A0A096MET0_POEFO Loading...

Tumor protein p53 inducible nuclear protein 1

AlphaFold DB , UniProt , Accession A0A096MET0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1M53.8Low56.8Low204 Ų204137.4 Ų137.4100%1.00569%0.694SS**  0-420-84.1-166.5-81.200113.3Q3 R4M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.16Å; M1-R4 PolarHBondContact O-N 3.02Å
2F53.8Low56.4Low189 Ų189136.8 Ų136.883%0.82969%0.694SS**THydrogen-bonded Turntrans-57.1-35.2-175.9-65.1-77.2000116R4 F5F2-R4 PolarHBondContact O-N 3.16Å; F2-R4 VanDerWaalsContact O-N 3.13Å; F2-F5 PolarHBondContact O-N 2.87Å; F2-F5 VanDerWaalsContact O-N 3.09Å
3Q55.1Low56Low173 Ų173137 Ų13781%0.80870%0.698SS**Hα-helixtrans-53-34.1175.5-80.8171.1-25.400113.9M1 F5 A6M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.16Å; Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 2.94Å; Q3-A6 PolarHBondContact O-N 3.46Å
4R58.8Low55.9Low216 Ų216132.3 Ų132.382%0.81570%0.701SS**Hα-helixtrans-73.5-16.4-178.3-76.1-171.5172.5175.7-2.9114.7M1 F2M1-R4 PolarHBondContact O-N 3.02Å; F2-R4 PolarHBondContact O-N 3.16Å; F2-R4 VanDerWaalsContact O-N 3.13Å
5F57Low55.3Low149 Ų149131.5 Ų131.565%0.65470%0.697SS**Hα-helixtrans-84.9-29176.4-73.9-78.6000112.4F2 Q3 T8 L9F2-F5 PolarHBondContact O-N 2.87Å; F2-F5 VanDerWaalsContact O-N 3.09Å; Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 2.94Å; F5-T8 PolarHBondContact O-OG1 2.84Å; F5-L9 PolarHBondContact O-N 2.88Å
6A58.8Low55.4Low49 Ų49134.4 Ų134.441%0.40571%0.705SS.*Hα-helixtrans-67.6-47.4178.600000111.8Q3 T8 L9 F10Q3-A6 PolarHBondContact O-N 3.46Å; A6-T8 PolarHBondContact O-N 3.41Å; A6-L9 PolarHBondContact O-N 3.37Å; A6-F10 PolarHBondContact O-N 2.79Å
7S56.6Low54.8Low55 Ų55132.9 Ų132.939%0.38571%0.705SS.*Hα-helixtrans-58.3-32.2180-51.60000113.6G11S7-G11 PolarHBondContact O-N 2.8Å
8T58.6Low54.2Low116 Ų116130.8 Ų130.871%0.71270%0.703SS**Hα-helixtrans-81.6-17.1175.347.60000114.5F5 A6F5-T8 PolarHBondContact O-OG1 2.84Å; A6-T8 PolarHBondContact O-N 3.41Å
9L61.1Low53.6Low130 Ų130136.8 Ų136.868%0.68172%0.715SS**Hα-helixtrans-95.7-34.7-178-175.563.2000112.2F5 A6F5-L9 PolarHBondContact O-N 2.88Å; A6-L9 PolarHBondContact O-N 3.37Å
10F64.9Low52.6Low174 Ų174134 Ų13476%0.76372%0.721SS**Hα-helixtrans-109.4-12.5-173.8-69.1-72.5000115.2A6A6-F10 PolarHBondContact O-N 2.79Å
11G46.5Very low52.2Low56 Ų56133.7 Ų133.758%0.57773%0.729SS**THydrogen-bonded Turntrans77.2104.6-173.500000110.7S7 D13S7-G11 PolarHBondContact O-N 2.8Å; G11-D13 VanDerWaalsContact C-N 3.32Å; G11-D13 PolarHBondContact O-N 3.07Å
12D52.4Low51.4Low131 Ų131132.8 Ų132.870%0.70172%0.722SS**  trans-74.285.5172.3-167.942.4000108.9G14D12-G14 PolarHBondContact O-N 2.81Å
13D50.8Low51Low139 Ų139129.8 Ų129.874%0.74372%0.722SS**  trans-72.881.9173.3-169.1-110.2000109.6G11 N15G11-D13 VanDerWaalsContact C-N 3.32Å; G11-D13 PolarHBondContact O-N 3.07Å; D13-N15 PolarHBondContact O-N 2.96Å
14G55.1Low50.1Low71 Ų71124.9 Ų124.973%0.73272%0.718SS**  trans-72.764.7175.400000112.2D12 E16D12-G14 PolarHBondContact O-N 2.81Å; G14-E16 PolarHBondContact O-N 3.03Å; G14-E16 VanDerWaalsContact O-N 3.08Å
15N45.6Very low49Very low121 Ų121122.9 Ų122.965%0.64772%0.723SS**  trans-79.682.5174.1-172.219.9000111.3D13 P17D13-N15 PolarHBondContact O-N 2.96Å; N15-P17 WeakPolarHBondContact O-CD 3.44Å
16E57.5Low48.1Very low177 Ų177119 Ų11983%0.82773%0.726SS**  trans-87.2108.9153.7-93.3-147.811800110.1G14 S18G14-E16 PolarHBondContact O-N 3.03Å; G14-E16 VanDerWaalsContact O-N 3.08Å; E16-S18 PolarHBondContact O-N 2.81Å
17P45Very low47.2Very low109 Ų109125.4 Ų125.471%0.70875%0.747SS**  trans-92.981.8164.433.8-32.6000110.8N15 R19N15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-R19 PolarHBondContact O-N 3.06Å
18S43.9Very low46.7Very low95 Ų95131.1 Ų131.166%0.66477%0.768SS**  trans-78.5113.6168.1-162.10000111E16E16-S18 PolarHBondContact O-N 2.81Å
19R43.5Very low46Very low245 Ų245130.3 Ų130.393%0.92577%0.773SS**  trans58.7121.7164.7-70.9176147.3-162.3-5.4118.9P17P17-R19 PolarHBondContact O-N 3.06Å
20G33.9Very low45.5Very low81 Ų81132.1 Ų132.184%0.83578%0.778SS**  trans17197.2152.700000114.6
21S44.4Very low44.9Very low127 Ų127132.8 Ų132.889%0.88878%0.783SS**  trans-75.4135.3171.2-45.30000111.2
22Q36.3Very low45.2Very low185 Ų185138.2 Ų138.286%0.86479%0.794SS**  163.5137.9128.8-171.2166.2-27.300110.4
23P44.3Very low45.3Very low126 Ų126139 Ų13982%0.81880%0.798SS**  trans-87.6151.8-176.934.9-34.8000112.8
24G36.5Very low45.9Very low71 Ų71140.7 Ų140.773%0.73280%0.801SS**  trans-175.5116.5172.500000112.9
25D36.3Very low46.2Very low173 Ų173143.9 Ų143.993%0.92580%0.797SS**  trans41.5116.1159.8-64.1-31.3000120.8
26G38.8Very low47.4Very low69 Ų69145.3 Ų145.371%0.71181%0.805SS**  128.8118.2117.400000118.1
27Q39.1Very low48Very low182 Ų182147.4 Ų147.485%0.8581%0.805SS**  trans80.2125.3149.1-551792.500118.6
28Q46.4Very low49.5Very low175 Ų175149.2 Ų149.282%0.81881%0.807SS**  trans57.388.7149.7-64.7170.91.200116.7
29A43.2Very low50.9Low99 Ų99152.5 Ų152.582%0.81882%0.817SS**  trans-91.9121.8131.400000106.5
30E50.1Low52.3Low169 Ų169144.3 Ų144.379%0.7979%0.794SS**  trans-66.8135.2154.2-62.8-174.6153.400105.6E32E30-E32 PolarHBondContact O-N 3.31Å
31E54.1Low54.2Low187 Ų187144.9 Ų144.987%0.87478%0.778SS**  trans-70.189.3171.9-70.4175.3170.400106.3D33E31-D33 PolarHBondContact O-N 2.99Å; E31-D33 VanDerWaalsContact O-N 3.16Å
32E51.6Low55.1Low170 Ų170147 Ų14779%0.79477%0.768SS**  trans-60.2113160.4-70.1-173167.300105.6E30 E34E30-E32 PolarHBondContact O-N 3.31Å; E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 2.79Å
33D55.8Low56.4Low149 Ų149144.5 Ų144.580%0.79776%0.759SS**  trans-60.394.4172.2-73.3-56000107.5E31 E35E31-D33 PolarHBondContact O-N 2.99Å; E31-D33 VanDerWaalsContact O-N 3.16Å; D33-E35 PolarHBondContact O-N 3.4Å
34E63Low57.2Low174 Ų174141.1 Ų141.181%0.81374%0.742SS**  trans-65.185.1170.3-72.5-177.6171.700107.4E32 D36E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 2.79Å; E34-D36 PolarHBondContact O-N 2.77Å
35E60.3Low58.1Low137 Ų137144.7 Ų144.764%0.6474%0.74SS**  trans-58.3101.7175.9-70.2179.6150.100108.5D33 W37D33-E35 PolarHBondContact O-N 3.4Å; E35-W37 VanDerWaalsContact C-N 3.34Å; E35-W37 PolarHBondContact O-N 3.25Å; E35-W37 PolarHBondContact O-NE1 2.82Å
36D71.8Confident59.1Low151 Ų151139.7 Ų139.781%0.80772%0.723SS**  trans-60.389.8179.8-83.6-47000110.9E34 I38E34-D36 PolarHBondContact O-N 2.77Å; D36-I38 VanDerWaalsContact C-N 3.31Å; D36-I38 PolarHBondContact O-N 2.89Å
37W70.8Confident59.8Low222 Ų222141.5 Ų141.584%0.84172%0.723SS**  trans-68.886.6175-6792.1000110.3E35 L39E35-W37 VanDerWaalsContact C-N 3.34Å; E35-W37 PolarHBondContact O-N 3.25Å; E35-W37 PolarHBondContact O-NE1 2.82Å; W37-L39 PolarHBondContact O-N 2.81Å
38I76.2Confident60.5Low146 Ų146137.1 Ų137.175%0.74971%0.713SS**  trans-62.3106.3175.4-59.5174.6000109.2D36 V40D36-I38 VanDerWaalsContact C-N 3.31Å; D36-I38 PolarHBondContact O-N 2.89Å; I38-V40 HydrophobicContact CG2-CG2 4.34Å; I38-V40 PolarHBondContact O-N 3Å
39L72.8Confident60.6Low164 Ų164133.9 Ų133.986%0.85971%0.709SS**  trans-71.891.2174-177.163.6000110.1W37 N41W37-L39 PolarHBondContact O-N 2.81Å; L39-N41 PolarHBondContact O-N 2.94Å
40V72.7Confident60.9Low74 Ų74137 Ų13745%0.44871%0.706SS.*  trans-67.799.3173.7-177.40000109.4I38 Y42I38-V40 HydrophobicContact CG2-CG2 4.34Å; I38-V40 PolarHBondContact O-N 3Å; V40-Y42 HydrophobicContact CB-CE2 4.09Å; V40-Y42 HydrophobicContact CG1-CD1 4.01Å; V40-Y42 HydrophobicContact CG1-CD2 4.31Å; V40-Y42 HydrophobicContact CG1-CE1 3.64Å; V40-Y42 HydrophobicContact CG1-CE2 3.95Å; V40-Y42 HydrophobicContact CG1-CG 4.34Å; V40-Y42 VanDerWaalsContact O-CD2 3.23Å; V40-Y42 WeakPolarHBondContact O-CD2 3.18Å; V40-Y42 WeakPolarHBondContact O-CE2 3.46Å; V40-Y42 PolarHBondContact O-N 3.2Å; V40-Y42 VanDerWaalsContact O-N 3.11Å
41N74.2Confident60.7Low93 Ų93134.9 Ų134.950%0.49771%0.709SS.*  trans-8186.1176.4-176.614.6000111.2L39 L43 A44L39-N41 PolarHBondContact O-N 2.94Å; N41-L43 PolarHBondContact O-N 2.97Å; N41-L43 WeakPolarHBondContact OD1-CB 3.41Å; N41-L43 PolarHBondContact OD1-N 3.39Å; N41-A44 WeakPolarHBondContact O-CB 3.43Å; N41-A44 PolarHBondContact O-N 3.29Å
42Y63Low60.1Low172 Ų172128.5 Ų128.568%0.67569%0.693SS**Hα-helixtrans-56.1-20178.4-61.1-79.5000114.6V40 A46V40-Y42 HydrophobicContact CB-CE2 4.09Å; V40-Y42 HydrophobicContact CG1-CD1 4.01Å; V40-Y42 HydrophobicContact CG1-CD2 4.31Å; V40-Y42 HydrophobicContact CG1-CE1 3.64Å; V40-Y42 HydrophobicContact CG1-CE2 3.95Å; V40-Y42 HydrophobicContact CG1-CG 4.34Å; V40-Y42 VanDerWaalsContact O-CD2 3.23Å; V40-Y42 WeakPolarHBondContact O-CD2 3.18Å; V40-Y42 WeakPolarHBondContact O-CE2 3.46Å; V40-Y42 PolarHBondContact O-N 3.2Å; V40-Y42 VanDerWaalsContact O-N 3.11Å; Y42-A46 PolarHBondContact O-N 3.21Å
43L64Low60.1Low131 Ų131128.4 Ų128.469%0.68670%0.699SS**Hα-helixtrans-69.8-32.7174.5-60.8172.2000112.1N41 E45 C47N41-L43 PolarHBondContact O-N 2.97Å; N41-L43 WeakPolarHBondContact OD1-CB 3.41Å; N41-L43 PolarHBondContact OD1-N 3.39Å; L43-E45 VanDerWaalsContact C-N 3.35Å; L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.46Å
44A61.1Low59.3Low56 Ų56124.6 Ų124.646%0.46369%0.694SS.*Hα-helixtrans-67.8-36.517900000112N41 C47 S48N41-A44 WeakPolarHBondContact O-CB 3.43Å; N41-A44 PolarHBondContact O-N 3.29Å; A44-C47 PolarHBondContact O-N 3.43Å; A44-S48 PolarHBondContact O-N 3.11Å
45E55.8Low58.4Low145 Ų145124 Ų12468%0.67870%0.696SS**Hα-helixtrans-73-37.1-179.7-165163-168.300111.9L43 C47 S48L43-E45 VanDerWaalsContact C-N 3.35Å; E45-C47 PolarHBondContact O-N 3.39Å; E45-S48 PolarHBondContact O-N 2.96Å
46A57Low57.6Low69 Ų69122.6 Ų122.657%0.5770%0.701SS**Hα-helixtrans-60.6-43.5171.300000112.4Y42 S48 S49Y42-A46 PolarHBondContact O-N 3.21Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3.03Å; A46-S49 PolarHBondContact O-OG 2.95Å
47C52.6Low56.2Low106 Ų106122.4 Ų122.472%0.71670%0.7SS**Hα-helixtrans-74.3-16.6-178.7-67.40000114.6L43 A44 E45L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.46Å; A44-C47 PolarHBondContact O-N 3.43Å; E45-C47 PolarHBondContact O-N 3.39Å
48S54.2Low54.7Low91 Ų91117.2 Ų117.264%0.63670%0.698SS**Hα-helixtrans-81.1-19.2-176.7-164.10000113.6A44 E45 A46 H50A44-S48 PolarHBondContact O-N 3.11Å; E45-S48 PolarHBondContact O-N 2.96Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3.03Å; S48-H50 VanDerWaalsContact C-N 3.35Å; S48-H50 PolarHBondContact O-N 2.99Å
49S49.4Very low52.8Low106 Ų106115.4 Ų115.474%0.74169%0.694SS**THydrogen-bonded Turntrans-80.6-4.3-173.768.70000115.8A46A46-S49 PolarHBondContact O-OG 2.95Å
50H48.8Very low51.4Low164 Ų164114.6 Ų114.676%0.75969%0.689SS**THydrogen-bonded Turntrans-133.555.1-177.1-157.970.9000114S48 G52S48-H50 VanDerWaalsContact C-N 3.35Å; S48-H50 PolarHBondContact O-N 2.99Å; H50-G52 PolarHBondContact O-N 3.04Å
51C44.8Very low49.6Very low125 Ų125118.3 Ų118.385%0.84570%0.704SS**  trans-76.569158.844.90000110.6
52G41.7Very low48.3Very low53 Ų53119.5 Ų119.555%0.54672%0.717SS.*  trans-74.4125.6163.500000110.3H50 G54H50-G52 PolarHBondContact O-N 3.04Å; G52-G54 PolarHBondContact O-N 3.13Å
53D53.2Low47Very low169 Ų169119.3 Ų119.390%0.90472%0.722SS**  trans-50128.8178.3-177.125.3000113.1
54G37.8Very low46.2Very low68 Ų68121 Ų12170%0.70173%0.727SS**  trans179.978-168.500000115.9G52G52-G54 PolarHBondContact O-N 3.13Å
55L44.7Very low45Very low163 Ų163125.2 Ų125.285%0.85374%0.741SS**  trans-30.3141.8159.1-52.8158.3000113.1
56S43.5Very low44.8Very low107 Ų107127.4 Ų127.475%0.74875%0.751SS**  cis-159.1145.831.8-49.50000113.6
57D42.3Very low44Very low146 Ų146133.4 Ų133.478%0.78177%0.767SS**  trans4.3119.8132.1-171.524000119.8
58S39.9Very low43.9Very low114 Ų114137.8 Ų137.880%0.79778%0.778SS**  -166.4109.1127.9-158.90000115.1
59T36Very low43.4Very low108 Ų108141.7 Ų141.766%0.66379%0.786SS**  trans1.6114.7145.1-51.60000121.9
60I41.9Very low43.3Very low147 Ų147146 Ų14675%0.75479%0.794SS**  trans19.9126.4130.4-45.4162.2000119.9
61I36Very low43.4Very low151 Ų151146.4 Ų146.477%0.77480%0.797SS**  177.4141.2124.4-91.9158.2000109.6
62P47.7Very low43.6Very low118 Ų118149.7 Ų149.777%0.76680%0.799SS**  trans-83144.617333.9-34.2000112.2
63H35.5Very low44.2Very low169 Ų169155.2 Ų155.278%0.78281%0.811SS**  trans-136.4140.4165.3-156.3-82.2000109.3
64E47Very low44.5Very low167 Ų167154.1 Ų154.178%0.7881%0.805SS**  trans-85.3-173.5174.5-61.1177.3164.600109.3
65D36.1Very low45.5Very low144 Ų144157.4 Ų157.477%0.7781%0.806SS**  trans85118.5172.2-51.1-36.3000118.3
66E50.1Low46.3Very low190 Ų190155 Ų15589%0.88880%0.798SS**  trans-38.1133.4166.6-54165.917100115.5
67E40.3Very low47.2Very low195 Ų195157.9 Ų157.991%0.91180%0.801SS**  -149.8151.8127.6-72.2-151.1156.900109.3
68E50Low48Very low199 Ų199157.5 Ų157.593%0.9380%0.798SS**  trans-87.6112.8-179-63.7176.7154.700110.9
69E45Very low49.1Very low173 Ų173157.5 Ų157.581%0.80880%0.795SS**  trans-126.3121.4158.4-68.2-160.7164.800109.9E71E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.38Å
70E46.9Very low50.2Low197 Ų197157.6 Ų157.692%0.92180%0.8SS**  trans-73.184.3170.8-67.9-176.7153.600108.4E72E70-E72 PolarHBondContact O-N 3.2Å
71E51Low50.8Low172 Ų172156.4 Ų156.480%0.80480%0.802SS**  trans-63.8106.9167.4-74.2-166.1163.700108.9E69 E73E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.38Å; E71-E73 PolarHBondContact O-N 3.08Å
72E48.3Very low51.7Low194 Ų194157 Ų15791%0.90781%0.805SS**  trans-62.799.7179-59.4-171.5-121.800109.4E70 D74E70-E72 PolarHBondContact O-N 3.2Å; E72-D74 PolarHBondContact O-N 3.32Å
73E54.5Low51.9Low168 Ų168155.7 Ų155.779%0.78580%0.804SS**  trans-50.1108.5-178.7-62.2177.2-133.200110.5E71 L75E71-E73 PolarHBondContact O-N 3.08Å; E73-L75 VanDerWaalsContact C-N 3.29Å; E73-L75 PolarHBondContact O-N 2.87Å
74D59.3Low52.9Low146 Ų146152.7 Ų152.778%0.78180%0.802SS**  trans-65.892.6172.8-176.433.7000108.3E72 V76E72-D74 PolarHBondContact O-N 3.32Å; D74-V76 PolarHBondContact O-N 2.92Å
75L59.9Low53.5Low138 Ų138150.2 Ų150.272%0.72380%0.801SS**  trans-66.480.7-178.9-69.9176.1000109.6E73 M77E73-L75 VanDerWaalsContact C-N 3.29Å; E73-L75 PolarHBondContact O-N 2.87Å; L75-M77 PolarHBondContact O-N 3.47Å
76V61.6Low54.5Low112 Ų112147.7 Ų147.768%0.67980%0.8SS**  trans-49.8110.1174.7-73.70000109D74 I78D74-V76 PolarHBondContact O-N 2.92Å; V76-I78 VanDerWaalsContact C-N 3.32Å; V76-I78 PolarHBondContact O-N 2.9Å
77M61.5Low54.9Low168 Ų168145 Ų14583%0.82879%0.79SS**  trans-68.991.4-175.9-85.1-96.559.300109.6L75 P79L75-M77 PolarHBondContact O-N 3.47Å; M77-P79 WeakPolarHBondContact O-CD 3.23Å; M77-P79 VanDerWaalsContact O-N 3.08Å
78I58.7Low55.8Low137 Ų137146.8 Ų146.870%0.70379%0.788SS**PPolyproline II helixtrans-52.3116.2172.8-56.2177.7000107.2V76 S80V76-I78 VanDerWaalsContact C-N 3.32Å; V76-I78 PolarHBondContact O-N 2.9Å; I78-S80 PolarHBondContact O-N 3.22Å; I78-S80 VanDerWaalsContact O-N 3.14Å
79P63.8Low55.8Low115 Ų115146.6 Ų146.675%0.74778%0.781SS**PPolyproline II helixtrans-61.2122.5176.1-21.533.5000108.4M77M77-P79 WeakPolarHBondContact O-CD 3.23Å; M77-P79 VanDerWaalsContact O-N 3.08Å
80S58.4Low56.4Low109 Ų109143.5 Ų143.576%0.76278%0.775SS**PPolyproline II helixtrans-50.9131.5173.2-63.60000109I78 I82I78-S80 PolarHBondContact O-N 3.22Å; I78-S80 VanDerWaalsContact O-N 3.14Å; S80-I82 PolarHBondContact O-N 3.5Å; S80-I82 VanDerWaalsContact O-N 3.15Å
81P54.7Low56.6Low122 Ų122138.6 Ų138.679%0.79276%0.763SS**PPolyproline II helixtrans-56.2127.6179.123.2-33000108.4A83P81-A83 PolarHBondContact O-N 3.22Å
82I54.7Low56.7Low164 Ų164136.5 Ų136.584%0.84177%0.766SS**PPolyproline II helixtrans-54.1118.7180-176.2166.1000108.3S80 S84S80-I82 PolarHBondContact O-N 3.5Å; S80-I82 VanDerWaalsContact O-N 3.15Å; I82-S84 PolarHBondContact O-N 3Å
83A53.1Low56.8Low90 Ų90132.7 Ų132.774%0.74476%0.756SS**  trans-61.4111.4-178.400000108.3P81P81-A83 PolarHBondContact O-N 3.22Å
84S56.7Low56.7Low106 Ų106129.1 Ų129.174%0.74175%0.75SS**  trans-47.7131172.8-59.60000108.6I82 A86I82-S84 PolarHBondContact O-N 3Å; S84-A86 PolarHBondContact O-N 3.32Å; S84-A86 VanDerWaalsContact O-N 3.14Å
85P58.3Low56.4Low116 Ų116131 Ų13175%0.75376%0.758SS**  trans-56.1127-175.222.9-33.3000108.8I87P85-I87 PolarHBondContact O-N 3.37Å
86A57.8Low56.2Low91 Ų91130.6 Ų130.675%0.75276%0.757SS**  trans-59103.5-176.300000109.6S84 R88S84-A86 PolarHBondContact O-N 3.32Å; S84-A86 VanDerWaalsContact O-N 3.14Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.3Å
87I58Low55.7Low133 Ų133130.9 Ų130.968%0.68276%0.764SS**  trans-6499.2176.2-59.7176.9000106.5P85 Y89P85-I87 PolarHBondContact O-N 3.37Å; I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 HydrophobicContact CG2-CD2 4.39Å; I87-Y89 HydrophobicContact CG2-CE2 4.19Å; I87-Y89 WeakPolarHBondContact O-CD2 3.04Å; I87-Y89 PolarHBondContact O-N 3.22Å
88R58.8Low55.4Low232 Ų232129.2 Ų129.288%0.87576%0.764SS**  trans-72.594.4172.6-62.9-171.6-167.9-178.75.5107.3A86 P90A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.3Å; R88-P90 WeakPolarHBondContact O-CD 3.1Å
89Y51.7Low55Low196 Ų196126.8 Ų126.877%0.76976%0.764SS**  trans-56.2122.9164.3-71.6-89000108.4I87 S91I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 HydrophobicContact CG2-CD2 4.39Å; I87-Y89 HydrophobicContact CG2-CE2 4.19Å; I87-Y89 WeakPolarHBondContact O-CD2 3.04Å; I87-Y89 PolarHBondContact O-N 3.22Å; Y89-S91 PolarHBondContact O-N 3.02Å
90P56.7Low54.4Low107 Ų107128.3 Ų128.370%0.69577%0.766SS**  trans-62.8129.1167.127.1-32000107.8R88 C92R88-P90 WeakPolarHBondContact O-CD 3.1Å; P90-C92 PolarHBondContact O-N 2.86Å
91S51.3Low54.3Low95 Ų95129.2 Ų129.266%0.66477%0.767SS**  trans-67.6104.8176.4-179.40000108.9Y89 T93Y89-S91 PolarHBondContact O-N 3.02Å; S91-T93 PolarHBondContact O-N 3.11Å; S91-T93 PolarHBondContact OG-OG1 3.45Å
92C52.6Low54.2Low128 Ų128129.7 Ų129.787%0.86576%0.763SS**  trans-71.869.9179-61.40000111.3P90P90-C92 PolarHBondContact O-N 2.86Å
93T50.8Low54.6Low114 Ų114127.9 Ų127.970%0.69976%0.762SS**  trans-12465.6178.653.40000111S91S91-T93 PolarHBondContact O-N 3.11Å; S91-T93 PolarHBondContact OG-OG1 3.45Å
94S53Low54.5Low93 Ų93130.6 Ų130.665%0.6576%0.764SS**  trans-170.6115.2147.8-167.90000110.2
95L52.8Low54.4Low184 Ų184129.1 Ų129.196%0.96377%0.765SS**  trans-142.581.4165.3-79.1-177.7000109
96N55.5Low53.7Low130 Ų130127.4 Ų127.470%0.69577%0.769SS**  trans-154.842.7163.966-18.1000112.8T98N96-T98 PolarHBondContact O-N 3.07Å
97S51.4Low53.5Low119 Ų119127.4 Ų127.483%0.83277%0.769SS**  trans-77.694.9161.6-70.80000109.4A99S97-A99 VanDerWaalsContact C-N 3.27Å; S97-A99 PolarHBondContact O-N 3.35Å; S97-A99 VanDerWaalsContact O-N 3.11Å
98T53.7Low52.9Low132 Ų132129.5 Ų129.581%0.8178%0.776SS**  trans-80.876.8167.656.20000109.1N96 D100N96-T98 PolarHBondContact O-N 3.07Å; T98-D100 VanDerWaalsContact C-N 3.28Å; T98-D100 PolarHBondContact O-N 3.05Å
99A51.8Low52.4Low87 Ų87125.2 Ų125.272%0.71977%0.77SS**  trans-84.179167.200000108.5S97 T101S97-A99 VanDerWaalsContact C-N 3.27Å; S97-A99 PolarHBondContact O-N 3.35Å; S97-A99 VanDerWaalsContact O-N 3.11Å; A99-T101 PolarHBondContact O-N 3Å
100D50.5Low52.2Low146 Ų146123 Ų12378%0.78177%0.772SS**  trans-91.286.9172.2-163.526.3000107.6T98T98-D100 VanDerWaalsContact C-N 3.28Å; T98-D100 PolarHBondContact O-N 3.05Å
101T56.5Low51.9Low128 Ų128126.1 Ų126.179%0.78578%0.777SS**  trans-96.395.3173.253.60000107.9A99 P103A99-T101 PolarHBondContact O-N 3Å; T101-P103 VanDerWaalsContact O-CD 3.27Å; T101-P103 WeakPolarHBondContact O-CD 3.32Å
102D53.3Low51.8Low132 Ų132129.3 Ų129.371%0.70679%0.787SS**  trans-95.1105.7177.8-1534.4000108.8D104D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.12Å
103P61.4Low51.6Low127 Ų127127 Ų12783%0.82578%0.784SS**  trans-85.763.6177.236.5-35.1000110.2T101T101-P103 VanDerWaalsContact O-CD 3.27Å; T101-P103 WeakPolarHBondContact O-CD 3.32Å
104D51Low51.2Low146 Ų146128.6 Ų128.678%0.78179%0.789SS**  trans-78.4126172.4-166.223.5000110.8D102 G106D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.12Å; D104-G106 PolarHBondContact O-N 3.01Å; D104-G106 VanDerWaalsContact O-N 3.16Å
105G55.5Low50.9Low75 Ų75132 Ų13277%0.77379%0.794SS**  trans-82.493.6-168.800000112.7
106G43.9Very low50.5Low80 Ų80131.6 Ų131.683%0.82579%0.787SS**  trans-91.8105.516700000111.7D104D104-G106 PolarHBondContact O-N 3.01Å; D104-G106 VanDerWaalsContact O-N 3.16Å
107A52.4Low49.9Very low91 Ų91134 Ų13475%0.75280%0.795SS**  trans-89.1129.5169.200000110.5
108E46.6Very low49.5Very low178 Ų178136.6 Ų136.683%0.83279%0.794SS**  174134.5123.956-154.5167.900112.1
109D47.7Very low49Very low141 Ų141139.5 Ų139.575%0.75480%0.798SS**  trans41.8121150.6-48.9-17.9000119.1
110D47.1Very low48.7Very low150 Ų150144.2 Ų144.280%0.80281%0.805SS**  -178.8161.166-98.7-41.6000113.2
111E51.8Low48.6Very low172 Ų172146.8 Ų146.880%0.80481%0.813SS**  trans60108.6155-67.1-177.2147.900123.1
112D48.4Very low48.1Very low162 Ų162149.9 Ų149.987%0.86682%0.818SS**  trans40.3116.1132.5-57.3-27.9000121.9
113G47.8Very low47.8Very low79 Ų79152.9 Ų152.981%0.81483%0.828SS**  trans-178.3115.416600000114.6
114D42.3Very low46.8Very low149 Ų149150.4 Ų150.480%0.79783%0.825SS**  trans-62.2153.9-170-58.6-59.2000118.3
115E46.7Very low46.8Very low164 Ų164147.5 Ų147.577%0.76683%0.83SS**  trans65.4128.2140.4-71.5169.2-170.800122.7
116E44.8Very low46.3Very low175 Ų175152.6 Ų152.682%0.81883%0.831SS**  trans48.4129.9143.4-50.8-175-169.700118.8
117E44.1Very low46.9Very low181 Ų181154.5 Ų154.585%0.84682%0.822SS**  -174.8154.871.8-71.1170.5158.600105.6
118E42.1Very low47.1Very low173 Ų173161.4 Ų161.481%0.80883%0.828SS**  cis-155.7170.6-17.5-111.3-168.2132.500107.1
119E44.2Very low47.4Very low193 Ų193159.4 Ų159.490%0.90282%0.823SS**  trans-93.5118.6171.7-68.7178.4164.200110.7
120E45.3Very low47.5Very low186 Ų186157.1 Ų157.187%0.86981%0.811SS**  trans-127.578.8165.6-74.1-159.2158.400112.1
121E47.6Very low47.8Very low201 Ų201153.7 Ų153.794%0.93980%0.803SS**  trans-84.795.7151-70.3-168.8166.400109.1
122E45.4Very low47.7Very low193 Ų193148.6 Ų148.690%0.90279%0.785SS**  trans-137.8124.7155.2-150.7172.1-158.500114.9
123E47.4Very low47.9Very low195 Ų195144.5 Ų144.591%0.91177%0.769SS**  trans-56.7120.3177.4-179.2176.4-164.700113.7
124G40.7Very low48.2Very low75 Ų75147.2 Ų147.277%0.77376%0.764SS**  trans-141.578.6-177.700000113.5F126G124-F126 PolarHBondContact O-N 3.04Å
125G51.2Low48.9Very low85 Ų85145.8 Ų145.888%0.87675%0.753SS**  trans-64.6121-166.900000116.7
126F45.6Very low49.3Very low182 Ų182145.2 Ų145.280%0.79875%0.751SS**SBendtrans-136.197.8149.5-171.2-100.5000110.7G124 R128G124-F126 PolarHBondContact O-N 3.04Å; F126-R128 PolarHBondContact O-N 3.29Å
127L56.6Low50.3Low120 Ų120142 Ų14263%0.62875%0.747SS**  trans48.166.1160.9-51.2-177.8000115.3L129L127-L129 HydrophobicContact CB-CG 4.49Å; L127-L129 PolarHBondContact O-N 3.02Å
128R55.2Low51.1Low236 Ų236142 Ų14289%0.89174%0.739SS**  trans-64.978.9148-177.3177.7168.7-178.6-3.9107.5F126 D130F126-R128 PolarHBondContact O-N 3.29Å; R128-D130 PolarHBondContact O-N 3.44Å; R128-D130 VanDerWaalsContact O-N 3.11Å
129L54.2Low51.9Low136 Ų136140 Ų14071%0.71273%0.729SS**  trans-53.9114.8164.2-76.2158.8000105.8L127 A131L127-L129 HydrophobicContact CB-CG 4.49Å; L127-L129 PolarHBondContact O-N 3.02Å; L129-A131 PolarHBondContact O-N 3.03Å
130D48.3Very low53Low93 Ų93136.5 Ų136.550%0.49772%0.72SS.*  trans-62.4114.1179.4-17030.7000107.4R128 C132 S133R128-D130 PolarHBondContact O-N 3.44Å; R128-D130 VanDerWaalsContact O-N 3.11Å; D130-C132 PolarHBondContact O-N 3.32Å; D130-S133 WeakPolarHBondContact O-CB 3.4Å; D130-S133 PolarHBondContact O-N 2.86Å; D130-S133 PolarHBondContact O-OG 3.25Å
131A54.9Low54.1Low77 Ų77133.3 Ų133.364%0.63671%0.713SS**G310 helixtrans-59.5-28.8-170.100000111.4L129 S133 L134L129-A131 PolarHBondContact O-N 3.03Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-S133 PolarHBondContact O-N 2.9Å; A131-L134 PolarHBondContact O-N 2.83Å
132C48.1Very low55.1Low65 Ų65127.9 Ų127.944%0.43970%0.696SS.*G310 helixtrans-66-27.5174.5-60.20000113.6D130 L134 E135D130-C132 PolarHBondContact O-N 3.32Å; C132-L134 PolarHBondContact O-N 2.89Å; C132-L134 VanDerWaalsContact O-N 3.13Å; C132-E135 PolarHBondContact O-N 3.39Å
133S54.2Low56.2Low76 Ų76123.6 Ų123.653%0.53169%0.685SS.*G310 helixtrans-69.8-10.3178.2810000113.7D130 A131D130-S133 WeakPolarHBondContact O-CB 3.4Å; D130-S133 PolarHBondContact O-N 2.86Å; D130-S133 PolarHBondContact O-OG 3.25Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-S133 PolarHBondContact O-N 2.9Å
134L53.5Low57.2Low136 Ų136119.1 Ų119.171%0.71267%0.672SS**G310 helixtrans-100.8-11.1172.9-138.579.8000112.7A131 C132 E136A131-L134 PolarHBondContact O-N 2.83Å; C132-L134 PolarHBondContact O-N 2.89Å; C132-L134 VanDerWaalsContact O-N 3.13Å; L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 PolarHBondContact O-N 2.77Å
135E56.4Low58.2Low119 Ų119120.2 Ų120.256%0.55667%0.667SS**SBendtrans-77.3-10.7-174.4-72.9-169.9128.100113.6C132 F139C132-E135 PolarHBondContact O-N 3.39Å; E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 WeakPolarHBondContact O-CE2 3.26Å
136E55.6Low58.7Low153 Ų153125.5 Ų125.572%0.71567%0.666SS**SBendtrans-110.8-24.1-173.3-68.5148.4171.700114.3L134 W138L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 PolarHBondContact O-N 2.77Å; E136-W138 VanDerWaalsContact C-N 3.29Å; E136-W138 PolarHBondContact O-N 3.44Å
137S65.7Low59.2Low107 Ų107122.1 Ų122.175%0.74866%0.66SS**THydrogen-bonded Turntrans-78.5-2.9-168.2-168.10000115.4
138W61.9Low59.2Low180 Ų180119.8 Ų119.868%0.68267%0.666SS**THydrogen-bonded Turntrans-114.71.1-179.964.5-78.9000114.1E136 V140E136-W138 VanDerWaalsContact C-N 3.29Å; E136-W138 PolarHBondContact O-N 3.44Å; W138-V140 PolarHBondContact O-N 2.98Å
139F57.9Low59.2Low133 Ų133117.5 Ų117.558%0.58367%0.665SS**  trans-85.117.2177.5-77-69.9000114.7E135 T141E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 WeakPolarHBondContact O-CE2 3.26Å; F139-T141 PolarHBondContact O-N 2.94Å
140V67Low59.3Low119 Ų119114.7 Ų114.772%0.72167%0.668SS**  trans-69.687.2163.2-173.30000107.8W138 P142W138-V140 PolarHBondContact O-N 2.98Å; V140-P142 VanDerWaalsContact O-CD 3.32Å; V140-P142 WeakPolarHBondContact O-CD 3.07Å; V140-P142 VanDerWaalsContact O-N 3.09Å
141T69.3Low60Low119 Ų119113.1 Ų113.173%0.7368%0.675SS**PPolyproline II helixtrans-56116162.6-60.40000105.9F139F139-T141 PolarHBondContact O-N 2.94Å
142P67.5Low60.4Low87 Ų87117.8 Ų117.857%0.56568%0.683SS**PPolyproline II helixtrans-57.2140.3-179.923.3-32.6000108.2V140V140-P142 VanDerWaalsContact O-CD 3.32Å; V140-P142 WeakPolarHBondContact O-CD 3.07Å; V140-P142 VanDerWaalsContact O-N 3.09Å
143P69.1Low61Low103 Ų103120.4 Ų120.467%0.66970%0.699SS**PPolyproline II helixtrans-51.7134.817822.9-33.3000108.1C145P143-C145 PolarHBondContact O-N 3.36Å; P143-C145 PolarHBondContact O-SG 3.39Å
144P68.8Low61.4Low100 Ų100122.3 Ų122.365%0.64971%0.707SS**  trans-6199.7-167.923.1-34000110.4F146 T147P144-F146 PolarHBondContact O-N 3.19Å; P144-T147 HydrophobicContact CB-CG2 4.39Å; P144-T147 HydrophobicContact CG-CG2 4.33Å
145C60.3Low61.8Low98 Ų98122.6 Ų122.666%0.66271%0.709SS**THydrogen-bonded Turntrans-62.9-12.1-165.3-58.30000114.5P143P143-C145 PolarHBondContact O-N 3.36Å; P143-C145 PolarHBondContact O-SG 3.39Å
146F62.3Low62.1Low196 Ų196123.6 Ų123.686%0.8672%0.718SS**THydrogen-bonded Turntrans-143.364.8-178.9-65.9-79.3000112.6P144 G148P144-F146 PolarHBondContact O-N 3.19Å; F146-G148 PolarHBondContact O-N 3.48Å; F146-G148 VanDerWaalsContact O-N 3.07Å
147T55.4Low62.7Low111 Ų111124.7 Ų124.768%0.68172%0.722SS**  trans-76.674.1149.2540000108.9P144 H149P144-T147 HydrophobicContact CB-CG2 4.39Å; P144-T147 HydrophobicContact CG-CG2 4.33Å; T147-H149 PolarHBondContact O-N 3.23Å
148G57.1Low62.8Low72 Ų72124.4 Ų124.474%0.74272%0.716SS**  trans-59.1103.9171.700000109.3F146 G150F146-G148 PolarHBondContact O-N 3.48Å; F146-G148 VanDerWaalsContact O-N 3.07Å; G148-G150 PolarHBondContact O-N 3.12Å; G148-G150 VanDerWaalsContact O-N 3.16Å
149H55.2Low63.2Low188 Ų188118.5 Ų118.587%0.8770%0.702SS**  trans-80.1102.5-164.5-164.9-66.5000111.2T147 G151T147-H149 PolarHBondContact O-N 3.23Å; H149-G151 PolarHBondContact O-N 3.16Å
150G57.3Low63.6Low76 Ų76117.9 Ų117.978%0.78471%0.712SS**SBendtrans73.1-12.8160.800000117.9G148 Q152G148-G150 PolarHBondContact O-N 3.12Å; G148-G150 VanDerWaalsContact O-N 3.16Å; G150-Q152 PolarHBondContact O-N 2.92Å
151G63.1Low63.3Low61 Ų61117.8 Ų117.863%0.62971%0.707SS**  trans-61.5132.6169.300000110.9H149H149-G151 PolarHBondContact O-N 3.16Å
152Q63.2Low63.1Low174 Ų174116.1 Ų116.181%0.81369%0.691SS**  trans-49.6134.9166-175.9-178.3600107.9G150 V154G150-Q152 PolarHBondContact O-N 2.92Å; Q152-V154 PolarHBondContact O-N 2.84Å
153P60.8Low62.8Low120 Ų120116.5 Ų116.578%0.77969%0.688SS**  trans-53.8109.1-175.920.1-33.2000109.2L155P153-L155 PolarHBondContact O-N 3.1Å
154V61.2Low62.6Low116 Ų116117.7 Ų117.770%0.70369%0.688SS**  trans-59.9116-177.2179.60000105.6Q152 L156Q152-V154 PolarHBondContact O-N 2.84Å; V154-L156 HydrophobicContact CB-CD1 3.97Å; V154-L156 HydrophobicContact CG1-CD1 3.86Å; V154-L156 WeakPolarHBondContact O-CD1 3.26Å; V154-L156 PolarHBondContact O-N 3.11Å
155L62Low62.1Low143 Ų143120.6 Ų120.675%0.74970%0.697SS**  trans-7382.1172.1-165.9161.8000105.3P153 E157P153-L155 PolarHBondContact O-N 3.1Å; L155-E157 HydrophobicContact CD2-CG 4.03Å; L155-E157 PolarHBondContact O-N 3.22Å
156L64.2Low62.4Low140 Ų140121.6 Ų121.673%0.73370%0.695SS**  trans-56.2109.3167.2-85.982.4000105.4V154 T158V154-L156 HydrophobicContact CB-CD1 3.97Å; V154-L156 HydrophobicContact CG1-CD1 3.86Å; V154-L156 WeakPolarHBondContact O-CD1 3.26Å; V154-L156 PolarHBondContact O-N 3.11Å; L156-T158 PolarHBondContact O-N 2.88Å
157E68.3Low62.2Low175 Ų175120.2 Ų120.282%0.81869%0.691SS**  trans-64.4103.9174.1-72.1-156.1152.900107.6L155 S159L155-E157 HydrophobicContact CD2-CG 4.03Å; L155-E157 PolarHBondContact O-N 3.22Å; E157-S159 PolarHBondContact O-N 3.02Å
158T67.5Low62Low101 Ų101123 Ų12362%0.6270%0.696SS**  trans-46.2112.5171.845.70000109.4L156 E162L156-T158 PolarHBondContact O-N 2.88Å; T158-E162 VanDerWaalsContact C-OE2 3.28Å; T158-E162 WeakPolarHBondContact CA-OE2 3.24Å; T158-E162 VanDerWaalsContact CB-CD 3.49Å; T158-E162 WeakPolarHBondContact CB-OE1 3.48Å; T158-E162 VanDerWaalsContact CB-OE2 3.26Å; T158-E162 WeakPolarHBondContact CB-OE2 3.34Å; T158-E162 VanDerWaalsContact CG2-OE1 3.26Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.15Å
159S70.7Confident62.2Low56 Ų56125.1 Ų125.139%0.39270%0.696SS.*  trans-63.4133.7-175.31750000108.5E157 L161 E162E157-S159 PolarHBondContact O-N 3.02Å; S159-L161 PolarHBondContact O-N 3.09Å; S159-L161 PolarHBondContact OG-N 3.34Å; S159-E162 PolarHBondContact N-OE2 2.93Å; S159-E162 WeakPolarHBondContact O-CB 3.43Å; S159-E162 VanDerWaalsContact O-CG 3.24Å; S159-E162 WeakPolarHBondContact O-CG 3.27Å; S159-E162 PolarHBondContact O-N 3.36Å
160P65.6Low62.6Low121 Ų121120.9 Ų120.979%0.78669%0.688SS**THydrogen-bonded Turntrans-55.3-15.9177.2-26.734.8000114.4
161L60.3Low62.5Low116 Ų116125.4 Ų125.461%0.60769%0.691SS**THydrogen-bonded Turntrans-91.1-15.5179.4-55.4176.5000113.9S159 N163 L164S159-L161 PolarHBondContact O-N 3.09Å; S159-L161 PolarHBondContact OG-N 3.34Å; L161-N163 PolarHBondContact O-N 3.13Å; L161-L164 HydrophobicContact CB-CD1 4.27Å; L161-L164 HydrophobicContact CD2-CD1 3.62Å; L161-L164 VanDerWaalsContact O-CB 3.31Å; L161-L164 WeakPolarHBondContact O-CB 3.16Å; L161-L164 PolarHBondContact O-N 3.17Å
162E65.4Low61.8Low85 Ų85127.4 Ų127.440%0.39770%0.695SS.*G310 helixtrans-62.3-34.8-177.679.3-169.2-160.500111.8T158 S159 L164 L165T158-E162 VanDerWaalsContact C-OE2 3.28Å; T158-E162 WeakPolarHBondContact CA-OE2 3.24Å; T158-E162 VanDerWaalsContact CB-CD 3.49Å; T158-E162 WeakPolarHBondContact CB-OE1 3.48Å; T158-E162 VanDerWaalsContact CB-OE2 3.26Å; T158-E162 WeakPolarHBondContact CB-OE2 3.34Å; T158-E162 VanDerWaalsContact CG2-OE1 3.26Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.15Å; S159-E162 PolarHBondContact N-OE2 2.93Å; S159-E162 WeakPolarHBondContact O-CB 3.43Å; S159-E162 VanDerWaalsContact O-CG 3.24Å; S159-E162 WeakPolarHBondContact O-CG 3.27Å; S159-E162 PolarHBondContact O-N 3.36Å; E162-L164 PolarHBondContact O-N 3.43Å; E162-L165 PolarHBondContact O-N 3.26Å
163N61Low61.4Low94 Ų94125.4 Ų125.450%0.50370%0.695SS.*G310 helixtrans-77.41.6178.8-73.7-67.6000113.2L161 L165 I166L161-N163 PolarHBondContact O-N 3.13Å; N163-L165 VanDerWaalsContact C-N 3.31Å; N163-I166 HydrophobicContact CB-CD1 4.31Å; N163-I166 HydrophobicContact CB-CG1 4.34Å; N163-I166 WeakPolarHBondContact O-CG1 3.43Å; N163-I166 WeakPolarHBondContact OD1-CD1 3.31Å
164L63.9Low60.8Low128 Ų128128.9 Ų128.967%0.6769%0.693SS**G310 helixtrans-84-7.4171.9-58.7177.4000112.8L161 E162L161-L164 HydrophobicContact CB-CD1 4.27Å; L161-L164 HydrophobicContact CD2-CD1 3.62Å; L161-L164 VanDerWaalsContact O-CB 3.31Å; L161-L164 WeakPolarHBondContact O-CB 3.16Å; L161-L164 PolarHBondContact O-N 3.17Å; E162-L164 PolarHBondContact O-N 3.43Å
165L59.1Low60.3Low161 Ų161127 Ų12784%0.84369%0.69SS**SBendtrans-101.4-9.1176.3-62.2179.5000113.6E162 N163E162-L165 PolarHBondContact O-N 3.26Å; N163-L165 VanDerWaalsContact C-N 3.31Å
166I67.2Low59.5Low119 Ų119128.5 Ų128.561%0.6169%0.693SS**SBendtrans-87118.9172.357.2172.6000110.7N163N163-I166 HydrophobicContact CB-CD1 4.31Å; N163-I166 HydrophobicContact CB-CG1 4.34Å; N163-I166 WeakPolarHBondContact O-CG1 3.43Å; N163-I166 WeakPolarHBondContact OD1-CD1 3.31Å
167E57.8Low59Low167 Ų167130.3 Ų130.378%0.7870%0.697SS**  trans64.475.5168-155.1170.3-165.900116P169E167-P169 VanDerWaalsContact O-CD 3.28Å; E167-P169 WeakPolarHBondContact O-CD 3.41Å
168H51.1Low58.4Low170 Ų170126.7 Ų126.779%0.78769%0.692SS**  trans-57.7121.9134.4-86.3-64.6000108S170H168-S170 PolarHBondContact O-N 3.21Å
169P62.1Low57.9Low116 Ų116126.8 Ų126.875%0.75369%0.694SS**  trans-75.167.4170.432.8-35.4000109.1E167 M171E167-P169 VanDerWaalsContact O-CD 3.28Å; E167-P169 WeakPolarHBondContact O-CD 3.41Å; P169-M171 PolarHBondContact O-N 3.43Å; P169-M171 VanDerWaalsContact O-N 3.14Å
170S62.5Low57.2Low100 Ų100130 Ų13070%0.69971%0.714SS**  trans-66.9110.9174-640000108.5H168H168-S170 PolarHBondContact O-N 3.21Å
171M56.4Low56.7Low171 Ų171135.9 Ų135.984%0.84272%0.72SS**  trans74.868.9153-160.5164.166.800117.1P169P169-M171 PolarHBondContact O-N 3.43Å; P169-M171 VanDerWaalsContact O-N 3.14Å
172S48.5Very low56.5Low102 Ų102138.3 Ų138.371%0.71373%0.733SS**  trans-11295142.662.10000110.4Y174S172-Y174 VanDerWaalsContact C-N 3.28Å; S172-Y174 PolarHBondContact O-N 3.11Å
173V53.7Low55.5Low132 Ų132139.2 Ų139.280%0.875%0.754SS**  trans-77.281.4173.3-178.20000108.8
174Y48.2Very low54.8Low193 Ų193145.9 Ų145.976%0.75777%0.773SS**  trans-120.1109.9161.1-71.2-67.4000109.4S172 H176S172-Y174 VanDerWaalsContact C-N 3.28Å; S172-Y174 PolarHBondContact O-N 3.11Å; Y174-H176 PolarHBondContact O-N 3.04Å
175A51.8Low53.7Low76 Ų76147.3 Ų147.363%0.62878%0.781SS**  trans-66.2105.2176.900000110.1H177A175-H177 PolarHBondContact O-N 2.92Å
176H45.4Very low53.2Low175 Ų175144.6 Ų144.681%0.8177%0.773SS**  trans-72.275.2172.3-75.3-79.5000111.3Y174 S178Y174-H176 PolarHBondContact O-N 3.04Å; H176-S178 VanDerWaalsContact C-N 3.28Å; H176-S178 PolarHBondContact O-N 3.29Å
177H52.2Low52.1Low178 Ų178145.3 Ų145.382%0.82478%0.777SS**  trans-77.577.1165.3-67.3-55.4000110.6A175A175-H177 PolarHBondContact O-N 2.92Å
178S56.8Low51.6Low100 Ų100143.3 Ų143.370%0.69978%0.778SS**  trans-95117164.360.40000110H176H176-S178 VanDerWaalsContact C-N 3.28Å; H176-S178 PolarHBondContact O-N 3.29Å
179P56.3Low51.7Low102 Ų102142.4 Ų142.466%0.66277%0.774SS**  trans-70.9149-179.228.9-34.8000111.8R181P179-R181 PolarHBondContact O-N 3.04Å
180P56Low51.4Low125 Ų125145.8 Ų145.881%0.81278%0.779SS**  trans-67.3108.2-17927.2-34.1000111.3L182P180-L182 PolarHBondContact O-N 3.15Å
181R54.3Low50.8Low244 Ų244147 Ų14792%0.92178%0.783SS**  trans-83.287.2171.1-74.2-169.3172-179.6-0.4110.7P179P179-R181 PolarHBondContact O-N 3.04Å
182L57.1Low50.3Low167 Ų167147.6 Ų147.687%0.87479%0.788SS**  trans-86.9131.4160.8-66.9-180000109.9P180 R184P180-L182 PolarHBondContact O-N 3.15Å; L182-R184 PolarHBondContact O-N 2.96Å
183A44.3Very low50.4Low103 Ų103150.2 Ų150.285%0.85179%0.794SS**  trans-79.8103.6-177.500000111.5
184R46.2Very low50.1Low235 Ų235155.4 Ų155.489%0.88780%0.799SS**  trans40.6107.6134.5-163.9172.9-165.1136.91.2118.3L182L182-R184 PolarHBondContact O-N 2.96Å
185D40.8Very low50.3Low158 Ų158154.1 Ų154.185%0.84580%0.8SS**  trans-125.9152.9143.3-105.6-31.7000109.5
186P48.8Very low50.1Low103 Ų103158.8 Ų158.867%0.66981%0.811SS**  trans-95.2126.8-167.834.3-32.5000115.5
187I44.5Very low50.1Low135 Ų135157.3 Ų157.369%0.69281%0.809SS**  trans47.1120.2133.2-65.1179.1000117.3
188P46.7Very low49.7Very low125 Ų125158.4 Ų158.481%0.81281%0.812SS**  -128.5141.178.98.314.1000116.7
189H53.1Low49.4Very low151 Ų151162 Ų16270%0.69982%0.822SS**  trans-69.9131.5160.9-62.8-106.8000109.9
190H55Low48.9Very low187 Ų187162.8 Ų162.887%0.86683%0.831SS**  trans179.8154.3139.7-93.3-62.4000108.6
191T51.8Low47.8Very low126 Ų126160.2 Ų160.277%0.77383%0.827SS**SBendtrans89.140.9170.1-25.40000118.5
192L45.7Very low47.2Very low183 Ų183156.5 Ų156.596%0.95883%0.825SS**  trans-144.753.7149.7-80.1-172.6000111
193D49.2Very low46.7Very low157 Ų157154 Ų15484%0.8482%0.819SS**  trans-122.649.5179.8-158.525.1000110.4
194R49Very low46.1Very low240 Ų240154.7 Ų154.791%0.90682%0.818SS**SBendtrans-151.925.4-174.5-166.9144.7-179.21375.8116.1
195E51.2Low45.5Very low166 Ų166147.6 Ų147.678%0.77681%0.809SS**SBendtrans-1404.5174.9-137.7-171.2154.800117
196M48.1Very low45.3Very low175 Ų175149.4 Ų149.486%0.86281%0.81SS**SBendtrans-118.716.1-176.1-70.5-77.599.600115.5
197D46Very low44.8Very low144 Ų144153.2 Ų153.277%0.7782%0.819SS**SBendtrans-97.5-1.7177.3-80.2-31.3000114.9
198F42.9Very low44.4Very low200 Ų200153 Ų15388%0.87782%0.824SS**THydrogen-bonded Turntrans-92.810.5-171.2-93.7-77.5000116.3
199L49.5Very low44.3Very low175 Ų175152.9 Ų152.992%0.91682%0.823SS**THydrogen-bonded Turntrans-129.332.1178.2-68.3177.2000114.3
200S47.6Very low43.3Very low120 Ų120150.7 Ų150.784%0.83983%0.831SS**  trans-153.5106.4163.1-168.20000111.5
201G32.9Very low42.2Very low71 Ų71145.9 Ų145.973%0.73283%0.832SS**  trans168.180.3-177.600000114P203G201-P203 VanDerWaalsContact O-CD 3.31Å; G201-P203 WeakPolarHBondContact O-CD 3.46Å
202N41.6Very low41.3Very low165 Ų165143.9 Ų143.988%0.88284%0.836SS**  trans-74.4118.4174.3-16813.4000110.5
203P44.9Very low41.1Very low115 Ų115145 Ų14575%0.74783%0.833SS**  trans-101.8112.617424.1-6.8000111.3G201G201-P203 VanDerWaalsContact O-CD 3.31Å; G201-P203 WeakPolarHBondContact O-CD 3.46Å
204S32.6Very low40.6Very low118 Ų118146.4 Ų146.483%0.82584%0.835SS**  trans-62.1156.3170.7-1720000112.4
205A34.1Very low40.6Very low86 Ų86144.4 Ų144.471%0.71183%0.833SS**  trans-52145.5-171.600000116.1
206K35.6Very low39.9Very low196 Ų196141.5 Ų141.585%0.85284%0.837SS**  trans-163107.8140.8-108.6156.9-171.3178.40114.2
207Q39.2Very low39.8Very low183 Ų183144.8 Ų144.886%0.85584%0.84SS**  trans40.8122.8139.9-63.7177.619.100121.3
208T35.9Very low39.7Very low131 Ų131143 Ų14380%0.80484%0.837SS**  trans-63.1161.1149.751.30000111.5
209P43.9Very low39.3Very low121 Ų121139 Ų13979%0.78683%0.829SS**  -146.5146.7103.736.9-21.9000116.9
210A32.4Very low38.9Very low106 Ų106138 Ų13888%0.87682%0.823SS**  trans45.7129.1138.800000122.7
211G31.3Very low38Very low85 Ų85140.7 Ų140.788%0.87682%0.822SS**  trans151.7119.7144.600000115.4
212G33.3Very low38.2Very low85 Ų85140.6 Ų140.688%0.87682%0.822SS**  trans130.8110.6165.800000114.9
213K41.1Very low38.4Very low205 Ų205138.2 Ų138.289%0.89182%0.815SS**  trans-97.1150.9167.9-61.4172.7178.4174.90108.5
214E40.4Very low38Very low188 Ų188144.4 Ų144.488%0.87982%0.824SS**  162.4157116-168.5154.8161.200113.3
215K47.3Very low38.1Very low197 Ų197147.2 Ų147.286%0.85782%0.824SS**  trans-65.5141.9178.1-70.9160.2157.8172.60113.4
216A37.8Very low38.5Very low105 Ų105151.7 Ų151.787%0.86882%0.822SS**  trans-155.6142.7135.400000112.1
217R44.6Very low39.2Very low245 Ų245147.8 Ų147.893%0.92582%0.817SS**  trans-118.4177.1166.1-101.8-173.1179.9-172.70.8106.2
218P45.5Very low39.4Very low107 Ų107145.9 Ų145.970%0.69581%0.808SS**  cis-135.1-165-1827.4-2.7000113
219T34.5Very low39.5Very low116 Ų116145.9 Ų145.971%0.71281%0.807SS**  trans119.8124.9136.9-530000118
220L39.6Very low39.5Very low154 Ų154146.2 Ų146.281%0.80681%0.807SS**  trans7.3150146.6-78.5152.4000119.7
221E30Very low40Very low175 Ų175148.2 Ų148.282%0.81880%0.798SS**  cis-162.3162.517-165.6170.2-170.600110.2
222G36.4Very low40.6Very low70 Ų70153.9 Ų153.972%0.72279%0.793SS**  trans157.897.7166.100000116
223P45.2Very low41.4Very low114 Ų114162.1 Ų162.174%0.7480%0.798SS**  trans-95150.6-179.435.4-32.7000113.3
224R37.7Very low41.6Very low246 Ų246156.9 Ų156.993%0.92879%0.787SS**  trans-167.9100143-90.8-120.9-89.6-101.12.5114.5
225H35.1Very low41.8Very low177 Ų177153 Ų15382%0.81978%0.78SS**  trans35.3114.3133.1-127.8-35000121
226R41.2Very low41.9Very low179 Ų179152.4 Ų152.468%0.67579%0.786SS**  trans-77.6145.5148.8-172-165.8176.9161-3.4108.7E228R226-E228 IonicContact CZ-OE1 3.82Å; R226-E228 IonicContact CZ-OE2 3.89Å; R226-E228 IonicContact NH2-OE1 2.7Å; R226-E228 PolarHBondContact NH2-OE1 3.14Å; R226-E228 IonicContact NH2-OE2 3.14Å; R226-E228 PolarHBondContact NH2-OE2 2.84Å; R226-E228 VanDerWaalsContact NH2-OE2 3.14Å
227P50.4Low42.5Very low114 Ų114155.1 Ų155.174%0.7478%0.78SS**  -138.7171.9114.935.3-21.7000113.5
228E43.4Very low43.2Very low144 Ų144148.6 Ų148.667%0.67377%0.772SS**  trans-122.3133.3-169.5163.5175.4-10400108.2R226R226-E228 IonicContact CZ-OE1 3.82Å; R226-E228 IonicContact CZ-OE2 3.89Å; R226-E228 IonicContact NH2-OE1 2.7Å; R226-E228 PolarHBondContact NH2-OE1 3.14Å; R226-E228 IonicContact NH2-OE2 3.14Å; R226-E228 PolarHBondContact NH2-OE2 2.84Å; R226-E228 VanDerWaalsContact NH2-OE2 3.14Å
229V38.1Very low43.3Very low131 Ų131149.5 Ų149.579%0.79478%0.775SS**  trans-142122.3178.2-175.90000111.6
230V44.3Very low44.1Very low128 Ų128149.6 Ų149.678%0.77678%0.78SS**  trans-80.3131.4165.21700000109.1
231Q42.4Very low44.7Very low147 Ų147153.2 Ų153.269%0.68778%0.784SS**  trans-157.6107.3160.1-158.173.6-51.600113.8
232R44Very low45.8Very low205 Ų205149.8 Ų149.877%0.77479%0.786SS**  trans51.5113.1144.1-59174-175.3-118.2-4.6120.1
233R50.7Low46.2Very low258 Ų258151.6 Ų151.697%0.97479%0.794SS**  trans-79.2117.3148.5-66.4171.167.4-164.81.2108.4
234S44.8Very low46.7Very low95 Ų95150.6 Ų150.666%0.66480%0.796SS**  trans-124.7118.7171.8540000111
235S44.3Very low47.3Very low106 Ų106147.1 Ų147.174%0.74179%0.794SS**  trans18.8105153.556.80000118.2H237S235-H237 PolarHBondContact O-N 2.86Å
236L49.7Very low47.7Very low185 Ų185144.5 Ų144.597%0.96979%0.791SS**  trans-84.794.7152.5-69.6177.5000108
237H51.8Low47.9Very low162 Ų162142.2 Ų142.275%0.7580%0.797SS**  trans-76.8148.8175-146.5-94.1000110.1S235 T239S235-H237 PolarHBondContact O-N 2.86Å; H237-T239 PolarHBondContact O-N 2.99Å
238S57.7Low47.8Very low108 Ų108145.3 Ų145.376%0.75580%0.799SS**  trans-66.7117.5-180-177.60000111.7
239T48.1Very low48.1Very low125 Ų125145 Ų14577%0.76781%0.809SS**  trans-144.465.9170.761.40000111.4H237H237-T239 PolarHBondContact O-N 2.99Å
240C52.4Low48.3Very low118 Ų118141.6 Ų141.680%0.79780%0.801SS**  trans-106.662.8174.2-65.90000111.8
241Y50.5Low48.7Very low230 Ų230143.9 Ų143.990%0.90281%0.808SS**  trans-135147170.4-92.2-88.5000111.8
242A52.8Low49.1Very low104 Ų104144.7 Ų144.786%0.8682%0.816SS**  trans67.389.4173.200000118.4
243A45.9Very low49.5Very low108 Ų108144 Ų14489%0.89382%0.822SS**  trans-153.670155.900000112.6
244A55.6Low49.1Very low93 Ų93140.7 Ų140.777%0.76982%0.817SS**  trans-150.343.5179.100000115.5
245L49.3Very low49.1Very low172 Ų172147.2 Ų147.290%0.90183%0.827SS**  trans-136.679.8164-73179.6000110.8
246T44.1Very low49.2Very low122 Ų122148.6 Ų148.675%0.74883%0.834SS**  trans-121.788.9166-171.20000110.1K248T246-K248 PolarHBondContact O-N 3.34Å; T246-K248 VanDerWaalsContact O-N 3.11Å
247T46.7Very low49.1Very low132 Ų132142.3 Ų142.381%0.8181%0.814SS**  trans-8087.3176.250.70000110.1
248K46.6Very low49.2Very low178 Ų178141.5 Ų141.577%0.77482%0.815SS**  trans-95.5117.8163.4-72.2-172.4178.5-179.90109.5T246 G250T246-K248 PolarHBondContact O-N 3.34Å; T246-K248 VanDerWaalsContact O-N 3.11Å; K248-G250 PolarHBondContact O-N 3.03Å
249P49.5Very low49Very low138 Ų138142 Ų14290%0.89681%0.813SS**  trans-74.779.7171.131-32.9000109.5
250G42.7Very low49.1Very low60 Ų60141.9 Ų141.962%0.61981%0.812SS**  trans-80.6114.5173.700000110.9K248 L252K248-G250 PolarHBondContact O-N 3.03Å; G250-L252 VanDerWaalsContact C-N 3.32Å; G250-L252 PolarHBondContact O-N 2.79Å
251L54Low49.2Very low176 Ų176144 Ų14492%0.92181%0.811SS**  trans-64.385.1174-178.374.5000110.8
252L49.2Very low49.5Very low163 Ų163144.1 Ų144.185%0.85381%0.809SS**  trans-94.6110.2167.7-72.7-173.9000111G250 Q254G250-L252 VanDerWaalsContact C-N 3.32Å; G250-L252 PolarHBondContact O-N 2.79Å; L252-Q254 PolarHBondContact O-N 3.35Å
253Q52.6Low49.5Very low192 Ų192144.7 Ų144.790%0.89780%0.802SS**  trans-34.8109.6173.9-161.4164.451.200113.4R255Q253-R255 PolarHBondContact O-N 3.19Å
254Q42.8Very low50Low187 Ų187146.8 Ų146.887%0.87479%0.794SS**  trans-69.1122175.6-74.5-171.2-5.400110.9L252L252-Q254 PolarHBondContact O-N 3.35Å
255R43.8Very low50.2Low232 Ų232150.5 Ų150.588%0.87580%0.8SS**  trans-74.5130.7164.8-175.5176.3-178.2130.3-2.8108.6Q253 G257Q253-R255 PolarHBondContact O-N 3.19Å; R255-G257 VanDerWaalsContact C-N 3.33Å; R255-G257 PolarHBondContact O-N 3.21Å
256P48.5Very low50.7Low135 Ų135149 Ų14988%0.87779%0.792SS**  trans-73.886.5179.429.7-34.1000110.5
257G47.3Very low51.6Low54 Ų54146.6 Ų146.656%0.55778%0.78SS**  trans-111.1124.916900000109.8R255 V259R255-G257 VanDerWaalsContact C-N 3.33Å; R255-G257 PolarHBondContact O-N 3.21Å; G257-V259 PolarHBondContact O-N 3.03Å
258N53.9Low52.3Low144 Ų144152.3 Ų152.377%0.7779%0.787SS**  trans-38104-172.5-59.9-29.6000114.7T260N258-T260 PolarHBondContact O-N 2.99Å
259V52.8Low52.9Low119 Ų119152 Ų15272%0.72179%0.785SS**G310 helixtrans-65.4-22-177.3-176.60000112.4G257 Q261 R262G257-V259 PolarHBondContact O-N 3.03Å; V259-Q261 PolarHBondContact O-N 3.19Å; V259-R262 PolarHBondContact O-N 2.92Å
260T51Low53.3Low122 Ų122148.8 Ų148.875%0.74877%0.77SS**G310 helixtrans-63.1-11.5-172.9-31.70000115.5N258N258-T260 PolarHBondContact O-N 2.99Å
261Q54.1Low54.1Low162 Ų162152.9 Ų152.976%0.75778%0.777SS**G310 helixtrans-97.9-13.1178.4-67.5-168.2-1.200114.5V259 T263V259-Q261 PolarHBondContact O-N 3.19Å; Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 2.79Å
262R56.1Low54.6Low233 Ų233154.4 Ų154.488%0.87977%0.771SS**THydrogen-bonded Turntrans-85.23-173-140.2-178.287169.66.4115.1V259V259-R262 PolarHBondContact O-N 2.92Å
263T53.5Low55.3Low116 Ų116156.6 Ų156.671%0.71277%0.768SS**THydrogen-bonded Turntrans-13325.4-177.250.40000113.1Q261 L265Q261-T263 VanDerWaalsContact C-N 3.31Å; Q261-T263 PolarHBondContact O-N 2.79Å; T263-L265 VanDerWaalsContact C-N 3.29Å; T263-L265 PolarHBondContact O-N 2.73Å
264Q56.3Low55.7Low153 Ų153154.9 Ų154.972%0.71576%0.764SS**  trans-71.191.3163.4-70.1-151.2-4.500109.8L266Q264-L266 PolarHBondContact O-N 2.8Å
265L59.6Low56.6Low170 Ų170151.9 Ų151.989%0.8975%0.754SS**  trans-54.8108.4161.4-74.2165.5000107.7T263 S267T263-L265 VanDerWaalsContact C-N 3.29Å; T263-L265 PolarHBondContact O-N 2.73Å; L265-S267 PolarHBondContact O-N 2.91Å
266L59.3Low57.3Low142 Ų142147.8 Ų147.874%0.74375%0.749SS**  trans-62.8101.5175.2-67.4174.6000108Q264 R268Q264-L266 PolarHBondContact O-N 2.8Å; L266-R268 PolarHBondContact O-N 3.14Å
267S64.4Low57.9Low70 Ų70149.1 Ų149.149%0.4975%0.748SS.*  trans-51135.8177.1171.60000109.8L265 K269 A270L265-S267 PolarHBondContact O-N 2.91Å; S267-K269 PolarHBondContact O-N 3.44Å; S267-K269 PolarHBondContact OG-N 2.78Å; S267-A270 WeakPolarHBondContact O-CB 3.28Å; S267-A270 PolarHBondContact O-N 3.14Å
268R59.9Low58.4Low253 Ų253157.7 Ų157.796%0.95576%0.763SS**THydrogen-bonded Turntrans-53.6-18.8175-69.9-174.2178.7-174.8-0.5112.9L266L266-R268 PolarHBondContact O-N 3.14Å
269K58.7Low58.3Low170 Ų170156.7 Ų156.774%0.73976%0.764SS**THydrogen-bonded Turntrans-91.3-4.8176.8-60.3-175.8179.8-179.70114.7S267 R272S267-K269 PolarHBondContact O-N 3.44Å; S267-K269 PolarHBondContact OG-N 2.78Å; K269-R272 WeakPolarHBondContact O-CG 3.21Å
270A59.7Low58.4Low71 Ų71157.4 Ų157.459%0.58777%0.769SS**THydrogen-bonded Turntrans-85-30.6179.500000112.9S267 R272S267-A270 WeakPolarHBondContact O-CB 3.28Å; S267-A270 PolarHBondContact O-N 3.14Å; A270-R272 PolarHBondContact O-N 3.04Å
271L58.8Low58.5Low146 Ų146160.9 Ų160.976%0.76477%0.774SS**  trans-83.452.5176.7-104.1163.6000112.3R273L271-R273 PolarHBondContact O-N 2.97Å
272R65.1Low58.4Low208 Ų208159.8 Ų159.879%0.78578%0.781SS**  trans-86105.7170.9-66.7178.5106.1167.43.9108.8K269 A270 L274K269-R272 WeakPolarHBondContact O-CG 3.21Å; A270-R272 PolarHBondContact O-N 3.04Å; R272-L274 PolarHBondContact O-N 3.03Å
273R62.8Low58.1Low209 Ų209151.4 Ų151.479%0.78977%0.767SS**  trans-58.3123.7173.6-65.4176.676.7179.35.2108.7L271 N275L271-R273 PolarHBondContact O-N 2.97Å; R273-N275 PolarHBondContact O-N 2.97Å
274L60.8Low57.8Low156 Ų156152.2 Ų152.282%0.81777%0.772SS**  trans-72.223.5-179.9-88.7162.3000114.3R272 L276R272-L274 PolarHBondContact O-N 3.03Å; L274-L276 HydrophobicContact CD2-CD1 4.17Å; L274-L276 PolarHBondContact O-N 3.04Å
275N61.7Low57.7Low124 Ų124153.4 Ų153.466%0.66378%0.782SS**  trans-74.771166.6-78.1-22.7000109.2R273 L277R273-N275 PolarHBondContact O-N 2.97Å; N275-L277 PolarHBondContact O-N 2.86Å
276L59.1Low57.2Low147 Ų147152.9 Ų152.977%0.7778%0.775SS**  trans-60.9107.4157.5-89.371.6000106.6L274 R278L274-L276 HydrophobicContact CD2-CD1 4.17Å; L274-L276 PolarHBondContact O-N 3.04Å; L276-R278 PolarHBondContact O-N 3.11Å
277L60.6Low56.9Low163 Ų163155.8 Ų155.885%0.85378%0.782SS**PPolyproline II helixtrans-47.8125.7163.9-72.6156.3000107.7N275N275-L277 PolarHBondContact O-N 2.86Å
278R59.3Low56.3Low234 Ų234160.4 Ų160.488%0.88380%0.796SS**PPolyproline II helixtrans-55.6128.7173.6-80.5179.3-81.2162.4-5.1107.4L276 T280L276-R278 PolarHBondContact O-N 3.11Å; R278-T280 PolarHBondContact O-N 2.87Å
279P51.7Low56Low122 Ų122155.4 Ų155.479%0.79279%0.787SS**PPolyproline II helixtrans-59.8126.7-179.123.9-33000109.2K281P279-K281 PolarHBondContact O-N 2.85Å
280T53.5Low55.6Low134 Ų134155.4 Ų155.482%0.82279%0.789SS**PPolyproline II helixtrans-63.1123.7170.642.60000107.9R278 P282R278-T280 PolarHBondContact O-N 2.87Å; T280-P282 WeakPolarHBondContact O-CD 3.31Å
281K54.3Low55.7Low196 Ų196159.6 Ų159.685%0.85280%0.797SS**PPolyproline II helixtrans-64.6127174.9-83.6179.3172.6176.60108.5P279 G283P279-K281 PolarHBondContact O-N 2.85Å; K281-G283 PolarHBondContact O-N 3.24Å
282P51Low55.3Low139 Ų139158 Ų15890%0.90380%0.795SS**  trans-74.595.8169.430.4-31.3000107.9T280T280-P282 WeakPolarHBondContact O-CD 3.31Å
283G50.2Low54.7Low57 Ų57154.4 Ų154.459%0.58880%0.796SS**  trans-171.7106.3-176.800000112.4K281K281-G283 PolarHBondContact O-N 3.24Å
284T47.9Very low54.3Low132 Ų132152.2 Ų152.281%0.8180%0.795SS**  trans71.2109.1169.2-48.10000115.9H286T284-H286 PolarHBondContact O-N 3.33Å
285L53.3Low54.2Low178 Ų178155.8 Ų155.893%0.93280%0.798SS**  trans-62.8102.4161.3-67.8166.6000108.9
286H49.6Very low53.9Low160 Ų160157.4 Ų157.474%0.74180%0.801SS**  trans-134.4123.4163.6-150.6-92.2000107.9T284 H288T284-H286 PolarHBondContact O-N 3.33Å; H286-H288 VanDerWaalsContact C-N 3.26Å; H286-H288 PolarHBondContact O-N 3.05Å
287F52.7Low53.8Low202 Ų202157.3 Ų157.389%0.88680%0.8SS**  trans-68.384.9178.2-74.9-93000109.4L289F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 2.85Å
288H52.6Low53.2Low168 Ų168157 Ų15778%0.77880%0.799SS**  trans-81.386.3175.9-151.1-30.2000109.2H286 H290H286-H288 VanDerWaalsContact C-N 3.26Å; H286-H288 PolarHBondContact O-N 3.05Å; H288-H290 PolarHBondContact O-N 3.06Å
289L51.8Low52.8Low148 Ų148158.5 Ų158.578%0.77581%0.813SS**  trans-49.1128.7158.9-85159.2000108.3F287 Q291F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 2.85Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 3.26Å
290H51.8Low52.8Low170 Ų170160.4 Ų160.479%0.78781%0.814SS**  trans-75.486.7178.8177.2-74.1000108.9H288H288-H290 PolarHBondContact O-N 3.06Å
291Q60.2Low52.8Low159 Ų159161.7 Ų161.774%0.74381%0.814SS**PPolyproline II helixtrans-65.7128.3170-77.2-169.9-30.300109.4L289 T293L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 3.26Å; Q291-T293 PolarHBondContact O-N 3.37Å
292P51.1Low52.7Low112 Ų112159.8 Ų159.873%0.72781%0.811SS**PPolyproline II helixtrans-65.5134174.227.4-33.1000109.9Q294P292-Q294 PolarHBondContact O-N 3.2Å
293T52.2Low52.8Low132 Ų132161.1 Ų161.181%0.8181%0.806SS**PPolyproline II helixtrans-59.5124.2-169.9-35.50000112.2Q291 R295Q291-T293 PolarHBondContact O-N 3.37Å; T293-R295 PolarHBondContact O-N 3.23Å; T293-R295 VanDerWaalsContact O-N 3.11Å
294Q54.1Low53Low163 Ų163167.6 Ų167.676%0.76282%0.82SS**  trans-55.7114.8173.6-174.4175.5-3.700110P292 H296P292-Q294 PolarHBondContact O-N 3.2Å; Q294-H296 PolarHBondContact O-N 2.7Å
295R59.7Low53.3Low232 Ų232169.9 Ų169.988%0.87582%0.82SS**  trans-74109.3175.8-80.9-178.5157.8171.3-5.9109.1T293 L297T293-R295 PolarHBondContact O-N 3.23Å; T293-R295 VanDerWaalsContact O-N 3.11Å; R295-L297 PolarHBondContact O-N 3.14Å; R295-L297 VanDerWaalsContact O-N 3.1Å
296H54.2Low53.3Low157 Ų157169.4 Ų169.473%0.72781%0.812SS**  trans-66.2107167.3-78.4-102.1000109.5Q294Q294-H296 PolarHBondContact O-N 2.7Å
297L57.4Low53.6Low145 Ų145170.1 Ų170.176%0.75982%0.818SS**  trans-73125.6160.7-66.2168.5000107.2R295R295-L297 PolarHBondContact O-N 3.14Å; R295-L297 VanDerWaalsContact O-N 3.1Å
298N49.4Very low53.7Low156 Ų156167.4 Ų167.483%0.83481%0.812SS**  trans-90.2124.5167.6-65.3-91.8000106.6
299F49.5Very low53.8Low267 Ų267167.4 Ų167.4100%1.17182%0.815SS**  trans-87.60164.1-67.6-84.8000108.9

Retrieved 299 of 299 residues in 293.2 ms (Link to these results)