.145%0.44840%0.399SS..Hα-helixtrans-64.4-38.6178-600000111.5F117 E118 G119 A124 K125F117-T121 WeakPolarHBondContact O-CB 3.48Å; F117-T121 PolarHBondContact O-N 2.87Å; F117-T121 PolarHBondContact O-OG1 3.36Å; E118-T121 WeakPolarHBondContact O-CB 3.5Å; E118-T121 PolarHBondContact O-N 2.7Å; E118-T121 VanDerWaalsContact O-N 3.14Å; G119-T121 VanDerWaalsContact C-N 3.28Å; G119-T121 PolarHBondContact O-N 3.21Å; T121-A124 PolarHBondContact O-N 2.98Å; T121-K125 WeakPolarHBondContact O-CG 3.47Å; T121-K125 PolarHBondContact O-N 3.4Å; T121-K125 VanDerWaalsContact O-N 3.17Å
122N96.5Very high95.3Very high68 Ų6876.9 Ų76.936%0.36440%0.395SS..Hα-helixtrans-69.7-45.2177-67.5-23.4000111.3E118 G119 I120 A124 K125 D126E118-N122 VanDerWaalsContact O-CG 3.32Å; E118-N122 PolarHBondContact O-N 3.03Å; E118-N122 PolarHBondContact O-ND2 2.82Å; G119-N122 PolarHBondContact O-N 2.9Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.5Å; N122-A124 PolarHBondContact O-N 3.02Å; N122-K125 WeakPolarHBondContact O-CB 3.42Å; N122-K125 PolarHBondContact O-N 3.26Å; N122-D126 PolarHBondContact O-N 3.33Å; N122-D126 VanDerWaalsContact O-N 3.09Å
123I95.7Very high95.4Very high91 Ų9182.9 Ų82.947%0.46741%0.414SS..Hα-helixtrans-56.4-41.6173.1-65.5165000111G119 I120 K125 D126 E127 F130G119-I123 WeakPolarHBondContact O-CG1 3.47Å; G119-I123 PolarHBondContact O-N 2.77Å; I120-I123 PolarHBondContact O-N 3.48Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.02Å; I123-D126 PolarHBondContact O-N 3.4Å; I123-E127 PolarHBondContact O-N 3.1Å; I123-F130 HydrophobicContact CG2-CD1 4.1Å; I123-F130 HydrophobicContact CG2-CE1 4.31Å
124A95.1Very high95.3Very high8 Ų886 Ų867%0.06643%0.43CS..Hα-helixtrans-68.7-21.1177.300000114.3I120 T121 N122 F130 Q131 L134I120-A124 WeakPolarHBondContact O-CB 3.42Å; I120-A124 PolarHBondContact O-N 2.96Å; T121-A124 PolarHBondContact O-N 2.98Å; N122-A124 PolarHBondContact O-N 3.02Å; A124-F130 HydrophobicContact CB-CD1 3.85Å; A124-F130 HydrophobicContact CB-CE1 4.07Å; A124-Q131 VanDerWaalsContact O-CB 3.31Å; A124-Q131 WeakPolarHBondContact O-CB 3.46Å; A124-L134 HydrophobicContact CB-CD1 3.79Å
125K95.2Very high95.2Very high137 Ų13786.9 Ų86.960%0.59643%0.428SS*.Hα-helixtrans-79.6-38.1172-71.6169.1-176.6168.10111.3T121 N122 I123T121-K125 WeakPolarHBondContact O-CG 3.47Å; T121-K125 PolarHBondContact O-N 3.4Å; T121-K125 VanDerWaalsContact O-N 3.17Å; N122-K125 WeakPolarHBondContact O-CB 3.42Å; N122-K125 PolarHBondContact O-N 3.26Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.02Å
126D96.5Very high95Very high136 Ų13688.7 Ų88.773%0.72743%0.426SS*.Hα-helixtrans-76.5-31.7-177.8-61.2-22.1000111.8N122 I123 P128N122-D126 PolarHBondContact O-N 3.33Å; N122-D126 VanDerWaalsContact O-N 3.09Å; I123-D126 PolarHBondContact O-N 3.4Å; D126-P128 WeakPolarHBondContact O-CD 3.37Å
127E95.9Very high94.8Very high98 Ų9892.4 Ų92.446%0.45845%0.445SS..  trans-113.995.5179.1-166.2-175.7165.200112.4I123 K129 F130 Q131I123-E127 PolarHBondContact O-N 3.1Å; E127-K129 VanDerWaalsContact C-N 3.25Å; E127-K129 HydrophobicContact CG-CB 4.44Å; E127-K129 PolarHBondContact O-N 3Å; E127-F130 HydrophobicContact CB-CB 4.04Å; E127-F130 HydrophobicContact CG-CB 4.01Å; E127-F130 WeakPolarHBondContact O-CB 3.42Å; E127-F130 PolarHBondContact O-N 2.55Å; E127-F130 VanDerWaalsContact O-N 3.08Å; E127-Q131 PolarHBondContact O-N 3.22Å; E127-Q131 VanDerWaalsContact O-N 3.09Å
128P93.3Very high94.5Very high87 Ų8797.3 Ų97.357%0.56546%0.462SS*.Hα-helixtrans-65.2-27.7-176.424.9-34.4000113.1D126 Q131 E132D126-P128 WeakPolarHBondContact O-CD 3.37Å; P128-Q131 WeakPolarHBondContact O-CB 3.5Å; P128-Q131 PolarHBondContact O-N 3.29Å; P128-E132 PolarHBondContact O-N 3.38Å
129K95Very high94Very high159 Ų15998.2 Ų98.269%0.69146%0.461SS*.Hα-helixtrans-63.7-42174.5-69.5-177179.9176.90111.3E127 E132 R133E127-K129 VanDerWaalsContact C-N 3.25Å; E127-K129 HydrophobicContact CG-CB 4.44Å; E127-K129 PolarHBondContact O-N 3Å; K129-E132 PolarHBondContact O-N 3.31Å; K129-R133 WeakPolarHBondContact O-CG 3.36Å; K129-R133 PolarHBondContact O-N 3.02Å
130F94.7Very high93.6Very high56 Ų56101.2 Ų101.225%0.24647%0.471CS..Hα-helixtrans-67.1-40.9175.1179.9-116.8000111.1I120 I123 A124 E127 E132 R133 L134I120-F130 HydrophobicContact CG2-CE1 4.2Å; I120-F130 HydrophobicContact CG2-CZ 4.42Å; I123-F130 HydrophobicContact CG2-CD1 4.1Å; I123-F130 HydrophobicContact CG2-CE1 4.31Å; A124-F130 HydrophobicContact CB-CD1 3.85Å; A124-F130 HydrophobicContact CB-CE1 4.07Å; E127-F130 HydrophobicContact CB-CB 4.04Å; E127-F130 HydrophobicContact CG-CB 4.01Å; E127-F130 WeakPolarHBondContact O-CB 3.42Å; E127-F130 PolarHBondContact O-N 2.55Å; E127-F130 VanDerWaalsContact O-N 3.08Å; F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 2.72Å; F130-R133 WeakPolarHBondContact O-CB 3.33Å; F130-R133 PolarHBondContact O-N 3.07Å; F130-R133 VanDerWaalsContact O-N 3.13Å; F130-L134 HydrophobicContact CD1-CD1 4.05Å; F130-L134 HydrophobicContact CE1-CD1 3.57Å; F130-L134 HydrophobicContact CE1-CG 4.17Å; F130-L134 HydrophobicContact CE2-CG 4.39Å; F130-L134 HydrophobicContact CZ-CD1 3.9Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 4.06Å; F130-L134 PolarHBondContact O-N 3.45Å
131Q94.2Very high92.9Very high105 Ų105104.4 Ų104.449%0.49149%0.488SS..Hα-helixtrans-57-43.2173.5-154.8-175.410.300112.8A124 E127 P128 R133 L134 R135A124-Q131 VanDerWaalsContact O-CB 3.31Å; A124-Q131 WeakPolarHBondContact O-CB 3.46Å; E127-Q131 PolarHBondContact O-N 3.22Å; E127-Q131 VanDerWaalsContact O-N 3.09Å; P128-Q131 WeakPolarHBondContact O-CB 3.5Å; P128-Q131 PolarHBondContact O-N 3.29Å; Q131-R133 VanDerWaalsContact C-N 3.32Å; Q131-R133 PolarHBondContact O-N 3.5Å; Q131-L134 PolarHBondContact O-N 3.09Å; Q131-R135 WeakPolarHBondContact O-CB 3.44Å; Q131-R135 PolarHBondContact O-N 3.19Å
132E93.9Very high92.1Very high86 Ų86106.6 Ų106.640%0.40250%0.497SS..Hα-helixtrans-63.7-39177.5-164.1-165.8150.400111.5P128 K129 F130 R135 K136P128-E132 PolarHBondContact O-N 3.38Å; K129-E132 PolarHBondContact O-N 3.31Å; F130-E132 VanDerWaalsContact C-N 3.32Å; F130-E132 PolarHBondContact O-N 2.72Å; E132-R135 PolarHBondContact O-N 2.96Å; E132-K136 PolarHBondContact O-N 3.13Å; E132-K136 WeakPolarHBondContact OE1-CE 3.37Å; E132-K136 IonicContact OE1-NZ 3.72Å; E132-K136 PolarHBondContact OE1-NZ 3.46Å
133R94.3Very high90.9Very high182 Ų182110.6 Ų110.669%0.68751%0.513SS*.Hα-helixtrans-63.3-45.1174.7-68.6175.268.7-173.71.1111.7K129 F130 Q131 R135 K136 L137K129-R133 WeakPolarHBondContact O-CG 3.36Å; K129-R133 PolarHBondContact O-N 3.02Å; F130-R133 WeakPolarHBondContact O-CB 3.33Å; F130-R133 PolarHBondContact O-N 3.07Å; F130-R133 VanDerWaalsContact O-N 3.13Å; Q131-R133 VanDerWaalsContact C-N 3.32Å; Q131-R133 PolarHBondContact O-N 3.5Å; R133-R135 VanDerWaalsContact C-N 3.29Å; R133-R135 PolarHBondContact O-N 2.94Å; R133-K136 PolarHBondContact O-N 3.2Å; R133-L137 PolarHBondContact O-N 3.24Å
134L93.1Very high89.3Confident67 Ų67111.6 Ų111.635%0.35152%0.518SS..Hα-helixtrans-61-39.2173.7-73.6175.4000111.7A124 F130 Q131 L137 R138A124-L134 HydrophobicContact CB-CD1 3.79Å; F130-L134 HydrophobicContact CD1-CD1 4.05Å; F130-L134 HydrophobicContact CE1-CD1 3.57Å; F130-L134 HydrophobicContact CE1-CG 4.17Å; F130-L134 HydrophobicContact CE2-CG 4.39Å; F130-L134 HydrophobicContact CZ-CD1 3.9Å; F130-L134 HydrophobicContact CZ-CD2 4.22Å; F130-L134 HydrophobicContact CZ-CG 4.06Å; F130-L134 PolarHBondContact O-N 3.45Å; Q131-L134 PolarHBondContact O-N 3.09Å; L134-L137 WeakPolarHBondContact O-CB 3.3Å; L134-L137 PolarHBondContact O-N 3.33Å; L134-R138 PolarHBondContact O-N 3.39Å; L134-R138 VanDerWaalsContact O-N 3.11Å
135R92.5Very high87.3Confident138 Ų138115.8 Ų115.852%0.52155%0.545SS..Hα-helixtrans-65.4-42.2176.6-162.1-176.165133.5-5.7111.8Q131 E132 R133 L137 R138 Y139Q131-R135 WeakPolarHBondContact O-CB 3.44Å; Q131-R135 PolarHBondContact O-N 3.19Å; E132-R135 PolarHBondContact O-N 2.96Å; R133-R135 VanDerWaalsContact C-N 3.29Å; R133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 3.38Å; R135-R138 WeakPolarHBondContact O-CB 3.39Å; R135-R138 PolarHBondContact O-N 2.97Å; R135-Y139 HydrophobicContact CG-CE2 3.8Å; R135-Y139 WeakPolarHBondContact O-CD2 3.41Å; R135-Y139 PolarHBondContact O-N 2.76Å
136K93.4Very high85.3Confident112 Ų112116.7 Ų116.749%0.48756%0.557SS.*Hα-helixtrans-59.8-42.6173.1-78.4175.3-177.9160.70111.6E132 R133 R138 Y139 N140E132-K136 PolarHBondContact O-N 3.13Å; E132-K136 WeakPolarHBondContact OE1-CE 3.37Å; E132-K136 IonicContact OE1-NZ 3.72Å; E132-K136 PolarHBondContact OE1-NZ 3.46Å; R133-K136 PolarHBondContact O-N 3.2Å; K136-R138 VanDerWaalsContact C-N 3.29Å; K136-R138 PolarHBondContact O-N 3.4Å; K136-Y139 PolarHBondContact O-N 3.21Å; K136-Y139 VanDerWaalsContact O-N 3.14Å; K136-N140 PolarHBondContact O-N 2.92Å
137L90.2Very high83Confident92 Ų92115.4 Ų115.448%0.48256%0.558SS.*Hα-helixtrans-59.4-40176.7-170.268.4000112.1R133 L134 R135 Y139 N140 L141R133-L137 PolarHBondContact O-N 3.24Å; L134-L137 WeakPolarHBondContact O-CB 3.3Å; L134-L137 PolarHBondContact O-N 3.33Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 3.38Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.34Å; L137-N140 PolarHBondContact O-N 2.94Å; L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 WeakPolarHBondContact O-CD1 2.96Å; L137-L141 PolarHBondContact O-N 2.9Å
138R90.2Very high80.7Confident174 Ų174115.8 Ų115.866%0.65757%0.572SS**Hα-helixtrans-59.3-38.7176-176.8-177.7176.2-176.2-1.5112.9L134 R135 K136 N142L134-R138 PolarHBondContact O-N 3.39Å; L134-R138 VanDerWaalsContact O-N 3.11Å; R135-R138 WeakPolarHBondContact O-CB 3.39Å; R135-R138 PolarHBondContact O-N 2.97Å; K136-R138 VanDerWaalsContact C-N 3.29Å; K136-R138 PolarHBondContact O-N 3.4Å; R138-N142 PolarHBondContact O-N 3.47Å; R138-N142 PolarHBondContact O-ND2 2.92Å
139Y87.9Confident78.2Confident124 Ų124115.7 Ų115.749%0.48657%0.573SS.*Hα-helixtrans-69.2-43.3177-65.2-70.4000111.2R135 K136 L137 L141 N142 E143R135-Y139 HydrophobicContact CG-CE2 3.8Å; R135-Y139 WeakPolarHBondContact O-CD2 3.41Å; R135-Y139 PolarHBondContact O-N 2.76Å; K136-Y139 PolarHBondContact O-N 3.21Å; K136-Y139 VanDerWaalsContact O-N 3.14Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.34Å; Y139-L141 VanDerWaalsContact C-N 3.29Å; Y139-L141 PolarHBondContact O-N 2.93Å; Y139-N142 PolarHBondContact O-N 2.9Å; Y139-N142 VanDerWaalsContact O-N 3.12Å; Y139-E143 PolarHBondContact O-N 3.47Å; Y139-E143 VanDerWaalsContact O-N 3.12Å
140N86.7Confident75.8Confident92 Ų92116.7 Ų116.749%0.49258%0.584SS.*Hα-helixtrans-60.4-37.9176.4-61.4-12.9000112.4K136 L137 N142 E143 I144K136-N140 PolarHBondContact O-N 2.92Å; L137-N140 PolarHBondContact O-N 2.94Å; N140-N142 VanDerWaalsContact C-N 3.33Å; N140-N142 PolarHBondContact O-N 3.28Å; N140-E143 PolarHBondContact O-N 3.34Å; N140-I144 WeakPolarHBondContact O-CG1 3.44Å; N140-I144 PolarHBondContact O-N 2.92Å
141L82.6Confident73.2Confident108 Ų108117.1 Ų117.157%0.56560%0.598SS**Hα-helixtrans-66.3-32.7176.7-86.2151.2000113.3L137 Y139L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 WeakPolarHBondContact O-CD1 2.96Å; L137-L141 PolarHBondContact O-N 2.9Å; Y139-L141 VanDerWaalsContact C-N 3.29Å; Y139-L141 PolarHBondContact O-N 2.93Å
142N76.8Confident70.7Confident118 Ų118116.7 Ų116.763%0.63161%0.607SS**Hα-helixtrans-79.3-23.6177.4-67.4-23.4000112.4R138 Y139 N140R138-N142 PolarHBondContact O-N 3.47Å; R138-N142 PolarHBondContact O-ND2 2.92Å; Y139-N142 PolarHBondContact O-N 2.9Å; Y139-N142 VanDerWaalsContact O-N 3.12Å; N140-N142 VanDerWaalsContact C-N 3.33Å; N140-N142 PolarHBondContact O-N 3.28Å
143E70.9Confident68Low152 Ų152119.9 Ų119.971%0.7163%0.632SS**Hα-helixtrans-81.5-20.8177.1-74.8-175.2-172.800113.2Y139 N140 P145Y139-E143 PolarHBondContact O-N 3.47Å; Y139-E143 VanDerWaalsContact O-N 3.12Å; N140-E143 PolarHBondContact O-N 3.34Å; E143-P145 WeakPolarHBondContact O-CD 3.04Å; E143-P145 VanDerWaalsContact O-N 3.12Å
144I62.2Low65.8Low112 Ų112116.5 Ų116.557%0.57463%0.632SS**SBendtrans-70.3106.3168.1-61.9165.4000106.6N140 N146N140-I144 WeakPolarHBondContact O-CG1 3.44Å; N140-I144 PolarHBondContact O-N 2.92Å; I144-N146 PolarHBondContact O-N 2.88Å
145P54.7Low63.4Low97 Ų97119.2 Ų119.263%0.6366%0.656SS**  trans-62.7141.4174.4-2.218.9000106.5E143 S147E143-P145 WeakPolarHBondContact O-CD 3.04Å; E143-P145 VanDerWaalsContact O-N 3.12Å; P145-S147 PolarHBondContact O-N 3.34Å
146N52.2Low61.2Low156 Ų156118 Ų11883%0.83467%0.669SS**  trans-59.564.7173.1-63.4-55.5000112.1I144 S148I144-N146 PolarHBondContact O-N 2.88Å; N146-S148 PolarHBondContact O-N 2.91Å
147S49.2Very low58.6Low108 Ų108118.4 Ų118.476%0.75569%0.686SS**  trans-79.11-177.380.70000112.9P145 S149P145-S147 PolarHBondContact O-N 3.34Å; S147-S149 PolarHBondContact O-N 2.74Å
148S46.2Very low56.6Low107 Ų107118.9 Ų118.975%0.74870%0.697SS**  trans-85.242.5162.261.40000111.6N146 I150N146-S148 PolarHBondContact O-N 2.91Å; S148-I150 VanDerWaalsContact C-N 3.3Å; S148-I150 PolarHBondContact O-N 3.49Å
149S42Very low54.5Low84 Ų84118.2 Ų118.259%0.58771%0.706SS**  trans-69.599.2154.179.40000106.9S147 A151S147-S149 PolarHBondContact O-N 2.74Å; S149-A151 PolarHBondContact O-N 3.32Å
150I44.1Very low52Low180 Ų180117.9 Ų117.992%0.92372%0.722SS**  trans-64.174.8152.6-58.2171.4000105.4S148S148-I150 VanDerWaalsContact C-N 3.3Å; S148-I150 PolarHBondContact O-N 3.49Å
151A38.8Very low49.8Very low65 Ų65120.3 Ų120.354%0.53774%0.74SS.*  trans-121.496.7173.900000105S149S149-A151 PolarHBondContact O-N 3.32Å
152S41.9Very low47.7Very low97 Ų97119.5 Ų119.568%0.67874%0.743SS**  trans44.9101.1144.6-48.60000115.8T154S152-T154 PolarHBondContact O-N 3.06Å; S152-T154 PolarHBondContact O-OG1 2.89Å
153T38.2Very low46Very low152 Ų152120 Ų12093%0.93375%0.75SS**  trans-50.588.6152.144.60000110.1
154T48.6Very low45Very low111 Ų111119.1 Ų119.168%0.68175%0.751SS**  trans-132.493.2160.736.60000106.6S152 S156S152-T154 PolarHBondContact O-N 3.06Å; S152-T154 PolarHBondContact O-OG1 2.89Å; T154-S156 PolarHBondContact O-N 2.97Å
155S41.9Very low43.9Very low124 Ų124121.3 Ų121.387%0.86776%0.764SS**  trans-25112.4158.443.70000114.7
156S46.8Very low43.3Very low114 Ų114122.5 Ų122.580%0.79777%0.774SS**  trans-154.586.6149.858.90000109.4T154T154-S156 PolarHBondContact O-N 2.97Å
157S39.2Very low42.6Very low119 Ų119122 Ų12283%0.83278%0.777SS**  trans-63.4126.8161.351.70000110
158S47.7Very low42.8Very low103 Ų103122.3 Ų122.372%0.7278%0.78SS**  trans-179.9141.3135.1450000111.9
159L45.8Very low42.5Very low159 Ų159124.8 Ų124.883%0.83278%0.784SS**  trans88.182155.4-64.1144.1000117.5
160S34.7Very low43Very low118 Ų118129.5 Ų129.583%0.82580%0.802SS**  trans-64.2131.8147.8-6.80000110.9
161T41.1Very low42.9Very low142 Ų142128 Ų12887%0.87180%0.796SS**  trans-136.4114.2149.9190000109.5
162S39.2Very low43.1Very low91 Ų91131.9 Ų131.964%0.63680%0.803SS**  trans-56.3144.6169.3170.30000112.2
163T40.6Very low43.1Very low128 Ų128132.7 Ų132.779%0.78580%0.8SS**  -176.7104.4124.821.50000113.5
164N49.2Very low43.6Very low135 Ų135133.7 Ų133.772%0.72280%0.796SS**  51.3110.1126.2-53.4-12.5000121.8
165N39.9Very low43.3Very low157 Ų157135.5 Ų135.584%0.8480%0.801SS**  trans4125.9133-65.1-12.1000118.1
166S42.4Very low43.6Very low122 Ų122135.3 Ų135.385%0.85379%0.794SS**  trans-155.3100.6142-81.80000110.4
167T37Very low43.4Very low146 Ų146137.8 Ų137.890%0.89680%0.799SS**  trans-79.4122.2157.9410000108.9
168S53.3Low44Very low115 Ų115135.2 Ų135.280%0.80479%0.791SS**  trans-145.6124154.356.40000110.6
169N40.3Very low43.9Very low159 Ų159139.8 Ų139.885%0.8580%0.798SS**  trans-62.3136.7172.4-68.8-45000110.8
170L52.4Low44.2Very low183 Ų183139.3 Ų139.396%0.95880%0.796SS**  trans-135.5125.2143.4-83.3177.2000109.9
171N42Very low44.9Very low148 Ų148141.1 Ų141.179%0.79180%0.797SS**  trans-80.7175.6178.8-167.615.1000110.3
172E43.3Very low45.2Very low147 Ų147139.6 Ų139.669%0.68779%0.792SS**  trans96.6104.2159-68.2-158.8126.500120.3
173N42.5Very low45.8Very low114 Ų114143.2 Ų143.261%0.6180%0.803SS**  89.6120.6113.7-66.9-12.1000120.3
174M48Very low46.2Very low172 Ų172147.6 Ų147.685%0.84781%0.805SS**  trans63114.6135.1-60.3-81.8-167.800116.7
175N41.8Very low46.3Very low150 Ų150149.9 Ų149.980%0.80281%0.809SS**  156.4152.994-161.312.8000110.7
176V48.7Very low46.7Very low119 Ų119151.8 Ų151.872%0.72181%0.81SS**  trans-78.9153.9-159.3-150.50000113
177N43.1Very low46.9Very low167 Ų167151.8 Ų151.889%0.89381%0.805SS**  trans93.6130138.2-133.415.2000119.3
178G50.7Low47.6Very low65 Ų65156.5 Ų156.567%0.6781%0.807SS**  trans137.177.7174.900000111.1
179K45.7Very low47.1Very low198 Ų198157.9 Ų157.986%0.86181%0.805SS**  42.494.793.6-119178.6-176.9177.60111.6
180D53.2Low47.4Very low149 Ų149155.3 Ų155.380%0.79780%0.799SS**  -176.9149.5114.5-92.9-30.4000114.8
181N49.2Very low47.3Very low157 Ų157154.9 Ų154.984%0.8479%0.792SS**  trans-62.2135.3-175.4-61.4-47.8000113.6
182S46.5Very low47.7Very low110 Ų110156.5 Ų156.577%0.76980%0.795SS**  trans-162.194.4139.8-155.70000112.2R184S182-R184 PolarHBondContact O-N 3.45Å; S182-R184 VanDerWaalsContact O-N 3.08Å
183L51.6Low47.9Very low166 Ų166158.6 Ų158.687%0.86980%0.804SS**  trans-62.298.6163.4-97.3145.7000109.4K185L183-K185 PolarHBondContact O-N 3.24Å
184R48.9Very low48.2Very low220 Ų220164.3 Ų164.383%0.8382%0.817SS**  trans-70.696.2161.2-81.2-168.2-159.3-142.63.8109.3S182 F186S182-R184 PolarHBondContact O-N 3.45Å; S182-R184 VanDerWaalsContact O-N 3.08Å; R184-F186 PolarHBondContact O-N 3.48Å
185K51.3Low48.6Very low183 Ų183160.7 Ų160.780%0.79681%0.809SS**  trans-63.2113.6160-75.8178.8175.2179.30108.8L183 T187L183-K185 PolarHBondContact O-N 3.24Å; K185-T187 PolarHBondContact O-N 3.42Å
186F48.5Very low49.1Very low197 Ų197164.2 Ų164.286%0.86481%0.813SS**  trans-7799.6161.6-82.1-85.3000108.6R184 R188R184-F186 PolarHBondContact O-N 3.48Å; F186-R188 PolarHBondContact O-N 3.36Å
187T46.6Very low49Very low123 Ų123167.1 Ų167.176%0.75582%0.818SS**  trans-68.1109.2165.732.90000109.5K185 N189K185-T187 PolarHBondContact O-N 3.42Å; T187-N189 PolarHBondContact O-N 3.23Å
188R51Low49.4Very low245 Ų245167.6 Ų167.693%0.92582%0.815SS**  trans-66114.8163.3-97.9-178.5176.8162.4-0.5108.4F186 S190F186-R188 PolarHBondContact O-N 3.36Å; R188-S190 PolarHBondContact O-N 2.88Å
189N44.6Very low49.2Very low144 Ų144169.4 Ų169.477%0.7782%0.817SS**  trans-65.2115166.1-85.3-10.9000109.7T187 H191T187-N189 PolarHBondContact O-N 3.23Å; N189-H191 PolarHBondContact O-N 2.95Å
190S46.7Very low49.3Very low105 Ų105167.4 Ų167.473%0.73481%0.811SS**  trans-76.1103.5164.2156.60000108.4R188 Q192R188-S190 PolarHBondContact O-N 2.88Å; S190-Q192 PolarHBondContact O-N 3.31Å
191H49.6Very low49.1Very low173 Ų173169.3 Ų169.380%0.80182%0.815SS**  trans-78.1115.1166.6-86.3-23.1000110.2N189N189-H191 PolarHBondContact O-N 2.95Å
192Q50.9Low48.7Very low182 Ų182169.6 Ų169.685%0.8581%0.811SS**  trans-57.9134.3176.5-68.1174.7-2300111.4S190 R194S190-Q192 PolarHBondContact O-N 3.31Å; Q192-R194 PolarHBondContact O-N 3.13Å
193H45.9Very low48.6Very low192 Ų192169 Ų16989%0.88981%0.807SS**  trans-59.9118.3167.5-93.5-100.4000110.5S195H193-S195 PolarHBondContact O-N 2.95Å
194R50.6Low48.4Very low233 Ų233169.6 Ų169.688%0.87981%0.805SS**  trans-78.2104.6166.8-162.7175.7-155.5-161.15108.9Q192Q192-R194 PolarHBondContact O-N 3.13Å
195S54.5Low47.9Very low97 Ų97164.5 Ų164.568%0.67880%0.803SS**  trans-67.7127.9168.7-176.30000110H193 H197H193-S195 PolarHBondContact O-N 2.95Å; S195-H197 PolarHBondContact O-N 2.81Å
196Y54.3Low47.8Very low224 Ų224162.3 Ų162.388%0.87881%0.805SS**  trans-79.5107.6172.5-82.8-92.2000109.2
197H45.6Very low47.9Very low180 Ų180159.7 Ų159.783%0.83380%0.8SS**  trans-80.6121.4163.2-105.8-86.7000109.7S195 S199S195-H197 PolarHBondContact O-N 2.81Å; H197-S199 PolarHBondContact O-N 3.37Å
198Q51.5Low47.9Very low176 Ų176161.4 Ų161.482%0.82280%0.804SS**  trans-78.5106.7172.4-176.7170.716.400109
199S46.6Very low47.8Very low103 Ų103157.3 Ų157.372%0.7280%0.799SS**  trans-87.9105.4169.254.70000109.7H197H197-S199 PolarHBondContact O-N 3.37Å
200Q47.2Very low47.8Very low156 Ų156155.3 Ų155.373%0.72980%0.797SS**  trans-73.9120.8153.5-75-173.933.600107.6
201Q50.4Low47.7Very low189 Ų189154.8 Ų154.888%0.88379%0.793SS**  trans-102.3111.2163.5-75.3-168.8-19.700108.4
202H40.4Very low47.5Very low164 Ų164151.8 Ų151.876%0.75979%0.792SS**  trans-85.5128.8158.4-85.7-57.1000109
203S43.8Very low47.4Very low97 Ų97148.8 Ų148.868%0.67879%0.788SS**  trans-175126.6152.8-73.60000103.9
204H46.6Very low47.4Very low179 Ų179145.5 Ų145.583%0.82978%0.782SS**  -153.1135.153.1-67.2-81.8000110.3
205S39.1Very low47.3Very low113 Ų113141 Ų14179%0.7978%0.78SS**  trans-93.6127.1164-167.20000107.9
206T50.5Low46.9Very low136 Ų136139.5 Ų139.583%0.83478%0.78SS**  trans-119114.516433.20000108.8
207N48.7Very low46.7Very low142 Ų142135.2 Ų135.276%0.75978%0.777SS**  trans-59.2137.5172.6-76.4-27.5000111.3
208N48.3Very low46.7Very low159 Ų159132.5 Ų132.585%0.8577%0.773SS**  trans-14895.5145.5-100.1-10.4000109.5
209I48.7Very low46.4Very low159 Ų159130 Ų13082%0.81577%0.771SS**  trans14.2117.9131.6-54.4166.3000115.5
210S43Very low46.3Very low102 Ų102131.2 Ų131.271%0.71377%0.773SS**  175.2123.5117.4-168.40000112.5
211S46Very low46.5Very low94 Ų94127.8 Ų127.866%0.65777%0.772SS**  trans63.910613861.70000121.7
212S45.7Very low46.6Very low111 Ų111125.4 Ų125.478%0.77677%0.765SS**  113.2119.4118.7-58.60000118
213P47.8Very low47.2Very low118 Ų118122.6 Ų122.677%0.76676%0.76SS**  trans-96.6174.3-179.740.4-33.8000111.3
214T46.3Very low47.5Very low124 Ų124125.1 Ų125.176%0.76177%0.766SS**  trans-175.5120.1145.6-79.30000112.3
215T49.1Very low47.5Very low139 Ų139122.5 Ų122.585%0.85376%0.762SS**  trans58.1140.2151.258.80000119.6
216G45.7Very low47.7Very low65 Ų65125.4 Ų125.467%0.6776%0.764SS**  cis159142.720.100000102.8
217T49Very low47.9Very low134 Ų134126.3 Ų126.382%0.82276%0.76SS**  177.9131.962.834.50000108.5
218T45.7Very low47.7Very low122 Ų122127.3 Ų127.375%0.74876%0.758SS**  trans15.8136.2137.124.30000120
219T45.7Very low47.5Very low125 Ų125124.6 Ų124.677%0.76775%0.751SS**  179.8113.289-60.40000108.5
220T43.8Very low47.3Very low127 Ų127122.9 Ų122.978%0.77975%0.748SS**  83.7137.891.2-42.80000116.6
221A51.8Low47.2Very low84 Ų84122.8 Ų122.869%0.69475%0.748SS**  trans94.8134.1167.200000115.9
222N52.9Low47Very low139 Ų139123.7 Ų123.774%0.74375%0.749SS**  cis-167.6146.72.4-118.6-5.9000110
223T53Low47.1Very low105 Ų105125.7 Ų125.764%0.64475%0.75SS**  trans68.2119.1139.558.20000123.5
224N49.8Very low46.7Very low151 Ų151125.4 Ų125.481%0.80775%0.751SS**  63.5138.5123.7-72.90.1000119.3
225T47Very low47.2Very low123 Ų123125.3 Ų125.376%0.75575%0.752SS**  cis-165.5149.412.4-86.20000108
226Q42.7Very low47Very low175 Ų175124.7 Ų124.782%0.81875%0.75SS**  trans-63.9157.8176.2-63.2174.3-2.500114.2
227M55.2Low46.8Very low155 Ų155128.7 Ų128.776%0.76476%0.756SS**  trans-162.3124.6139.9-86.9-42.1-147.100112.7
228F44.1Very low47Very low163 Ų163128.4 Ų128.472%0.71576%0.756SS**  trans61.8109.2148.7-62.8-66.4000120.9
229S44.9Very low46.6Very low101 Ų101127.9 Ų127.971%0.70675%0.753SS**  77.3131.478.3-580000111.6
230T43.2Very low47Very low123 Ų123129.8 Ų129.876%0.75576%0.757SS**  cis-166.3135.140.637.70000108
231S42.4Very low46.9Very low100 Ų100130.3 Ų130.370%0.69976%0.755SS**  59.3130.694.2-55.70000113.5
232T42.2Very low46.6Very low113 Ų113135.3 Ų135.369%0.69376%0.764SS**  cis178.114325.616.40000110.4
233I46Very low46.1Very low153 Ų153134.7 Ų134.779%0.78577%0.765SS**  trans71.5110.4131.7-57.7164.2000120
234S40.4Very low46Very low113 Ų113137.8 Ų137.879%0.7978%0.776SS**  trans-79162.9153.1-41.60000111.9
235P57.7Low45.8Very low122 Ų122137.3 Ų137.379%0.79277%0.773SS**  trans-127.3157.3143.835.5-23.3000113.4
236P44.3Very low46.1Very low125 Ų125138.9 Ų138.981%0.81277%0.772SS**  trans-102.3160.9-16938.8-31.5000115.4
237L42Very low46.8Very low149 Ų149135.8 Ų135.878%0.7876%0.761SS**  trans-5.7156.8163.2-123.973.5000121.3
238P51.5Low46.9Very low128 Ų128137 Ų13783%0.83177%0.771SS**  -137.4151.9114.436.9-24.4000116.1
239T37.1Very low47.4Very low111 Ų111136.6 Ų136.668%0.68177%0.769SS**  trans-64.8137.8175.3-45.30000113.8
240I54.8Low48.1Very low166 Ų166140.8 Ų140.885%0.85178%0.777SS**  trans-141.4121.1153.4-64.5-176.6000108.9
241D41.9Very low48.7Very low138 Ų138142.8 Ų142.874%0.73878%0.784SS**  trans-62.4141.4168.3-78.6-51000112.1
242Q46.4Very low49.4Very low188 Ų188149.8 Ų149.888%0.87979%0.794SS**  -172126.6126-103.3163.437.500111.9
243T41.3Very low50.4Low126 Ų126151.4 Ų151.477%0.77380%0.798SS**  trans-44.5139.3164.847.50000113.5
244I52.1Low51Low171 Ų171149.8 Ų149.888%0.87780%0.797SS**  trans-165.5119.9130.9-85138000106.8
245D45.1Very low51.9Low140 Ų140155.4 Ų155.475%0.74980%0.801SS**  trans-64.6151.6167.1-163.94.8000109.8
246E53.3Low51.8Low157 Ų157157.4 Ų157.473%0.73480%0.804SS**  trans147.3131.8152.8-79.1-56.1149.800113.1
247D56Low52Low109 Ų109159.1 Ų159.158%0.58381%0.805SS**  trans80.359.9157.4-90.6-25.7000120.6K249D247-K249 VanDerWaalsContact C-N 3.27Å; D247-K249 VanDerWaalsContact CG-NZ 3.29Å; D247-K249 PolarHBondContact O-N 3.36Å; D247-K249 VanDerWaalsContact O-N 3.09Å; D247-K249 IonicContact OD1-NZ 2.92Å; D247-K249 PolarHBondContact OD1-NZ 3.47Å; D247-K249 IonicContact OD2-NZ 3.68Å; D247-K249 PolarHBondContact OD2-NZ 2.92Å
248D58.1Low52.7Low181 Ų181158.8 Ų158.897%0.96880%0.803SS**  trans-78.573.3155.7-126.9-2.9000110.3
249K54.9Low52.7Low154 Ų154161.2 Ų161.267%0.6780%0.8SS**  trans-91.2140.5162.6-69.6-171.7-179.9790108D247D247-K249 VanDerWaalsContact C-N 3.27Å; D247-K249 VanDerWaalsContact CG-NZ 3.29Å; D247-K249 PolarHBondContact O-N 3.36Å; D247-K249 VanDerWaalsContact O-N 3.09Å; D247-K249 IonicContact OD1-NZ 2.92Å; D247-K249 PolarHBondContact OD1-NZ 3.47Å; D247-K249 IonicContact OD2-NZ 3.68Å; D247-K249 PolarHBondContact OD2-NZ 2.92Å
250E58.4Low53.1Low189 Ų189160.4 Ų160.488%0.88380%0.799SS**  trans102.764.1164.2-150.2169-145.600117.2
251N56.8Low52.5Low166 Ų166159.1 Ų159.189%0.88879%0.794SS**  trans-156.541.7151.3-113.2-17.7000115I253N251-I253 PolarHBondContact O-N 3.04Å
252R56.6Low52.3Low246 Ų246157.6 Ų157.693%0.92879%0.794SS**  trans-98.491.5178.3-133.6-180-165.6-150.46.7111.2
253I63.6Low52.2Low148 Ų148154 Ų15476%0.75979%0.79SS**  trans-56.3123.8166.6-60.7170.7000108.3N251 R255N251-I253 PolarHBondContact O-N 3.04Å; I253-R255 PolarHBondContact O-N 3.15Å; I253-R255 VanDerWaalsContact O-N 3.09Å
254P59.3Low52.1Low118 Ų118154.7 Ų154.777%0.76679%0.794SS**  trans-65.2114.4178.822.9-29.8000110L256P254-L256 PolarHBondContact O-N 3.45Å; P254-L256 VanDerWaalsContact O-N 3.13Å
255R58.1Low51.6Low232 Ų232148.5 Ų148.588%0.87577%0.773SS**  trans-65.6108.5167.1-78.1-177.4159.5175.9-3.7108.3I253 L257I253-R255 PolarHBondContact O-N 3.15Å; I253-R255 VanDerWaalsContact O-N 3.09Å; R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.43Å
256L55.4Low51.2Low163 Ų163149.2 Ų149.285%0.85378%0.776SS**  trans-60.493.4165.8-112.8151.6000108.8P254 I258P254-L256 PolarHBondContact O-N 3.45Å; P254-L256 VanDerWaalsContact O-N 3.13Å; L256-I258 PolarHBondContact O-N 3.08Å
257L49.6Very low50.6Low161 Ų161151.8 Ų151.884%0.84378%0.781SS**  trans-73.191170.2-82.1161.3000108.3R255 K259R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.43Å; L257-K259 VanDerWaalsContact C-N 3.29Å; L257-K259 PolarHBondContact O-N 3.41Å
258I56.5Low49.7Very low142 Ų142154 Ų15473%0.72879%0.793SS**  trans-70.693.1164.1-58.8175.8000106.7L256 S260L256-I258 PolarHBondContact O-N 3.08Å; I258-S260 PolarHBondContact O-N 3.12Å
259K51.6Low48.5Very low179 Ų179152.1 Ų152.178%0.77879%0.788SS**  trans-69.399.2173.9-164.6163.9-179.7174.60108.3L257 N261L257-K259 VanDerWaalsContact C-N 3.29Å; L257-K259 PolarHBondContact O-N 3.41Å; K259-N261 PolarHBondContact O-N 3.09Å; K259-N261 VanDerWaalsContact O-N 3.15Å
260S46Very low48Very low95 Ų95150.1 Ų150.166%0.66479%0.79SS**  trans-73.798.8171.8-39.80000107.8I258 S262I258-S260 PolarHBondContact O-N 3.12Å; S260-S262 VanDerWaalsContact C-N 3.26Å; S260-S262 PolarHBondContact O-N 3.39Å
261N42.7Very low46.7Very low139 Ų139151.9 Ų151.974%0.74379%0.791SS**  trans-73.683.6170.5-72.3-10.4000108.8K259 S263K259-N261 PolarHBondContact O-N 3.09Å; K259-N261 VanDerWaalsContact O-N 3.15Å; N261-S263 PolarHBondContact O-N 2.98Å
262S37.3Very low46.1Very low106 Ų106149.9 Ų149.974%0.74178%0.784SS**  trans-88.786.7161.156.50000108S260S260-S262 VanDerWaalsContact C-N 3.26Å; S260-S262 PolarHBondContact O-N 3.39Å
263S43.2Very low45.1Very low112 Ų112144.4 Ų144.478%0.78377%0.773SS**  trans-94.5103.6164.3175.10000107.8N261 G265N261-S263 PolarHBondContact O-N 2.98Å; S263-G265 PolarHBondContact O-N 2.9Å
264T39.9Very low43.6Very low141 Ų141144.4 Ų144.487%0.86578%0.775SS**  trans-65.2100.5163.94.10000108.3
265G41.7Very low42.6Very low41 Ų41145.2 Ų145.242%0.42378%0.777SS.*  trans-109.893.7170.400000109.9S263 Y267S263-G265 PolarHBondContact O-N 2.9Å; G265-Y267 PolarHBondContact O-N 3.11Å
266N36.9Very low41.4Very low154 Ų154139.9 Ų139.982%0.82477%0.771SS**  trans-67.5115163.5-84.8-16.3000108.2
267Y40.8Very low40.9Very low212 Ų212138.7 Ų138.783%0.83177%0.77SS**  trans-134.3119.5166.7-59-72.4000110.2G265G265-Y267 PolarHBondContact O-N 3.11Å
268N36.2Very low40.1Very low156 Ų156138 Ų13883%0.83477%0.767SS**  trans-59138.6175.8-69.3-29.9000111.1P270N268-P270 WeakPolarHBondContact O-CD 3.4Å
269T34.3Very low39.2Very low140 Ų140136.8 Ų136.886%0.85977%0.771SS**  trans-61.1132.5164.944.30000111.7
270P43.1Very low38.3Very low112 Ų112133.6 Ų133.673%0.72777%0.767SS**  trans-113.3122.615130.4-15.9000110.8N268N268-P270 WeakPolarHBondContact O-CD 3.4Å
271Y31.9Very low38Very low227 Ų227134.6 Ų134.689%0.8977%0.773SS**  trans-50.5124.2155.7-124.3-103.3000110.3
272V43.6Very low37.6Very low123 Ų123135 Ų13575%0.74578%0.775SS**  trans-169.4115.3147-106.20000113.2
273N36.1Very low37.9Very low132 Ų132136.5 Ų136.571%0.70678%0.779SS**  trans45.4117.1130-69.9-11.5000122.7
274N32.4Very low38Very low148 Ų148136.9 Ų136.979%0.79178%0.777SS**  40.1101126.5-61.8-7.5000118.6
275V37.6Very low38.1Very low134 Ų134135.8 Ų135.881%0.81277%0.772SS**  trans-141116.4141.8-179.80000110.2
276T33.5Very low38.2Very low121 Ų121141.7 Ų141.774%0.74279%0.792SS**  trans-61.5129.3169.3-48.40000111.3
277V43.2Very low38.2Very low138 Ų138138.2 Ų138.284%0.83678%0.78SS**  trans-146.2117155.2-122.70000110.6
278N33.5Very low38.4Very low146 Ų146133.1 Ų133.178%0.78178%0.776SS**  trans-57.2135.9172.6-72.3-26.1000111.6
279S36.8Very low38.6Very low117 Ų117135 Ų13582%0.81877%0.772SS**  trans-157.1127.9134.7-143.80000111.8
280T32.9Very low39Very low112 Ų112134.3 Ų134.369%0.68777%0.768SS**  trans-90121.8-168.1-46.80000109.5
281C39.9Very low39.1Very low116 Ų116135 Ų13578%0.78477%0.77SS**  trans-140.295.3163.7-510000108.9
282N35.7Very low39.2Very low147 Ų147132 Ų13279%0.78676%0.763SS**  trans-69.2123.3172.1-70.9-23.8000109.8
283V43.6Very low39.7Very low138 Ų138132 Ų13284%0.83677%0.766SS**  trans-125.8105.5162.5-176.80000107.7
284T43.6Very low39.9Very low120 Ų120131.4 Ų131.474%0.73677%0.773SS**  trans-78.5134.9175.8-380000109.7
285P43Very low40.6Very low117 Ų117130 Ų13076%0.7677%0.774SS**  trans-83.4123.8173.831.5-29.2000110.3S287P285-S287 PolarHBondContact O-N 2.74Å
286I43.6Very low40.7Very low165 Ų165128.2 Ų128.285%0.84677%0.767SS**  trans-76.4106.1170.3-65.8174.2000108.2
287S36.7Very low41.3Very low81 Ų81132.6 Ų132.657%0.56677%0.772SS**PPolyproline II helixtrans-79.3118.6161.7-178.40000108.3P285P285-S287 PolarHBondContact O-N 2.74Å
288S44.6Very low41.2Very low106 Ų106130.9 Ų130.974%0.74177%0.766SS**PPolyproline II helixtrans-102.1119.3170.942.10000109.4
289Y41Very low41.8Very low195 Ų195128.8 Ų128.877%0.76576%0.763SS**PPolyproline II helixtrans-78.7127.8176.9-61.3-94.1000109.1
290V43.7Very low42.2Very low126 Ų126128.3 Ų128.376%0.76476%0.76SS**  trans-89.6113.5167.6174.40000107.5
291T43.9Very low42.7Very low125 Ų125128 Ų12877%0.76776%0.762SS**  trans-99.1115.4172.5-49.40000108.9
292H34.9Very low43Very low164 Ų164127 Ų12776%0.75976%0.756SS**  trans-74.2144.1166.1-66.8-86.4000110.2
293P53.4Low43.3Very low123 Ų123125.9 Ų125.980%0.79976%0.755SS**  trans-121.8124.914431.4-19.5000111
294S40.1Very low43.3Very low121 Ų121124.2 Ų124.285%0.84675%0.749SS**  trans-63.9130.8165.4-46.80000110.4
295S47Very low43.2Very low118 Ų118124.8 Ų124.883%0.82576%0.758SS**  trans-151.5127.9148.9560000110.9
296S40.1Very low43.2Very low96 Ų96129 Ų12967%0.67177%0.765SS**  trans-76.1-176.5178.134.10000112.5
297Y45.6Very low43Very low214 Ų214126.9 Ų126.984%0.83976%0.764SS**  trans100.193.7176.1-55.7-72000113.4
298S42.4Very low43.3Very low101 Ų101128.4 Ų128.471%0.70678%0.775SS**  94.2133.364.9-72.40000112.6
299S44.7Very low42.9Very low102 Ų102132.7 Ų132.771%0.71378%0.781SS**  trans84.9108.2155.9-8.10000117.1
300S45.6Very low42.9Very low108 Ų108129.3 Ų129.376%0.75579%0.785SS**  85.5129.5102.362.80000112.4
301S44.3Very low42.6Very low104 Ų104129 Ų12973%0.72779%0.788SS**  cis-178.1151.129.442.70000109.9
302S46.2Very low42.6Very low95 Ų95128.6 Ų128.666%0.66479%0.791SS**  trans43.8123.5140.964.40000120.4
303T41.6Very low42.7Very low124 Ų124126.4 Ų126.476%0.76179%0.794SS**  175.4116.17329.80000108.4
304S43.7Very low42.5Very low104 Ų104127.6 Ų127.673%0.72780%0.799SS**  42.9115.3109.668.40000118.1
305S40.8Very low42.4Very low131 Ų131128.3 Ų128.392%0.91680%0.798SS**  trans-160.9122.1133.5-79.70000110.8
306K42.9Very low42.2Very low207 Ų207128.4 Ų128.490%0.980%0.799SS**  trans-85.9142.4174.7-64.4167.2175.31730108.2
307S40.4Very low42.5Very low120 Ų120130 Ų13084%0.83981%0.805SS**  trans-140.8119.5154.759.90000110.3
308S42.7Very low42.4Very low112 Ų112125.2 Ų125.278%0.78380%0.8SS**  trans-79.6147.2-174.8-27.40000111.3
309F36.6Very low42.7Very low197 Ų197128.1 Ų128.186%0.86481%0.806SS**  trans-61.3143.2164.6-65-89.8000111.4
310S39.9Very low42.5Very low124 Ų124130.2 Ų130.287%0.86781%0.809SS**  trans-139.9107.9160.8-78.50000108.8
311S38.5Very low42.4Very low118 Ų118132.6 Ų132.683%0.82581%0.813SS**  trans-90.2117.6173.1-36.30000107.8
312S42.7Very low42.4Very low118 Ų118134.6 Ų134.683%0.82582%0.815SS**  trans-103.4114.4169.856.40000109.8
313S37.9Very low41.9Very low118 Ų118139 Ų13983%0.82583%0.825SS**  trans-85.2132.4169.4180000108.9
314V47.8Very low42Very low148 Ų148138.8 Ų138.890%0.89783%0.828SS**  trans-112.4120.7167.8-98.30000108.5
315T39.7Very low41.9Very low136 Ų136145 Ų14583%0.83484%0.836SS**  trans-94129.5169.925.50000108.1
316S42.9Very low42.5Very low119 Ų119145.3 Ų145.383%0.83283%0.832SS**  trans-138110.7164.254.60000108.7
317T46.6Very low42.5Very low131 Ų131143 Ų14380%0.80483%0.83SS**  trans-93.3177.7171.1520000109.2
318P42.2Very low42.9Very low113 Ų113140.9 Ų140.973%0.73483%0.826SS**  -117.7166.9-100.521.81.9000112.7
319I48.7Very low43.1Very low162 Ų162144.3 Ų144.383%0.83184%0.835SS**  trans-112.5120.6170.3-59.3176.7000109.1
320N41.3Very low43.3Very low146 Ų146142.2 Ų142.278%0.78183%0.829SS**  trans-63.6137.2168.4-70.6-33.8000110.6
321N43.2Very low44.3Very low157 Ų157144.6 Ų144.684%0.8483%0.829SS**  trans-148.7141151.8-103.8-38.2000112.6
322L44.1Very low44.9Very low147 Ų147145.3 Ų145.377%0.7782%0.819SS**  trans-71.6147.3-167-87.481.2000114.6
323H36Very low45.4Very low187 Ų187150.5 Ų150.587%0.86682%0.821SS**  trans11.9123.6143.2-65.9110.6000120.2
324S42.8Very low45.7Very low119 Ų119152.4 Ų152.483%0.83282%0.817SS**  trans-150.8127.4135.9-175.10000110.8
325R41.4Very low45.9Very low235 Ų235150.4 Ų150.489%0.88781%0.809SS**  trans-70132.4176.5-86172156.8-179.8-5.6110.5
326V53.2Low46.8Very low137 Ų137150.3 Ų150.383%0.8381%0.809SS**  trans-139.2119.3149.6-176.90000108.8
327N43.5Very low47.3Very low160 Ų160150 Ų15086%0.85680%0.804SS**  trans-68.1133.8170.6-76.2-22.8000109.8
328G48.2Very low47.5Very low74 Ų74151.7 Ų151.776%0.76381%0.807SS**  trans-153126.2173.100000110.1
329L47.3Very low47.9Very low184 Ų184155.1 Ų155.196%0.96381%0.813SS**  trans-56.8134.3-161.5-79.1141.3000115.8
330M42Very low47.8Very low153 Ų153157.8 Ų157.875%0.75481%0.814SS**  trans-77123.5173.3178.117567.300110.5Q332M330-Q332 HydrophobicContact CG-CB 4.39Å
331M61.2Low47.9Very low174 Ų174157.7 Ų157.786%0.85781%0.814SS**  trans-105.5100.9158.2-79.7-66.5-15800107.9W333M331-W333 PolarHBondContact O-N 2.91Å
332Q50.6Low48Very low133 Ų133157.3 Ų157.362%0.62181%0.812SS**  trans-80.6103.6177.4-177.71802.100109.1M330 Q334M330-Q332 HydrophobicContact CG-CB 4.39Å; Q332-Q334 HydrophobicContact CG-CG 4.13Å; Q332-Q334 PolarHBondContact O-N 2.9Å
333W52Low48.1Very low227 Ų227158.5 Ų158.586%0.8681%0.811SS**  trans-80.2101.5165-7493.1000108.8M331 S335M331-W333 PolarHBondContact O-N 2.91Å; W333-S335 PolarHBondContact O-N 2.81Å
334Q45.4Very low48.9Very low159 Ų159160 Ų16074%0.74381%0.81SS**  trans-77.2110.4164.9-69-177.1-5.800108.1Q332Q332-Q334 HydrophobicContact CG-CG 4.13Å; Q332-Q334 PolarHBondContact O-N 2.9Å
335S51.7Low48.8Very low105 Ų105162.3 Ų162.373%0.73481%0.814SS**  trans-110.1117.9165.4-63.40000108.3W333W333-S335 PolarHBondContact O-N 2.81Å
336T58.2Low48.9Very low134 Ų134156.5 Ų156.582%0.82281%0.809SS**  trans-56.6125.4174.7-8.90000110.4L338T336-L338 PolarHBondContact O-N 2.96Å
337P52.8Low48.4Very low114 Ų114157.8 Ų157.874%0.7481%0.81SS**  trans-82108.5167.429.3-26.6000108.8Q339P337-Q339 PolarHBondContact O-N 2.71Å
338L52.3Low48.3Very low166 Ų166158.7 Ų158.787%0.86981%0.814SS**  trans-69.6108.8162.3-82.3171.8000108.1T336 Y340T336-L338 PolarHBondContact O-N 2.96Å; L338-Y340 PolarHBondContact O-N 3.43Å
339Q49.3Very low48Very low185 Ų185159.3 Ų159.386%0.86481%0.807SS**  trans-62.2110.3165.7-71177-11.300108.6P337P337-Q339 PolarHBondContact O-N 2.71Å
340Y46.8Very low47.6Very low217 Ų217157.6 Ų157.685%0.85180%0.799SS**  trans-111.7112.9155.4-116.6-90.2000107.5L338L338-Y340 PolarHBondContact O-N 3.43Å
341N42.9Very low47.6Very low144 Ų144156 Ų15677%0.7780%0.802SS**  trans-99.2104179.9-16314.2000105.1
342D46.6Very low46.6Very low149 Ų149155.3 Ų155.380%0.79780%0.801SS**  trans-147.1133158.9-94.2-38.1000110.8
343K45.1Very low46.3Very low172 Ų172154.3 Ų154.375%0.74881%0.809SS**  trans-71.2169.3-169.9-72.3166.1174.1174.90111.5
344Y53.8Low45.8Very low218 Ų218146.5 Ų146.586%0.85580%0.799SS**  trans96.673.7175.2-54.4-74.1000115.3
345N40.7Very low45.7Very low169 Ų169148.6 Ų148.690%0.90481%0.806SS**  trans-89.7117.6147.5-87.1-41.1000108.4
346S44Very low45.2Very low113 Ų113153.7 Ų153.779%0.7982%0.815SS**  trans-123.2113.8157.2-53.50000106.9
347L41.9Very low44.4Very low163 Ų163153 Ų15385%0.85382%0.816SS**  trans-52.2138.3170-73.7123.3000111.2
348L41.8Very low44.1Very low179 Ų179152.7 Ų152.794%0.93782%0.816SS**  trans-154.3120138.2-135.983.9000110.2
349S40.9Very low43.7Very low87 Ų87148.7 Ų148.761%0.60882%0.816SS**  trans-86.7158.5169.543.10000110.9
350D40.4Very low43.7Very low149 Ų149147.4 Ų147.480%0.79781%0.813SS**  trans85.4143.2149.9-57.6-37000122.3
351C41.7Very low43.6Very low120 Ų120146.1 Ų146.181%0.81182%0.815SS**  trans85.992.6153.1-63.60000120.5
352D38.6Very low43.5Very low158 Ų158144.8 Ų144.885%0.84582%0.816SS**  26.9116.5111.8-147.36.8000119.2
353S44.6Very low44.1Very low113 Ų113143.3 Ų143.379%0.7981%0.813SS**  trans170.8125.8130.338.40000110.1
354G41.6Very low44Very low63 Ų63138.5 Ų138.565%0.64981%0.812SS**  trans-80.1154.9179.700000113
355F43.1Very low43.9Very low203 Ų203137.2 Ų137.289%0.8981%0.811SS**  trans-148.3117.9149-95.3-79.5000109.1
356F42.3Very low44.3Very low211 Ų211135.5 Ų135.593%0.92581%0.807SS**  trans-73.5121.6164.5-82-93.9000107.9
357S41.7Very low44.6Very low121 Ų121136.1 Ų136.185%0.84681%0.808SS**  trans-104101.2162.8-670000108.9G359S357-G359 PolarHBondContact O-N 3.17Å
358S45.3Very low45Very low106 Ų106135.9 Ų135.974%0.74181%0.808SS**  trans-65.8114.5160.541.60000109.5I360S358-I360 PolarHBondContact O-N 3.15Å
359G43.6Very low44.9Very low83 Ų83130.8 Ų130.886%0.85679%0.792SS**  trans-78.5108.1170.400000110.6S357S357-G359 PolarHBondContact O-N 3.17Å
360I50.6Low45.4Very low157 Ų157133.7 Ų133.781%0.80580%0.8SS**  trans-109.4114.6162.516.4174.1000106.7S358 S362S358-I360 PolarHBondContact O-N 3.15Å; I360-S362 PolarHBondContact O-N 3.27Å
361Q43.9Very low45.7Very low191 Ų191133.6 Ų133.689%0.89380%0.8SS**  trans-68.1111.4170.4-79.6176.41.700108.5
362S40.8Very low45.8Very low115 Ų115133.9 Ų133.980%0.80480%0.798SS**  trans-106.1109.7166.3-176.30000107.9I360I360-S362 PolarHBondContact O-N 3.27Å
363V59Low46Very low119 Ų119133.1 Ų133.172%0.72180%0.798SS**  trans-88103.8172.7-151.30000106.6
364G43.1Very low45.9Very low70 Ų70130.6 Ų130.672%0.72279%0.79SS**PPolyproline II helixtrans-79.4118.817600000110.8
365F53Low46Very low191 Ų191135.1 Ų135.184%0.83881%0.805SS**PPolyproline II helixtrans-94.1119.1164.1-82-83.2000109.4
366T49.3Very low46Very low134 Ų134129 Ų12982%0.82280%0.799SS**PPolyproline II helixtrans-79.3130.3164.8430000110.4
367P49Very low45.8Very low126 Ų126129.7 Ų129.782%0.81880%0.795SS**  trans-105.3118.2157.430.3-18.7000109.9
368N50.4Low46Very low157 Ų157130.8 Ų130.884%0.8480%0.797SS**  trans-82.3135.3170.2-172.810.4000109.6
369A40.5Very low45.6Very low73 Ų73132.4 Ų132.460%0.60380%0.797SS**  trans-74151.5179.100000111.8
370N51.2Low45.8Very low148 Ų148136.1 Ų136.179%0.79180%0.796SS**  trans-174.8138135.9-87-21.9000111.6
371N46.7Very low45.1Very low146 Ų146133.1 Ų133.178%0.78179%0.789SS**  trans76.8101.6164.5-61.4-13.6000117.3
372V44.2Very low45Very low127 Ų127130.4 Ų130.477%0.7778%0.779SS**  89.2127.552.4179.10000112.4
373V43Very low45Very low142 Ų142132.2 Ų132.286%0.86178%0.78SS**  trans78.8127.6171.3-1580000115.8
374G42.1Very low43.9Very low60 Ų60131 Ų13162%0.61978%0.776SS**  cis176.91471.600000111.7
375V44Very low43.9Very low158 Ų158133 Ų13396%0.95878%0.775SS**  trans50.2121.4137.2-167.80000119.8
376G43.4Very low43.4Very low74 Ų74132.3 Ų132.376%0.76377%0.774SS**  trans17073.6155.500000115.2
377R38.2Very low42.6Very low226 Ų226131.7 Ų131.785%0.85377%0.774SS**  trans-63.6146.3165.7-94.5179.6158.5179.3-5.7111.3
378T45.9Very low42.4Very low143 Ų143132.4 Ų132.488%0.87778%0.776SS**  -169.7122.2125.421.80000112.2
379D36.9Very low41.7Very low141 Ų141131.9 Ų131.975%0.75477%0.773SS**  trans-78.9142.3166-57.7-66.5000111.1
380I46.3Very low41.7Very low160 Ų160136.7 Ų136.782%0.82179%0.788SS**  trans-159.9108.7148-50.3-175.8000106
381S35.9Very low40.8Very low95 Ų95134.7 Ų134.766%0.66478%0.784SS**  63.1142.187-143.10000112.1
382I42.9Very low40.3Very low133 Ų133133 Ų13368%0.68278%0.783SS**  cis-179.1168.3-0.7-109.7175.3000103.8
383D40.4Very low39.9Very low154 Ų154132.5 Ų132.582%0.82478%0.781SS**  trans95.4141.7162.8-66-32.3000118.8
384S36.7Very low39.9Very low92 Ų92132.9 Ų132.964%0.64378%0.778SS**  cis163.4155.3-25.31800000104.8
385V41.8Very low39.7Very low113 Ų113136.6 Ų136.669%0.68579%0.788SS**  trans77.6129.7162.6-1560000114.3
386Q42.5Very low39.9Very low176 Ų176134.3 Ų134.382%0.82278%0.779SS**  cis-162.714437.4-143.7154.245.900111.2
387C33.1Very low39.8Very low121 Ų121137.6 Ų137.682%0.81878%0.779SS**  trans-80145.9163.9-75.90000110.9
388T44.8Very low40Very low141 Ų141131.4 Ų131.487%0.86577%0.767SS**  trans-147.3120.9147.431.70000110.9
389D34.8Very low40.3Very low147 Ų147132.8 Ų132.879%0.78677%0.769SS**  trans-47.1154.8157.6-90.5-50.1000112.7
390L41.2Very low40.5Very low174 Ų174133.5 Ų133.591%0.91177%0.768SS**  -175.3123.1124-94.5163.7000110.9
391C33Very low40.7Very low106 Ų106138 Ų13872%0.71677%0.774SS**  trans-69.7157.8170.6-72.10000112.8
392S35.1Very low41Very low109 Ų109139.8 Ų139.876%0.76278%0.776SS**  trans115.3141.2132.7-50.80000118.7
393V36.7Very low41.1Very low118 Ų118139.5 Ų139.572%0.71579%0.785SS**  trans91.7104148.7-161.10000117.8
394N42.1Very low41Very low150 Ų150139.6 Ų139.680%0.80279%0.786SS**  -172.9121.6103.4-103.5-40.3000113.3
395V38.7Very low41.3Very low138 Ų138141 Ų14184%0.83679%0.79SS**  trans-112.1134.9162.8171.20000106.7
396S48.1Very low41.4Very low110 Ų110144.2 Ų144.277%0.76980%0.795SS**  trans-136111157.328.10000107.3
397N41Very low41.7Very low142 Ų142143.3 Ų143.376%0.75979%0.792SS**  58.5132.282.9-122.74.5000111.3
398T43.2Very low41.9Very low96 Ų96142.4 Ų142.459%0.58979%0.788SS**  cis-171.8146.410.8-26.90000104.7
399D51Low41.9Very low172 Ų172141.5 Ų141.592%0.9279%0.786SS**  -172.4135.1120.8-102-24.4000112.8
400Q41.8Very low42.5Very low157 Ų157143.5 Ų143.573%0.73479%0.793SS**  trans-122.1130.9-159.6178.3-176.140.700107.1
401R49.7Very low42.6Very low254 Ų254138.8 Ų138.896%0.95879%0.786SS**  trans-146.4115.8153.8-100.3-173.5-168.1175.74.5112.7
402N42.6Very low43.2Very low132 Ų132141.3 Ų141.371%0.70679%0.792SS**  trans-39.6149.2169.4-65.4-9.2000115.8
403C45Very low43.7Very low128 Ų128144.9 Ų144.987%0.86580%0.799SS**  -172.1117.195-79.70000110.6
404N37.6Very low43.9Very low156 Ų156144 Ų14483%0.83480%0.798SS**  trans-67.8159.2159.9-69.2-34.4000109.4
405V44.4Very low43.7Very low121 Ų121142.1 Ų142.173%0.73380%0.797SS**  163139.21271570000112.5
406F44Very low43.9Very low180 Ų180144.1 Ų144.179%0.78980%0.802SS**  trans9596.7158-84.2-62.3000122.4
407M47.3Very low43.6Very low157 Ų157143 Ų14377%0.77380%0.799SS**  75.9110123.1-91.7-174.5150.200124.4
408S37.2Very low43.8Very low103 Ų103142.6 Ų142.672%0.7280%0.804SS**  4.8127.7121.8-53.30000118.9
409C44.9Very low43.7Very low121 Ų121143.4 Ų143.482%0.81881%0.814SS**  -176.8128.6108.440.30000113.2
410M47.6Very low43.1Very low190 Ų190140.6 Ų140.694%0.93681%0.808SS**  trans45.2133.7138-60.5-174.660.500122
411G43.5Very low43.1Very low74 Ų74141.4 Ų141.476%0.76382%0.816SS**  trans161.980.7147.900000116.1
412N45.3Very low42.6Very low159 Ų159134.4 Ų134.485%0.8581%0.806SS**  trans-49.4130.5161.9-86.8-16.2000112
413M46.5Very low42.7Very low185 Ų185133.4 Ų133.491%0.91181%0.808SS**  trans-142.1130.4147.6-73.2-86.673.500109.6
414S40.3Very low42.7Very low99 Ų99133.9 Ų133.969%0.69280%0.802SS**  trans-80.7155.4-168.9-47.70000113.8
415S37.4Very low43Very low111 Ų111130.1 Ų130.178%0.77680%0.801SS**  trans29113.8139.464.80000119
416L43.4Very low43.7Very low179 Ų179133.1 Ų133.194%0.93781%0.806SS**  trans-142.3125144.8-97.2156.2000109
417A42.3Very low43.6Very low86 Ų86133 Ų13371%0.71181%0.813SS**PPolyproline II helixtrans-68.8163.6179.500000112S419A417-S419 PolarHBondContact O-N 2.98Å
418P44.1Very low43.6Very low135 Ų135130.9 Ų130.988%0.87781%0.813SS**PPolyproline II helixtrans-79.1118.7-174.131.8-30000110.3
419S41.6Very low43.9Very low112 Ų112129.6 Ų129.678%0.78381%0.809SS**PPolyproline II helixtrans-79.8120.2168.437.50000110.3A417 L421A417-S419 PolarHBondContact O-N 2.98Å; S419-L421 PolarHBondContact O-N 3.15Å
420S39.4Very low43.9Very low114 Ų114133.5 Ų133.580%0.79781%0.813SS**  trans-39.5122.1166.549.40000114
421L41.7Very low43.8Very low173 Ų173130.3 Ų130.391%0.90681%0.809SS**  trans-89.599.6158.8-80.4163.7000108.5S419S419-L421 PolarHBondContact O-N 3.15Å
422S37.8Very low44.2Very low108 Ų108132.9 Ų132.976%0.75581%0.81SS**  trans-88.6120.9155.2170.70000106.5
423C46.4Very low44.9Very low110 Ų110131 Ų13174%0.74381%0.806SS**  trans-160.7108158.4-87.10000108.7
424D44.8Very low45.4Very low138 Ų138128.5 Ų128.574%0.73880%0.801SS**  trans60.4101.5141.5-59.2-28.7000120.6
425G43.1Very low45.9Very low78 Ų78128.3 Ų128.380%0.80481%0.805SS**  trans-71.9123.3162.600000112
426H59Low46.5Very low183 Ų183134.5 Ų134.585%0.84781%0.812SS**  trans-98.4101.7158.8-74.4-75.8000109.3
427L42Very low46.6Very low177 Ų177131.8 Ų131.893%0.92781%0.808SS**  trans-76.3118.8161.5-67.5166.5000108.4
428S48.3Very low46.8Very low113 Ų113131.3 Ų131.379%0.7981%0.811SS**  trans-167.599.9157.8-151.80000109.5
429A41.5Very low47Very low77 Ų77133.3 Ų133.364%0.63681%0.813SS**  9960.989.400000113
430F46.5Very low47.1Very low203 Ų203132.4 Ų132.489%0.8981%0.813SS**  trans-144.784.6154.4-75.5-75.3000109.2
431S44.1Very low47.5Very low122 Ų122130.8 Ų130.885%0.85381%0.814SS**  trans-136100.7163.4-71.80000107.4
432V53.7Low48.2Very low129 Ų129130.1 Ų130.178%0.78281%0.808SS**  trans-76.3123.7174177.30000107.6V434V432-V434 PolarHBondContact O-N 3.23Å
433P59.3Low48.5Very low119 Ų119131.1 Ų131.177%0.77381%0.805SS**  trans-75.2123.6169.427.8-29.2000109.9A435P433-A435 PolarHBondContact O-N 3.03Å
434V57.2Low48.5Very low133 Ų133136.3 Ų136.381%0.80682%0.815SS**  trans-74.5111.8165.91720000107.9V432 R436V432-V434 PolarHBondContact O-N 3.23Å; V434-R436 PolarHBondContact O-N 3.39Å
435A50.1Low48.3Very low94 Ų94135 Ų13578%0.77782%0.816SS**  trans-73.6112.1169.700000109.8P433P433-A435 PolarHBondContact O-N 3.03Å
436R49.7Very low48.6Very low242 Ų242139.9 Ų139.991%0.91382%0.822SS**  trans-94.5105.2160.7-97-178.7140.7179.5-5.2108V434 G438V434-R436 PolarHBondContact O-N 3.39Å; R436-G438 PolarHBondContact O-N 3.16Å
437S46.5Very low47.7Very low122 Ų122134 Ų13485%0.85381%0.811SS**  trans-76.8110165.7-69.60000109.4
438G45.6Very low47.9Very low75 Ų75133.6 Ų133.677%0.77381%0.809SS**PPolyproline II helixtrans-92.4121.9162.300000109.4R436R436-G438 PolarHBondContact O-N 3.16Å
439L48.7Very low47.6Very low177 Ų177136.1 Ų136.193%0.92781%0.808SS**PPolyproline II helixtrans-76.8122.5169.9-108.7113.6000109.2
440A44.8Very low47.7Very low94 Ų94138.1 Ų138.178%0.77781%0.814SS**PPolyproline II helixtrans-78.8128.6174.500000110.8
441G46.5Very low48Very low79 Ų79134.5 Ų134.581%0.81481%0.809SS**PPolyproline II helixtrans-86.9133.9167.100000110.8
442M56Low48Very low159 Ų159134 Ų13478%0.78381%0.805SS**PPolyproline II helixtrans-81.8136.9-172-73171.269.700113.2
443N45.7Very low47.6Very low130 Ų130134.7 Ų134.770%0.69581%0.81SS**  trans66.5113.7135.4-48.4-9.6000119.8
444K46.4Very low47Very low219 Ų219132.8 Ų132.895%0.95281%0.812SS**  -167.3124.7115.7-104.2168.8-176.2-1780111.1
445S40.3Very low46.3Very low110 Ų110136 Ų13677%0.76982%0.817SS**  trans-95.3142.2-179.2500000112
446I48Very low46.3Very low180 Ų180135.2 Ų135.292%0.92382%0.819SS**  trans-171.3131.3152.2-85.2135000102.9
447G40.6Very low45.9Very low60 Ų60131.9 Ų131.962%0.61981%0.811SS**  cis154118.74.400000107.2
448L46.3Very low46.3Very low169 Ų169133.1 Ų133.189%0.88581%0.813SS**  trans66.2127.4154.2-46.6174.6000116.7
449H43.2Very low46.4Very low165 Ų165135.6 Ų135.676%0.76481%0.808SS**  -175.8142.558.9-144.3-86.1000109.7
450P42.6Very low46.5Very low119 Ų119135.5 Ų135.577%0.77381%0.809SS**  trans-127155.7163.336.9-23.5000113.9
451T53.8Low46.3Very low127 Ų127135 Ų13578%0.77981%0.805SS**  trans-148.8117.5165.335.10000105.3
452S42.4Very low46.5Very low111 Ų111141.6 Ų141.678%0.77681%0.811SS**  cis84.712845.9-170.10000114.7
453V45.3Very low46Very low145 Ų145139.7 Ų139.788%0.87981%0.808SS**  trans98.2122.4157.2-162.10000118.3
454G47.4Very low46Very low78 Ų78139.2 Ų139.280%0.80481%0.81SS**  trans17073160.700000114.7
455H42Very low45.7Very low200 Ų200135 Ų13593%0.92680%0.798SS**  trans-71146.9174.3-109-74.3000112.7
456G49.9Very low45.6Very low79 Ų79134.1 Ų134.181%0.81479%0.792SS**  trans-158.9121.4163.900000110.9
457K41.4Very low45.7Very low172 Ų172133.6 Ų133.675%0.74879%0.789SS**  trans-123.4130.2-164.4-176.2-171.6-173.9-171.40107.9
458V56.8Low45.4Very low148 Ų148135.8 Ų135.890%0.89780%0.795SS**  trans-151.9129.1159.4-152.40000110.7
459D45.6Very low45.2Very low126 Ų126132.9 Ų132.967%0.67479%0.788SS**  trans-83.8156.8-178.4-55.9-62.9000112.3
460N51.6Low45.2Very low175 Ų175130.5 Ų130.594%0.93679%0.785SS**  trans-162.9130139.8-114.42.4000112.3
461A40.2Very low45.1Very low83 Ų83133.6 Ų133.669%0.68679%0.789SS**  trans-97.3149.5-179.500000111.4
462F51.1Low44.4Very low218 Ų218131.2 Ų131.296%0.95679%0.79SS**  trans-142.5132.6155.2-120.1-89.7000109.7
463V45.5Very low44.2Very low119 Ų119133.6 Ų133.672%0.72179%0.793SS**  trans-105.4173.8-171.7176.70000108.5
464V45.2Very low44.1Very low120 Ų120134.1 Ų134.173%0.72779%0.789SS**  trans97.4129.3158-175.30000113.2
465D40.9Very low43.7Very low130 Ų130135.6 Ų135.670%0.69579%0.787SS**  cis-165.1157.3-8.7-124.2-42000108.7
466S37.7Very low43.4Very low93 Ų93131.6 Ų131.665%0.6578%0.782SS**  trans40134.5137.6-57.60000120.6
467I50.2Low43.1Very low168 Ų168132.8 Ų132.886%0.86278%0.778SS**  -167.813986.1-73.2141000109.5
468S35.2Very low43.3Very low107 Ų107131.2 Ų131.275%0.74878%0.782SS**  trans-118.7141.3172164.90000109.3
469C42.3Very low42.6Very low108 Ų108127.7 Ų127.773%0.7378%0.776SS**  trans-162.8111.3159.8-95.40000108.1
470T42.4Very low42.8Very low114 Ų114128.5 Ų128.570%0.69979%0.785SS**  57.5139.8100.360.10000114.3
471Q39.6Very low42.5Very low185 Ų185126.4 Ų126.486%0.86479%0.785SS**  cis169.21401.9-179.316717.700102.8
472G40.4Very low42.7Very low77 Ų77127.6 Ų127.679%0.79479%0.788SS**  trans177.994.917900000115
473L38.2Very low42.8Very low161 Ų161126.2 Ų126.284%0.84379%0.785SS**  trans-60.2157.1169.3-61.3159.7000109.7
474I43.2Very low43Very low156 Ų156126.9 Ų126.980%0.879%0.789SS**  17513898.9-77.2150.1000109.6
475S39.2Very low43.5Very low109 Ų109128 Ų12876%0.76279%0.789SS**  trans74.2116.4149.4-66.10000124.5
476S35.5Very low44Very low115 Ų115126.4 Ų126.480%0.80479%0.788SS**  trans-64150.8155.848.10000116.1
477S43Very low44.7Very low105 Ų105127.8 Ų127.873%0.73479%0.793SS**  trans-156.8124.4138.480.20000112.8
478T45.4Very low44.9Very low138 Ų138128.5 Ų128.585%0.84779%0.79SS**  trans28.6123.3139.946.50000118.5
479G41.3Very low46.3Very low75 Ų75130 Ų13077%0.77379%0.79SS**  cis109.586.73800000109.5
480V50.8Low47.5Very low142 Ų142130.3 Ų130.386%0.86179%0.79SS**  trans-139.5121.9164.9-75.70000109.9
481S44.3Very low48.8Very low132 Ų132130.5 Ų130.592%0.92379%0.791SS**  trans-57.4129.3-178-750000112.7
482S46.2Very low50.1Low108 Ų108128.8 Ų128.876%0.75579%0.785SS**  trans-90.8118.2162.3-63.60000109.3T484S482-T484 PolarHBondContact O-N 3.3Å; S482-T484 PolarHBondContact O-OG1 2.75Å
483E52Low51.3Low189 Ų189136.2 Ų136.288%0.88379%0.789SS**  trans-69.5108.1174.9-153.9171.8-161.800108.7I485E483-I485 PolarHBondContact O-N 2.86Å
484T49.6Very low52.7Low133 Ų133138.3 Ų138.382%0.81679%0.786SS**  trans-87.3104.3-177.8-42.20000108.6S482 S486S482-T484 PolarHBondContact O-N 3.3Å; S482-T484 PolarHBondContact O-OG1 2.75Å; T484-S486 PolarHBondContact O-N 3.33Å; T484-S486 VanDerWaalsContact O-N 3.08Å
485I55.2Low53.8Low143 Ų143136.3 Ų136.373%0.73378%0.783SS**  trans-68.4105.5171.7-60.7175000107.9E483 T487E483-I485 PolarHBondContact O-N 2.86Å; I485-T487 HydrophobicContact CG2-CG2 4.09Å; I485-T487 PolarHBondContact O-N 2.83Å
486S51.8Low55.1Low96 Ų96142.1 Ų142.167%0.67179%0.79SS**  trans-70.490.7171.5163.30000110.2T484 K488T484-S486 PolarHBondContact O-N 3.33Å; T484-S486 VanDerWaalsContact O-N 3.08Å; S486-K488 PolarHBondContact O-N 2.84Å
487T52.4Low56.2Low122 Ų122144.6 Ų144.675%0.74879%0.793SS**  trans-86.282.1164.746.10000110I485 D489I485-T487 HydrophobicContact CG2-CG2 4.09Å; I485-T487 PolarHBondContact O-N 2.83Å; T487-D489 VanDerWaalsContact C-N 3.31Å; T487-D489 PolarHBondContact O-N 3.32Å; T487-D489 VanDerWaalsContact O-N 3.11Å
488K55.2Low56.3Low183 Ų183149 Ų14980%0.79681%0.808SS**  trans-71.991.9157.5-85.4177.3175.6173.60107.4S486S486-K488 PolarHBondContact O-N 2.84Å
489D63.7Low56.8Low139 Ų139149.5 Ų149.574%0.74381%0.806SS**SBendtrans174.7118.3139.6-84.9-22.5000108.3T487 V491T487-D489 VanDerWaalsContact C-N 3.31Å; T487-D489 PolarHBondContact O-N 3.32Å; T487-D489 VanDerWaalsContact O-N 3.11Å; D489-V491 PolarHBondContact O-N 2.92Å; D489-V491 VanDerWaalsContact O-N 3.1Å
490P68.6Low57.7Low115 Ų115153.4 Ų153.475%0.74781%0.808SS**  trans-65.4115.9172.726.2-30.5000108.5M492P490-M492 VanDerWaalsContact C-N 3.27Å; P490-M492 PolarHBondContact O-N 2.87Å
491V68Low58Low118 Ų118154.1 Ų154.172%0.71581%0.805SS**  trans-63.392.6168.8176.70000107.8D489 W493D489-V491 PolarHBondContact O-N 2.92Å; D489-V491 VanDerWaalsContact O-N 3.1Å; V491-W493 PolarHBondContact O-N 2.98Å
492M67.9Low58.8Low148 Ų148155.4 Ų155.473%0.72980%0.798SS**  trans-7292.5172.6-76.7-88.8-71.300108.6P490 R494P490-M492 VanDerWaalsContact C-N 3.27Å; P490-M492 PolarHBondContact O-N 2.87Å; M492-R494 PolarHBondContact O-N 2.8Å
493W65.7Low59.6Low233 Ų233158.3 Ų158.388%0.88380%0.801SS**  trans-6298.5165.4-74.292.4000109.1V491 P495V491-W493 PolarHBondContact O-N 2.98Å; W493-P495 WeakPolarHBondContact O-CD 3.4Å
494R68.2Low60.1Low205 Ų205156.3 Ų156.377%0.77480%0.795SS**  trans-80119.1167.1-76.7-171177.4-130.81.5109M492 Y496M492-R494 PolarHBondContact O-N 2.8Å; R494-Y496 PolarHBondContact O-N 2.81Å
495P65.4Low60.9Low115 Ų115157.9 Ų157.975%0.74779%0.794SS**  trans-69.2118165.5-5.322000107.5W493 L497W493-P495 WeakPolarHBondContact O-CD 3.4Å; P495-L497 PolarHBondContact O-N 3.05Å
496Y65.8Low61.3Low231 Ų231159.1 Ų159.191%0.90680%0.799SS**  trans-63.699.5169.4-81.3-90000109.3R494R494-Y496 PolarHBondContact O-N 2.81Å
497L59.3Low62.1Low167 Ų167164.3 Ų164.387%0.87481%0.809SS**  trans-89.799.2158-80.7166.8000107.7P495P495-L497 PolarHBondContact O-N 3.05Å
498D45.1Very low63Low196 Ų196168.2 Ų168.2100%1.04882%0.815SS**  trans-163.30146.2-129.44000109.9K68K68-D498 PolarHBondContact NZ-O 2.74Å; K68-D498 PolarHBondContact NZ-OXT 2.89Å

Retrieved 498 of 498 residues in 297.7 ms (Link to these results)