A0A077ZGI3_TRITR Loading...

BAT2 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low51.1Low232 Ų232142.9 Ų142.9100%1.14384%0.844SS**  0130.80-68164.872.300107.1
2S55.4Low50.9Low123 Ų123146.8 Ų146.886%0.8684%0.843SS**  trans69.8109.3172.3-34.60000115
3G42.9Very low49.8Very low64 Ų64144 Ų14466%0.6684%0.837SS**  cis87.2121.721.300000111.1
4L58.1Low48.9Very low179 Ų179138.8 Ų138.894%0.93783%0.829SS**  trans83.9144.5161.7-45172.1000115.8
5S54Low48.2Very low110 Ų110136.3 Ų136.377%0.76982%0.821SS**  cis169.5137.2-10.41710000105.7
6G53.5Low48.3Very low69 Ų69140.1 Ų140.171%0.71183%0.828SS**  trans74.9148.2164.900000115
7K57.6Low48.1Very low199 Ų199138.7 Ų138.787%0.86582%0.821SS**  cis-160.2155.737.9-69.2-171.1171-179.70111.3
8S54.9Low47.8Very low109 Ų109134.8 Ų134.876%0.76281%0.814SS**  trans61.399154.3590000118.8L10S8-L10 PolarHBondContact O-N 3.44Å
9V50.3Low47.8Very low153 Ų153133.8 Ų133.893%0.92781%0.814SS**  trans-73.5104.7152.8171.60000107.5
10L51.8Low47.6Very low158 Ų158139.3 Ų139.383%0.82782%0.819SS**  trans-60.2135172.5-175.166.9000110.4S8S8-L10 PolarHBondContact O-N 3.44Å
11E37.4Very low48Very low176 Ų176138.1 Ų138.182%0.82282%0.819SS**  trans-53.8173.4165.9-70-171.9133.800112.3
12K48.9Very low48.7Very low190 Ų190135.6 Ų135.683%0.82680%0.801SS**  trans113.696.7146.3-149.5158.8-174.1174.10114.5
13S36.7Very low49.7Very low110 Ų110139.5 Ų139.577%0.76980%0.803SS**  trans27.8107.5137.761.80000116.9
14G37.1Very low51.3Low71 Ų71145.5 Ų145.573%0.73281%0.806SS**  trans158.4113.716400000113.6
15S38.5Very low52.4Low101 Ų101143.2 Ų143.271%0.70680%0.799SS**  trans53.787134.5-165.90000117.3T17S15-T17 VanDerWaalsContact C-N 3.27Å; S15-T17 PolarHBondContact O-N 3.39Å
16Q48.7Very low53.7Low198 Ų198143.1 Ų143.193%0.92579%0.79SS**  trans-72.489.1156.1-96.4-167.6-9.400109.8
17T45.3Very low55Low116 Ų116144 Ų14471%0.71278%0.778SS**  trans-71.5131153.849.40000109.5S15S15-T17 VanDerWaalsContact C-N 3.27Å; S15-T17 PolarHBondContact O-N 3.39Å
18G43.2Very low56.4Low68 Ų68139.9 Ų139.970%0.70177%0.765SS**SBendtrans90.8118.4151.700000118.6
19S47.3Very low57.8Low116 Ų116140.2 Ų140.281%0.81176%0.757SS**SBendtrans86.7107.6153.8820000119.7
20R44.5Very low59.1Low243 Ų243134.6 Ų134.692%0.91773%0.725SS**  trans44.269.3154.5-55.7-174.3-154.8151.15.4117.9
21S56Low60.4Low115 Ų115130.9 Ų130.980%0.80471%0.709SS**  trans-99.2121172.2-160.90000112.7
22K60.9Low62.1Low179 Ų179132 Ų13278%0.77871%0.707SS**  trans-71.4155-177.9-58.6158.9-174.5172.60109.2R24K22-R24 PolarHBondContact O-N 3.44Å
23F76.6Confident63.5Low206 Ų206126.5 Ų126.590%0.90469%0.693SS**  trans-6.5116.7-179.9-55.7-78.1000116.6T25F23-T25 PolarHBondContact O-N 3.37Å
24R76.9Confident65Low190 Ų190124.3 Ų124.372%0.71769%0.687SS**  trans-69.7112.2171.4-161-159.2-160.5-87.85.5108.9K22 L26K22-R24 PolarHBondContact O-N 3.44Å; R24-L26 PolarHBondContact O-N 3.2Å
25T79.7Confident66.2Low130 Ų130128.3 Ų128.380%0.79868%0.684SS**  trans-61.4125.7170.4-48.60000109.3F23F23-T25 PolarHBondContact O-N 3.37Å
26L81.3Confident67Low108 Ų108127.3 Ų127.357%0.56568%0.677SS**  trans-105.5129.8175.7-177.165.9000108.6R24 V31R24-L26 PolarHBondContact O-N 3.2Å; L26-V31 HydrophobicContact CD1-CG2 3.86Å; L26-V31 HydrophobicContact CD2-CG2 3.64Å; L26-V31 HydrophobicContact CG-CG2 3.76Å
27N82.4Confident67.5Low87 Ų87123.2 Ų123.247%0.46566%0.661SS.*  trans-86.2120.4172.7-178.4-23.9000109.3N29 S30 V31N27-N29 VanDerWaalsContact C-N 3.27Å; N27-N29 PolarHBondContact O-N 3.49Å; N27-N29 VanDerWaalsContact OD1-CB 3.28Å; N27-N29 WeakPolarHBondContact OD1-CB 3.48Å; N27-N29 PolarHBondContact OD1-N 3.47Å; N27-S30 WeakPolarHBondContact CB-OG 3.49Å; N27-S30 WeakPolarHBondContact O-CB 3.36Å; N27-S30 PolarHBondContact O-N 2.66Å; N27-S30 VanDerWaalsContact O-N 3.11Å; N27-V31 PolarHBondContact O-N 3.07Å
28I85.3Confident68.2Low114 Ų114124.8 Ų124.859%0.58566%0.664SS**Hα-helixtrans-60.3-37.9-178.2-59.4173.1000111.1S30 V31 Y32I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 2.69Å; I28-V31 PolarHBondContact O-N 2.63Å; I28-Y32 HydrophobicContact CG2-CD2 3.6Å; I28-Y32 HydrophobicContact CG2-CE2 3.43Å; I28-Y32 VanDerWaalsContact CG2-CE2 3.43Å; I28-Y32 VanDerWaalsContact O-CD2 3.31Å; I28-Y32 WeakPolarHBondContact O-CD2 3.21Å; I28-Y32 PolarHBondContact O-N 3.49Å
29N85.7Confident68.5Low115 Ų115126.9 Ų126.962%0.61567%0.668SS**Hα-helixtrans-62.7-37.1178.2-60.1-20000110.8N27 V31 S33N27-N29 VanDerWaalsContact C-N 3.27Å; N27-N29 PolarHBondContact O-N 3.49Å; N27-N29 VanDerWaalsContact OD1-CB 3.28Å; N27-N29 WeakPolarHBondContact OD1-CB 3.48Å; N27-N29 PolarHBondContact OD1-N 3.47Å; N29-V31 VanDerWaalsContact C-N 3.33Å; N29-V31 PolarHBondContact O-N 2.58Å; N29-S33 WeakPolarHBondContact O-CB 3.37Å; N29-S33 PolarHBondContact O-N 3.47Å; N29-S33 PolarHBondContact O-OG 2.91Å
30S76.7Confident68.6Low35 Ų35126.7 Ų126.725%0.24567%0.667CS.*Hα-helixtrans-67-33178.9-48.60000112.9N27 I28N27-S30 WeakPolarHBondContact CB-OG 3.49Å; N27-S30 WeakPolarHBondContact O-CB 3.36Å; N27-S30 PolarHBondContact O-N 2.66Å; N27-S30 VanDerWaalsContact O-N 3.11Å; I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 2.69Å
31V79.7Confident68.9Low80 Ų80126.4 Ų126.449%0.48567%0.666SS.*Hα-helixtrans-69.6-49.9178-1800000110.5L26 N27 I28 N29 S33 G34L26-V31 HydrophobicContact CD1-CG2 3.86Å; L26-V31 HydrophobicContact CD2-CG2 3.64Å; L26-V31 HydrophobicContact CG-CG2 3.76Å; N27-V31 PolarHBondContact O-N 3.07Å; I28-V31 PolarHBondContact O-N 2.63Å; N29-V31 VanDerWaalsContact C-N 3.33Å; N29-V31 PolarHBondContact O-N 2.58Å; V31-S33 VanDerWaalsContact C-N 3.33Å; V31-S33 PolarHBondContact O-N 3.36Å; V31-G34 PolarHBondContact O-N 2.92Å
32Y73.9Confident68.7Low200 Ų200126 Ų12678%0.78466%0.663SS**Hα-helixtrans-74.3-22-179.4-69-67.2000113.4I28 G34I28-Y32 HydrophobicContact CG2-CD2 3.6Å; I28-Y32 HydrophobicContact CG2-CE2 3.43Å; I28-Y32 VanDerWaalsContact CG2-CE2 3.43Å; I28-Y32 VanDerWaalsContact O-CD2 3.31Å; I28-Y32 WeakPolarHBondContact O-CD2 3.21Å; I28-Y32 PolarHBondContact O-N 3.49Å; Y32-G34 PolarHBondContact O-N 3.13Å
33S77.4Confident68.3Low75 Ų75125.5 Ų125.552%0.52467%0.669SS.*THydrogen-bonded Turntrans-74.8-1.4173.9-57.90000114N29 V31 K35N29-S33 WeakPolarHBondContact O-CB 3.37Å; N29-S33 PolarHBondContact O-N 3.47Å; N29-S33 PolarHBondContact O-OG 2.91Å; V31-S33 VanDerWaalsContact C-N 3.33Å; V31-S33 PolarHBondContact O-N 3.36Å; S33-K35 PolarHBondContact O-N 3.47Å; S33-K35 VanDerWaalsContact O-N 3.07Å
34G67.5Low67.2Low63 Ų63121.3 Ų121.365%0.64966%0.66SS**THydrogen-bonded Turntrans68.26.3-179.400000114.7V31 Y32 S36V31-G34 PolarHBondContact O-N 2.92Å; Y32-G34 PolarHBondContact O-N 3.13Å; G34-S36 PolarHBondContact O-N 2.9Å
35K63.7Low65.9Low155 Ų155118 Ų11867%0.67467%0.666SS**  trans-7970.5174.1-63.1176.1-169.3-770108S33 L37S33-K35 PolarHBondContact O-N 3.47Å; S33-K35 VanDerWaalsContact O-N 3.07Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-L37 VanDerWaalsContact O-N 3.08Å
36S54.1Low64.6Low80 Ų80115.3 Ų115.356%0.55965%0.652SS**  trans-54113.4178-179.20000110.1G34 L38G34-S36 PolarHBondContact O-N 2.9Å; S36-L38 PolarHBondContact O-N 2.94Å; S36-L38 WeakPolarHBondContact OG-CB 3.35Å; S36-L38 WeakPolarHBondContact OG-CD1 3.28Å; S36-L38 PolarHBondContact OG-N 3.07Å
37L59Low63.3Low113 Ų113120.3 Ų120.359%0.59267%0.67SS**  trans-80.712.3169.8-68174.2000112.1K35 S39K35-L37 PolarHBondContact O-N 2.99Å; K35-L37 VanDerWaalsContact O-N 3.08Å; L37-S39 PolarHBondContact O-N 3.13Å; L37-S39 VanDerWaalsContact O-N 3.13Å
38L59.9Low61.8Low148 Ų148125.8 Ų125.878%0.77569%0.692SS**  trans-78.995.5173.5-65.3152000107.5S36 S40S36-L38 PolarHBondContact O-N 2.94Å; S36-L38 WeakPolarHBondContact OG-CB 3.35Å; S36-L38 WeakPolarHBondContact OG-CD1 3.28Å; S36-L38 PolarHBondContact OG-N 3.07Å; L38-S40 PolarHBondContact O-N 3.46Å
39S50.8Low60.6Low112 Ų112122.2 Ų122.278%0.78368%0.684SS**  trans-50108.4165.1-81.50000109.3L37 R41L37-S39 PolarHBondContact O-N 3.13Å; L37-S39 VanDerWaalsContact O-N 3.13Å; S39-R41 PolarHBondContact O-N 2.65Å
40S49.2Very low59.8Low112 Ų112125.3 Ų125.378%0.78370%0.699SS**SBendtrans-48.399.1158.9157.40000108.8L38L38-S40 PolarHBondContact O-N 3.46Å
41R50.5Low59.5Low237 Ų237131.3 Ų131.389%0.89472%0.723SS**  trans176.892.6162.2-101.9178.5-82.7-171.1-2.1110.3S39S39-R41 PolarHBondContact O-N 2.65Å
42S51.9Low58.9Low107 Ų107132.6 Ų132.675%0.74874%0.736SS**  trans-149.668.1160.269.90000111.8
43N51.3Low58.2Low169 Ų169130.2 Ų130.290%0.90474%0.736SS**  trans-85.490.9149.9-89.1-0.9000106.5
44V53.9Low57.1Low118 Ų118129.6 Ų129.672%0.71574%0.741SS**  trans-163.5124.9165.9-95.50000110.1S46V44-S46 PolarHBondContact O-N 2.85Å
45S49.3Very low56.7Low120 Ų120136.6 Ų136.684%0.83975%0.754SS**  trans-47.7130.5169.757.20000112
46S53.7Low56.4Low73 Ų73132.6 Ų132.651%0.5175%0.75SS.*  trans-144.5104.4166.5-64.70000105.4V44 H48 G49V44-S46 PolarHBondContact O-N 2.85Å; S46-H48 PolarHBondContact O-N 3.36Å; S46-H48 VanDerWaalsContact O-N 3.13Å; S46-G49 PolarHBondContact O-N 3.42Å; S46-G49 VanDerWaalsContact O-N 3.07Å
47K54.3Low56.3Low214 Ų214135.8 Ų135.893%0.9377%0.766SS**THydrogen-bonded Turn23.570.985.7-84.6-175.2172.1-178.30109.6G49K47-G49 PolarHBondContact O-N 3.44Å
48H50.7Low56Low201 Ų201133.6 Ų133.693%0.93176%0.764SS**THydrogen-bonded Turntrans58.339.9-179.4-65.3-75.7000117.1S46S46-H48 PolarHBondContact O-N 3.36Å; S46-H48 VanDerWaalsContact O-N 3.13Å
49G58.5Low55.6Low40 Ų40134.2 Ų134.241%0.41277%0.767SS.*  trans-80.5138.8164.400000110.9S46 K47 Q51S46-G49 PolarHBondContact O-N 3.42Å; S46-G49 VanDerWaalsContact O-N 3.07Å; K47-G49 PolarHBondContact O-N 3.44Å; G49-Q51 PolarHBondContact O-N 3.07Å
50L69.9Low55.9Low179 Ų179132 Ų13294%0.93776%0.756SS**  trans-42.5112.3174.6-71.7166.1000110S52L50-S52 PolarHBondContact O-N 2.86Å
51Q70.8Confident56.5Low161 Ų161137.5 Ų137.575%0.75276%0.759SS**  trans-61.3104.6178.5-178.5179.5-36.200107.4G49 L53G49-Q51 PolarHBondContact O-N 3.07Å; Q51-L53 PolarHBondContact O-N 3.08Å
52S67.4Low57.7Low108 Ų108137.1 Ų137.176%0.75576%0.758SS**  trans-55.9110.9164.538.30000106.2L50 G54L50-S52 PolarHBondContact O-N 2.86Å; S52-G54 PolarHBondContact O-N 3.35Å
53L57.5Low59Low149 Ų149140 Ų14078%0.7876%0.761SS**  trans-65.768.2172.2-65172.6000108Q51 K55Q51-L53 PolarHBondContact O-N 3.08Å; L53-K55 PolarHBondContact O-N 3.34Å; L53-K55 VanDerWaalsContact O-N 3.13Å
54G54.7Low60.5Low62 Ų62136.6 Ų136.664%0.63975%0.748SS**  trans-70108174.800000107.1S52 A56S52-G54 PolarHBondContact O-N 3.35Å; G54-A56 PolarHBondContact O-N 3.02Å
55K60.8Low62Low210 Ų210136.4 Ų136.491%0.91375%0.75SS**SBendtrans24.248.6168.7-68.8178.1176.6178.10114L53 T57L53-K55 PolarHBondContact O-N 3.34Å; L53-K55 VanDerWaalsContact O-N 3.13Å; K55-T57 PolarHBondContact O-N 3.13Å
56A56.4Low63.7Low72 Ų72136.8 Ų136.860%0.59575%0.749SS**  trans-61.7137.2160.400000103.1G54 A58G54-A56 PolarHBondContact O-N 3.02Å; A56-A58 PolarHBondContact O-N 3.26Å
57T52.3Low65.2Low146 Ų146137 Ų13790%0.89676%0.755SS**  trans-57.176159-530000105.8K55 I59K55-T57 PolarHBondContact O-N 3.13Å; T57-I59 PolarHBondContact O-N 3.39Å; T57-I59 VanDerWaalsContact O-N 3.07Å
58A53.5Low66.7Low67 Ų67134.7 Ų134.755%0.55475%0.753SS**  trans-55126.3167.300000100.8A56 A60A56-A58 PolarHBondContact O-N 3.26Å; A58-A60 HydrophobicContact CB-CB 4.09Å; A58-A60 PolarHBondContact O-N 3.35Å
59I50.7Low68.3Low161 Ų161131.1 Ų131.183%0.82674%0.74SS**  trans-56.274.4136.8-62.5163000104T57 R61T57-I59 PolarHBondContact O-N 3.39Å; T57-I59 VanDerWaalsContact O-N 3.07Å; I59-R61 PolarHBondContact O-N 3.39Å
60A55.9Low69.1Low67 Ų67133.7 Ų133.755%0.55475%0.75SS**  trans-64.395.9162.70000098.7A58 R62A58-A60 HydrophobicContact CB-CB 4.09Å; A58-A60 PolarHBondContact O-N 3.35Å; A60-R62 PolarHBondContact O-N 3.18Å
61R62.8Low69.3Low226 Ų226129 Ų12985%0.85373%0.732SS**  trans-49.694.4159.5-74.1-179.3149.9138.2-4103.2I59 M63I59-R61 PolarHBondContact O-N 3.39Å; R61-M63 PolarHBondContact O-N 3.49Å
62R74.5Confident69Low230 Ų230128 Ų12887%0.86873%0.731SS**PPolyproline II helixtrans-52.9122.6178-75.8-178.4160.4-148.9-3.7102.4A60 P64A60-R62 PolarHBondContact O-N 3.18Å; R62-P64 VanDerWaalsContact O-N 3.15Å
63M80.7Confident68.7Low166 Ų166131.5 Ų131.582%0.81873%0.733SS**PPolyproline II helixtrans-47.1131174.2-74.4-67-66.900106.4R61R61-M63 PolarHBondContact O-N 3.49Å
64P82.3Confident69Low98 Ų98128 Ų12864%0.63672%0.721SS**PPolyproline II helixtrans-52.1144.9174.823.1-32.2000108R62R62-P64 VanDerWaalsContact O-N 3.15Å
65P85.5Confident69.6Low115 Ų115131.1 Ų131.175%0.74772%0.719SS**PPolyproline II helixtrans-51.3137.8177.322.1-32.3000109.3A67P65-A67 PolarHBondContact O-N 3.1Å
66P84.7Confident69.6Low127 Ų127124.7 Ų124.783%0.82570%0.7SS**PPolyproline II helixtrans-52.4130.7174.9-25.433.7000110.1N68P66-N68 PolarHBondContact O-N 2.97Å
67A86.3Confident69.8Low77 Ų77125.5 Ų125.564%0.63671%0.707SS**PPolyproline II helixtrans-61.8137.6175.600000109.8P65 L69P65-A67 PolarHBondContact O-N 3.1Å; A67-L69 HydrophobicContact CB-CD2 4.12Å; A67-L69 HydrophobicContact CB-CG 4.24Å; A67-L69 PolarHBondContact O-N 3.48Å; A67-L69 VanDerWaalsContact O-N 3.12Å
68N85.4Confident70.3Confident167 Ų167121.8 Ų121.889%0.89370%0.698SS**  trans-80.490.1170.3-166.3-3.4000108.1P66P66-N68 PolarHBondContact O-N 2.97Å
69L83.1Confident71Confident126 Ų126123.2 Ų123.266%0.6669%0.693SS**PPolyproline II helixtrans-85142.1177-60.8178.6000109.4A67 S71A67-L69 HydrophobicContact CB-CD2 4.12Å; A67-L69 HydrophobicContact CB-CG 4.24Å; A67-L69 PolarHBondContact O-N 3.48Å; A67-L69 VanDerWaalsContact O-N 3.12Å; L69-S71 PolarHBondContact O-N 3.28Å
70P76.7Confident72Confident94 Ų94119.6 Ų119.661%0.6168%0.675SS**PPolyproline II helixtrans-53.3128.2168.924.7-32.7000108
71S72.5Confident72.7Confident81 Ų81122.9 Ų122.957%0.56669%0.691SS**PPolyproline II helixtrans-63145.2179-70.40000109L69 K73 S74 E75L69-S71 PolarHBondContact O-N 3.28Å; S71-K73 PolarHBondContact O-N 2.94Å; S71-S74 PolarHBondContact N-OG 3.24Å; S71-S74 PolarHBondContact O-N 3.47Å; S71-S74 PolarHBondContact O-OG 3.21Å; S71-E75 PolarHBondContact O-N 3.34Å
72L65Low73Confident140 Ų140116 Ų11673%0.73368%0.683SS**Hα-helixtrans-52.4-24177.2-157.281.2000113.1S76L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 2.59Å; L72-S76 PolarHBondContact O-OG 3.19Å
73K61.5Low72.7Confident181 Ų181109.2 Ų109.279%0.78767%0.666SS**Hα-helixtrans-71.5-26.6174.9-63.9179.3177.8177.80114.1S71S71-K73 PolarHBondContact O-N 2.94Å
74S64.4Low72Confident76 Ų76105.5 Ų105.553%0.53166%0.656SS.*Hα-helixtrans-84-24.2173.251.50000113.1S71S71-S74 PolarHBondContact N-OG 3.24Å; S71-S74 PolarHBondContact O-N 3.47Å; S71-S74 PolarHBondContact O-OG 3.21Å
75E66.1Low71.5Confident127 Ų127106.6 Ų106.659%0.59366%0.656SS**Hα-helixtrans-81.5-27.5176.9-171178.2167.300112.5S71S71-E75 PolarHBondContact O-N 3.34Å
76S60.8Low70.7Confident75 Ų75104.4 Ų104.452%0.52464%0.64SS.*SBendtrans-92.4-8.3-178.849.50000114.6L72 G78L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 2.59Å; L72-S76 PolarHBondContact O-OG 3.19Å; S76-G78 PolarHBondContact O-N 3.41Å; S76-G78 VanDerWaalsContact O-N 3.11Å
77A61.2Low70Confident89 Ų89102.6 Ų102.674%0.73663%0.629SS**THydrogen-bonded Turntrans-754.1-175.200000115
78G62.9Low68.9Low68 Ų68105 Ų10570%0.70164%0.641SS**THydrogen-bonded Turntrans-151.214178.100000113.9S76 D80S76-G78 PolarHBondContact O-N 3.41Å; S76-G78 VanDerWaalsContact O-N 3.11Å; G78-D80 VanDerWaalsContact C-N 3.33Å; G78-D80 PolarHBondContact O-N 3.03Å
79Q67.9Low67.8Low97 Ų97100.8 Ų100.845%0.45364%0.637SS.*  trans-80.489172-73.1-62.60.700109P81 I85Q79-P81 WeakPolarHBondContact O-CD 3.35Å; Q79-I85 HydrophobicContact CG-CD1 4.41Å
80D72.1Confident66.4Low85 Ų8599.2 Ų99.246%0.45563%0.632SS.*  trans-60.7118.8170.9-176.9-6.4000108.6G78 A82 V83G78-D80 VanDerWaalsContact C-N 3.33Å; G78-D80 PolarHBondContact O-N 3.03Å; D80-A82 PolarHBondContact O-N 3.48Å; D80-A82 VanDerWaalsContact OD1-CB 3.23Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 3.05Å; D80-V83 HydrophobicContact CB-CB 4.29Å; D80-V83 HydrophobicContact CB-CG2 3.87Å; D80-V83 PolarHBondContact O-N 3.26Å
81P69.6Low65.3Low135 Ų135100.6 Ų100.688%0.87764%0.644SS**THydrogen-bonded Turntrans-60.2-13.9175.925.1-34000113.3Q79Q79-P81 WeakPolarHBondContact O-CD 3.35Å
82A70.6Confident64.3Low83 Ų8398.7 Ų98.769%0.68664%0.637SS**THydrogen-bonded Turntrans-80.9-14.6171.600000113.8D80D80-A82 PolarHBondContact O-N 3.48Å; D80-A82 VanDerWaalsContact OD1-CB 3.23Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 3.05Å
83V67.8Low63.9Low87 Ų87105 Ų10553%0.52765%0.652SS.*SBendtrans-97.7100.7177.9179.70000108.8D80 I85D80-V83 HydrophobicContact CB-CB 4.29Å; D80-V83 HydrophobicContact CB-CG2 3.87Å; D80-V83 PolarHBondContact O-N 3.26Å; V83-I85 PolarHBondContact O-N 3.26Å
84S65.9Low63.6Low87 Ų8799.9 Ų99.961%0.60865%0.65SS**  trans-69102170.6-168.90000109.4V86S84-V86 PolarHBondContact O-N 3.14Å; S84-V86 PolarHBondContact OG-O 3.44Å
85I72.4Confident62.6Low121 Ų121101.3 Ų101.362%0.62166%0.66SS**SBendtrans-66.3-27.2171.2-40.3167.3000110.3Q79 V83Q79-I85 HydrophobicContact CG-CD1 4.41Å; V83-I85 PolarHBondContact O-N 3.26Å
86V67.9Low61.7Low70 Ų70103.7 Ų103.742%0.42467%0.671SS.*SBendtrans-79.3126.4174-175.80000107.4S84 S88 V90S84-V86 PolarHBondContact O-N 3.14Å; S84-V86 PolarHBondContact OG-O 3.44Å; V86-S88 PolarHBondContact O-N 3.33Å; V86-V90 WeakPolarHBondContact CG1-O 3.41Å
87P69.5Low60.7Low89 Ų89109 Ų10958%0.57869%0.687SS**  trans-58131.3173.4-12.322.7000108.8G89 V90P87-G89 VanDerWaalsContact C-N 3.28Å; P87-G89 PolarHBondContact O-N 3.15Å; P87-V90 HydrophobicContact CB-CG2 3.86Å; P87-V90 HydrophobicContact CG-CG2 3.92Å; P87-V90 PolarHBondContact O-N 3.42Å; P87-V90 VanDerWaalsContact O-N 3.1Å
88S63.4Low60.1Low127 Ų127109.2 Ų109.289%0.88869%0.689SS**THydrogen-bonded Turntrans-6288179.453.80000109.7V86V86-S88 PolarHBondContact O-N 3.33Å
89G62.4Low59.3Low79 Ų79112.9 Ų112.981%0.81469%0.693SS**THydrogen-bonded Turntrans146.2-9.9-174.900000115.6P87P87-G89 VanDerWaalsContact C-N 3.28Å; P87-G89 PolarHBondContact O-N 3.15Å
90V53.7Low58.1Low92 Ų92114.4 Ų114.456%0.55871%0.711SS**  trans-109112179.9-149.90000110.6V86 P87 G92V86-V90 WeakPolarHBondContact CG1-O 3.41Å; P87-V90 HydrophobicContact CB-CG2 3.86Å; P87-V90 HydrophobicContact CG-CG2 3.92Å; P87-V90 PolarHBondContact O-N 3.42Å; P87-V90 VanDerWaalsContact O-N 3.1Å; V90-G92 PolarHBondContact O-N 3.28Å
91S54.6Low56.5Low124 Ų124115.8 Ų115.887%0.86772%0.723SS**  trans-77.5112.1172.7-174.90000109.7
92G49.9Very low55.2Low41 Ų41118.1 Ų118.142%0.42372%0.719SS.*  trans156.6111.2176.800000108.5V90V90-G92 PolarHBondContact O-N 3.28Å
93W57.6Low53.7Low273 Ų273121.6 Ų121.6100%1.03473%0.726SS**SBend-145.622.271.9-75.789.2000113.8
94G54.8Low52.2Low72 Ų72121.8 Ų121.874%0.74274%0.737SS**  trans-171.789.2-176.700000111.1Q96G94-Q96 PolarHBondContact O-N 3.19Å
95S44.2Very low51.1Low106 Ų106122.6 Ų122.674%0.74174%0.74SS**  trans-65.2126.9175.3-5.50000110.4
96Q47.1Very low49.5Very low177 Ų177124.4 Ų124.483%0.82775%0.75SS**  trans-131.5121.4140-74.4-67.510.900107.7G94 A98G94-Q96 PolarHBondContact O-N 3.19Å; Q96-A98 PolarHBondContact O-N 3.5Å
97Q39.2Very low48.1Very low187 Ų187127.7 Ų127.787%0.87477%0.771SS**  trans-56.2123.4174.5-68.8156-24.400108.6
98A47.7Very low46.7Very low94 Ų94130.5 Ų130.578%0.77779%0.786SS**  trans-115.7120.3165.100000107.4Q96Q96-A98 PolarHBondContact O-N 3.5Å
99D46.3Very low45.5Very low144 Ų144127.2 Ų127.277%0.7777%0.772SS**  trans-50.3136.4-172-61-72.1000114T101D99-T101 PolarHBondContact O-N 3.24Å; D99-T101 VanDerWaalsContact O-N 3.11Å
100P42.8Very low44.3Very low129 Ų129132.5 Ų132.584%0.83878%0.776SS**  trans-86.384.2176.534.7-30000109
101T38.8Very low43.5Very low115 Ų115139.7 Ų139.771%0.70679%0.793SS**  trans-137.8126.9160.562.80000111.5D99D99-T101 PolarHBondContact O-N 3.24Å; D99-T101 VanDerWaalsContact O-N 3.11Å
102K42.7Very low42.8Very low183 Ų183137.9 Ų137.980%0.79679%0.785SS**SBendtrans97.186.7164.9-54.8179.3-176.2175.80117.1
103N38.8Very low42.5Very low157 Ų157141.4 Ų141.484%0.8480%0.8SS**  70.9102.9126.4-54.10.9000118.5
104A35.9Very low41.8Very low91 Ų91138.2 Ų138.275%0.75280%0.797SS**  trans-72.6179.2153.100000110.4
105P42.4Very low41.2Very low104 Ų104140.1 Ų140.168%0.67580%0.799SS**  cis-142.9178.21.146.8-29.3000114.6
106L39.1Very low41.4Very low159 Ų159140.5 Ų140.583%0.83280%0.799SS**  trans59.5129157.5-45.3174.7000118.9
107T40.3Very low41.4Very low139 Ų139137.4 Ų137.485%0.85379%0.794SS**  165.7117.5123-70.50000111.5
108V38.8Very low41.8Very low147 Ų147138.3 Ų138.389%0.89180%0.796SS**  trans-61.2130159.3167.40000109
109G39.1Very low42.1Very low59 Ų59139.5 Ų139.561%0.60880%0.796SS**  trans154.896.6165.300000116.4
110Q35.7Very low42.4Very low190 Ų190137.4 Ų137.489%0.88879%0.79SS**  42.7121.7126.9-70177.2-42.300120.2
111R38.5Very low42.6Very low243 Ų243137.1 Ų137.192%0.91779%0.786SS**  123.4107.9121.9-157.2176.2-102.6-162.4-4.1114.1
112A38.5Very low43Very low85 Ų85142.4 Ų142.470%0.70279%0.794SS**  trans-74.7-167.5165.900000110.9
113P43.9Very low43.1Very low115 Ų115138.9 Ų138.975%0.74779%0.788SS**  cis-138.1136.6-18.332.6-14000113.4
114Q43.7Very low43.2Very low206 Ų206140.5 Ų140.596%0.96379%0.793SS**  trans-149.3103.7164.6-61.5-171.860.800112.2
115S41.4Very low43.4Very low112 Ų112147.1 Ų147.178%0.78380%0.799SS**  trans-78.4175.215756.90000110.1
116P49.4Very low43.3Very low115 Ų115149.2 Ų149.275%0.74780%0.804SS**  cis-141.4-151.313.740.2-15.6000111.1
117P47.4Very low43.7Very low111 Ų111146.3 Ų146.372%0.72180%0.803SS**  cis-127.1164.1-8.338.1-18.8000115.5
118F46.3Very low44.2Very low207 Ų207147 Ų14791%0.90880%0.797SS**  trans-58.1153.1177.3-61.4-87.1000113.9
119P55.6Low45.1Very low119 Ų119145.2 Ų145.277%0.77379%0.788SS**  -140.7175.4129.542.5-29.8000112.9
120P51.6Low45.6Very low99 Ų99146.9 Ų146.964%0.64379%0.788SS**  -87162-102.826.5-6.5000114.9Y122P120-Y122 PolarHBondContact O-N 3.45Å
121T48Very low45.9Very low124 Ų124146.6 Ų146.676%0.76178%0.784SS**  trans-37.8120.8163.3460000114.2T123T121-T123 PolarHBondContact O-N 3.11Å; T121-T123 VanDerWaalsContact O-N 3.15Å
122Y46.3Very low46.2Very low225 Ų225142.8 Ų142.888%0.88278%0.782SS**  trans-77.992.9156.4-60.2-79.7000107.9P120 M124P120-Y122 PolarHBondContact O-N 3.45Å; Y122-M124 PolarHBondContact O-N 3.34Å
123T45.6Very low46.4Very low109 Ų109142.9 Ų142.967%0.66978%0.783SS**  trans-60.1121.1165.950.70000108.6T121 R125T121-T123 PolarHBondContact O-N 3.11Å; T121-T123 VanDerWaalsContact O-N 3.15Å; T123-R125 VanDerWaalsContact C-N 3.27Å; T123-R125 PolarHBondContact O-N 2.86Å
124M41.1Very low46.2Very low191 Ų191143 Ų14394%0.94179%0.787SS**  trans-57.591.6164.3-76.8-76.8168.700108.4Y122 N126Y122-M124 PolarHBondContact O-N 3.34Å; M124-N126 PolarHBondContact O-N 3.3Å
125R39.3Very low46.2Very low230 Ų230139.2 Ų139.287%0.86878%0.78SS**  trans-86103.4176.6-149.8178.8-144.7-173.36.1107.4T123 A127T123-R125 VanDerWaalsContact C-N 3.27Å; T123-R125 PolarHBondContact O-N 2.86Å; R125-A127 PolarHBondContact O-N 3.37Å
126N39.7Very low46.1Very low148 Ų148136.1 Ų136.179%0.79177%0.766SS**  trans-37.2101.6158.6-99.419.8000110M124 Q128M124-N126 PolarHBondContact O-N 3.3Å; N126-Q128 PolarHBondContact O-N 3.5Å
127A47.6Very low46Very low98 Ų98141 Ų14181%0.8177%0.771SS**  trans-95.578.2166.200000107.5R125R125-A127 PolarHBondContact O-N 3.37Å
128Q50.6Low45.8Very low154 Ų154144.6 Ų144.672%0.7278%0.777SS**PPolyproline II helixtrans-63.3125.3168-163.7170.4-18.800108.1N126N126-Q128 PolarHBondContact O-N 3.5Å
129P58.9Low45.5Very low110 Ų110143.6 Ų143.671%0.71478%0.776SS**PPolyproline II helixtrans-69.2140.4169.326.5-29.9000109.4F131P129-F131 PolarHBondContact O-N 3.17Å
130P49.8Very low44.7Very low93 Ų93144.3 Ų144.360%0.60478%0.778SS**PPolyproline II helixtrans-64.8124-17726.3-32.6000110.7N132P130-N132 PolarHBondContact O-N 3.12Å
131F41.1Very low44.3Very low185 Ų185144.3 Ų144.381%0.81178%0.781SS**  trans1105.7142.725.9-91.6000114.6P129P129-F131 PolarHBondContact O-N 3.17Å
132N44.7Very low44.2Very low163 Ų163145.4 Ų145.487%0.87278%0.782SS**  trans-122.1129148.4-160.811.3000108.8P130P130-N132 PolarHBondContact O-N 3.12Å
133A43Very low44.2Very low86 Ų86144.6 Ų144.671%0.71178%0.778SS**  trans-78.7133.3-163.500000112.7
134S39.7Very low44.9Very low119 Ų119145 Ų14583%0.83278%0.783SS**  172154127.6-94.50000113.1
135P43.3Very low45.3Very low125 Ų125140.1 Ų140.181%0.81277%0.773SS**  trans-103.9152.9-137.537.9-32.1000113.4
136G40.2Very low45.8Very low48 Ų48137 Ų13750%0.49577%0.773SS.*  trans176.476.2169.800000116.6
137Y45.8Very low46.5Very low218 Ų218136.1 Ų136.186%0.85577%0.773SS**  trans48.399.6148-48.5-79.7000119.4
138H44.7Very low47.2Very low185 Ų185138.7 Ų138.786%0.85677%0.772SS**  trans-129.8103.7146-43.1-63.6000108.9
139Q39.1Very low47.8Very low187 Ų187136.5 Ų136.587%0.87477%0.771SS**  trans-67.7137.4172.1-76.5-178.720.200110.5
140T38Very low47.8Very low134 Ų134137.1 Ų137.182%0.82278%0.775SS**  trans-70133.2171.855.10000110.8
141S44.8Very low48Very low99 Ų99137.6 Ų137.669%0.69279%0.787SS**  trans-134.4108.9156.4-172.50000109.8
142N44.6Very low48.7Very low146 Ų146137.8 Ų137.878%0.78179%0.79SS**  trans-54.4139170.4-79.2-30.4000112.5
143Y46.9Very low48.5Very low208 Ų208141.4 Ų141.482%0.81679%0.793SS**  trans-137.1131.1142.8-70.4-77.1000108.6
144P59.6Low48.8Very low117 Ų117144.1 Ų144.176%0.7680%0.801SS**  trans-75.3134.5-176.330.2-33000111L146P144-L146 PolarHBondContact O-N 3.16Å
145A49.7Very low49.2Very low89 Ų89141.4 Ų141.474%0.73679%0.792SS**  trans-66.3125.8168.700000109.8T147A145-T147 PolarHBondContact O-N 3.1Å; A145-T147 VanDerWaalsContact O-N 3.1Å
146L50.8Low49.3Very low166 Ų166145 Ų14587%0.86980%0.798SS**  trans-73.894.2168.5-68.8172.4000108.7P144 L148P144-L146 PolarHBondContact O-N 3.16Å; L146-L148 PolarHBondContact O-N 3.26Å
147T54Low49.5Very low128 Ų128146.1 Ų146.179%0.78581%0.809SS**  trans-79110.1167.5-57.30000108.7A145A145-T147 PolarHBondContact O-N 3.1Å; A145-T147 VanDerWaalsContact O-N 3.1Å
148L63Low49.9Very low152 Ų152144.5 Ų144.580%0.79681%0.812SS**  trans-75.6141.7166.1-8491.9000110.1L146L146-L148 PolarHBondContact O-N 3.26Å
149P62.6Low50.2Low109 Ų109138.8 Ų138.871%0.70879%0.791SS**  trans-77150.1179.231.7-33.9000111.8A151P149-A151 PolarHBondContact O-N 3.41Å
150P58.1Low50.4Low122 Ų122140.4 Ų140.479%0.79279%0.791SS**  trans-70.6113.7169.128.7-31.1000109.5
151A54.5Low51.1Low103 Ų103141.4 Ų141.485%0.85179%0.79SS**  trans-69130.8169.400000109.8P149P149-A151 PolarHBondContact O-N 3.41Å
152Q55.9Low51Low189 Ų189145.3 Ų145.388%0.88380%0.797SS**  trans-73.8143.8-169.3-62.3170.5-81.400112.3
153Y41.1Very low51.4Low239 Ų239149.8 Ų149.894%0.93780%0.804SS**  trans-86.2101.6178.5-142.4-88000109.4
154V49.6Very low51.8Low144 Ų144145.4 Ų145.487%0.87380%0.799SS**  trans-156.2132.7163.8-171.30000110.6
155G46.5Very low52Low62 Ų62148.5 Ų148.564%0.63981%0.805SS**  trans119.181.4161.400000113.5
156Q46Very low52.8Low200 Ų200149.4 Ų149.494%0.93580%0.803SS**  56.9111.198.1-71.5-154.716.800115.6
157G45Very low53.3Low71 Ų71147.4 Ų147.473%0.73280%0.801SS**  trans75.9121.1144.500000117.1
158M53.4Low53.8Low184 Ų184152.1 Ų152.191%0.90680%0.804SS**  166153.6118.4-82.9-51.3-107.600110.9
159P50.4Low53.4Low66 Ų66151.5 Ų151.543%0.42980%0.801SS.*  trans-89.8165-144.235.1-35000113.8L161P159-L161 PolarHBondContact O-N 3.48Å
160Y44.3Very low52.6Low221 Ų221154 Ų15487%0.86781%0.808SS**  trans-26.5103.6161.536-89.1000113
161L52.6Low52.2Low155 Ų155155.5 Ų155.581%0.81280%0.802SS**  trans-98.7107.5163.7-72.7-179.7000108.8P159 R163P159-L161 PolarHBondContact O-N 3.48Å; L161-R163 PolarHBondContact O-N 3.45Å
162Q43.6Very low51.6Low180 Ų180161 Ų16184%0.84180%0.801SS**  trans-44.5107.8154.6-85.4170.6-6.200108.8T164Q162-T164 PolarHBondContact O-N 3.31Å
163R51.8Low51Low241 Ų241156.1 Ų156.191%0.90979%0.788SS**  trans-84.792.1161.5-82.3-175.1-163.8-99.9-1.2108L161L161-R163 PolarHBondContact O-N 3.45Å
164T54.6Low51.5Low116 Ų116153.4 Ų153.471%0.71278%0.784SS**PPolyproline II helixtrans-57128.3158.455.60000108.8Q162Q162-T164 PolarHBondContact O-N 3.31Å
165M65.5Low51.5Low181 Ų181152.8 Ų152.889%0.89278%0.78SS**PPolyproline II helixtrans-65.8142.8174.4-73-164.3156.300110.9
166P64.9Low51.6Low108 Ų108155 Ų15570%0.70178%0.783SS**PPolyproline II helixtrans-72150.7179.829.8-33.4000111.7W168P166-W168 PolarHBondContact O-N 3.23Å
167P62Low51.6Low125 Ų125151.3 Ų151.381%0.81278%0.775SS**PPolyproline II helixtrans-76.2117.1177.431.7-29.6000108.6D169P167-D169 PolarHBondContact O-N 3.46Å
168W65.3Low51.7Low226 Ų226152.3 Ų152.386%0.85678%0.776SS**PPolyproline II helixtrans-79.4120.516842.9-87.4000108.9P166 L170P166-W168 PolarHBondContact O-N 3.23Å; W168-L170 PolarHBondContact O-N 3.18Å
169D54Low51.5Low139 Ų139148.6 Ų148.674%0.74376%0.764SS**  trans-38.7118.5-174-108.9-53.4000115.9P167 K171P167-D169 PolarHBondContact O-N 3.46Å; D169-K171 PolarHBondContact O-N 2.87Å
170L45.1Very low51.2Low163 Ų163152 Ų15285%0.85378%0.777SS**  trans-91.386.5163.4-133.277.7000108.2W168W168-L170 PolarHBondContact O-N 3.18Å
171K50.7Low51.3Low152 Ų152149.4 Ų149.466%0.66178%0.778SS**  trans-142.1114.7166.8-82.5-167.4-177.8174.60112.3D169D169-K171 PolarHBondContact O-N 2.87Å
172R41.1Very low51.3Low218 Ų218151.4 Ų151.482%0.82378%0.78SS**  trans67.1139.2142.2-62.4175.6-160.3-108.2-1.8115.5
173S44.3Very low51.4Low88 Ų88149 Ų14962%0.61578%0.779SS**  cis-178.1146.92.537.40000105.7
174E49.9Very low51.7Low181 Ų181148.6 Ų148.685%0.84678%0.778SS**  trans78.393147.4-65.1160.1-143.200119.8
175T49.8Very low51.3Low131 Ų131149.1 Ų149.180%0.80478%0.776SS**  trans-50.7169.6138.249.90000112.1
176P49.1Very low50.5Low108 Ų108148.7 Ų148.770%0.70177%0.772SS**  cis-153.4168.529.237.4-12.9000119.6
177T45.5Very low49.5Very low124 Ų124147.8 Ų147.876%0.76177%0.773SS**  trans57.7120136.9-58.30000121.8
178A48Very low48.9Very low92 Ų92149.4 Ų149.476%0.7677%0.774SS**  -177.993.6120.500000112.9
179T48.8Very low48.2Very low105 Ų105142.3 Ų142.364%0.64476%0.764SS**  44.4106.2106.8-46.40000120
180I45.5Very low47.9Very low138 Ų138142.6 Ų142.671%0.70877%0.765SS**  trans70.9120.6132.2-46.7171.5000119.9
181L46Very low48.5Very low167 Ų167143 Ų14387%0.87477%0.768SS**  158.4140.8112.1-99.3123.1000113.9
182K51.4Low48.3Very low197 Ų197147.7 Ų147.786%0.85778%0.782SS**  trans-74.3167.6-178.3-93.4172.5178.71730114.2
183P47.2Very low48.7Very low128 Ų128142.7 Ų142.783%0.83178%0.78SS**  trans-89.7156.2-162.236.2-34.3000114.7
184R57.9Low49.1Very low234 Ų234143.6 Ų143.688%0.88379%0.786SS**  trans-148.4114.5175-171.7171.9-178.7119-1.8113.9
185N45.1Very low49.1Very low127 Ų127144.7 Ų144.768%0.67979%0.788SS**  trans35.6134.9140.2-79.1-36.1000124.6
186Q48.8Very low49Very low172 Ų172144.4 Ų144.480%0.80479%0.792SS**  89.3115.7127.8-79.3169.110.700122.1
187A43.5Very low48.9Very low88 Ų88147.3 Ų147.373%0.72780%0.8SS**  98.2152.1117.300000121
188I50.2Low48.9Very low159 Ų159147.2 Ų147.282%0.81581%0.805SS**  trans99.491.7154.2-46.4177.3000117.2
189A50.4Low48.8Very low78 Ų78149 Ų14965%0.64581%0.807SS**  39.6147118.900000123.4
190D48.6Very low48.7Very low144 Ų144149 Ų14977%0.7782%0.817SS**  trans93.9110.1149.7-57.4-28.5000120
191N56.1Low48.7Very low173 Ų173151.4 Ų151.493%0.92583%0.825SS**  trans-155.4103.4135.3-102.5-53000111.3
192R48.2Very low48.7Very low250 Ų250152.8 Ų152.894%0.94383%0.827SS**  trans-97.8122.8162.6-86-178.3-178.6175.52.1108.6
193S48.1Very low48.4Very low113 Ų113149 Ų14979%0.7983%0.825SS**  trans-177.7137.6154.7-155.20000105.6
194S53.1Low48.4Very low107 Ų107146.4 Ų146.475%0.74882%0.821SS**  cis-161.7154.314.4-20.40000107.3
195K50.3Low47.8Very low203 Ų203147 Ų14788%0.88382%0.824SS**  trans-73.3142.9174.1-64167.1176.4175.70111.1
196S47.5Very low47.9Very low125 Ų125148.2 Ų148.287%0.87483%0.83SS**  trans-148.6123.3142.858.30000110.2
197L47.8Very low47.7Very low169 Ų169149.6 Ų149.689%0.88583%0.833SS**  trans-101.7135.5170.4-93.2136.1000106.8
198S44.2Very low47.8Very low122 Ų122150.4 Ų150.485%0.85383%0.834SS**  trans-143.1100.91671690000108.8
199T46.9Very low48Very low131 Ų131152.2 Ų152.280%0.80484%0.836SS**  trans-71138.9167.7-3.40000110.4
200A45.4Very low47.6Very low103 Ų103153.3 Ų153.385%0.85185%0.845SS**  trans-174.4108.4143.300000110.2
201E46.2Very low47.4Very low190 Ų190149.8 Ų149.889%0.88884%0.842SS**  trans-75.2139.5166.5-59.4180130.500109.4
202H46.7Very low46.9Very low195 Ų195151 Ų15190%0.90384%0.842SS**  trans-138.4111158.6-130.9-22.8000110.3
203S44.2Very low46.6Very low118 Ų118143.2 Ų143.283%0.82583%0.831SS**  trans-74.2138.7171.544.50000111.1
204G46.3Very low46.7Very low73 Ų73146.1 Ų146.175%0.75384%0.835SS**  trans-173.789.9178.100000115.2
205R46.3Very low46.5Very low246 Ų246146 Ų14693%0.92883%0.833SS**  trans60.6107.1145-67-176.2-179.1-140.6-0.1121.4
206L46.2Very low46.4Very low154 Ų154145.7 Ų145.781%0.80684%0.838SS**  -1.4127.2127.3-57.1166.3000117.4
207F45.9Very low46.3Very low200 Ų200150.2 Ų150.288%0.87784%0.836SS**  179.2152.798.4-113.7-90.7000111.6
208S45.2Very low46.1Very low106 Ų106148.2 Ų148.274%0.74183%0.826SS**  trans-80.9163.6-162.2-50.10000116.2
209K54.2Low45.8Very low197 Ų197147.3 Ų147.386%0.85782%0.819SS**  101.9111.2128.8-150.9164.4-176178.80118.1
210A42.7Very low45.6Very low101 Ų101146.6 Ų146.684%0.83582%0.82SS**  trans46.2127.3133.700000120.5
211G44.8Very low45.6Very low69 Ų69153.7 Ų153.771%0.71183%0.825SS**  trans15891.316300000108.1
212E44.4Very low45.7Very low198 Ų198155.3 Ų155.393%0.92582%0.823SS**  102107.593.7-158.8171-17300108.8
213A41.9Very low45.6Very low87 Ų87150.5 Ų150.572%0.71981%0.811SS**  trans-76.2137.1171.900000108.8
214M50.1Low45.3Very low175 Ų175154.5 Ų154.586%0.86282%0.816SS**  trans-177.2136.5133.4-103.8151.978.100113.1
215S49Very low45.3Very low103 Ų103156.2 Ų156.272%0.7282%0.817SS**  trans54.8101.4143.2-67.70000119.3
216M49.2Very low44.9Very low198 Ų198150.2 Ų150.298%0.97581%0.813SS**  trans-130.9107.4132.1-74.6-168.873.800110.3
217W45.1Very low45.4Very low219 Ų219148.3 Ų148.383%0.8381%0.81SS**  trans-75.9141.2172.5-173.4-5.4000108.9
218N43.5Very low45.4Very low128 Ų128144.1 Ų144.168%0.68481%0.805SS**  trans87.7140.8142.4-107-5.5000120.3
219S38Very low45.1Very low102 Ų102142.9 Ų142.971%0.71381%0.809SS**  trans9288.2152.9-510000116.9
220S42.7Very low44.9Very low116 Ų116139.7 Ų139.781%0.81181%0.806SS**  trans-15191.5133.4-89.20000110.7R222S220-R222 PolarHBondContact O-N 2.75Å
221R45.8Very low44.5Very low253 Ų253140.6 Ų140.696%0.95581%0.807SS**  trans-66.3111.1148.6-72.5-170.5-163-136.66.6107.5
222R47Very low44.5Very low223 Ų223142.8 Ų142.884%0.84281%0.81SS**  trans-159144.3156.6-84.7-171.5-166.7-108.1-1.3105.6S220S220-R222 PolarHBondContact O-N 2.75Å
223S45.7Very low44.4Very low94 Ų94138.4 Ų138.466%0.65780%0.801SS**  cis-162.7135.4-11.6-860000103.3S225S223-S225 PolarHBondContact O-N 3.36Å
224E36.9Very low44.5Very low202 Ų202145.8 Ų145.894%0.94481%0.81SS**  trans-62.9128.1172.7-64171.1139.400109.1
225S45.8Very low44.3Very low110 Ų110144.8 Ų144.877%0.76980%0.803SS**  trans-156.1109.615749.50000108.9S223S223-S225 PolarHBondContact O-N 3.36Å
226S39.2Very low44.5Very low120 Ų120144.8 Ų144.884%0.83980%0.799SS**  trans-78.9139.2169.5-55.60000109.9
227P55.8Low44.5Very low114 Ų114139.7 Ų139.774%0.7479%0.789SS**  trans-104.7112.7154.718.3-1.6000110.3
228S46.7Very low44.9Very low112 Ų112138 Ų13878%0.78379%0.787SS**  trans23126.8131.157.40000118.9
229G39.1Very low45.3Very low79 Ų79137.1 Ų137.181%0.81478%0.782SS**  trans-68.2156.5177.600000115.4
230T49.2Very low45.8Very low130 Ų130141.2 Ų141.280%0.79878%0.784SS**  trans-130.8116.3157.535.40000106.9
231S34.7Very low46.2Very low121 Ų121142.1 Ų142.185%0.84678%0.778SS**  trans-66.9122171.659.80000109.9
232C43.9Very low46.6Very low115 Ų115138.7 Ų138.778%0.77777%0.767SS**  trans-115.4127.3165.1-54.20000107.6
233S43.4Very low46.9Very low105 Ų105135.2 Ų135.273%0.73476%0.76SS**  trans-58.5146.9-162-52.20000115.9E235S233-E235 PolarHBondContact O-N 2.78Å
234R43.5Very low47.2Very low242 Ų242133.7 Ų133.791%0.91375%0.753SS**  trans-96.164.9179.5-172.9-171.8-177.9177.50.4109.5
235E45.6Very low48Very low154 Ų154129.6 Ų129.672%0.7274%0.738SS**  trans-148114171.7-82110.9-179.100108S233S233-E235 PolarHBondContact O-N 2.78Å
236T52.8Low48.4Very low103 Ų103129.1 Ų129.163%0.63273%0.726SS**  trans162.7-7.6159.632.60000113.4K238T236-K238 PolarHBondContact O-N 3.46Å
237A50.1Low49Very low92 Ų92132.6 Ų132.676%0.7672%0.721SS**THydrogen-bonded Turntrans-771.2-178.300000115.3
238K53.5Low49.2Very low183 Ų183132 Ų13280%0.79672%0.715SS**THydrogen-bonded Turntrans-98.5-17.3179.8-69.6-176.1179.21780113.9T236T236-K238 PolarHBondContact O-N 3.46Å
239D51.2Low49.6Very low110 Ų110132.7 Ų132.759%0.58871%0.709SS**THydrogen-bonded Turntrans-87.2-24.4-173.6-57.6-35.5000112.8L241D239-L241 PolarHBondContact O-N 3.3Å
240Y49.3Very low50.6Low188 Ų188134.6 Ų134.674%0.73770%0.701SS**THydrogen-bonded Turntrans-79.3-15.8179.8-72.4-77.7000114.3
241L51.7Low51.1Low134 Ų134134 Ų13470%0.70269%0.689SS**THydrogen-bonded Turntrans-79.5-20175.3-110.677.2000112.8D239D239-L241 PolarHBondContact O-N 3.3Å
242Y52.8Low52.2Low182 Ų182135.5 Ų135.571%0.71468%0.677SS**THydrogen-bonded Turntrans-85.4-6.7-178.5-112.1-88.8000114.4N246Y242-N246 PolarHBondContact O-ND2 3.2Å
243H53.9Low53Low150 Ų150132.1 Ų132.169%0.69466%0.658SS**THydrogen-bonded Turntrans-98-17.5179.9-87.7-0.3000114.6
244A52.2Low53.9Low62 Ų62134 Ų13451%0.51265%0.654SS.*Hα-helixtrans-75.2-38177.800000112.2N246 W247A244-N246 VanDerWaalsContact C-N 3.34Å; A244-N246 PolarHBondContact O-N 2.67Å; A244-W247 PolarHBondContact O-N 3.28Å
245D52.6Low54.8Low116 Ų116127.9 Ų127.962%0.6264%0.636SS**Hα-helixtrans-76.3-21.9-173.4-63.1-18.6000113.1
246N55.3Low55.5Low100 Ų100125 Ų12554%0.53562%0.623SS.*Hα-helixtrans-77.1-22.9175.4-82.2-43.3000113.3Y242 A244 N250Y242-N246 PolarHBondContact O-ND2 3.2Å; A244-N246 VanDerWaalsContact C-N 3.34Å; A244-N246 PolarHBondContact O-N 2.67Å; N246-N250 WeakPolarHBondContact O-CB 3.45Å; N246-N250 PolarHBondContact O-N 3.11Å
247W52.4Low55.9Low192 Ų192129 Ų12973%0.72763%0.626SS**Hα-helixtrans-74.8-37.4-178.3-157.773000111.9A244 E251A244-W247 PolarHBondContact O-N 3.28Å; W247-E251 PolarHBondContact O-N 2.91Å
248V58.7Low56.6Low102 Ų102128.3 Ų128.362%0.61862%0.616SS**Hα-helixtrans-72.1-37.1179.9179.40000112.2N250 Y252V248-N250 VanDerWaalsContact C-N 3.35Å; V248-Y252 PolarHBondContact O-N 2.83Å
249L56.7Low57Low126 Ų126124 Ų12466%0.6660%0.601SS**Hα-helixtrans-71.7-29.5178.5-71.8170.9000112.9A253L249-A253 PolarHBondContact O-N 3.41Å
250N58.9Low57.5Low120 Ų120121.9 Ų121.964%0.64260%0.599SS**Hα-helixtrans-77.9-32.7-179.1-154.134.2000112.6N246 V248 A253 H254N246-N250 WeakPolarHBondContact O-CB 3.45Å; N246-N250 PolarHBondContact O-N 3.11Å; V248-N250 VanDerWaalsContact C-N 3.35Å; N250-A253 PolarHBondContact O-N 3.07Å; N250-H254 PolarHBondContact O-N 3.34Å
251E60.4Low58.1Low116 Ų116120.4 Ų120.454%0.54260%0.599SS.*Hα-helixtrans-63.2-45.9171.5-93.4-79.714700111.5W247 A253 H254 E255W247-E251 PolarHBondContact O-N 2.91Å; E251-A253 VanDerWaalsContact C-N 3.31Å; E251-A253 PolarHBondContact O-N 2.87Å; E251-H254 PolarHBondContact O-N 3.03Å; E251-H254 VanDerWaalsContact O-N 3.15Å; E251-E255 PolarHBondContact O-N 3.15Å; E251-E255 VanDerWaalsContact O-N 3.14Å
252Y57.5Low58.6Low153 Ų153118.4 Ų118.460%0.660%0.596SS**Hα-helixtrans-64.8-34.1178.8-162.2-101.7000112.8V248 Q256V248-Y252 PolarHBondContact O-N 2.83Å; Y252-Q256 HydrophobicContact CD1-CG 4.33Å; Y252-Q256 HydrophobicContact CE1-CG 4.13Å; Y252-Q256 WeakPolarHBondContact O-CG 3.37Å; Y252-Q256 PolarHBondContact O-N 3.28Å
253A60.7Low58.9Low44 Ų44114.6 Ų114.636%0.36459%0.594SS.*Hα-helixtrans-71.5-29.9176.400000113.1L249 N250 E251 R257L249-A253 PolarHBondContact O-N 3.41Å; N250-A253 PolarHBondContact O-N 3.07Å; E251-A253 VanDerWaalsContact C-N 3.31Å; E251-A253 PolarHBondContact O-N 2.87Å; A253-R257 PolarHBondContact O-N 2.86Å
254H61.3Low59.1Low144 Ų144114.7 Ų114.767%0.66760%0.6SS**Hα-helixtrans-75-36.5177.7-160.9-84.8000111.6N250 E251 R257 S258N250-H254 PolarHBondContact O-N 3.34Å; E251-H254 PolarHBondContact O-N 3.03Å; E251-H254 VanDerWaalsContact O-N 3.15Å; H254-R257 PolarHBondContact O-N 3.41Å; H254-S258 PolarHBondContact O-N 3.02Å
255E62.7Low59.1Low114 Ų114126.1 Ų126.153%0.53363%0.63SS.*Hα-helixtrans-67.8-41.6177.2-162.5168.1-170.600112.1E251 R257 S258 I259E251-E255 PolarHBondContact O-N 3.15Å; E251-E255 VanDerWaalsContact O-N 3.14Å; E255-R257 PolarHBondContact O-N 3.38Å; E255-S258 PolarHBondContact O-N 3.5Å; E255-I259 HydrophobicContact CG-CD1 4.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.23Å; E255-I259 PolarHBondContact O-N 2.64Å; E255-I259 VanDerWaalsContact O-N 3.1Å
256Q60.7Low59.4Low93 Ų93126.7 Ų126.744%0.43563%0.631SS.*Hα-helixtrans-65.9-34.2177.5-66.9-64.8-26.500113.3Y252 A260Y252-Q256 HydrophobicContact CD1-CG 4.33Å; Y252-Q256 HydrophobicContact CE1-CG 4.13Å; Y252-Q256 WeakPolarHBondContact O-CG 3.37Å; Y252-Q256 PolarHBondContact O-N 3.28Å; Q256-A260 PolarHBondContact O-N 3.46Å; Q256-A260 VanDerWaalsContact O-N 3.16Å
257R61.6Low59.7Low188 Ų188128.1 Ų128.171%0.70964%0.636SS**Hα-helixtrans-72-33.6175.2-72.8-175.9-166.7-130.82.8112.7A253 H254 E255 Q261A253-R257 PolarHBondContact O-N 2.86Å; H254-R257 PolarHBondContact O-N 3.41Å; E255-R257 PolarHBondContact O-N 3.38Å; R257-Q261 WeakPolarHBondContact O-CG 3.4Å; R257-Q261 PolarHBondContact O-N 3.26Å
258S65.1Low60.1Low78 Ų78124.5 Ų124.555%0.54563%0.631SS.*Hα-helixtrans-68.9-36.8175.8-169.10000112H254 E255 S262H254-S258 PolarHBondContact O-N 3.02Å; E255-S258 PolarHBondContact O-N 3.5Å; S258-S262 PolarHBondContact O-N 2.75Å
259I60.8Low60.1Low91 Ų91125.8 Ų125.847%0.46763%0.631SS.*Hα-helixtrans-70.5-40.7177.9-64.4165.2000110.6E255 Q261 S262E255-I259 HydrophobicContact CG-CD1 4.23Å; E255-I259 WeakPolarHBondContact O-CG1 3.23Å; E255-I259 PolarHBondContact O-N 2.64Å; E255-I259 VanDerWaalsContact O-N 3.1Å; I259-Q261 PolarHBondContact O-N 3.1Å; I259-S262 PolarHBondContact O-N 3.36Å
260A62.2Low60.3Low67 Ų67125.8 Ų125.855%0.55463%0.63SS**Hα-helixtrans-67-34.117900000113.7Q256 S262Q256-A260 PolarHBondContact O-N 3.46Å; Q256-A260 VanDerWaalsContact O-N 3.16Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.11Å
261Q62.2Low60.4Low157 Ų157126.2 Ų126.273%0.73463%0.629SS**Hα-helixtrans-77.5-15178.1-70.9-178.6-4.900113.8R257 I259R257-Q261 WeakPolarHBondContact O-CG 3.4Å; R257-Q261 PolarHBondContact O-N 3.26Å; I259-Q261 PolarHBondContact O-N 3.1Å
262S61.4Low60.4Low92 Ų92126.9 Ų126.964%0.64364%0.635SS**THydrogen-bonded Turntrans-82.7-13.6177.9177.30000113.4S258 I259 A260S258-S262 PolarHBondContact O-N 2.75Å; I259-S262 PolarHBondContact O-N 3.36Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.11Å
263C60.8Low60.7Low101 Ų101124.9 Ų124.968%0.68264%0.638SS**SBendtrans-101.52.7-174.9-65.30000114.1
264D57.6Low60.7Low153 Ų153131.7 Ų131.782%0.81866%0.661SS**  trans-117.727.4-174.2-122.1-16000113.1
265R51.8Low60.6Low302 Ų302130.5 Ų130.5100%1.1466%0.66SS**  trans-125.80168-82.5-169.6-175.4179.22.8110.2

Retrieved 265 of 265 residues in 68.1 ms (Link to these results)