A0A5K4F1C7_SCHMA Loading...

GATA-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1C7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,072 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
1M36.4Very low40.5Very low248 Ų248135.5 Ų135.5100%1.22277%0.769SS**  0133.30-75.6156.5150.400107.1
2V28Very low40.7Very low126 Ų126138.8 Ų138.876%0.76476%0.762SS**  trans-129.2162.1179.7-177.50000106
3D33.9Very low40.5Very low149 Ų149141.7 Ų141.780%0.79776%0.757SS**  trans69.4146.9-175.6-47-54.5000113.4
4S39.7Very low40.9Very low104 Ų104145.6 Ų145.673%0.72776%0.755SS**  cis-138.917318.5-56.70000113.1
5N41.1Very low41Very low153 Ų153140.5 Ų140.582%0.81874%0.737SS**  trans111.556.1166.8-58.5-12.8000117.1
6A40.5Very low41Very low104 Ų104138.1 Ų138.186%0.8672%0.721SS**  trans-92.399159.800000110.5
7L43.9Very low41.1Very low145 Ų145136.5 Ų136.576%0.75971%0.713SS**  trans-69.9145.6167-107.671.7000110.3
8S45.2Very low41.2Very low66 Ų66135.5 Ų135.546%0.46270%0.704SS.*  trans-81.8147.1-16980.80000112.9K10 E11S8-K10 PolarHBondContact O-N 3.4Å; S8-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 PolarHBondContact O-N 3.27Å; S8-E11 PolarHBondContact OG-OE2 3.34Å
9S41.6Very low41.1Very low112 Ų112135.6 Ų135.678%0.78371%0.706SS**Hα-helixtrans-60.6-11-177.4-41.50000114.9
10K47.1Very low41.2Very low182 Ų182139.3 Ų139.379%0.79171%0.71SS**Hα-helixtrans-79.8-18.7175.7-77.6-176.4175.5175.80114S8S8-K10 PolarHBondContact O-N 3.4Å
11E48.6Very low41.1Very low102 Ų102139.8 Ų139.848%0.47771%0.713SS.*Hα-helixtrans-87.6-36.9-176.7-67.8171.2120.300111.8S8 Y13 R14 S15S8-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 PolarHBondContact O-N 3.27Å; S8-E11 PolarHBondContact OG-OE2 3.34Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.14Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.03Å; E11-S15 PolarHBondContact O-N 3.45Å
12Y42Very low40.9Very low174 Ų174136.8 Ų136.868%0.68269%0.69SS**Hα-helixtrans-53.6-47.9175.5-165.2-89.3000112.2R14 S15 E16Y12-R14 PolarHBondContact O-N 3.05Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; Y12-S15 PolarHBondContact O-N 3.31Å; Y12-E16 PolarHBondContact O-N 3.02Å
13Y38.8Very low41Very low177 Ų177141 Ų14169%0.69470%0.698SS**Hα-helixtrans-66.2-14.7-179.6-132-85000114.1E11E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.14Å
14R45.7Very low41Very low196 Ų196138.6 Ų138.674%0.7469%0.693SS**Hα-helixtrans-88.7-44.6179.3-137.6171.6-169.7162.32111.3E11 Y12 E16 L17 Q18E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.03Å; Y12-R14 PolarHBondContact O-N 3.05Å; Y12-R14 VanDerWaalsContact O-N 3.14Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.18Å; R14-L17 PolarHBondContact O-N 3.2Å; R14-Q18 PolarHBondContact O-N 3.49Å
15S42.1Very low40.6Very low69 Ų69141.7 Ų141.748%0.48370%0.701SS.*Hα-helixtrans-62.5-38.5177-60.60000112.9E11 Y12 L17 Q18 N19E11-S15 PolarHBondContact O-N 3.45Å; Y12-S15 PolarHBondContact O-N 3.31Å; S15-L17 PolarHBondContact O-N 3.49Å; S15-Q18 PolarHBondContact O-N 3.45Å; S15-N19 PolarHBondContact O-N 3.34Å
16E41.4Very low40.1Very low102 Ų102137.8 Ų137.848%0.47770%0.698SS.*Hα-helixtrans-73.1-28.1-175.9-163.9164.2-16500113.5Y12 R14Y12-E16 PolarHBondContact O-N 3.02Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.18Å
17L42.7Very low39.8Very low112 Ų112138.8 Ų138.859%0.58670%0.699SS**Hα-helixtrans-73.3-35.2167.7-77.2169.9000112.2R14 S15 R20R14-L17 PolarHBondContact O-N 3.2Å; S15-L17 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 3.4Å
18Q42.4Very low39.2Very low118 Ų118137.8 Ų137.855%0.55170%0.704SS**Hα-helixtrans-71.3-32.8-178-154.2158.3-5.200112.1R14 S15 R20R14-Q18 PolarHBondContact O-N 3.49Å; S15-Q18 PolarHBondContact O-N 3.45Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.34Å
19N40.5Very low38.7Very low138 Ų138143.6 Ų143.674%0.73872%0.723SS**THydrogen-bonded Turntrans-74.1-9.8174.3-76.2-12.9000114.8S15S15-N19 PolarHBondContact O-N 3.34Å
20R41.5Very low38.4Very low209 Ų209145.1 Ų145.179%0.78972%0.723SS**THydrogen-bonded Turntrans-94.14.4177-76-170.3175.9-129.6-0.2114.8L17 Q18L17-R20 PolarHBondContact O-N 3.4Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-R20 PolarHBondContact O-N 3.34Å
21L38.9Very low37.6Very low149 Ų149145.8 Ų145.878%0.7873%0.731SS**SBendtrans-125.36.2-172.5-70.8174.3000115.8
22Y32.9Very low37.1Very low186 Ų186149.3 Ų149.373%0.72975%0.745SS**  trans-101.492.8175.9-85.8-80.9000113
23F29.6Very low37Very low213 Ų213147.8 Ų147.893%0.93475%0.747SS**  trans-89.3127.4155.5-94.2-87.9000109.3
24S34.2Very low37.3Very low100 Ų100143.5 Ų143.570%0.69974%0.741SS**  trans-133.591.3175.5-71.90000111.9
25N31.4Very low37.5Very low168 Ų168144.2 Ų144.290%0.89875%0.745SS**  trans37.5106.4148.5-57.3-20.2000119.5
26G31.6Very low38.4Very low72 Ų72144.1 Ų144.174%0.74274%0.742SS**  trans-146.6111.3163.900000112.6
27S33.7Very low39.5Very low125 Ų125140.4 Ų140.487%0.87473%0.728SS**  trans32.2115166.159.40000119.9
28S31.4Very low40.6Very low124 Ų124141.1 Ų141.187%0.86774%0.737SS**  trans-79.4123.7170.1-49.20000113
29Q35.5Very low42.1Very low187 Ų187139.3 Ų139.387%0.87474%0.736SS**  trans-141130.6150.4-72.5-165.3-15.900109.7
30D34.3Very low43.8Very low144 Ų144134.4 Ų134.477%0.7771%0.712SS**  trans1096.8174.3-63.5-4.2000119.6K32D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.91Å
31M29.8Very low45.1Very low196 Ų196132.2 Ų132.297%0.96671%0.708SS**  trans-65.988.7154-79.2-171.2169.600110.4I33M31-I33 PolarHBondContact O-N 3.47Å
32K39.6Very low46.3Very low176 Ų176130.7 Ų130.777%0.76570%0.698SS**  trans-65.2120.3163.5-81.2-178.6177.5172.90109.3D30D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.91Å
33I38.3Very low47.1Very low143 Ų143127.4 Ų127.473%0.73369%0.692SS**  trans-52132174.1-60170.8000108.6M31 Y35M31-I33 PolarHBondContact O-N 3.47Å; I33-Y35 PolarHBondContact O-N 3.34Å
34P46.6Very low48Very low86 Ų86118.4 Ų118.456%0.55866%0.656SS**  trans-60.5114.3174-21.332.6000109.7
35Y48.8Very low48.4Very low212 Ų212119.9 Ų119.983%0.83166%0.663SS**PPolyproline II helixtrans-64.4126.4170.6-73.1-84.1000108.2I33 C37I33-Y35 PolarHBondContact O-N 3.34Å; Y35-C37 PolarHBondContact O-N 2.91Å
36P60.7Low49.1Very low66 Ų66114.1 Ų114.143%0.42964%0.636SS.*PPolyproline II helixtrans-61.2137.2178.825.8-34.1000109T38P36-T38 PolarHBondContact O-N 3.06Å
37C65.4Low50.1Low24 Ų24118.5 Ų118.516%0.16264%0.641CS.*PPolyproline II helixtrans-57.4127.7-178.2172.50000110Y35 C39 C40 K41 Q42 C52Y35-C37 PolarHBondContact O-N 2.91Å; C37-C39 PolarHBondContact O-N 3.42Å; C37-C39 VanDerWaalsContact O-N 3.13Å; C37-C40 VanDerWaalsContact CB-SG 3.6Å; C37-C40 PolarHBondContact O-N 2.96Å; C37-K41 WeakPolarHBondContact O-CA 3.46Å; C37-K41 PolarHBondContact O-N 3.09Å; C37-Q42 PolarHBondContact N-O 3.44Å; C37-C52 HydrophobicContact CB-CB 4.19Å
38T66.1Low50.9Low127 Ų127122.3 Ų122.378%0.77964%0.642SS**THydrogen-bonded Turntrans-58.4-29.1-176.745.20000113P36P36-T38 PolarHBondContact O-N 3.06Å
39C73.6Confident52Low80 Ų80119.2 Ų119.254%0.54162%0.62SS.*THydrogen-bonded Turntrans-77.4-45.9179.7-56.60000113.5C37 T57C37-C39 PolarHBondContact O-N 3.42Å; C37-C39 VanDerWaalsContact O-N 3.13Å; C39-T57 HydrophobicContact CB-CG2 4.22Å; C39-T57 PolarHBondContact SG-OG1 3.32Å; C39-T57 VanDerWaalsContact SG-OG1 3.41Å
40C76.6Confident53.2Low35 Ų35114.9 Ų114.924%0.23661%0.611CS.*THydrogen-bonded Turntrans-109.1-15.5-17369.40000115.3C37 Q42 C55C37-C40 VanDerWaalsContact CB-SG 3.6Å; C37-C40 PolarHBondContact O-N 2.96Å; C40-Q42 PolarHBondContact O-N 3.27Å; C40-Q42 PolarHBondContact SG-N 3.32Å; C40-Q42 VanDerWaalsContact SG-N 3.41Å; C40-C55 HydrophobicContact CB-CB 4.22Å
41K68.3Low54.6Low163 Ų163113.8 Ų113.871%0.70960%0.596SS**  trans55.619.5-170.5-62.7-164175.1-168.50115.7C37C37-K41 WeakPolarHBondContact O-CA 3.46Å; C37-K41 PolarHBondContact O-N 3.09Å
42Q63.2Low56.6Low118 Ų118105 Ų10555%0.55155%0.554SS**  trans-97.5158.4173.2-60.4-165.340.900111.4C37 C40 S44 D54C37-Q42 PolarHBondContact N-O 3.44Å; C40-Q42 PolarHBondContact O-N 3.27Å; C40-Q42 PolarHBondContact SG-N 3.32Å; C40-Q42 VanDerWaalsContact SG-N 3.41Å; Q42-S44 PolarHBondContact O-N 3.41Å; Q42-D54 WeakPolarHBondContact CB-OD2 3.32Å
43N51.3Low57.8Low116 Ų116100.4 Ų100.462%0.6255%0.548SS*.  trans-97.568.3-177.7-71.4-1.8000110.7P45N43-P45 WeakPolarHBondContact O-CD 3.32Å
44S47.2Very low59.4Low24 Ų2497.4 Ų97.417%0.16853%0.534CS..  trans-69.4120.2175.157.50000111.7Q42 S46 C52 D54Q42-S44 PolarHBondContact O-N 3.41Å; S44-S46 PolarHBondContact O-N 3.23Å; S44-C52 PolarHBondContact OG-SG 2.8Å; S44-C52 VanDerWaalsContact OG-SG 3.36Å; S44-D54 WeakPolarHBondContact CB-OD2 3.36Å
45P43.7Very low60.9Low132 Ų13295.5 Ų95.586%0.85752%0.522SS*.  trans-85.487.7-177.733.6-34000112.2N43N43-P45 WeakPolarHBondContact O-CD 3.32Å
46S44.8Very low61.7Low47 Ų4790.1 Ų90.133%0.32951%0.507SS..  trans-147.189.5171.654.90000113.4S44 F48S44-S46 PolarHBondContact O-N 3.23Å; S46-F48 PolarHBondContact O-N 3.2Å
47I54Low62Low163 Ų16389 Ų8984%0.83650%0.5SS*.THydrogen-bonded Turntrans-63.9-20.3175.3-64173.3000112.2
48F50.5Low61.6Low205 Ų20592.3 Ų92.390%0.89952%0.521SS*.THydrogen-bonded Turntrans-109.69.4-172.8-64-78.5000115.1S46S46-F48 PolarHBondContact O-N 3.2Å
49S54.1Low60.8Low59 Ų5989.7 Ų89.741%0.41351%0.512SS..  trans-104.9133.1175.9-177.40000111.4R51S49-R51 WeakPolarHBondContact CB-O 3.37Å; S49-R51 PolarHBondContact O-N 3.13Å; S49-R51 PolarHBondContact OG-N 3.36Å; S49-R51 VanDerWaalsContact OG-N 3.15Å; S49-R51 PolarHBondContact OG-O 3.17Å
50S60.3Low59.6Low96 Ų9691.6 Ų91.667%0.67152%0.516SS*.SBendtrans-73.2-5.1170.556.80000113.5P58 A59S50-P58 WeakPolarHBondContact O-CA 3.26Å; S50-A59 PolarHBondContact O-N 3.44Å
51R63.8Low57.8Low122 Ų12296.5 Ų96.546%0.4654%0.539SS..BIsolated β-bridgetrans-130.2144.5179.4-63-178.5170.4-162.5-7.9112.1S49 D56 T57S49-R51 WeakPolarHBondContact CB-O 3.37Å; S49-R51 PolarHBondContact O-N 3.13Å; S49-R51 PolarHBondContact OG-N 3.36Å; S49-R51 VanDerWaalsContact OG-N 3.15Å; S49-R51 PolarHBondContact OG-O 3.17Å; R51-D56 WeakPolarHBondContact CD-O 3.32Å; R51-D56 WeakPolarHBondContact CD-OD1 3.4Å; R51-D56 IonicContact CZ-OD1 3.87Å; R51-D56 IonicContact CZ-OD2 2.9Å; R51-D56 IonicContact NE-OD1 3.84Å; R51-D56 IonicContact NH1-OD1 2.78Å; R51-D56 PolarHBondContact NH1-OD1 3.46Å; R51-D56 IonicContact NH1-OD2 3.62Å; R51-D56 PolarHBondContact NH1-OD2 3.43Å; R51-T57 WeakPolarHBondContact CA-O 3.45Å
52C71.3Confident56Low12 Ų1297.9 Ų97.98%0.08154%0.542CS..  trans-69130.6171.6174.20000110.9C37 S44 D54 C55 D56 T57C37-C52 HydrophobicContact CB-CB 4.19Å; S44-C52 PolarHBondContact OG-SG 2.8Å; S44-C52 VanDerWaalsContact OG-SG 3.36Å; C52-D54 VanDerWaalsContact C-N 3.28Å; C52-D54 PolarHBondContact O-N 3.01Å; C52-C55 PolarHBondContact O-N 3.19Å; C52-C55 VanDerWaalsContact SG-SG 3.6Å; C52-D56 WeakPolarHBondContact O-CA 3.37Å; C52-D56 PolarHBondContact O-N 2.91Å; C52-T57 PolarHBondContact N-O 3.19Å
53A65Low54.6Low79 Ų7998.9 Ų98.965%0.65355%0.551SS**THydrogen-bonded Turntrans-61.4-32.9-177.200000113.6
54D71.3Confident53.7Low80 Ų80100.7 Ų100.743%0.42856%0.559SS.*THydrogen-bonded Turntrans-84.6-15.6-173.1-48.7-42.2000113.9Q42 S44 C52Q42-D54 WeakPolarHBondContact CB-OD2 3.32Å; S44-D54 WeakPolarHBondContact CB-OD2 3.36Å; C52-D54 VanDerWaalsContact C-N 3.28Å; C52-D54 PolarHBondContact O-N 3.01Å
55C78.8Confident52.7Low45 Ų45106.9 Ų106.930%0.30459%0.591SS.*THydrogen-bonded Turntrans-145.12.1-173.561.50000115.8C40 C52 T57C40-C55 HydrophobicContact CB-CB 4.22Å; C52-C55 PolarHBondContact O-N 3.19Å; C52-C55 VanDerWaalsContact SG-SG 3.6Å; C55-T57 PolarHBondContact O-N 3.36Å; C55-T57 PolarHBondContact SG-OG1 3.41Å
56D66.5Low52Low99 Ų99108.8 Ų108.853%0.52959%0.593SS.*  trans60.15.5172.4-152.530.9000115.5R51 C52R51-D56 WeakPolarHBondContact CD-O 3.32Å; R51-D56 WeakPolarHBondContact CD-OD1 3.4Å; R51-D56 IonicContact CZ-OD1 3.87Å; R51-D56 IonicContact CZ-OD2 2.9Å; R51-D56 IonicContact NE-OD1 3.84Å; R51-D56 IonicContact NH1-OD1 2.78Å; R51-D56 PolarHBondContact NH1-OD1 3.46Å; R51-D56 IonicContact NH1-OD2 3.62Å; R51-D56 PolarHBondContact NH1-OD2 3.43Å; C52-D56 WeakPolarHBondContact O-CA 3.37Å; C52-D56 PolarHBondContact O-N 2.91Å
57T65.8Low51.1Low44 Ų44111.3 Ų111.327%0.2761%0.61SS.*  trans-72.9137.7178.358.10000111.4C39 R51 C52 C55C39-T57 HydrophobicContact CB-CG2 4.22Å; C39-T57 PolarHBondContact SG-OG1 3.32Å; C39-T57 VanDerWaalsContact SG-OG1 3.41Å; R51-T57 WeakPolarHBondContact CA-O 3.45Å; C52-T57 PolarHBondContact N-O 3.19Å; C55-T57 PolarHBondContact O-N 3.36Å; C55-T57 PolarHBondContact SG-OG1 3.41Å
58P57.5Low49.9Very low93 Ų93109.4 Ų109.460%0.60461%0.607SS**BIsolated β-bridgetrans-64.7141.8174.329-34.9000111S50 I60S50-P58 WeakPolarHBondContact O-CA 3.26Å; P58-I60 PolarHBondContact O-N 3.28Å
59A48.8Very low49Very low72 Ų72105.2 Ų105.260%0.59560%0.598SS**  trans-68.1113.5176.600000110.8S50 N61S50-A59 PolarHBondContact O-N 3.44Å; A59-N61 PolarHBondContact O-N 2.84Å
60I48Very low47.7Very low120 Ų120110 Ų11062%0.61562%0.619SS**  trans-70101170.9-55.8177.3000107.5P58 Y62P58-I60 PolarHBondContact O-N 3.28Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 HydrophobicContact CB-CD2 4.31Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 3.76Å; I60-Y62 HydrophobicContact CG2-CE2 3.42Å; I60-Y62 VanDerWaalsContact CG2-CE2 3.42Å; I60-Y62 HydrophobicContact CG2-CG 4.48Å; I60-Y62 PolarHBondContact O-N 3.43Å
61N38.6Very low46.3Very low137 Ų137115.1 Ų115.173%0.73363%0.629SS**  trans-79.178.2-171.9-164.7-0.2000111.3A59 N63A59-N61 PolarHBondContact O-N 2.84Å; N61-N63 VanDerWaalsContact C-N 3.32Å; N61-N63 PolarHBondContact O-N 3.2Å
62Y31.8Very low44.7Very low193 Ų193113.7 Ų113.776%0.75764%0.638SS**  trans-70.884.5170.6-73.2-78000111I60I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 HydrophobicContact CB-CD2 4.31Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 3.76Å; I60-Y62 HydrophobicContact CG2-CE2 3.42Å; I60-Y62 VanDerWaalsContact CG2-CE2 3.42Å; I60-Y62 HydrophobicContact CG2-CG 4.48Å; I60-Y62 PolarHBondContact O-N 3.43Å
63N33.5Very low42.9Very low139 Ų139119 Ų11974%0.74367%0.665SS**  trans-123117.4152.8-85.9-69.3000109N61N61-N63 VanDerWaalsContact C-N 3.32Å; N61-N63 PolarHBondContact O-N 3.2Å
64L32.3Very low41.3Very low153 Ų153121.6 Ų121.680%0.80167%0.668SS**  trans-68159.4166.8-76.979.9000109.6L66L64-L66 PolarHBondContact O-N 2.96Å; L64-L66 VanDerWaalsContact O-N 3.09Å
65N26.3Very low39.3Very low154 Ų154125.4 Ų125.482%0.82469%0.689SS**  trans-46.6112178.3-60-28.9000113.1
66L29.5Very low37.2Very low173 Ų173128.6 Ų128.691%0.90671%0.709SS**  trans-116.298.4149.7-116.980.4000107.7L64L64-L66 PolarHBondContact O-N 2.96Å; L64-L66 VanDerWaalsContact O-N 3.09Å
67S25.8Very low35.5Very low99 Ų99130.2 Ų130.269%0.69272%0.718SS**  trans-107.7101.3-17855.30000110.9
68T28Very low33.8Very low124 Ų124133.9 Ų133.976%0.76174%0.742SS**  trans-143.298.4162.648.90000107.3
69T31.5Very low32.4Very low116 Ų116138 Ų13871%0.71275%0.751SS**  48.5113.277.370.60000113F71T69-F71 PolarHBondContact O-N 3.18Å
70N27.1Very low31.5Very low159 Ų159139.2 Ų139.285%0.8576%0.755SS**  trans-54.5131.1166.1-56.7-25.6000109.8
71F31.5Very low30.8Very low205 Ų205141.9 Ų141.990%0.89977%0.765SS**  trans-149.1144.4144.7-99.9-69.8000110T69T69-F71 PolarHBondContact O-N 3.18Å
72S29.5Very low30.5Very low91 Ų91143.4 Ų143.464%0.63677%0.765SS**  trans-84.9171.3170.8-1730000110.1
73D33.3Very low30.3Very low124 Ų124139.7 Ų139.766%0.66376%0.763SS**  trans70.5107.3160.1-63.9-76.7000119.5
74N31.2Very low30.3Very low133 Ų133142 Ų14271%0.71177%0.766SS**  54.684121.8-58.4-47000119.3
75N30.8Very low30.3Very low161 Ų161140.5 Ų140.586%0.86176%0.759SS**  -179.1154.7119.7-101-62.9000113.1
76P34.8Very low30.3Very low111 Ų111137.8 Ų137.872%0.72175%0.752SS**  trans-93.4137.4171.235-30.2000113.4
77N29.9Very low30.5Very low134 Ų134138.3 Ų138.372%0.71775%0.747SS**  trans46.8117.1148.2-1639.6000119.1F79N77-F79 PolarHBondContact OD1-N 3.29Å
78P30.7Very low30.7Very low120 Ų120137.7 Ų137.778%0.77974%0.742SS**  -144.7132.7113.636.1-21.7000117.1
79F28Very low31Very low179 Ų179140.5 Ų140.579%0.78574%0.744SS**  23.4127.6124.4-97.6-99.1000122.3N77N77-F79 PolarHBondContact OD1-N 3.29Å
80S28.6Very low31Very low99 Ų99142.7 Ų142.769%0.69275%0.752SS**  trans58.391.3136.565.80000121.5
81Q34.7Very low31.3Very low175 Ų175139.4 Ų139.482%0.81874%0.739SS**  trans-149.8144.6146.7-71.5-16216.100108.4
82F32.1Very low31.3Very low170 Ų170138.7 Ų138.775%0.74674%0.735SS**  cis-144.5149.2-11.6-129.3-73.2000109.2
83T28Very low31.3Very low115 Ų115139 Ų13971%0.70674%0.738SS**  trans-78.6148.9176.751.80000113.1
84F32.8Very low31.1Very low186 Ų186137.6 Ų137.682%0.81674%0.738SS**  trans-149.7128145.1-103.4-74.7000113.3
85L31.7Very low31.2Very low123 Ų123136.7 Ų136.764%0.64474%0.737SS**  trans24.4121.3158.5-60.5169.4000118.7
86S27Very low31.1Very low97 Ų97140.6 Ų140.668%0.67874%0.739SS**  cis67.4102.328.7101.60000116.1
87K33.6Very low30.9Very low184 Ų184141.9 Ų141.980%0.874%0.741SS**  trans164.3153.5151.6-91152.7-172.6174.10109.1
88S30.1Very low30.9Very low85 Ų85141.5 Ų141.559%0.59474%0.739SS**  cis167.6153.7-36.254.70000107.9
89K34.5Very low30.9Very low184 Ų184142.4 Ų142.480%0.873%0.732SS**  trans81.8108.5161.5-58.3176.8-177.7-176.50118.4
90D31.5Very low31Very low162 Ų162140.8 Ų140.887%0.86673%0.727SS**  -57.6150.9123.5-46.5-78.6000109.2
91P34Very low31.3Very low89 Ų89143.7 Ų143.758%0.57873%0.729SS**  -156.1170.2110.640.5-23.9000116.7
92F31.7Very low31.1Very low190 Ų190141.7 Ų141.783%0.83372%0.724SS**  trans70.4130.6160.3-61.6-54000116.6
93S28.7Very low31.1Very low99 Ų99142.1 Ų142.169%0.69273%0.726SS**  72.3131.953.7-157.70000110.4
94S29.7Very low31.4Very low93 Ų93142.2 Ų142.265%0.6573%0.726SS**  cis-174.8166.310.718.30000110.6
95V31.8Very low31.4Very low115 Ų115139.9 Ų139.970%0.69772%0.722SS**  trans71150.1149.8159.70000114.1
96W30.3Very low31.5Very low242 Ų242139.6 Ų139.692%0.91772%0.721SS**  cis-124.1163.416.1-117.3-63.6000114.1
97N30Very low31.7Very low139 Ų139142 Ų14274%0.74373%0.727SS**  trans-82.3166.3161.3-76.2-18.6000111.7
98N29.5Very low31.8Very low126 Ų126138.8 Ų138.867%0.67473%0.728SS**  trans80.8128.5145.2-83.429.1000121.9
99E31.8Very low32.1Very low138 Ų138142.5 Ų142.565%0.64574%0.74SS**  85.1101.2128.7-69.2179.3110.200122.8
100Q29.6Very low32.5Very low145 Ų145138.8 Ų138.868%0.67873%0.734SS**  80.5158.5127.9-59.3-174.54600119.6
101H34.3Very low32.7Very low160 Ų160136.9 Ų136.974%0.74173%0.734SS**  trans65.2115.7-179.6-59.3-90.2000115.8
102N30.3Very low32.8Very low133 Ų133141.8 Ų141.871%0.71175%0.746SS**  90.3129.655.3-94.4-24.7000114.5
103F32.2Very low33.1Very low180 Ų180138.8 Ų138.879%0.78974%0.743SS**  trans84.1117153.1-81.5-131.5000121.6
104V34.9Very low33.8Very low117 Ų117138.9 Ų138.971%0.70974%0.741SS**  71.295.1123.7-176.60000120.8
105N31.8Very low34Very low136 Ų136139.7 Ų139.773%0.72775%0.747SS**  70.4149.8109.5-141.617000123.8
106N33.6Very low34.7Very low117 Ų117140 Ų14063%0.62675%0.751SS**  trans82.1103.5156.2-62.9-32.5000124.1
107N33Very low35Very low147 Ų147134.5 Ų134.579%0.78675%0.745SS**  39.4128.3120.1-55.8-15.7000124
108S34.8Very low35.3Very low118 Ų118134.7 Ų134.783%0.82575%0.745SS**  165.5173.4129-76.20000112.8
109L35.8Very low35.6Very low163 Ų163133 Ų13385%0.85374%0.744SS**  -160.9-158.5-58.8-144.975.8000108.9
110P43.3Very low35.7Very low105 Ų105131.7 Ų131.768%0.68275%0.75SS**  -130.8-174.7-129.745.9-27.1000118.4
111S35Very low35.8Very low123 Ų123131.5 Ų131.586%0.8675%0.752SS**  trans168.2-177.2139.7-77.30000114.9
112K35.8Very low35.9Very low192 Ų192129.3 Ų129.384%0.83575%0.75SS**  -168.4170.4-84.2-159.1-178.5-177.2-174.60112.9
113V39.7Very low36Very low127 Ų127128.5 Ų128.577%0.7775%0.75SS**  trans86.6164.2156.4-108.80000122.1
114P42.2Very low35.9Very low100 Ų100126.8 Ų126.865%0.64975%0.749SS**  -150-177.4-110.951.3-31.3000123.4
115S33.9Very low35.8Very low111 Ų111129.6 Ų129.678%0.77675%0.752SS**  trans87.2164.4135.176.90000125.5
116P46.3Very low35.7Very low120 Ų120127.3 Ų127.378%0.77975%0.745SS**  trans-132.2-160.4-151.547.6-32.4000117.6
117V37.2Very low35.6Very low128 Ų128128.3 Ų128.378%0.77675%0.75SS**  trans-177.9136.4154.3132.70000118.4
118N36Very low35.6Very low142 Ų142129.3 Ų129.376%0.75975%0.75SS**  trans48.7159.3147.8-64.20.7000125.4
119S35.4Very low35.4Very low92 Ų92132.3 Ų132.364%0.64375%0.749SS**  cis-175.8137.6-13.351.10000116.7
120S34.6Very low35.1Very low110 Ų110128.9 Ų128.977%0.76974%0.739SS**  trans63.1166.5135.3-49.80000122.3
121L32.7Very low34.4Very low140 Ų140129.6 Ų129.673%0.73374%0.741SS**  cis-165.7165.8-6.4-143.269.9000114.4
122T34.8Very low34Very low114 Ų114127.8 Ų127.870%0.69973%0.728SS**  trans64.3152150.239.70000123.5
123T32.6Very low33.7Very low116 Ų116127.5 Ų127.571%0.71273%0.727SS**  cis-176.3152.9-3022.50000114.5
124L30.6Very low33.1Very low144 Ų144127.8 Ų127.875%0.75472%0.723SS**  trans79.5107.9142.5-72.6164.3000125.6
125K32.6Very low32.4Very low177 Ų177129 Ų12977%0.7772%0.724SS**  63.6134.1113.9-88.1-163.1165.8-1580126.8
126C30.6Very low32Very low88 Ų88129.4 Ų129.460%0.59572%0.717SS**  trans68.3157.3131.3-63.50000121
127D31.1Very low31.2Very low137 Ų137133.7 Ų133.773%0.73372%0.718SS**  cis-166.3172.7-18.3-98.8-21.7000111.6
128E32.1Very low30.7Very low168 Ų168133.9 Ų133.979%0.78571%0.714SS**  trans79.3170.8148.2-89.5-179.2-169.400124.7
129F30.9Very low30.3Very low181 Ų181132.2 Ų132.279%0.79471%0.709SS**  trans75.2137.2176.6-64.3-91.6000119.8
130S29.9Very low30Very low91 Ų91134.5 Ų134.564%0.63671%0.713SS**  cis-163.9170.9-25.7-135.20000115.3
131T28.2Very low29.8Very low121 Ų121138.3 Ų138.374%0.74272%0.718SS**  trans-16.3164.4161.5570000121.6
132S27.8Very low29.7Very low84 Ų84138.6 Ų138.659%0.58772%0.72SS**  cis170.9152.7-26.568.70000109.3
133K29Very low29.7Very low187 Ų187138.2 Ų138.281%0.81372%0.722SS**  trans66.1155.9152.5-70.1172.7177.6175.50116.3
134I26.8Very low29.6Very low132 Ų132137.9 Ų137.968%0.67772%0.72SS**  cis-157.9154.4-12.1-121.8168.5000111
135N26.6Very low29.6Very low126 Ų126137.3 Ų137.367%0.67472%0.718SS**  trans63.7117.7155.5-77.5-4.5000124.3
136L27.2Very low29.6Very low120 Ų120136.1 Ų136.163%0.62872%0.715SS**  84.6103.2115.5-69.6173.3000122.7
137R27.7Very low29.4Very low210 Ų210139 Ų13979%0.79272%0.724SS**  88.3160.4117.5-110.2-178.1-164.4148.65120
138N27.6Very low29.4Very low132 Ų132136.4 Ų136.471%0.70672%0.721SS**  trans74.8140165.9-62.4-0.2000115.1
139T28.5Very low29.2Very low107 Ų107135.4 Ų135.466%0.65672%0.72SS**  cis-160.3156.3-7.311.70000111.4
140I28.3Very low29.1Very low140 Ų140131.5 Ų131.572%0.71872%0.715SS**  trans27.1128.5143.3-33.5152.7000119.3
141E29.7Very low29Very low189 Ų189132.8 Ų132.888%0.88372%0.715SS**  177.5171112.5-93.5-170.2-177.400115
142L30.2Very low29.3Very low146 Ų146134.1 Ų134.176%0.76471%0.712SS**  trans-114.7155.4-166.9-68.579.6000113.1
143S34.8Very low29.5Very low107 Ų107136.4 Ų136.475%0.74872%0.718SS**  trans-161.4120.7136.96.60000107.6
144T31.2Very low29.6Very low109 Ų109133.3 Ų133.367%0.66971%0.71SS**  71.1143.36361.50000115.4
145N30.1Very low29.9Very low131 Ų131130.9 Ų130.970%0.70171%0.705SS**  trans74.5140.1170.9-56.6-36.8000116.4
146Q33Very low30.1Very low152 Ų152136 Ų13671%0.7172%0.715SS**  cis-162.3165.2-1.4-117.7159.32000111.4
147L27.6Very low30.1Very low149 Ų149136.5 Ų136.578%0.7873%0.727SS**  trans14.3130.6144.7-58.2162000119
148A29.8Very low30.4Very low83 Ų83129 Ų12969%0.68672%0.716SS**  179.1124.891.600000114.9
149I28.3Very low30.9Very low147 Ų147131 Ų13175%0.75473%0.727SS**  50.5140.4121.3-48.7164.2000119.9
150S28.5Very low30.9Very low99 Ų99133.2 Ų133.269%0.69273%0.731SS**  trans74.6145.1154.652.70000121.1
151N29.3Very low31.3Very low117 Ų117135.9 Ų135.963%0.62674%0.741SS**  cis-178.6178.6-32.7-109.612.7000108.1
152E32.5Very low31.3Very low149 Ų149132.6 Ų132.670%0.69673%0.728SS**  trans39.1136.6132.8-62.6153.7177.600119.6
153D33.3Very low31.4Very low133 Ų133132.6 Ų132.671%0.71173%0.727SS**  cis-171-178.310.8-126.4-22.2000115.8
154D31.7Very low31.5Very low121 Ų121134.6 Ų134.665%0.64773%0.729SS**  trans6490.2143.1-91.3-26.9000123.1
155S31.7Very low31.6Very low81 Ų81136 Ų13657%0.56673%0.733SS**  66162.194.987.40000124.1
156R31.4Very low31.8Very low234 Ų234139.7 Ų139.788%0.88374%0.742SS**  trans70.3151.7156.1-72.1168.2176.3-1680.2118
157C27.7Very low31.8Very low130 Ų130135.7 Ų135.788%0.87874%0.742SS**  cis-172168-24.1-164.60000106.7
158G33.7Very low32.1Very low54 Ų54134 Ų13456%0.55774%0.738SS**  trans106139.4168.400000114
159D37.3Very low32.2Very low174 Ų174137.7 Ų137.793%0.9374%0.741SS**  cis-144.9166.2-1.2-82.6-50000112.2
160M29Very low32.6Very low153 Ų153138.3 Ų138.375%0.75474%0.741SS**  trans-116.8142.2177.2-54-176.7-65.200111.7I162M160-I162 HydrophobicContact CB-CD1 3.92Å; M160-I162 HydrophobicContact CB-CG1 3.68Å; M160-I162 HydrophobicContact CE-CD1 4.22Å; M160-I162 HydrophobicContact CE-CG1 4.43Å; M160-I162 WeakPolarHBondContact O-CD1 3.38Å
161E36.2Very low33Very low196 Ų196138.4 Ų138.492%0.91673%0.734SS**  trans-140.1100147.4-76.9-170154.100105.6
162I29.6Very low33.4Very low120 Ų120138.3 Ų138.362%0.61573%0.733SS**  73.6144.652.9-41.1158000112.3M160M160-I162 HydrophobicContact CB-CD1 3.92Å; M160-I162 HydrophobicContact CB-CG1 3.68Å; M160-I162 HydrophobicContact CE-CD1 4.22Å; M160-I162 HydrophobicContact CE-CG1 4.43Å; M160-I162 WeakPolarHBondContact O-CD1 3.38Å
163I32.7Very low33.4Very low145 Ų145136.8 Ų136.874%0.74473%0.73SS**  trans79.6117.9170.1-43.3-177.9000113.1
164N37.6Very low33.2Very low150 Ų150137 Ų13780%0.80273%0.729SS**  cis-148.7158.339.3-139.3-22.6000115
165N31.9Very low33.2Very low138 Ų138142.3 Ų142.374%0.73874%0.74SS**  trans-111.3154.6178.6-66.2-75.7000111.5
166K34.4Very low33Very low208 Ų208142.9 Ų142.990%0.90474%0.744SS**  159.5142.6111.9-89.6177.4178.8-179.40114.7
167G33.2Very low32.8Very low68 Ų68141.8 Ų141.870%0.70174%0.742SS**  trans86.5139.8153.500000115.8
168T34.2Very low32.8Very low115 Ų115143 Ų14371%0.70673%0.734SS**  cis-158.2158.9-5.324.70000109.2
169E32.7Very low32.6Very low159 Ų159149.9 Ų149.974%0.74375%0.752SS**  trans23.8141.1146.8-67.7112.4-125.600120.7
170E35.4Very low32.1Very low161 Ų161146.5 Ų146.575%0.75274%0.737SS**  cis-169.2165.78-119.9-160.7-132.500108
171N36.5Very low32.1Very low101 Ų101146.5 Ų146.554%0.5474%0.739SS.*  cis-168.2173.6-9.2-149.8-13.6000110.8
172N38Very low31.6Very low114 Ų114144.5 Ų144.561%0.6173%0.729SS**  trans57.9150.8151.3-59.8-41000120.5
173N33.6Very low31.5Very low117 Ų117143.8 Ų143.863%0.62673%0.73SS**  cis-160.4141.7-24.9-97.6-28.2000106
174I28.8Very low31.4Very low137 Ų137143 Ų14370%0.70373%0.728SS**  70.289.957.4-56.4176.9000114.6
175R32.3Very low30.9Very low233 Ų233143.2 Ų143.288%0.87973%0.729SS**  174.1138.1125.1-100.5164.8169.7162.1-2.3109.8
176S27.6Very low30.7Very low93 Ų93139.9 Ų139.965%0.6572%0.72SS**  cis107.313311.2-57.20000115.5
177Y27.2Very low30.4Very low211 Ų211140 Ų14083%0.82772%0.717SS**  trans81.8108.7164.3-74.4-77000121.8
178H27Very low30.3Very low157 Ų157144.1 Ų144.173%0.72772%0.717SS**  35130.4125.1-78.8-106.9000120.5
179Q29Very low30.1Very low198 Ų198144.7 Ų144.793%0.92571%0.713SS**  -147.8158.7107.5-118.8169.7-5.900112.9
180V27Very low30Very low103 Ų103143.7 Ų143.762%0.62471%0.713SS**  trans-124.7140.1-175.9170.90000108.5
181I28.7Very low29.9Very low153 Ų153143.1 Ų143.179%0.78571%0.711SS**  trans175.9116.1160.2-94.9148.2000104.8
182H27Very low29.9Very low154 Ų154143.4 Ų143.471%0.71372%0.721SS**  52.913484.2-70.6-80.9000112.9
183T27.9Very low29.6Very low104 Ų104145.4 Ų145.464%0.63873%0.731SS**  cis-160.216615.4-5.90000111.7
184D29Very low29.5Very low128 Ų128144.5 Ų144.568%0.68473%0.732SS**  trans60112.2148.1-53.8-30.5000123.7
185N27.7Very low29.7Very low155 Ų155146.2 Ų146.283%0.82974%0.742SS**  28.3144.1120.3-53.6-43.1000119.8
186A28.4Very low29.7Very low68 Ų68143 Ų14356%0.56274%0.742SS**  cis-173174.541.700000114.2
187Y27.4Very low29.8Very low212 Ų212146.6 Ų146.683%0.83175%0.753SS**  trans71153159.2-57.7-58000118.4
188H31.6Very low30Very low153 Ų153146 Ų14671%0.70876%0.755SS**  cis-149.31421.6-149-96.7000113.8
189M28.6Very low30.2Very low127 Ų127146.3 Ų146.363%0.62676%0.761SS**  trans10.2134.4158.7-58.1-69.8-178.900123.7
190N32.1Very low30.1Very low139 Ų139145.4 Ų145.474%0.74376%0.761SS**  165152.6105.2-89.7-31.9000113.2
191Q33.4Very low30.2Very low149 Ų149145 Ų14570%0.69676%0.763SS**  cis-166.1159.9-37.2-128.3-170.536.200110.2
192S35.5Very low30.1Very low107 Ų107145 Ų14575%0.74877%0.765SS**  trans68.6149.4174.282.10000117
193N31.5Very low30.2Very low155 Ų155142.9 Ų142.983%0.82977%0.766SS**  cis-139.2140.34.4-135.9-3000111.4
194P31.4Very low30.1Very low99 Ų99145.3 Ų145.364%0.64378%0.775SS**  trans-100.2159.4-169.838.6-34.2000114
195N34.6Very low30Very low172 Ų172147.6 Ų147.692%0.9278%0.782SS**  trans-174.236.7138.5-101.3-47.7000113.3
196L31.3Very low30Very low165 Ų165148.8 Ų148.886%0.86479%0.787SS**  trans-103.762.4175.8-159159.3000109.9
197L28.6Very low29.9Very low170 Ų170150.4 Ų150.489%0.8979%0.79SS**  trans-156.965.9171.8-142.2102.1000114.1
198K31.6Very low29.8Very low198 Ų198150.6 Ų150.686%0.86179%0.789SS**SBendtrans-154.2130.6156-117.5166.6-174.7172.60110.4
199L31.8Very low29.6Very low164 Ų164150.4 Ų150.486%0.85979%0.793SS**  trans63.752.5-175.4-69.385.8000116.1
200L26.3Very low29.5Very low179 Ų179149.8 Ų149.894%0.93780%0.802SS**  -88.5112.1118.3-89171.1000107
201S29.1Very low29.3Very low94 Ų94148.3 Ų148.366%0.65780%0.802SS**  trans-161.3110.7164.1-171.80000110.2
202N28.5Very low29Very low153 Ų153147.3 Ų147.382%0.81881%0.806SS**  trans46.7122.3150.9-60.2-11000121.1
203C27.8Very low28.6Very low110 Ų110150.5 Ų150.574%0.74381%0.809SS**  trans-66172.1151.7-67.70000111.5
204N26.3Very low28.4Very low154 Ų154149.5 Ų149.582%0.82481%0.808SS**  trans76.9148.3177.3-45.1-48.5000113.1
205Q27.3Very low28.4Very low177 Ų177152.4 Ų152.483%0.82782%0.818SS**  cis-132.2156.223.8-61.8176400114.7
206L28Very low28.1Very low179 Ų179149.4 Ų149.494%0.93781%0.808SS**  trans-81.2112.4171.4-80.3153.1000111.6
207V25.4Very low27.9Very low103 Ų103146.4 Ų146.462%0.62480%0.8SS**  trans-152.1135.7170.7-175.60000109.5
208R25.5Very low27.7Very low215 Ų215145.7 Ų145.781%0.81180%0.796SS**  cis-146.8137.4-29.4-96.9166.3-166.3148.54.5104
209N26.9Very low27.5Very low149 Ų149147 Ų14780%0.79780%0.798SS**  61.5146.372.3-80.83.8000115.8
210S27Very low27.3Very low115 Ų115143.8 Ų143.880%0.80479%0.789SS**  trans69.9127.3-166.5660000114.4
211S28.6Very low27.4Very low107 Ų107141.2 Ų141.275%0.74878%0.783SS**  cis-136.5148.9-5.4-64.30000108.4
212V26Very low27.4Very low128 Ų128144.1 Ų144.178%0.77679%0.79SS**  cis71.7138.943.3-170.90000112
213E26.3Very low27.6Very low175 Ų175142 Ų14282%0.81879%0.785SS**  trans76.4134.2-174.4-49.3-171.2172.200115.9
214T28.5Very low27.8Very low133 Ų133142.7 Ų142.782%0.81679%0.791SS**  cis-156.9149.6-16.410.90000110.7
215L30.4Very low27.8Very low161 Ų161143.5 Ų143.584%0.84379%0.794SS**  trans-77.3157.7153.6-85.6158.7000108.4
216P28.7Very low28Very low109 Ų109140.1 Ų140.171%0.70879%0.79SS**  cis-151.8-146.944.144.2-21.9000115.2
217S27.2Very low28.1Very low101 Ų101137 Ų13771%0.70678%0.783SS**  trans67.8129.5-179.966.60000115.7
218L24.6Very low28.3Very low155 Ų155137.7 Ų137.781%0.81279%0.787SS**  cis77.6144.334-58170.2000114.3
219Y26.4Very low28.5Very low226 Ų226134 Ų13489%0.88678%0.784SS**  trans77.2118179.7-71.8-82.7000118.9
220S27.5Very low28.8Very low97 Ų97132.4 Ų132.468%0.67878%0.779SS**  trans-77.4152.3166.250.90000112.6
221P29.6Very low29Very low124 Ų124134.1 Ų134.181%0.80578%0.779SS**  trans-102.9108158.934-25.9000112.3
222L28.1Very low29.1Very low156 Ų156137.1 Ų137.182%0.81778%0.781SS**  trans-113.7159.1138.7-94.486.2000106.7
223P34Very low29.6Very low109 Ų109134 Ų13471%0.70876%0.764SS**  cis-125.2-179.5-18.938.8-24.9000111.7
224S31.8Very low29.9Very low123 Ų123136.1 Ų136.186%0.8677%0.77SS**  trans-131.1126.4155.650.20000110.4
225L26.4Very low30.1Very low172 Ų172135.6 Ų135.690%0.90176%0.763SS**  trans-92.1127.5-179.5-80.1147.1000110.4
226S30.4Very low30.2Very low106 Ų106134 Ų13474%0.74176%0.755SS**  trans-162.5125.1148.251.90000112.3
227S31.1Very low30.4Very low113 Ų113136.1 Ų136.179%0.7976%0.755SS**  trans55.6143.6144.649.80000121.4
228V30Very low30.6Very low117 Ų117139.1 Ų139.171%0.70976%0.756SS**  cis-164.3138.5-16.2106.50000108.2
229N29.2Very low31Very low139 Ų139136.6 Ų136.674%0.74375%0.747SS**  trans58.2170.2167.3-54.2-11.8000115.6
230T32.6Very low31.1Very low114 Ų114135.1 Ų135.170%0.69974%0.739SS**  cis-152.714014.1-35.50000110.1
231L31.1Very low31.3Very low152 Ų152136.5 Ų136.580%0.79674%0.739SS**  trans31.7149.8146.1-63.2177.4000121.6
232H31.7Very low31.4Very low169 Ų169136.6 Ų136.678%0.78273%0.732SS**  cis-168.9-165.3-17.7-144.7-149.4000105.9
233P36Very low31.5Very low64 Ų64133.5 Ų133.542%0.41672%0.724SS.*  trans-133.6-168.4-136.540.8-16.5000114.7N235P233-N235 HydrophobicContact CB-CB 4.21Å; P233-N235 HydrophobicContact CG-CB 4.32Å
234F33.4Very low31.5Very low218 Ų218135.3 Ų135.396%0.95673%0.727SS**  trans-175.195.4147.4-87-62.3000105.6
235N31.7Very low31.6Very low123 Ų123136.4 Ų136.466%0.65872%0.72SS**  cis85.9137.226.4-142.432.4000115.1P233P233-N235 HydrophobicContact CB-CB 4.21Å; P233-N235 HydrophobicContact CG-CB 4.32Å
236N33.2Very low32Very low127 Ų127134.8 Ų134.868%0.67971%0.712SS**  trans72.1148.1176.5-55.8-2.6000116.6
237H33.4Very low32.2Very low154 Ų154136.3 Ų136.371%0.71371%0.711SS**  cis-154.8143.2-16.2-130.7-76.2000106.9
238F30.4Very low32.2Very low164 Ų164137.3 Ų137.372%0.71971%0.708SS**  cis109.391.5-0.1-153.3-87.7000116.3
239T32.1Very low32.4Very low102 Ų102138.5 Ų138.563%0.62672%0.716SS**  trans76.6167.515769.50000118.3
240R30.6Very low32.8Very low194 Ų194137.7 Ų137.773%0.73272%0.721SS**  cis-172.8141.827.9-156.8163.9173.4-164.4-4.4117.9
241L30.5Very low32.7Very low126 Ų126140.4 Ų140.466%0.6672%0.723SS**  trans53.9169.8148-72.8176000120.2
242D32.6Very low32.8Very low126 Ų126139 Ų13967%0.67472%0.724SS**  cis-160.8168.914.6-121.5-31.8000108
243S30Very low32.8Very low92 Ų92136.3 Ų136.364%0.64372%0.715SS**  cis-172.4-169.6-10.6-135.80000110.4
244L32.9Very low32.4Very low147 Ų147137.3 Ų137.377%0.7772%0.724SS**  trans76.5146.2167-47.8171.9000116.5
245M33.5Very low32.2Very low145 Ų145134.3 Ų134.371%0.71471%0.713SS**  cis-141.1164.59.3-79.5-62.7-16600112.2
246L35Very low32.2Very low139 Ų139135.3 Ų135.373%0.72872%0.718SS**  trans23.2150.1148.6-79.860.1000121.5
247D35.2Very low31.8Very low137 Ų137139.7 Ų139.773%0.73373%0.727SS**  cis-151.7-17719.7-135.7-33.4000114.4
248N30.9Very low31.5Very low135 Ų135139.9 Ų139.972%0.72273%0.731SS**  trans-110.2174.3-158.6-76.3-84.6000119
249T35.2Very low31.3Very low142 Ų142137.9 Ų137.987%0.87173%0.733SS**  trans98.4138168.970.70000116.8
250S36.1Very low31Very low122 Ų122142 Ų14285%0.85375%0.745SS**  cis-140.3166.6-1.258.20000113.7
251K32.3Very low31.1Very low171 Ų171141.8 Ų141.874%0.74375%0.749SS**  trans-85.5152.8-167.2-69.8178.2173.8-178.10116.6L253K251-L253 HydrophobicContact CB-CD1 4.5Å; K251-L253 HydrophobicContact CB-CG 4.26Å; K251-L253 HydrophobicContact CD-CD1 4.19Å; K251-L253 HydrophobicContact CD-CD2 4.24Å; K251-L253 HydrophobicContact CD-CG 4.25Å
252C31.2Very low31.1Very low121 Ų121143.9 Ų143.982%0.81876%0.758SS**  -166.195.7117.6-94.80000107.7
253L31.7Very low31.1Very low114 Ų114145.3 Ų145.360%0.59776%0.76SS**  62.1122.787.5-60.6174.1000111.7K251K251-L253 HydrophobicContact CB-CD1 4.5Å; K251-L253 HydrophobicContact CB-CG 4.26Å; K251-L253 HydrophobicContact CD-CD1 4.19Å; K251-L253 HydrophobicContact CD-CD2 4.24Å; K251-L253 HydrophobicContact CD-CG 4.25Å
254S28.6Very low31.3Very low85 Ų85149 Ų14959%0.59477%0.767SS**  cis61.6143.444.992.90000112.4
255E29.1Very low31.5Very low154 Ų154147.6 Ų147.672%0.7276%0.761SS**  cis-165.5179.316.8-145.4148.7-15000109.9
256N31Very low31.5Very low144 Ų144146.2 Ų146.277%0.7776%0.756SS**  trans69.9132.8170-43.9-46.5000116
257Y25.8Very low31.6Very low220 Ų220147.4 Ų147.486%0.86376%0.758SS**  cis79.4134.910.8-120.9-73.6000117.5
258I26.5Very low31.5Very low157 Ų157146 Ų14681%0.80576%0.755SS**  trans85.8150.1175-51.5-173.1000116.3
259T26.3Very low31.8Very low122 Ų122148.2 Ų148.275%0.74876%0.758SS**  trans-108.6177.2-150.6430000116.1
260E26.6Very low31.9Very low190 Ų190146.6 Ų146.689%0.88874%0.744SS**  trans107.5164.4151.2-87.8178.2174.600120.3
261K31.7Very low32Very low188 Ų188148.5 Ų148.582%0.81774%0.739SS**  trans-107.1158.4-147.8-56.3177177.7-1780114
262M30Very low32.3Very low170 Ų170146.7 Ų146.784%0.83774%0.738SS**  trans164.6158.6130.6-91.4169.7166.100109.2
263E33.8Very low32.6Very low157 Ų157146.9 Ų146.973%0.73473%0.731SS**  cis-162.1-153-34.7-160.4140.6-120.900107
264E34.7Very low32.8Very low168 Ų168148.4 Ų148.479%0.78574%0.74SS**  trans74.7136.5179.1-60.9-154.8-163.300117.2
265N36Very low33.2Very low119 Ų119149.8 Ų149.864%0.63674%0.744SS**  cis-158.4162.6-8.8-126.2-38000114.5
266N34.8Very low33.5Very low116 Ų116148.7 Ų148.762%0.6274%0.743SS**  trans91102.9158.3-61.4-47.2000124.4
267Q35.3Very low33.8Very low163 Ų163147.7 Ų147.776%0.76273%0.734SS**  74.3137.7122.8-62.5169.428.500121.9
268T34Very low34.3Very low109 Ų109145 Ų14567%0.66973%0.727SS**  cis-170.9141.7-13.617.40000114.1
269K36.9Very low34.8Very low180 Ų180141.7 Ų141.778%0.78372%0.717SS**  trans69.1151.3144.9-64.5-178.1177.4-1720121.7
270N37Very low35.4Very low108 Ų108143 Ų14358%0.57872%0.72SS**  cis-172.4156.3-13.9-110.425.5000113.1
271E37.9Very low36.1Very low163 Ų163140.5 Ų140.576%0.76271%0.712SS**  trans63.6148.7142.8-70.3154.4161.400122.5
272D38.9Very low36.3Very low133 Ų133140.4 Ų140.471%0.71171%0.708SS**  cis-172.9150.5-24.4-123.332.7000115.6
273N38.5Very low36.7Very low125 Ų125138.9 Ų138.967%0.66870%0.701SS**  trans75.2140.6147.1-66.1-44.7000129.5
274N36.4Very low36.8Very low146 Ų146138 Ų13878%0.78170%0.701SS**  trans72.8154.1141.1-78.8-17000124.1
275V36.4Very low36.8Very low113 Ų113135.1 Ų135.169%0.68570%0.7SS**  cis-172.3167.6-27.987.70000112
276N35.9Very low36.7Very low131 Ų131139 Ų13970%0.70171%0.711SS**  trans69.4159.2162.6-86.211.3000120.6
277E36.1Very low36.7Very low124 Ų124138.5 Ų138.558%0.57971%0.713SS**  cis-167.7154.6-29.4-131-165.7164.600111.3
278K36.8Very low36.4Very low164 Ų164136.3 Ų136.371%0.71371%0.712SS**  trans62.9160.3152.9-79.5167.1-174.2139.10119.6
279S37.9Very low36.2Very low86 Ų86141.3 Ų141.360%0.60172%0.72SS**  cis-163.4147-4.938.40000112.1
280D38.5Very low36.1Very low150 Ų150138.2 Ų138.280%0.80272%0.718SS**  trans61.3154.8149.9-44.6-23.3000119.4
281D39.7Very low35.6Very low138 Ų138139.3 Ų139.374%0.73872%0.724SS**  cis-152.7157.714.2-147.9-7.3000115.6
282Y36.5Very low35.2Very low185 Ų185139.5 Ų139.573%0.72572%0.722SS**  trans46.8114.9156.4-106-123.9000126.4
283M39.7Very low34.7Very low139 Ų139140.6 Ų140.669%0.68573%0.728SS**  56.7146.6124-59.9-53.7176.900123.1
284D35.7Very low34.3Very low139 Ų139139.7 Ų139.774%0.74373%0.732SS**  cis-168.8-177.5-16.5-172.218.2000109.3
285S34.9Very low33.9Very low107 Ų107139.5 Ų139.575%0.74873%0.73SS**  trans82.194.6161.9-66.30000120.2
286K32.1Very low33.5Very low201 Ų201144.2 Ų144.287%0.87474%0.735SS**  trans-61.5179156.3-87.1176.1-178.11710113.6
287P36.6Very low33.1Very low104 Ų104145.2 Ų145.268%0.67574%0.737SS**  cis-141.5-179.3-2934-13.7000115.8
288T27.5Very low32.7Very low118 Ų118143 Ų14372%0.72474%0.736SS**  trans93.7124.1149-310000119.6
289Y30.7Very low32.6Very low214 Ų214141.8 Ų141.884%0.83974%0.737SS**  trans-3.8146.1156.5-62.5-73.6000119.7
290P33.5Very low32.2Very low115 Ų115144.3 Ų144.375%0.74774%0.744SS**  -159.3169.754.246.3-26.1000121
291N27.3Very low31.8Very low130 Ų130142 Ų14270%0.69574%0.738SS**  trans62.4136.6144.1-137.9-1.4000122.9
292K29.9Very low31.6Very low167 Ų167140.5 Ų140.573%0.72674%0.735SS**  trans67.7121.8156.1-75.1158.6-175.4179.20121.7
293N29.2Very low31.5Very low157 Ų157139 Ų13984%0.8474%0.739SS**  trans30.6102.9131.7-56.719.4000120.6
294S29Very low31.6Very low106 Ų106137.4 Ų137.474%0.74174%0.739SS**  trans-152.6140.4130.8-82.50000106.3
295L27.6Very low31.7Very low141 Ų141137.4 Ų137.474%0.73874%0.739SS**  cis72.5142.147.8-149.687.1000112.6
296W29.3Very low31.6Very low213 Ų213138 Ų13881%0.80773%0.734SS**  trans76.9147.3-177.5-59.1-34.8000116.7
297M27.7Very low31.7Very low151 Ų151133.9 Ų133.974%0.74473%0.726SS**  cis-163162.8-28.8-128.1165.773.400110.8
298S27.8Very low31.5Very low79 Ų79136.1 Ų136.155%0.55274%0.737SS**  trans50.4127.4150.8-51.90000121.5
299N32.7Very low32Very low137 Ų137134 Ų13473%0.73374%0.739SS**  179133.3100.2-88-31.6000112.8
300N30Very low32.1Very low139 Ų139133.4 Ų133.474%0.74374%0.741SS**  trans50140.2131.3-54.1-4.8000120.2
301C30.5Very low32.1Very low102 Ų102137 Ų13769%0.68975%0.748SS**  cis-167.7176.18.8-1260000113.7
302T36.3Very low32.6Very low107 Ų107139.2 Ų139.266%0.65675%0.754SS**  trans65.497.4148.7510000122
303D34.3Very low33.4Very low152 Ų152136.4 Ų136.481%0.81375%0.753SS**  89.9153.8108.1-62.2-4.4000123.2
304P40.4Very low33.6Very low106 Ų106138.7 Ų138.769%0.68876%0.756SS**  trans-123.4-179.7-151.844.5-31.4000115.1
305D37.7Very low33.9Very low139 Ų139140.4 Ų140.474%0.74376%0.756SS**  -177.9159.4112.9-114-17.8000117.4
306N32.9Very low34.2Very low119 Ų119139.3 Ų139.364%0.63676%0.756SS**  trans6189.1149.8-70.1-49.3000125.3
307T34.9Very low34.3Very low116 Ų116131.8 Ų131.871%0.71274%0.744SS**  59.7136.1100.2600000125.5
308V33.4Very low34.4Very low151 Ų151133.4 Ų133.492%0.91575%0.75SS**  trans84.9132.2141.2164.70000121.5
309G36.1Very low34.5Very low74 Ų74135.7 Ų135.776%0.76376%0.76SS**  trans157.289.1169.800000113
310F32.7Very low34.4Very low201 Ų201137.3 Ų137.388%0.88277%0.765SS**  trans-105.2152.2178.6-99.7-102.7000111.6
311E35.2Very low34.3Very low191 Ų191140.4 Ų140.489%0.89377%0.772SS**  -177.9-176.9120.5-97.9172.1-162.600112
312E36.9Very low34.1Very low176 Ų176143.9 Ų143.982%0.82278%0.778SS**  trans-107.3166.2-138.1-73.4-168.6122.700119.6
313P46.4Very low33.9Very low108 Ų108145.3 Ų145.370%0.70179%0.787SS**  trans-111.1177.4179.242.9-34.9000114.9
314F34.6Very low33.5Very low205 Ų205145.1 Ų145.190%0.89978%0.784SS**  trans-148.796.6167.4-105.4-77.8000116.3
315D35.3Very low32.9Very low141 Ų141149.2 Ų149.275%0.75479%0.791SS**  47.6154.8120.1-141.68.7000127.2
316V33.5Very low32.2Very low119 Ų119147.5 Ų147.572%0.72179%0.79SS**  trans54.8142.3163.3-1480000120.8
317G30.2Very low31.9Very low55 Ų55146.8 Ų146.857%0.56779%0.794SS**  cis140141-14.100000116.4
318H31.4Very low31.6Very low185 Ų185148.7 Ų148.786%0.85680%0.798SS**  trans64.7163.3167.8-63.472.1000116.8
319T29.2Very low31.2Very low126 Ų126146 Ų14677%0.77379%0.785SS**  cis-147.5175.18.5-24.80000112.2
320M29.7Very low30.8Very low172 Ų172149.5 Ų149.585%0.84779%0.787SS**  trans-59.2149.7175.9-54.8168177.200115.4
321K27.8Very low30.6Very low203 Ų203149.8 Ų149.888%0.88378%0.783SS**  -168.4173.5123-108.2169.1-175.9-179.80113.7
322E27.8Very low30.3Very low175 Ų175146 Ų14682%0.81878%0.775SS**  trans-73.8133.6-163-57.9169.1108.400115.4
323V30.9Very low29.7Very low137 Ų137141.3 Ų141.383%0.8376%0.762SS**  trans-137.995.9151-179.30000104.7
324I26.9Very low28.7Very low148 Ų148143.4 Ų143.476%0.75977%0.767SS**  78.8143.382.6-68.5168.4000112.9
325K27.3Very low28.3Very low192 Ų192141 Ų14184%0.83576%0.762SS**  trans-63.6-170.8-177.4-54.8169.7179.4170.60113.2
326S23.9Very low27.8Very low104 Ų104143.4 Ų143.473%0.72776%0.762SS**  trans86.2117.7-177.782.30000111.7
327S26.2Very low27.4Very low103 Ų103144 Ų14472%0.7276%0.761SS**  77.2114.790.1-57.20000109.8
328I28.1Very low27.4Very low156 Ų156146.4 Ų146.480%0.877%0.769SS**  -164.2129.588.6-95.1151.8000106.1
329C24.5Very low27.2Very low94 Ų94142.1 Ų142.164%0.63576%0.76SS**  62.3131.776.8-67.50000111.4
330N28.2Very low27.2Very low149 Ų149143.8 Ų143.880%0.79776%0.764SS**  cis-153.6-1797-80.7-38.7000110.9
331Y27.8Very low27.3Very low206 Ų206141 Ų14181%0.80876%0.761SS**  trans-52.8160145-88.6-107.1000111
332P28.7Very low27.6Very low112 Ų112138.1 Ų138.173%0.72776%0.755SS**  cis-133178.742.241.1-21.4000112.8
333S25Very low27.9Very low78 Ų78135.4 Ų135.455%0.54575%0.752SS.*  cis68.8111.340.5-43.80000115
334N25.4Very low27.9Very low151 Ų151134.3 Ų134.381%0.80775%0.746SS**  trans66.9159-177.4-45.1-37.6000112.2
335I27.1Very low28.3Very low154 Ų154130.5 Ų130.579%0.7974%0.736SS**  cis-140.5125.627.4-69.5165.4000107
336Y24.7Very low28.6Very low193 Ų193129.7 Ų129.776%0.75773%0.733SS**  66.3119.483.2-118.7-98.3000116.4
337N25.4Very low29Very low130 Ų130132.5 Ų132.570%0.69574%0.735SS**  trans44.1130157.2-63.5-2.4000122.3
338S28.7Very low29.3Very low106 Ų106131.6 Ų131.674%0.74173%0.728SS**  157.1111.9116.1-67.60000109
339S28.1Very low29.4Very low96 Ų96129 Ų12967%0.67172%0.724SS**  83.414757780000113.9
340L28.6Very low29.7Very low161 Ų161131.5 Ų131.584%0.84373%0.73SS**  trans72.4147-176.4-57.5123.3000115.3
341S32.1Very low29.6Very low113 Ų113129.7 Ų129.779%0.7973%0.729SS**  cis-149.5160.3-1.719.50000113.6
342L34.5Very low29.6Very low143 Ų143127 Ų12775%0.74973%0.727SS**  trans-79.6169.3179.3-134.875.5000112.3
343P34.4Very low29.6Very low118 Ų118127.1 Ų127.177%0.76673%0.731SS**  -129.9141.178.711.511.6000114.9
344T30.3Very low29.9Very low114 Ų114128.1 Ų128.170%0.69974%0.735SS**  67.7133.678.9-19.60000111.5
345A35Very low29.9Very low67 Ų67126.3 Ų126.355%0.55473%0.73SS**  cis-163.8172.836.200000116.5
346F33.9Very low29.9Very low175 Ų175126.8 Ų126.877%0.76873%0.729SS**  trans65.1112.3165.8-62-74.7000117.9
347Q32Very low30Very low163 Ų163122.4 Ų122.476%0.76272%0.718SS**  92.9141.757-82.9-164-9.500112.8
348S32.7Very low30.1Very low84 Ų84125 Ų12559%0.58772%0.72SS**  cis-170143.3-15.848.60000114.9
349S29.3Very low30.2Very low102 Ų102127.5 Ų127.571%0.71372%0.72SS**  trans73.6169.7136.374.60000121.9
350L31.5Very low30.2Very low147 Ų147127 Ų12777%0.7772%0.716SS**  trans79.176.9162.7-66.6164.4000118
351S26.1Very low30.2Very low111 Ų111127.1 Ų127.178%0.77672%0.717SS**  trans-53.3146.1138.747.30000112.4
352I28.9Very low30Very low149 Ų149129.1 Ų129.176%0.76471%0.714SS**  trans-163144.1149.2-101.3146.3000108.2
353S28.9Very low29.7Very low114 Ų114128.1 Ų128.180%0.79771%0.713SS**  trans-117.5130.4173.1-50.10000110.1
354P30.8Very low29.6Very low99 Ų99131 Ų13164%0.64372%0.716SS**  trans-127.1139.613835.4-24.5000109.4
355T24.9Very low29.9Very low113 Ų113135 Ų13569%0.69372%0.724SS**  cis6214448.5750000113.9
356H27.8Very low30Very low165 Ų165137.4 Ų137.476%0.76473%0.734SS**  trans64.5143.5-172.8-69.5-84.2000115
357N26.5Very low29.9Very low101 Ų101132.6 Ų132.654%0.5473%0.727SS.*  cis-170178.9-22.8-129.125000107.5
358Y28Very low29.7Very low184 Ų184131.3 Ų131.372%0.72272%0.723SS**  trans67.2147152.9-69.6-50000117.2
359E30Very low29.7Very low159 Ų159134.7 Ų134.774%0.74374%0.735SS**  cis-146.8168.5-19-161.6144.5-144.900111.1
360S27.4Very low29.5Very low84 Ų84137.9 Ų137.959%0.58774%0.736SS**  trans-48.2151.1173.9-51.40000115.4
361L29.3Very low29.5Very low165 Ų165136.8 Ų136.886%0.86474%0.736SS**  172.799.7119-86.2153000107
362Q27.4Very low29.6Very low155 Ų155136.9 Ų136.972%0.72473%0.727SS**  70.4132.772.7-74-141.314.400115.6
363V28.7Very low29.6Very low122 Ų122138 Ų13874%0.73973%0.729SS**  trans74.5139.5145.4166.80000114.2
364E32.7Very low29.6Very low178 Ų178136.4 Ų136.483%0.83272%0.722SS**  cis-120.5155.323.7-67.5-177.6134.600116.2
365K36.5Very low29.5Very low197 Ų197139.9 Ų139.986%0.85773%0.73SS**  trans-108.9148.5151.4-82.2-176.8176.4177.80108.6
366P37.7Very low29.8Very low119 Ų119139.8 Ų139.877%0.77373%0.729SS**  trans-89.6125.3133-16.833000108.7
367A31.3Very low29.8Very low74 Ų74137.5 Ų137.561%0.61273%0.727SS**  67.19667.900000110.6
368I28.3Very low30.1Very low135 Ų135138.5 Ų138.569%0.69274%0.737SS**  70.310770.2-61.1163.4000112F370I368-F370 HydrophobicContact CG2-CB 4.38Å; I368-F370 HydrophobicContact CG2-CD2 4.21Å
369N31.2Very low30.2Very low155 Ų155136.8 Ų136.883%0.82974%0.74SS**  trans-171.4107.1135.8-86.7-28.4000104.8
370F25.9Very low30.6Very low170 Ų170134.8 Ų134.875%0.74674%0.741SS**  cis65.7149.442.3-116.3-76.2000112.7I368I368-F370 HydrophobicContact CG2-CB 4.38Å; I368-F370 HydrophobicContact CG2-CD2 4.21Å
371V32.3Very low30.5Very low124 Ų124135.6 Ų135.675%0.75275%0.746SS**  trans76.4137.2-179.5-1710000114.5
372N27.9Very low30.5Very low113 Ų113135.2 Ų135.260%0.60474%0.741SS**  cis174.5154.7-41-108.3-9.4000107.9
373H28.6Very low30.7Very low173 Ų173133.4 Ų133.480%0.80174%0.735SS**  trans59.9159.6150.7-79.7-66.6000120.6
374A28.6Very low30.8Very low79 Ų79134.6 Ų134.665%0.65373%0.733SS**  trans73.2140.9146.800000117.6
375Q29Very low30.8Very low172 Ų172133.3 Ų133.380%0.80473%0.726SS**  cis-165.4178.6-6.1-121.6167.2-2.900109.5
376V30.3Very low30.7Very low111 Ų111129.4 Ų129.467%0.67372%0.715SS**  trans57.197.3143.2166.50000115.9
377T27.7Very low30.5Very low117 Ų117130.4 Ų130.472%0.71871%0.711SS**  52.9135.99669.30000114.7
378T34Very low30.6Very low123 Ų123133.2 Ų133.276%0.75571%0.711SS**  cis-157.7166.240.547.10000112.5
379N30.5Very low30.9Very low148 Ų148133.7 Ų133.779%0.79171%0.71SS**  trans-64151.2157.4-61.3-30000110.1
380P37.4Very low30.8Very low117 Ų117130.4 Ų130.476%0.7670%0.7SS**  -133.1158.17539.7-26.8000112.8
381C26.4Very low31.2Very low101 Ų101128 Ų12868%0.68270%0.699SS**  cis82.7121.829.3-155.50000114.5
382M29.1Very low31.1Very low157 Ų157127.1 Ų127.177%0.77370%0.698SS**  trans72.1153.1167.6-49.1-114.493.300114.3
383I30.9Very low31.3Very low117 Ų117125.4 Ų125.460%0.670%0.7SS**  cis-161.8172.6-2.9-131173.4000112.4
384Q31.7Very low31.4Very low146 Ų146123.7 Ų123.768%0.68270%0.697SS**  trans70.7118.5156.5-93.5150.2-2.500122.6
385H32.7Very low31.6Very low151 Ų151130.1 Ų130.170%0.69971%0.706SS**  69.5154.3125-74.1-139.4000119.4
386D33.3Very low31.8Very low115 Ų115126.1 Ų126.162%0.61570%0.697SS**  cis-147173.12.4-130.8-30.3000114.8
387M33Very low32.1Very low141 Ų141125.4 Ų125.470%0.69570%0.697SS**  trans-6.8153.8144.2-73.7-176176.300118.9
388Q33.6Very low32.6Very low132 Ų132124.9 Ų124.962%0.61770%0.698SS**  cis-172.1-175.515.7-126164.1400112.5
389H35.2Very low32.7Very low145 Ų145124.6 Ų124.667%0.67170%0.699SS**  trans42.4109.5148-65.8-52.1000120.1
390S29.8Very low33Very low87 Ų87122.9 Ų122.961%0.60870%0.699SS**  97.5165.756.371.50000114.7
391T33.1Very low33.1Very low118 Ų118122.1 Ų122.172%0.72470%0.697SS**  trans62.891155.440.90000120
392S30Very low33.7Very low106 Ų106122.1 Ų122.174%0.74170%0.698SS**  61143.6115.666.80000123.6
393A33.7Very low34.2Very low78 Ų78119.9 Ų119.965%0.64570%0.698SS**  trans87.5110.6142.600000120.6
394N29.3Very low34.6Very low136 Ų136119 Ų11973%0.72770%0.702SS**  trans67.5158130-57.5-10.5000121.2
395Y32.8Very low35Very low214 Ų214117.3 Ų117.384%0.83971%0.706SS**  trans67.3148.1171.7-59.4-87.4000117.2
396S32.9Very low35.3Very low88 Ų88115.3 Ų115.362%0.61571%0.709SS**  cis-167.4161.7-34.150.80000110
397S37.8Very low35.5Very low96 Ų96114.2 Ų114.267%0.67171%0.71SS**  trans50123.2143.261.20000120.7
398S38.2Very low35.7Very low106 Ų106115.4 Ų115.474%0.74171%0.714SS**  168.2156.598.5-740000114.3
399C34.9Very low36Very low117 Ų117115.4 Ų115.479%0.79171%0.714SS**  trans65.9117.4160.8-64.30000117.9
400S37.6Very low36.1Very low112 Ų112114.3 Ų114.378%0.78371%0.709SS**  91.612754.2-75.60000112
401S39.3Very low36.4Very low101 Ų101117.3 Ų117.371%0.70671%0.711SS**  cis-151.6-158.3-3.6-68.40000107.7
402S39.5Very low36.5Very low101 Ų101118.9 Ų118.971%0.70671%0.711SS**  cis-168160.96.100000110.4
403S39.3Very low36.7Very low111 Ų111121.4 Ų121.478%0.77671%0.711SS**  trans58.1137.6155.350.20000120.4
404S39Very low36.6Very low99 Ų99125.7 Ų125.769%0.69272%0.717SS**  cis-172150-5.143.40000112.2
405S39.3Very low36.7Very low110 Ų110124.7 Ų124.777%0.76972%0.718SS**  trans59.6148.1155.549.20000119.1
406S39.1Very low36.6Very low108 Ų108121.5 Ų121.576%0.75572%0.716SS**  cis-177.3152.7-7.644.90000109
407S38.5Very low36.3Very low92 Ų92128 Ų12864%0.64373%0.728SS**  cis-175.2130.9-15.248.20000111
408E36.5Very low35.7Very low166 Ų166129.3 Ų129.378%0.77674%0.736SS**  trans69.6159148.7-62.5-16997.300119.5
409H39.7Very low35.6Very low133 Ų133134 Ų13462%0.61674%0.739SS**  cis-153.5148.819.2-140.545000111.4
410Q36.8Very low35.8Very low121 Ų121133.8 Ų133.857%0.56574%0.736SS**  trans38.2145.1140.8-59.3-172.951.500122
411K36.1Very low35.4Very low150 Ų150136.1 Ų136.165%0.65274%0.735SS**  cis-168143.110.4-127.2171.7-176.6148.40112.9
412Q35.2Very low34.9Very low152 Ų152135.5 Ų135.571%0.7173%0.727SS**  trans55.1137.2136.2-80.4173.2-19.600124.9
413Q36Very low34.5Very low159 Ų159138.3 Ų138.374%0.74373%0.734SS**  trans101.3107.6143.3-77.9176.762.100122.7
414Q31.5Very low33.9Very low167 Ų167139.2 Ų139.278%0.7873%0.729SS**  trans75.5144.6143.8-61.4-166.79.500120.7
415P29.7Very low33.3Very low116 Ų116138.8 Ų138.875%0.75373%0.731SS**  trans-95126.3-174.335.8-31.1000112.3
416N30.9Very low32.7Very low146 Ų146138.1 Ų138.178%0.78173%0.726SS**  trans-150.8161.9167-99.4-51.2000112.1C418N416-C418 PolarHBondContact O-N 3.15Å
417Y26.5Very low32.2Very low224 Ų224143.5 Ų143.588%0.87873%0.732SS**  trans-66126.3-179-73.3-104.5000111.6
418C27.1Very low32Very low125 Ų125146.1 Ų146.185%0.84574%0.738SS**  trans-110.889.7168.9-70.90000111.2N416N416-C418 PolarHBondContact O-N 3.15Å
419Y34.5Very low31.7Very low204 Ų204143.6 Ų143.680%0.874%0.736SS**  trans-74.7131.4141.8-100-89.5000107.9
420P40.3Very low31.1Very low112 Ų112141.4 Ų141.473%0.72774%0.735SS**  trans-83.8121.6139.729.5-22000107.2
421Q29Very low30.6Very low161 Ų161143.7 Ų143.775%0.75275%0.746SS**  cis55.6130.741.8-61.5-163.4-81.200113.5
422T27.5Very low30.2Very low88 Ų88142.7 Ų142.754%0.5475%0.747SS.*  cis179.1130.5-28.6180000105.1I424T422-I424 HydrophobicContact CG2-CD1 4.19Å; T422-I424 HydrophobicContact CG2-CG1 4.23Å
423D31.8Very low29.8Very low160 Ų160142.6 Ų142.686%0.85675%0.751SS**  trans-148.2108.8146-83.1-48.3000104.7
424I26.5Very low29.3Very low130 Ų130139.4 Ų139.467%0.66775%0.746SS**  cis67.9132.847.9-52175.8000111T422T422-I424 HydrophobicContact CG2-CD1 4.19Å; T422-I424 HydrophobicContact CG2-CG1 4.23Å
425A27.7Very low29.3Very low90 Ų90139.5 Ų139.574%0.74475%0.75SS**  trans68.4148.8-178.600000115
426S26.7Very low29Very low96 Ų96141.1 Ų141.167%0.67175%0.748SS**  cis-170.3149.5-20.246.60000110.7
427Y27.3Very low28.8Very low222 Ų222140.5 Ų140.587%0.87175%0.754SS**  trans67.8130.7144.5-87.7-123.8000120.7
428L34.8Very low28.8Very low146 Ų146134.2 Ų134.276%0.76474%0.742SS**  trans-51.5142.8146.7-73.5153.2000110.1
429P30.5Very low29Very low114 Ų114135.6 Ų135.674%0.7474%0.736SS**  -130.6160.274.138.3-24.8000112.1
430S27.7Very low28.6Very low86 Ų86132.9 Ų132.960%0.60173%0.728SS**  cis67.9134.847.5-460000114
431Q26.1Very low28.2Very low170 Ų170136.3 Ų136.379%0.79473%0.728SS**  trans76.1119.1158.7-65.8-177-9.800121.6
432I26.8Very low28.1Very low129 Ų129135.2 Ų135.266%0.66272%0.723SS**  60.8105.8121.8-54.6165000118.3
433N26.5Very low28.3Very low150 Ų150137.5 Ų137.580%0.80273%0.727SS**  -179.4122.6119.1-87.6-43.7000106.6
434S26.9Very low28.4Very low92 Ų92135.9 Ų135.964%0.64372%0.718SS**  cis63.89042.8-160.50000113.3
435I30.5Very low28.4Very low168 Ų168137.4 Ų137.486%0.86273%0.727SS**  trans-134.5127.6151.1-83.2167.2000106.1
436E24.2Very low28.6Very low150 Ų150137.1 Ų137.170%0.70173%0.725SS**  trans-81.9160.3177.1-57.1130.1100.700111.6
437C26.4Very low29Very low134 Ų134139.3 Ų139.391%0.90573%0.729SS**  trans-163.282.5131-115.90000112.4
438S26Very low29Very low92 Ų92135.4 Ų135.464%0.64372%0.722SS**  trans-14141.8150-52.80000118.2
439H30.9Very low28.8Very low154 Ų154134.5 Ų134.571%0.71372%0.723SS**  -175.8128.6107.9-109.5-123.1000114.5
440K27.7Very low28.9Very low147 Ų147133.9 Ų133.964%0.63972%0.721SS**  trans26.3134.6146-43.5179.4-177.2-179.30119.3
441Y30.1Very low29.2Very low184 Ų184135.3 Ų135.372%0.72273%0.728SS**  cis-146.914140.2-91.9-99.8000110.5
442Q28.2Very low29.4Very low137 Ų137135.7 Ų135.764%0.6473%0.73SS**  55.9116.776.6-103.8175.2-27.700112.7
443H32.1Very low29.5Very low137 Ų137135.9 Ų135.963%0.63473%0.727SS**  cis-157.3159.343.8-107.9-82.8000115.4
444N32.1Very low29.8Very low125 Ų125136.2 Ų136.267%0.66872%0.724SS**  trans58.1117.1155-55.4-7.9000119.1
445L28.2Very low30.1Very low162 Ų162139.2 Ų139.285%0.84873%0.728SS**  cis89143.148-85.583000114.9
446A31.5Very low30.3Very low85 Ų85138 Ų13870%0.70272%0.719SS**  trans69.6131.5178.900000116.7
447D34.2Very low30.8Very low141 Ų141136 Ų13675%0.75471%0.71SS**  cis-145118.5-8.6-93.4-37000114
448I28.2Very low31.2Very low140 Ų140137.1 Ų137.172%0.71870%0.701SS**  35.5116.3118.7-55.5-177.3000119.4
449T30.3Very low31.5Very low127 Ų127142.1 Ų142.178%0.77971%0.706SS**  trans71.5117.7154.255.20000123.2
450S33.1Very low31.5Very low101 Ų101141 Ų14171%0.70670%0.701SS**  42.2135.3112.7-120.80000120
451P33Very low31.7Very low117 Ų117142.6 Ų142.676%0.7671%0.708SS**  -135.3140.266.537.6-24.4000117.2H453P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 HydrophobicContact CB-CB 4.49Å; P451-H453 PolarHBondContact O-N 2.67Å
452H29.9Very low31.8Very low178 Ų178143.3 Ų143.382%0.82472%0.715SS**  trans-69.471.8171.5-179.5-73000111.8
453H30.6Very low31.8Very low132 Ų132142.4 Ų142.461%0.61171%0.714SS**  trans-146.68.9-167.9-124.856.4000120.6P451P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 HydrophobicContact CB-CB 4.49Å; P451-H453 PolarHBondContact O-N 2.67Å
454Q32.5Very low31.6Very low157 Ų157145.9 Ų145.973%0.73473%0.727SS**SBendtrans-115.9-22.2177-74.3-173.4-12.300116.1Q456 Q457Q454-Q456 PolarHBondContact O-N 3.42Å; Q454-Q457 WeakPolarHBondContact O-CB 3.38Å; Q454-Q457 PolarHBondContact O-N 3.41Å
455E33.7Very low31.6Very low155 Ų155145.4 Ų145.472%0.72472%0.724SS**THydrogen-bonded Turntrans-74.6-10.1-178.3-140.8-163.8123.100114.7R459E455-R459 IonicContact OE1-NH2 3.36Å
456Q33.5Very low31.8Very low144 Ų144146.5 Ų146.567%0.67372%0.724SS**THydrogen-bonded Turntrans-77.8-27.1165.3-78.6-175.1-23.900112.7Q454 R459Q454-Q456 PolarHBondContact O-N 3.42Å; Q456-R459 PolarHBondContact O-N 2.75Å
457Q35.2Very low31.8Very low108 Ų108149.7 Ų149.751%0.50573%0.728SS.*G310 helixtrans-75-31.1-172.2-61.9-170.4-2.500112.9Q454 R459 Q460Q454-Q457 WeakPolarHBondContact O-CB 3.38Å; Q454-Q457 PolarHBondContact O-N 3.41Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 3.39Å; Q457-Q460 PolarHBondContact O-N 3.33Å
458H34.1Very low31.9Very low157 Ų157147.2 Ų147.273%0.72772%0.72SS**G310 helixtrans-79.2-11.5175.6-14382.1000113.9
459R32.3Very low32.3Very low197 Ų197145.6 Ų145.674%0.74372%0.717SS**G310 helixtrans-84.8-7.2167.6-111.5177.1-79.6-144.5-3.9113.6E455 Q456 Q457E455-R459 IonicContact OE1-NH2 3.36Å; Q456-R459 PolarHBondContact O-N 2.75Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 3.39Å
460Q31.6Very low32.5Very low131 Ų131144.3 Ų144.361%0.61271%0.71SS**THydrogen-bonded Turntrans-97.7-20.6176.5-70.4179.2-17.300114Q457 K462 L463Q457-Q460 PolarHBondContact O-N 3.33Å; Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.15Å; Q460-L463 PolarHBondContact O-N 3.48Å
461K31.6Very low33.1Very low179 Ų179143.5 Ų143.578%0.77870%0.701SS**THydrogen-bonded Turntrans-78.512.4-179.4-74.6-169.7174.4-177.80116
462K33Very low33.7Very low200 Ų200146.1 Ų146.187%0.8770%0.704SS**THydrogen-bonded Turntrans-111.226.3169.4-147.4168-172.3171.10113.2Q460Q460-K462 PolarHBondContact O-N 3.49Å; Q460-K462 VanDerWaalsContact O-N 3.15Å
463L27.7Very low34.4Very low117 Ų117141.4 Ų141.461%0.61369%0.687SS**  trans-110.725.9179.3-87.7166.9000114.6Q460 I465Q460-L463 PolarHBondContact O-N 3.48Å; L463-I465 HydrophobicContact CD2-CD1 3.88Å; L463-I465 HydrophobicContact CD2-CG1 4.21Å; L463-I465 PolarHBondContact O-N 3.33Å
464F28.2Very low35.3Very low210 Ų210138.4 Ų138.492%0.92168%0.678SS**  trans-75.872.9156.5-97.4-83.7000110H466F464-H466 PolarHBondContact O-N 3.38Å
465I31.1Very low35.9Very low116 Ų116139.7 Ų139.760%0.59568%0.681SS**  trans-64.8121.9163.2-65.1173.9000106.5L463 L467L463-I465 HydrophobicContact CD2-CD1 3.88Å; L463-I465 HydrophobicContact CD2-CG1 4.21Å; L463-I465 PolarHBondContact O-N 3.33Å; I465-L467 PolarHBondContact O-N 2.82Å
466H31.8Very low36.2Very low185 Ų185143.5 Ų143.586%0.85669%0.689SS**  trans-52.4115.5168.1-115.3-80.3000108.5F464 P468F464-H466 PolarHBondContact O-N 3.38Å; H466-P468 WeakPolarHBondContact O-CD 3.35Å
467L33.3Very low36.9Very low151 Ų151139.5 Ų139.579%0.79167%0.671SS**PPolyproline II helixtrans-56.5124.5177.3-9469000108.5I465 T469I465-L467 PolarHBondContact O-N 2.82Å; L467-T469 PolarHBondContact O-N 2.91Å
468P36.6Very low38.2Very low90 Ų90137.8 Ų137.858%0.58467%0.67SS**PPolyproline II helixtrans-65126.1175.326.9-32.9000108.4H466 T473H466-P468 WeakPolarHBondContact O-CD 3.35Å; P468-T473 HydrophobicContact CG-CG2 4.48Å
469T36.3Very low39.6Very low106 Ų106139.2 Ų139.265%0.6567%0.674SS**PPolyproline II helixtrans-53.4138.4175.848.60000110L467 T471L467-T469 PolarHBondContact O-N 2.91Å; T469-T471 VanDerWaalsContact C-N 3.28Å; T469-T471 PolarHBondContact O-N 3.16Å; T469-T471 PolarHBondContact O-OG1 2.72Å
470P34.1Very low41Very low99 Ų99135.6 Ų135.664%0.64367%0.665SS**THydrogen-bonded Turntrans-74.276.9-170.229-35.8000112.6
471T44.4Very low42.4Very low84 Ų84132.9 Ų132.952%0.51565%0.654SS.*THydrogen-bonded Turntrans-139.1-23.6179.3350000114.5T469T469-T471 VanDerWaalsContact C-N 3.28Å; T469-T471 PolarHBondContact O-N 3.16Å; T469-T471 PolarHBondContact O-OG1 2.72Å
472E46.1Very low43.6Very low173 Ų173128.1 Ų128.181%0.80864%0.636SS**SBendtrans-120.5-24.5-173.4-59-159.3132.500115.4V474E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.24Å
473T45.8Very low45.1Very low78 Ų78122.1 Ų122.148%0.47962%0.616SS.*G310 helixtrans-72.7-17.2-177.732.50000114.9P468 K475P468-T473 HydrophobicContact CG-CG2 4.48Å; T473-K475 PolarHBondContact O-N 3.39Å
474V47.9Very low47Very low70 Ų70119.9 Ų119.942%0.42460%0.604SS.*G310 helixtrans-60.1-20.6-175.3-175.40000113.2E472 W476 M482E472-V474 VanDerWaalsContact C-N 3.32Å; E472-V474 PolarHBondContact O-N 3.24Å; V474-W476 VanDerWaalsContact C-N 3.25Å; V474-W476 PolarHBondContact O-N 2.81Å; V474-M482 HydrophobicContact CG1-CE 3.61Å; V474-M482 HydrophobicContact CG1-SD 4.23Å
475K46.5Very low48.5Very low183 Ų183113.6 Ų113.680%0.79658%0.58SS**G310 helixtrans-72-8.4-171.4-152.5165.7-169.6164.90115.8T473T473-K475 PolarHBondContact O-N 3.39Å
476W39.7Very low50.1Low236 Ų236112.2 Ų112.289%0.89458%0.577SS**G310 helixtrans-133.55-176.7-62.498.8000114.4V474V474-W476 VanDerWaalsContact C-N 3.25Å; V474-W476 PolarHBondContact O-N 2.81Å
477M47.9Very low52.1Low59 Ų59109 Ų10929%0.29156%0.562SS.*  trans-78.7129.3-179.2-68-178.469.700111.6L481 N485M477-L481 HydrophobicContact CE-CB 3.7Å; M477-L481 WeakPolarHBondContact CE-O 3.26Å; M477-N485 HydrophobicContact CE-CB 4.32Å
478P63Low53.9Low73 Ų73107.2 Ų107.247%0.47455%0.55SS..  trans-54.9143.5165.1-2634.4000112H480 L481 M482P478-H480 VanDerWaalsContact C-N 3.26Å; P478-H480 PolarHBondContact O-N 2.97Å; P478-L481 PolarHBondContact O-N 2.84Å; P478-M482 PolarHBondContact O-N 2.98Å
479K63.1Low55.7Low187 Ų187107.8 Ų107.881%0.81355%0.545SS*.Hα-helixtrans-49.3-40.8-173.8-72.6-172.7175.5-175.50114.1L481 M482 T483K479-L481 PolarHBondContact O-N 2.81Å; K479-M482 VanDerWaalsContact O-CB 3.31Å; K479-M482 WeakPolarHBondContact O-CB 3.15Å; K479-M482 PolarHBondContact O-N 2.77Å; K479-M482 VanDerWaalsContact O-N 3.15Å; K479-T483 PolarHBondContact O-N 2.98Å; K479-T483 VanDerWaalsContact O-N 3.08Å; K479-T483 PolarHBondContact O-OG1 3.35Å
480H62.4Low57.6Low120 Ų120108.5 Ų108.556%0.55654%0.54SS*.Hα-helixtrans-65.3-38.6-178.581.5-94.3000113.2P478 M482 T483 I484P478-H480 VanDerWaalsContact C-N 3.26Å; P478-H480 PolarHBondContact O-N 2.97Å; H480-M482 VanDerWaalsContact C-N 3.28Å; H480-M482 PolarHBondContact O-N 3.32Å; H480-T483 PolarHBondContact O-N 2.96Å; H480-I484 WeakPolarHBondContact O-CG1 3.48Å; H480-I484 PolarHBondContact O-N 3.23Å
481L60.8Low59.6Low74 Ų74109.4 Ų109.439%0.38754%0.536SS..Hα-helixtrans-69.4-28.8174.7-69.9176.8000111.7M477 P478 K479 I484 N485M477-L481 HydrophobicContact CE-CB 3.7Å; M477-L481 WeakPolarHBondContact CE-O 3.26Å; P478-L481 PolarHBondContact O-N 2.84Å; K479-L481 PolarHBondContact O-N 2.81Å; L481-I484 HydrophobicContact CD2-CD1 4.37Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.27Å; L481-N485 PolarHBondContact O-N 2.82Å
482M55.6Low61.2Low80 Ų80111 Ų11139%0.39454%0.538SS..Hα-helixtrans-65.6-43.7172.8-161.9167.3175.800110.7V474 P478 K479 H480 N485 T486V474-M482 HydrophobicContact CG1-CE 3.61Å; V474-M482 HydrophobicContact CG1-SD 4.23Å; P478-M482 PolarHBondContact O-N 2.98Å; K479-M482 VanDerWaalsContact O-CB 3.31Å; K479-M482 WeakPolarHBondContact O-CB 3.15Å; K479-M482 PolarHBondContact O-N 2.77Å; K479-M482 VanDerWaalsContact O-N 3.15Å; H480-M482 VanDerWaalsContact C-N 3.28Å; H480-M482 PolarHBondContact O-N 3.32Å; M482-N485 PolarHBondContact O-N 3.31Å; M482-T486 PolarHBondContact O-N 2.89Å; M482-T486 PolarHBondContact O-OG1 3.12Å; M482-T486 VanDerWaalsContact O-OG1 3.11Å
483T65.7Low62.6Low74 Ų74106.9 Ų106.945%0.45452%0.518SS..Hα-helixtrans-61.7-47.4174.1-500000112.5K479 H480 N485 T486 Q487K479-T483 PolarHBondContact O-N 2.98Å; K479-T483 VanDerWaalsContact O-N 3.08Å; K479-T483 PolarHBondContact O-OG1 3.35Å; H480-T483 PolarHBondContact O-N 2.96Å; T483-N485 VanDerWaalsContact C-N 3.34Å; T483-N485 PolarHBondContact O-N 3.36Å; T483-T486 WeakPolarHBondContact CA-OG1 3.49Å; T483-T486 PolarHBondContact O-N 3.15Å; T483-T486 PolarHBondContact O-OG1 3.43Å; T483-Q487 WeakPolarHBondContact O-CG 3.47Å; T483-Q487 PolarHBondContact O-N 3.3Å
484I66.8Low64.1Low69 Ų69110.5 Ų110.535%0.35452%0.523SS..Hα-helixtrans-60.6-44.2178.9-68.5164.8000110.7H480 L481 T486 Q487 Q488H480-I484 WeakPolarHBondContact O-CG1 3.48Å; H480-I484 PolarHBondContact O-N 3.23Å; L481-I484 HydrophobicContact CD2-CD1 4.37Å; I484-T486 PolarHBondContact O-N 3.16Å; I484-Q487 PolarHBondContact O-N 3.34Å; I484-Q488 WeakPolarHBondContact O-CG 3.43Å; I484-Q488 PolarHBondContact O-N 3.14Å
485N58.7Low65.5Low78 Ų78113 Ų11342%0.41753%0.53SS..Hα-helixtrans-66.6-37.4179.9-159.2-2.2000111.7M477 L481 M482 T483 H489M477-N485 HydrophobicContact CE-CB 4.32Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.27Å; L481-N485 PolarHBondContact O-N 2.82Å; M482-N485 PolarHBondContact O-N 3.31Å; T483-N485 VanDerWaalsContact C-N 3.34Å; T483-N485 PolarHBondContact O-N 3.36Å; N485-H489 WeakPolarHBondContact O-CB 3.43Å; N485-H489 PolarHBondContact O-N 2.94Å
486T66.6Low66.9Low87 Ų87109.3 Ų109.353%0.53452%0.516SS..Hα-helixtrans-66.8-37.2170.646.10000113.3M482 T483 I484 H489 H490M482-T486 PolarHBondContact O-N 2.89Å; M482-T486 PolarHBondContact O-OG1 3.12Å; M482-T486 VanDerWaalsContact O-OG1 3.11Å; T483-T486 WeakPolarHBondContact CA-OG1 3.49Å; T483-T486 PolarHBondContact O-N 3.15Å; T483-T486 PolarHBondContact O-OG1 3.43Å; I484-T486 PolarHBondContact O-N 3.16Å; T486-H489 PolarHBondContact O-N 2.84Å; T486-H490 WeakPolarHBondContact O-CB 3.2Å; T486-H490 PolarHBondContact O-N 2.93Å
487Q72.1Confident68.5Low118 Ų118103.9 Ų103.955%0.55150%0.5SS*.Hα-helixtrans-64.9-44.1175.6-76.3175.8-23.200111.6T483 I484 H490 Q491T483-Q487 WeakPolarHBondContact O-CG 3.47Å; T483-Q487 PolarHBondContact O-N 3.3Å; I484-Q487 PolarHBondContact O-N 3.34Å; Q487-H490 PolarHBondContact O-N 2.85Å; Q487-Q491 PolarHBondContact O-N 2.82Å
488Q72.5Confident69.7Low113 Ų113106.4 Ų106.453%0.52851%0.514SS..Hα-helixtrans-61.7-42.7174.4-73.2177-23.500111.7I484 H490 Q491 H492I484-Q488 WeakPolarHBondContact O-CG 3.43Å; I484-Q488 PolarHBondContact O-N 3.14Å; Q488-H490 VanDerWaalsContact C-N 3.34Å; Q488-H490 PolarHBondContact O-N 2.78Å; Q488-Q491 PolarHBondContact O-N 3.03Å; Q488-H492 PolarHBondContact O-N 3.47Å
489H73.5Confident70.1Confident103 Ų103106.5 Ų106.548%0.47751%0.514SS..Hα-helixtrans-60.7-41174.1-165-74.8000112.2N485 T486 H492 Q493N485-H489 WeakPolarHBondContact O-CB 3.43Å; N485-H489 PolarHBondContact O-N 2.94Å; T486-H489 PolarHBondContact O-N 2.84Å; H489-H492 PolarHBondContact O-N 3.44Å; H489-Q493 PolarHBondContact CE1-OE1 2.89Å; H489-Q493 VanDerWaalsContact ND1-CD 3.29Å; H489-Q493 PolarHBondContact ND1-OE1 3.3Å; H489-Q493 WeakPolarHBondContact O-CB 3.47Å; H489-Q493 WeakPolarHBondContact O-CG 3.23Å; H489-Q493 PolarHBondContact O-N 3.29Å
490H76.6Confident70.2Confident120 Ų120101.8 Ų101.856%0.55650%0.497SS*.Hα-helixtrans-74-20.9176.3-112.830.3000114.5T486 Q487 Q488 R494T486-H490 WeakPolarHBondContact O-CB 3.2Å; T486-H490 PolarHBondContact O-N 2.93Å; Q487-H490 PolarHBondContact O-N 2.85Å; Q488-H490 VanDerWaalsContact C-N 3.34Å; Q488-H490 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-NE 3.12Å
491Q76.9Confident70.5Confident118 Ų118101.3 Ų101.355%0.55150%0.499SS*.Hα-helixtrans-76.6-46.6168-76.7178.7-39.900110.6Q487 Q488 R494 Q495Q487-Q491 PolarHBondContact O-N 2.82Å; Q488-Q491 PolarHBondContact O-N 3.03Å; Q491-R494 PolarHBondContact O-N 2.83Å; Q491-R494 VanDerWaalsContact O-N 3.16Å; Q491-Q495 PolarHBondContact O-N 3.26Å
492H76.5Confident70.6Confident119 Ų119102.7 Ų102.755%0.55151%0.506SS*.Hα-helixtrans-65-42-179.8-162.252.8000112.1Q488 H489 R494 Q495 Q496Q488-H492 PolarHBondContact O-N 3.47Å; H489-H492 PolarHBondContact O-N 3.44Å; H492-R494 VanDerWaalsContact C-N 3.3Å; H492-R494 PolarHBondContact O-N 3.28Å; H492-Q495 PolarHBondContact O-N 3.02Å; H492-Q496 WeakPolarHBondContact O-CB 3.43Å; H492-Q496 PolarHBondContact O-N 3.37Å
493Q77Confident70.9Confident86 Ų86104 Ų10440%0.40251%0.514SS..Hα-helixtrans-61.3-35.4172.6-74.7-178.2-66.700113.1H489 Q496 Q497H489-Q493 PolarHBondContact CE1-OE1 2.89Å; H489-Q493 VanDerWaalsContact ND1-CD 3.29Å; H489-Q493 PolarHBondContact ND1-OE1 3.3Å; H489-Q493 WeakPolarHBondContact O-CB 3.47Å; H489-Q493 WeakPolarHBondContact O-CG 3.23Å; H489-Q493 PolarHBondContact O-N 3.29Å; Q493-Q496 PolarHBondContact O-N 3.32Å; Q493-Q497 WeakPolarHBondContact O-CB 3.45Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.05Å
494R76.8Confident70.4Confident153 Ų153102.7 Ų102.758%0.57751%0.511SS*.Hα-helixtrans-72.3-37.8174.7-86.2-172.1-74178.3-5.4112.7H490 Q491 H492 Q496 L498H490-R494 PolarHBondContact O-N 2.78Å; H490-R494 PolarHBondContact O-NE 3.12Å; Q491-R494 PolarHBondContact O-N 2.83Å; Q491-R494 VanDerWaalsContact O-N 3.16Å; H492-R494 VanDerWaalsContact C-N 3.3Å; H492-R494 PolarHBondContact O-N 3.28Å; R494-Q496 VanDerWaalsContact C-N 3.32Å; R494-L498 WeakPolarHBondContact O-CB 3.25Å; R494-L498 WeakPolarHBondContact O-CD1 3.44Å; R494-L498 VanDerWaalsContact O-CG 3.23Å; R494-L498 WeakPolarHBondContact O-CG 3.22Å; R494-L498 PolarHBondContact O-N 3.22Å
495Q77.5Confident69.6Low122 Ų122102.9 Ų102.957%0.5752%0.518SS*.Hα-helixtrans-61.1-43.3171.1-74.5177.7-27.800111.2Q491 H492 L498 T499Q491-Q495 PolarHBondContact O-N 3.26Å; H492-Q495 PolarHBondContact O-N 3.02Å; Q495-L498 WeakPolarHBondContact O-CB 3.45Å; Q495-L498 PolarHBondContact O-N 3.31Å; Q495-T499 PolarHBondContact O-N 3.36Å; Q495-T499 PolarHBondContact O-OG1 3.1Å
496Q75.5Confident69.1Low107 Ų107105.5 Ų105.550%0.553%0.528SS..Hα-helixtrans-66.1-43.4179.2-160159.528.100111.9H492 Q493 R494 L498 T499 D500H492-Q496 WeakPolarHBondContact O-CB 3.43Å; H492-Q496 PolarHBondContact O-N 3.37Å; Q493-Q496 PolarHBondContact O-N 3.32Å; R494-Q496 VanDerWaalsContact C-N 3.32Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; Q496-T499 WeakPolarHBondContact CA-OG1 3.09Å; Q496-T499 PolarHBondContact O-N 3.13Å; Q496-T499 PolarHBondContact O-OG1 3.42Å; Q496-D500 WeakPolarHBondContact O-CB 3.47Å; Q496-D500 PolarHBondContact O-N 3.1Å
497Q72.6Confident67.9Low122 Ų122105.1 Ų105.157%0.5753%0.529SS*.Hα-helixtrans-62.6-33.5171.3-75.9178.7-23.500113.2Q493 N501Q493-Q497 WeakPolarHBondContact O-CB 3.45Å; Q493-Q497 WeakPolarHBondContact O-CG 3.39Å; Q493-Q497 PolarHBondContact O-N 3.05Å; Q497-N501 VanDerWaalsContact O-CB 3.26Å; Q497-N501 WeakPolarHBondContact O-CB 3.23Å; Q497-N501 PolarHBondContact O-N 3.25Å; Q497-N501 PolarHBondContact O-ND2 3.16Å
498L74.2Confident66.3Low111 Ų111107.5 Ų107.558%0.58154%0.54SS*.Hα-helixtrans-69.8-40.3174.9-74.8165.7000111.8R494 Q495 Q496 L502R494-L498 WeakPolarHBondContact O-CB 3.25Å; R494-L498 WeakPolarHBondContact O-CD1 3.44Å; R494-L498 VanDerWaalsContact O-CG 3.23Å; R494-L498 WeakPolarHBondContact O-CG 3.22Å; R494-L498 PolarHBondContact O-N 3.22Å; Q495-L498 WeakPolarHBondContact O-CB 3.45Å; Q495-L498 PolarHBondContact O-N 3.31Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.4Å
499T70Confident64.8Low75 Ų75106.9 Ų106.946%0.4655%0.548SS..Hα-helixtrans-67.5-40.6173.750.10000112.2Q495 Q496 N501 L502 L503Q495-T499 PolarHBondContact O-N 3.36Å; Q495-T499 PolarHBondContact O-OG1 3.1Å; Q496-T499 WeakPolarHBondContact CA-OG1 3.09Å; Q496-T499 PolarHBondContact O-N 3.13Å; Q496-T499 PolarHBondContact O-OG1 3.42Å; T499-N501 VanDerWaalsContact C-N 3.35Å; T499-N501 PolarHBondContact O-N 3.1Å; T499-L502 PolarHBondContact O-N 3.07Å; T499-L503 WeakPolarHBondContact O-CB 3.34Å; T499-L503 WeakPolarHBondContact O-CG 3.42Å; T499-L503 PolarHBondContact O-N 3.29Å
500D66.9Low63.1Low89 Ų89107.1 Ų107.148%0.47656%0.556SS.*Hα-helixtrans-65.4-39178-63.9-12.6000111Q496 A504Q496-D500 WeakPolarHBondContact O-CB 3.47Å; Q496-D500 PolarHBondContact O-N 3.1Å; D500-A504 VanDerWaalsContact O-CB 3.27Å; D500-A504 WeakPolarHBondContact O-CB 3.47Å; D500-A504 PolarHBondContact O-N 3.41Å
501N67.7Low61.1Low110 Ų110108.2 Ų108.259%0.58857%0.565SS**Hα-helixtrans-70.1-35.6174.5-74.6-28.7000113Q497 T499 A504 S505Q497-N501 VanDerWaalsContact O-CB 3.26Å; Q497-N501 WeakPolarHBondContact O-CB 3.23Å; Q497-N501 PolarHBondContact O-N 3.25Å; Q497-N501 PolarHBondContact O-ND2 3.16Å; T499-N501 VanDerWaalsContact C-N 3.35Å; T499-N501 PolarHBondContact O-N 3.1Å; N501-A504 PolarHBondContact O-N 3.09Å; N501-S505 WeakPolarHBondContact O-CB 3.43Å; N501-S505 PolarHBondContact O-N 3.4Å; N501-S505 PolarHBondContact O-OG 3.45Å
502L63.9Low59.2Low102 Ų102110.6 Ų110.653%0.53458%0.581SS.*Hα-helixtrans-63.4-51.3173.2-88.9159.4000110.6L498 T499 A504 S505 E506L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.4Å; T499-L502 PolarHBondContact O-N 3.07Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 3.07Å; L502-S505 PolarHBondContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 3.41Å; L502-E506 PolarHBondContact O-N 2.91Å
503L60.1Low57.2Low108 Ų108113.8 Ų113.857%0.56559%0.594SS**Hα-helixtrans-58.4-40.2175.7-73.2163.7000112.1T499 S505 E506 S507T499-L503 WeakPolarHBondContact O-CB 3.34Å; T499-L503 WeakPolarHBondContact O-CG 3.42Å; T499-L503 PolarHBondContact O-N 3.29Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 2.87Å; L503-E506 PolarHBondContact O-N 3.43Å; L503-S507 WeakPolarHBondContact O-CB 3.5Å; L503-S507 PolarHBondContact O-N 3.35Å; L503-S507 VanDerWaalsContact O-N 3.08Å; L503-S507 PolarHBondContact O-OG 2.99Å; L503-S507 VanDerWaalsContact O-OG 3.11Å
504A55.3Low55.2Low47 Ų47117.9 Ų117.939%0.38862%0.617SS.*Hα-helixtrans-65.5-33.7173.900000113.1D500 N501 L502 S507 H508D500-A504 VanDerWaalsContact O-CB 3.27Å; D500-A504 WeakPolarHBondContact O-CB 3.47Å; D500-A504 PolarHBondContact O-N 3.41Å; N501-A504 PolarHBondContact O-N 3.09Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 3.07Å; A504-S507 WeakPolarHBondContact CA-OG 3.32Å; A504-S507 PolarHBondContact O-OG 2.78Å; A504-S507 VanDerWaalsContact O-OG 3.1Å; A504-H508 PolarHBondContact O-CD2 3.01Å; A504-H508 VanDerWaalsContact O-CD2 3.26Å
505S49.8Very low52.9Low72 Ų72114.2 Ų114.250%0.50363%0.627SS.*Hα-helixtrans-73.9-36.7177.372.80000112.9N501 L502 L503N501-S505 WeakPolarHBondContact O-CB 3.43Å; N501-S505 PolarHBondContact O-N 3.4Å; N501-S505 PolarHBondContact O-OG 3.45Å; L502-S505 PolarHBondContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 3.41Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 2.87Å
506E48.3Very low50.9Low133 Ų133116.5 Ų116.562%0.62164%0.64SS**Hα-helixtrans-72.3-33.4177.1-68.3-178.9150.500111.8L502 L503 H508L502-E506 PolarHBondContact O-N 2.91Å; L503-E506 PolarHBondContact O-N 3.43Å; E506-H508 PolarHBondContact O-N 2.76Å
507S41.9Very low48.7Very low80 Ų80120.6 Ų120.656%0.55966%0.659SS**THydrogen-bonded Turntrans-74.1-2.4178.662.40000115.5L503 A504L503-S507 WeakPolarHBondContact O-CB 3.5Å; L503-S507 PolarHBondContact O-N 3.35Å; L503-S507 VanDerWaalsContact O-N 3.08Å; L503-S507 PolarHBondContact O-OG 2.99Å; L503-S507 VanDerWaalsContact O-OG 3.11Å; A504-S507 WeakPolarHBondContact CA-OG 3.32Å; A504-S507 PolarHBondContact O-OG 2.78Å; A504-S507 VanDerWaalsContact O-OG 3.1Å
508H39.6Very low46.7Very low167 Ų167125.1 Ų125.177%0.77367%0.672SS**THydrogen-bonded Turntrans-107.63.8-174.9-96.2-95.5000115.1A504 E506A504-H508 PolarHBondContact O-CD2 3.01Å; A504-H508 VanDerWaalsContact O-CD2 3.26Å; E506-H508 PolarHBondContact O-N 2.76Å
509S39.4Very low44.8Very low100 Ų100126.5 Ų126.570%0.69969%0.686SS**SBendtrans-114.2-4.2-17963.40000115.1
510V38.4Very low43.1Very low108 Ų108127.9 Ų127.966%0.65570%0.699SS**SBendtrans-128.3163.8-179.2-172.40000109
511I35.7Very low41.6Very low144 Ų144131.4 Ų131.474%0.73871%0.712SS**  trans71.260.2-175.8-39.8175.7000112.9
512N35.7Very low40Very low167 Ų167132.2 Ų132.289%0.89372%0.721SS**SBendtrans-120.447.8154.2-152.3-6.6000110
513K36Very low38.6Very low187 Ų187132.5 Ų132.581%0.81373%0.727SS**SBendtrans-172.8155.2177.7-104.4164.6-176176.30107.4
514L34.1Very low37.5Very low172 Ų172134.8 Ų134.890%0.90174%0.738SS**  trans69.1107.8-171.7-53.7173.8000113.9
515G29.3Very low36.2Very low76 Ų76139.3 Ų139.378%0.78476%0.756SS**  trans-103.1103.8167.300000110.6
516M34.2Very low35.8Very low170 Ų170144.8 Ų144.884%0.83777%0.771SS**  trans-147.4135.9163-89.1-73.295.500107.8Y518M516-Y518 PolarHBondContact O-N 3.22Å
517E29Very low35Very low193 Ų193146.4 Ų146.490%0.90278%0.778SS**  trans-79.7121.1-173.6-62.3179.5125.100111.2
518Y31.9Very low34.6Very low216 Ų216148 Ų14885%0.84779%0.786SS**  trans-137.597.7173.5-104.2-90.1000111M516 S520M516-Y518 PolarHBondContact O-N 3.22Å; Y518-S520 PolarHBondContact O-N 2.92Å
519T34.2Very low34.5Very low141 Ų141147.1 Ų147.187%0.86579%0.787SS**  trans-89.693172.749.60000110.5Q521T519-Q521 PolarHBondContact O-N 3.29Å; T519-Q521 VanDerWaalsContact O-N 3.08Å
520S33.8Very low34.3Very low104 Ų104150 Ų15073%0.72779%0.793SS**  trans-78.185-177.742.30000113Y518 V522Y518-S520 PolarHBondContact O-N 2.92Å; S520-V522 PolarHBondContact O-N 2.97Å; S520-V522 VanDerWaalsContact O-N 3.15Å
521Q35.6Very low34.3Very low163 Ų163152.5 Ų152.576%0.76280%0.798SS**  trans-73.1101.6174.2-167.970.234.500111.2T519 T523T519-Q521 PolarHBondContact O-N 3.29Å; T519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-T523 PolarHBondContact O-N 3.33Å; Q521-T523 VanDerWaalsContact O-N 3.09Å
522V33.9Very low35.3Very low126 Ų126153.8 Ų153.876%0.76480%0.8SS**  trans-70.7103.7175.5179.60000110.3S520S520-V522 PolarHBondContact O-N 2.97Å; S520-V522 VanDerWaalsContact O-N 3.15Å
523T34.2Very low36.8Very low109 Ų109150 Ų15067%0.66978%0.783SS**  trans-87.7119176.348.70000111.4Q521Q521-T523 PolarHBondContact O-N 3.33Å; Q521-T523 VanDerWaalsContact O-N 3.09Å
524I37.4Very low38.5Very low155 Ų155142.9 Ų142.980%0.79576%0.757SS**  trans-86.3117.1167.5-63.4175.8000108.3K526I524-K526 PolarHBondContact O-N 3.24Å; I524-K526 VanDerWaalsContact O-N 3.12Å
525D28.4Very low40.8Very low143 Ų143140 Ų14077%0.76574%0.738SS**  trans-64.3110.6-176.4-89.4-53.8000113.6
526K40.4Very low43.7Very low187 Ų187136.5 Ų136.581%0.81370%0.702SS**  trans-139.1102.5152.4-73.3-169.6178.1178.50108.6I524 P528I524-K526 PolarHBondContact O-N 3.24Å; I524-K526 VanDerWaalsContact O-N 3.12Å; K526-P528 WeakPolarHBondContact O-CD 3.33Å
527Q31.6Very low46.2Very low167 Ų167131.8 Ų131.878%0.7868%0.683SS**  trans-56.2121.3177.2-67.6176.3-22.100111.1L529Q527-L529 PolarHBondContact O-N 2.88Å
528P34Very low48.8Very low112 Ų112128.4 Ų128.473%0.72767%0.667SS**  trans-79.4105.6165.231.1-29.2000108.6K526 L530K526-P528 WeakPolarHBondContact O-CD 3.33Å; P528-L530 PolarHBondContact O-N 3.38Å
529L37.2Very low51.7Low150 Ų150121 Ų12179%0.78565%0.646SS**  trans-62.4129.5165.9-87.374.2000108.8Q527Q527-L529 PolarHBondContact O-N 2.88Å
530L34.8Very low54.2Low160 Ų160115.9 Ų115.984%0.83862%0.621SS**  trans20.198.6174.7-71.1101.8000115.6P528 E532P528-L530 PolarHBondContact O-N 3.38Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.08Å
531H39.7Very low56.7Low161 Ų161113.8 Ų113.875%0.74560%0.604SS**  trans-72.586.2173.4-159.3-47.5000110.5T533H531-T533 PolarHBondContact O-N 3.42Å
532E55.7Low59Low170 Ų170108.3 Ų108.379%0.79458%0.582SS**PPolyproline II helixtrans-50.3133162.9-67.4179.1161.400108.6L530L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.08Å
533T67.7Low61.2Low87 Ų87104.5 Ų104.553%0.53456%0.557SS.*PPolyproline II helixtrans-67.3128.1175.335.30000108.3H531 Q535 V542H531-T533 PolarHBondContact O-N 3.42Å; T533-Q535 PolarHBondContact O-N 3.12Å; T533-Q535 VanDerWaalsContact O-N 3.1Å; T533-V542 WeakPolarHBondContact OG1-CG1 3.32Å
534P72.5Confident62.9Low39 Ų39106.2 Ų106.225%0.25356%0.56SS.*PPolyproline II helixtrans-60.4123.2-171.620.4-29.8000110.2N543 W549 Y558P534-N543 HydrophobicContact CG-CB 3.89Å; P534-N543 PolarHBondContact O-N 2.75Å; P534-W549 WeakPolarHBondContact O-CH2 3.39Å; P534-Y558 HydrophobicContact CB-CD2 4.17Å; P534-Y558 HydrophobicContact CB-CG 4.3Å
535Q82Confident64.2Low111 Ų111105.1 Ų105.152%0.51955%0.552SS.*BIsolated β-bridgetrans-102.7140.6-179.4-166.8-178.231.200110T533 V537 G540 T541 V542 W549T533-Q535 PolarHBondContact O-N 3.12Å; T533-Q535 VanDerWaalsContact O-N 3.1Å; Q535-V537 PolarHBondContact O-N 3.24Å; Q535-G540 VanDerWaalsContact CG-O 3.27Å; Q535-G540 WeakPolarHBondContact CG-O 3.46Å; Q535-G540 PolarHBondContact NE2-O 2.77Å; Q535-T541 CarbonylContact C-O 3.6Å; Q535-T541 WeakPolarHBondContact CA-O 2.86Å; Q535-V542 HydrophobicContact CB-CG2 4.49Å; Q535-V542 HydrophobicContact CG-CG2 4.07Å; Q535-W549 VanDerWaalsContact C-CZ3 3.49Å
536C90.1Very high65.6Low2 Ų2106.7 Ų106.71%0.01456%0.561CS.*PPolyproline II helixtrans-75.5117.1179.8-1800000109.2Q538 C539 G540 T541 W549 Y558 C560C536-Q538 PolarHBondContact O-N 2.98Å; C536-C539 VanDerWaalsContact CB-SG 3.59Å; C536-C539 PolarHBondContact O-N 2.63Å; C536-C539 VanDerWaalsContact SG-SG 3.61Å; C536-G540 WeakPolarHBondContact O-CA 3.33Å; C536-G540 PolarHBondContact O-N 3.42Å; C536-T541 PolarHBondContact N-O 3.41Å; C536-W549 VanDerWaalsContact CA-CZ3 3.45Å; C536-W549 HydrophobicContact CB-CE3 4.44Å; C536-W549 HydrophobicContact CB-CH2 3.71Å; C536-W549 HydrophobicContact CB-CZ3 3.61Å; C536-W549 VanDerWaalsContact N-CZ3 3.25Å; C536-Y558 WeakPolarHBondContact CA-O 3.33Å; C536-C560 HydrophobicContact CB-CB 4.2Å; C536-C560 PolarHBondContact SG-N 2.86Å
537V86.7Confident66.9Low72 Ų72102.2 Ų102.244%0.43654%0.542SS..THydrogen-bonded Turntrans-62.2-20.2-176.1175.70000113.2Q535 L557 Y558Q535-V537 PolarHBondContact O-N 3.24Å; V537-L557 HydrophobicContact CB-CB 4.47Å; V537-L557 HydrophobicContact CB-CD1 4.31Å; V537-L557 HydrophobicContact CG1-CD1 3.88Å; V537-L557 HydrophobicContact CG2-CB 3.85Å; V537-L557 HydrophobicContact CG2-CD1 3.93Å; V537-L557 HydrophobicContact CG2-CD2 4Å; V537-L557 HydrophobicContact CG2-CG 4.1Å; V537-Y558 PolarHBondContact N-O 3.33Å
538Q84.2Confident68.7Low121 Ų121102 Ų10257%0.56554%0.542SS*.THydrogen-bonded Turntrans-91.5-31.9-177.5-172.762.536.600114.1C536 L559 C563C536-Q538 PolarHBondContact O-N 2.98Å; Q538-L559 HydrophobicContact CB-CD2 3.81Å; Q538-C563 HydrophobicContact CB-CB 3.83Å; Q538-C563 HydrophobicContact CG-CB 3.91Å
539C90.9Very high71Confident60 Ų6098.5 Ų98.541%0.40551%0.514SS..THydrogen-bonded Turntrans-129.4-6-175.363.80000115.6C536 T541 C560 C563C536-C539 VanDerWaalsContact CB-SG 3.59Å; C536-C539 PolarHBondContact O-N 2.63Å; C536-C539 VanDerWaalsContact SG-SG 3.61Å; C539-T541 PolarHBondContact O-N 3.07Å; C539-T541 PolarHBondContact SG-OG1 2.69Å; C539-C560 VanDerWaalsContact SG-SG 3.67Å; C539-C563 VanDerWaalsContact CB-SG 3.59Å
540G86.9Confident73.2Confident34 Ų3493.7 Ų93.735%0.35149%0.491SS..  trans75.7-3.4-179.100000115.6Q535 C536 V542Q535-G540 VanDerWaalsContact CG-O 3.27Å; Q535-G540 WeakPolarHBondContact CG-O 3.46Å; Q535-G540 PolarHBondContact NE2-O 2.77Å; C536-G540 WeakPolarHBondContact O-CA 3.33Å; C536-G540 PolarHBondContact O-N 3.42Å; G540-V542 PolarHBondContact O-N 3.28Å
541T87.1Confident75.6Confident61 Ų6190.4 Ų90.437%0.37447%0.47SS..  trans-55.9132.8172-53.10000109.9Q535 C536 C539 W549Q535-T541 CarbonylContact C-O 3.6Å; Q535-T541 WeakPolarHBondContact CA-O 2.86Å; C536-T541 PolarHBondContact N-O 3.41Å; C539-T541 PolarHBondContact O-N 3.07Å; C539-T541 PolarHBondContact SG-OG1 2.69Å; T541-W549 VanDerWaalsContact O-CH2 3.26Å; T541-W549 WeakPolarHBondContact O-CH2 3.49Å
542V83.5Confident77.4Confident48 Ų4884.7 Ų84.729%0.29145%0.445SS..BIsolated β-bridgetrans-93.9145.9175.8176.90000109.1T533 Q535 G540 I544T533-V542 WeakPolarHBondContact OG1-CG1 3.32Å; Q535-V542 HydrophobicContact CB-CG2 4.49Å; Q535-V542 HydrophobicContact CG-CG2 4.07Å; G540-V542 PolarHBondContact O-N 3.28Å; V542-I544 HydrophobicContact CB-CD1 4.3Å; V542-I544 HydrophobicContact CB-CG1 4.17Å; V542-I544 HydrophobicContact CG1-CG1 4.2Å; V542-I544 WeakPolarHBondContact O-CG1 3.31Å; V542-I544 PolarHBondContact O-N 3.45Å
543N80.1Confident78.3Confident45 Ų4587.3 Ų87.324%0.24145%0.447CS..  trans-74.492.7176-15827.6000111.2P534 E545 W549P534-N543 HydrophobicContact CG-CB 3.89Å; P534-N543 PolarHBondContact O-N 2.75Å; N543-E545 PolarHBondContact OD1-O 3.26Å; N543-W549 HydrophobicContact CB-CH2 4.18Å; N543-W549 HydrophobicContact CB-CZ2 3.53Å; N543-W549 VanDerWaalsContact CG-NE1 3.31Å; N543-W549 PolarHBondContact OD1-NE1 3.22Å
544I70.7Confident78.6Confident145 Ų14588.9 Ų88.974%0.74445%0.451SS*.  trans-97.3-20.6-174.6-64.4157.8000111.9V542V542-I544 HydrophobicContact CB-CD1 4.3Å; V542-I544 HydrophobicContact CB-CG1 4.17Å; V542-I544 HydrophobicContact CG1-CG1 4.2Å; V542-I544 WeakPolarHBondContact O-CG1 3.31Å; V542-I544 PolarHBondContact O-N 3.45Å
545E63.8Low78.5Confident133 Ų13388.4 Ų88.462%0.62145%0.448SS*.SBendtrans-131.6171.2-177.5-62.3174.2152.600109.8N543 Q547N543-E545 PolarHBondContact OD1-O 3.26Å; E545-Q547 HydrophobicContact CB-CG 4.33Å; E545-Q547 PolarHBondContact O-N 3Å; E545-Q547 PolarHBondContact OE2-NE2 3.01Å
546N58.8Low78.3Confident176 Ų17689.4 Ų89.494%0.94145%0.452SS*.SBendtrans-73.640.5-178.1-74.7-36.6000114.5
547Q66.2Low78Confident92 Ų9291.4 Ų91.443%0.4346%0.463SS..  trans-66.6137.2174.3-58.6-177.19.400109.5E545E545-Q547 HydrophobicContact CB-CG 4.33Å; E545-Q547 PolarHBondContact O-N 3Å; E545-Q547 PolarHBondContact OE2-NE2 3.01Å
548Q70.7Confident78Confident164 Ų16493.2 Ų93.277%0.76646%0.463SS*.  trans-71.7130.9167.5-75.2-175.1-17.700109.5N561Q548-N561 VanDerWaalsContact O-CG 3.27Å; Q548-N561 PolarHBondContact O-ND2 3.37Å; Q548-N561 PolarHBondContact O-OD1 2.6Å
549W82.6Confident78.2Confident37 Ų3788.3 Ų88.314%0.1444%0.44CS..  trans-116.8146.8178.3-80.452.1000111.3P534 Q535 C536 T541 N543 Y558 C560P534-W549 WeakPolarHBondContact O-CH2 3.39Å; Q535-W549 VanDerWaalsContact C-CZ3 3.49Å; C536-W549 VanDerWaalsContact CA-CZ3 3.45Å; C536-W549 HydrophobicContact CB-CE3 4.44Å; C536-W549 HydrophobicContact CB-CH2 3.71Å; C536-W549 HydrophobicContact CB-CZ3 3.61Å; C536-W549 VanDerWaalsContact N-CZ3 3.25Å; T541-W549 VanDerWaalsContact O-CH2 3.26Å; T541-W549 WeakPolarHBondContact O-CH2 3.49Å; N543-W549 HydrophobicContact CB-CH2 4.18Å; N543-W549 HydrophobicContact CB-CZ2 3.53Å; N543-W549 VanDerWaalsContact CG-NE1 3.31Å; N543-W549 PolarHBondContact OD1-NE1 3.22Å; W549-Y558 HydrophobicContact CB-CD1 4.45Å; W549-C560 HydrophobicContact CD2-CB 4.39Å; W549-C560 HydrophobicContact CZ2-CB 4.44Å
550V82.4Confident78.2Confident50 Ų5085.7 Ų85.730%0.30342%0.422SS..EExtended strand (participates in β ladder)trans-94.3109.2-179.11800000109D552 L559 N564V550-D552 PolarHBondContact O-N 3.1Å; V550-L559 PolarHBondContact N-O 2.9Å; V550-L559 PolarHBondContact O-N 2.84Å; V550-N564 HydrophobicContact CB-CB 4.32Å; V550-N564 HydrophobicContact CG2-CB 4.3Å
551F86.1Confident78.2Confident90 Ų9086.9 Ų86.940%0.39542%0.421SS..EExtended strand (participates in β ladder)trans-78.2104.5167.6-175.6-98.4000109.4R553 E556 Y558F551-R553 HydrophobicContact CD1-CG 4.28Å; F551-R553 PolarHBondContact O-N 3.09Å; F551-E556 VanDerWaalsContact CE2-C 3.47Å; F551-E556 HydrophobicContact CZ-CB 4.12Å; F551-Y558 HydrophobicContact CB-CD1 4.15Å; F551-Y558 HydrophobicContact CB-CE1 3.94Å; F551-Y558 AromaticContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD2 4.02Å; F551-Y558 AromaticContact CD2-CE1 3.78Å; F551-Y558 HydrophobicContact CD2-CE1 3.78Å; F551-Y558 AromaticContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CG 4.12Å; F551-Y558 AromaticContact CD2-CZ 3.69Å; F551-Y558 HydrophobicContact CE2-CD2 4.43Å; F551-Y558 HydrophobicContact CE2-CE2 4.14Å; F551-Y558 HydrophobicContact CG-CE1 4.29Å
552D77.4Confident78.3Confident42 Ų4291 Ų9123%0.22544%0.436CS..EExtended strand (participates in β ladder)trans-75113175.2168.832.7000110V550 I554 T555 E556 L557 L559V550-D552 PolarHBondContact O-N 3.1Å; D552-I554 PolarHBondContact O-N 3.15Å; D552-I554 WeakPolarHBondContact OD1-CB 3.44Å; D552-I554 PolarHBondContact OD1-N 2.94Å; D552-T555 WeakPolarHBondContact CB-OG1 3.49Å; D552-T555 PolarHBondContact O-N 3.1Å; D552-T555 WeakPolarHBondContact OD2-CB 3.48Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.45Å; D552-T555 PolarHBondContact OD2-N 3.11Å; D552-T555 PolarHBondContact OD2-OG1 3.34Å; D552-E556 VanDerWaalsContact O-CA 3.31Å; D552-E556 WeakPolarHBondContact O-CA 3.27Å; D552-E556 PolarHBondContact O-N 3.36Å; D552-L557 PolarHBondContact N-O 3.14Å; D552-L557 PolarHBondContact O-N 2.9Å; D552-L559 HydrophobicContact CB-CD1 4.21Å
553R73.9Confident78.7Confident225 Ų22589.5 Ų89.585%0.84943%0.427SS*.THydrogen-bonded Turntrans-69.2-11.3178.2-53.1-174.8-166.3-173.74.8113.9F551F551-R553 HydrophobicContact CD1-CG 4.28Å; F551-R553 PolarHBondContact O-N 3.09Å
554I73.5Confident79.1Confident119 Ų11989.2 Ų89.261%0.6143%0.426SS*.THydrogen-bonded Turntrans-83.7-41.9177.1-58.3176.2000110.1D552D552-I554 PolarHBondContact O-N 3.15Å; D552-I554 WeakPolarHBondContact OD1-CB 3.44Å; D552-I554 PolarHBondContact OD1-N 2.94Å
555T71Confident79.9Confident30 Ų3088 Ų8818%0.18442%0.417CS..THydrogen-bonded Turntrans-90.4-18.2175.852.90000113.4D552 L557 K633D552-T555 WeakPolarHBondContact CB-OG1 3.49Å; D552-T555 PolarHBondContact O-N 3.1Å; D552-T555 WeakPolarHBondContact OD2-CB 3.48Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.45Å; D552-T555 PolarHBondContact OD2-N 3.11Å; D552-T555 PolarHBondContact OD2-OG1 3.34Å; T555-L557 VanDerWaalsContact C-N 3.28Å; T555-L557 WeakPolarHBondContact O-CG 3.33Å; T555-K633 WeakPolarHBondContact O-CE 3.16Å; T555-K633 PolarHBondContact O-NZ 2.85Å
556E78Confident81.1Confident131 Ų13186.4 Ų86.461%0.61241%0.409SS*.THydrogen-bonded Turntrans60.134.7-169-44.6164.3129.100112.6F551 D552 K633F551-E556 VanDerWaalsContact CE2-C 3.47Å; F551-E556 HydrophobicContact CZ-CB 4.12Å; D552-E556 VanDerWaalsContact O-CA 3.31Å; D552-E556 WeakPolarHBondContact O-CA 3.27Å; D552-E556 PolarHBondContact O-N 3.36Å; E556-K633 IonicContact OE2-NZ 2.72Å; E556-K633 PolarHBondContact OE2-NZ 2.93Å
557L83.1Confident82.5Confident45 Ų4580.4 Ų80.424%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-134158.9-172.7-64.2170.2000112V537 D552 T555 K633V537-L557 HydrophobicContact CB-CB 4.47Å; V537-L557 HydrophobicContact CB-CD1 4.31Å; V537-L557 HydrophobicContact CG1-CD1 3.88Å; V537-L557 HydrophobicContact CG2-CB 3.85Å; V537-L557 HydrophobicContact CG2-CD1 3.93Å; V537-L557 HydrophobicContact CG2-CD2 4Å; V537-L557 HydrophobicContact CG2-CG 4.1Å; D552-L557 PolarHBondContact N-O 3.14Å; D552-L557 PolarHBondContact O-N 2.9Å; T555-L557 VanDerWaalsContact C-N 3.28Å; T555-L557 WeakPolarHBondContact O-CG 3.33Å; L557-K633 HydrophobicContact CD1-CD 4.16Å; L557-K633 HydrophobicContact CD1-CG 4.13Å
558Y87.5Confident83.4Confident110 Ų11079.5 Ų79.543%0.43138%0.375SS..EExtended strand (participates in β ladder)trans-91.8128.7-177.4-77.9-75.8000111.7P534 C536 V537 W549 F551P534-Y558 HydrophobicContact CB-CD2 4.17Å; P534-Y558 HydrophobicContact CB-CG 4.3Å; C536-Y558 WeakPolarHBondContact CA-O 3.33Å; V537-Y558 PolarHBondContact N-O 3.33Å; W549-Y558 HydrophobicContact CB-CD1 4.45Å; F551-Y558 HydrophobicContact CB-CD1 4.15Å; F551-Y558 HydrophobicContact CB-CE1 3.94Å; F551-Y558 AromaticContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD1 4Å; F551-Y558 HydrophobicContact CD2-CD2 4.02Å; F551-Y558 AromaticContact CD2-CE1 3.78Å; F551-Y558 HydrophobicContact CD2-CE1 3.78Å; F551-Y558 AromaticContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CE2 3.81Å; F551-Y558 HydrophobicContact CD2-CG 4.12Å; F551-Y558 AromaticContact CD2-CZ 3.69Å; F551-Y558 HydrophobicContact CE2-CD2 4.43Å; F551-Y558 HydrophobicContact CE2-CE2 4.14Å; F551-Y558 HydrophobicContact CG-CE1 4.29Å
559L88Confident84.1Confident18 Ų1876.1 Ų76.19%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-116.5134174-69.2165.6000110Q538 V550 D552 C563 N564 I567Q538-L559 HydrophobicContact CB-CD2 3.81Å; V550-L559 PolarHBondContact N-O 2.9Å; V550-L559 PolarHBondContact O-N 2.84Å; D552-L559 HydrophobicContact CB-CD1 4.21Å; L559-C563 HydrophobicContact CD2-CB 4.23Å; L559-N564 HydrophobicContact CB-CB 4.31Å; L559-I567 HydrophobicContact CD1-CD1 4.08Å; L559-I567 HydrophobicContact CD2-CD1 4.06Å
560C91.9Very high84.2Confident4 Ų476.8 Ų76.83%0.02737%0.368CS..  trans-68.1160.4164.7720000109.9C536 C539 W549 E562 C563 N564C536-C560 HydrophobicContact CB-CB 4.2Å; C536-C560 PolarHBondContact SG-N 2.86Å; C539-C560 VanDerWaalsContact SG-SG 3.67Å; W549-C560 HydrophobicContact CD2-CB 4.39Å; W549-C560 HydrophobicContact CZ2-CB 4.44Å; C560-E562 VanDerWaalsContact C-N 3.31Å; C560-E562 PolarHBondContact O-N 3.44Å; C560-C563 PolarHBondContact O-N 3.35Å; C560-C563 PolarHBondContact SG-N 3.08Å; C560-C563 VanDerWaalsContact SG-SG 3.67Å; C560-N564 PolarHBondContact O-N 3.49Å
561N86.9Confident84.1Confident60 Ų6077.4 Ų77.432%0.32137%0.37SS..Hα-helixtrans-60.8-38.2-176.5-75.6-32.9000113.1Q548 N564 Q565Q548-N561 VanDerWaalsContact O-CG 3.27Å; Q548-N561 PolarHBondContact O-ND2 3.37Å; Q548-N561 PolarHBondContact O-OD1 2.6Å; N561-N564 PolarHBondContact O-N 3.13Å; N561-Q565 WeakPolarHBondContact O-CB 3.43Å; N561-Q565 VanDerWaalsContact O-CG 3.26Å; N561-Q565 WeakPolarHBondContact O-CG 3.31Å; N561-Q565 PolarHBondContact O-N 2.97Å
562E88.2Confident83.8Confident148 Ų14876.7 Ų76.769%0.69237%0.37SS*.Hα-helixtrans-61.3-49.1178.5-59.9179.8151.600111.6C560 N564 Q565 Q566C560-E562 VanDerWaalsContact C-N 3.31Å; C560-E562 PolarHBondContact O-N 3.44Å; E562-N564 PolarHBondContact O-N 2.72Å; E562-Q565 PolarHBondContact O-N 3.49Å; E562-Q566 WeakPolarHBondContact O-CB 3.29Å; E562-Q566 PolarHBondContact O-N 2.99Å
563C91.6Very high83.8Confident15 Ų1582.8 Ų82.810%0.10139%0.39CS..Hα-helixtrans-65.6-39.2177.8-75.10000112.3Q538 C539 L559 C560 Q566 I567Q538-C563 HydrophobicContact CB-CB 3.83Å; Q538-C563 HydrophobicContact CG-CB 3.91Å; C539-C563 VanDerWaalsContact CB-SG 3.59Å; L559-C563 HydrophobicContact CD2-CB 4.23Å; C560-C563 PolarHBondContact O-N 3.35Å; C560-C563 PolarHBondContact SG-N 3.08Å; C560-C563 VanDerWaalsContact SG-SG 3.67Å; C563-Q566 PolarHBondContact O-N 3.12Å; C563-I567 WeakPolarHBondContact O-CB 3.33Å; C563-I567 WeakPolarHBondContact O-CD1 3.41Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.09Å; C563-I567 PolarHBondContact O-N 3Å
564N89.8Confident83.9Confident40 Ų4075.7 Ų75.721%0.21437%0.368CS..Hα-helixtrans-64.2-42173.7176.456.9000111.8V550 L559 C560 N561 E562 N568V550-N564 HydrophobicContact CB-CB 4.32Å; V550-N564 HydrophobicContact CG2-CB 4.3Å; L559-N564 HydrophobicContact CB-CB 4.31Å; C560-N564 PolarHBondContact O-N 3.49Å; N561-N564 PolarHBondContact O-N 3.13Å; E562-N564 PolarHBondContact O-N 2.72Å; N564-N568 PolarHBondContact O-N 2.8Å; N564-N568 PolarHBondContact O-ND2 3.38Å; N564-N568 PolarHBondContact OD1-ND2 3.05Å; N564-N568 VanDerWaalsContact OD1-ND2 3.12Å
565Q87.1Confident83.9Confident119 Ų11975.7 Ų75.756%0.55636%0.364SS*.Hα-helixtrans-63.2-45.5174.9-74.5176.521.400111.3N561 E562 I567 N568 N569N561-Q565 WeakPolarHBondContact O-CB 3.43Å; N561-Q565 VanDerWaalsContact O-CG 3.26Å; N561-Q565 WeakPolarHBondContact O-CG 3.31Å; N561-Q565 PolarHBondContact O-N 2.97Å; E562-Q565 PolarHBondContact O-N 3.49Å; Q565-I567 PolarHBondContact O-N 3.24Å; Q565-N568 PolarHBondContact O-N 2.71Å; Q565-N568 VanDerWaalsContact O-N 3.14Å; Q565-N569 WeakPolarHBondContact O-CB 3.46Å; Q565-N569 VanDerWaalsContact O-CG 3.23Å; Q565-N569 PolarHBondContact O-N 2.89Å; Q565-N569 PolarHBondContact O-ND2 2.97Å
566Q88.6Confident83.8Confident100 Ų10077.6 Ų77.647%0.46738%0.378SS..Hα-helixtrans-59.9-46.7177.3-175.956.832.600112E562 C563 N568 N569 D570E562-Q566 WeakPolarHBondContact O-CB 3.29Å; E562-Q566 PolarHBondContact O-N 2.99Å; C563-Q566 PolarHBondContact O-N 3.12Å; Q566-N568 VanDerWaalsContact C-N 3.28Å; Q566-N568 PolarHBondContact O-N 3.04Å; Q566-N569 PolarHBondContact O-N 3.07Å; Q566-N569 VanDerWaalsContact O-N 3.16Å; Q566-D570 PolarHBondContact NE2-OD2 3.3Å; Q566-D570 PolarHBondContact O-N 3.14Å
567I87Confident83.2Confident50 Ų5075.3 Ų75.326%0.25637%0.373SS..Hα-helixtrans-58.7-40.6175.4-71.1165.1000110.9L559 C563 Q565 N571L559-I567 HydrophobicContact CD1-CD1 4.08Å; L559-I567 HydrophobicContact CD2-CD1 4.06Å; C563-I567 WeakPolarHBondContact O-CB 3.33Å; C563-I567 WeakPolarHBondContact O-CD1 3.41Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.09Å; C563-I567 PolarHBondContact O-N 3Å; Q565-I567 PolarHBondContact O-N 3.24Å; I567-N571 WeakPolarHBondContact O-CB 3.36Å; I567-N571 PolarHBondContact O-N 3.03Å; I567-N571 PolarHBondContact O-ND2 3.04Å
568N85.6Confident81.9Confident72 Ų7280.7 Ų80.739%0.38539%0.391SS..Hα-helixtrans-69.1-38.5176.5-77.8-64000112.6N564 Q565 Q566 N571 N572N564-N568 PolarHBondContact O-N 2.8Å; N564-N568 PolarHBondContact O-ND2 3.38Å; N564-N568 PolarHBondContact OD1-ND2 3.05Å; N564-N568 VanDerWaalsContact OD1-ND2 3.12Å; Q565-N568 PolarHBondContact O-N 2.71Å; Q565-N568 VanDerWaalsContact O-N 3.14Å; Q566-N568 VanDerWaalsContact C-N 3.28Å; Q566-N568 PolarHBondContact O-N 3.04Å; N568-N571 PolarHBondContact O-N 2.99Å; N568-N572 WeakPolarHBondContact O-CB 3.2Å; N568-N572 PolarHBondContact O-N 2.83Å; N568-N572 PolarHBondContact O-ND2 2.95Å
569N86.1Confident80.4Confident93 Ų9383.9 Ų83.950%0.49741%0.407SS..Hα-helixtrans-63.3-47175.5-70.9-21.5000111.8Q565 Q566 N572 R573Q565-N569 WeakPolarHBondContact O-CB 3.46Å; Q565-N569 VanDerWaalsContact O-CG 3.23Å; Q565-N569 PolarHBondContact O-N 2.89Å; Q565-N569 PolarHBondContact O-ND2 2.97Å; Q566-N569 PolarHBondContact O-N 3.07Å; Q566-N569 VanDerWaalsContact O-N 3.16Å; N569-N572 PolarHBondContact O-N 3.16Å; N569-N572 VanDerWaalsContact O-N 3.15Å; N569-R573 WeakPolarHBondContact O-CB 3.39Å; N569-R573 PolarHBondContact O-N 3.22Å
570D83.6Confident78.4Confident52 Ų5290.5 Ų90.528%0.27844%0.439SS..Hα-helixtrans-67.1-38.5176.3-78.9-44.1000112.2Q566 N572 R573 I574Q566-D570 PolarHBondContact NE2-OD2 3.3Å; Q566-D570 PolarHBondContact O-N 3.14Å; D570-N572 VanDerWaalsContact C-N 3.26Å; D570-N572 PolarHBondContact O-N 3.39Å; D570-R573 PolarHBondContact O-N 3.34Å; D570-R573 IonicContact OD1-NH1 3.64Å; D570-R573 PolarHBondContact OD1-NH1 3.38Å; D570-I574 WeakPolarHBondContact O-CB 3.31Å; D570-I574 WeakPolarHBondContact O-CD1 3.21Å; D570-I574 VanDerWaalsContact O-CG1 3.22Å; D570-I574 WeakPolarHBondContact O-CG1 3.44Å; D570-I574 PolarHBondContact O-N 2.87Å
571N81.9Confident76.2Confident63 Ų6398.8 Ų98.834%0.33747%0.474SS..Hα-helixtrans-59.5-37.6170.7-86.7-73.3000112I567 N568 K575I567-N571 WeakPolarHBondContact O-CB 3.36Å; I567-N571 PolarHBondContact O-N 3.03Å; I567-N571 PolarHBondContact O-ND2 3.04Å; N568-N571 PolarHBondContact O-N 2.99Å; N571-K575 VanDerWaalsContact O-CG 3.25Å; N571-K575 WeakPolarHBondContact O-CG 3.39Å; N571-K575 PolarHBondContact O-N 3.49Å; N571-K575 VanDerWaalsContact O-N 3.07Å
572N80.1Confident73.9Confident75 Ų75104.6 Ų104.640%0.40150%0.5SS..Hα-helixtrans-73.5-40.5176.9-70.6-21.1000112.1N568 N569 D570 I574 K575 S576N568-N572 WeakPolarHBondContact O-CB 3.2Å; N568-N572 PolarHBondContact O-N 2.83Å; N568-N572 PolarHBondContact O-ND2 2.95Å; N569-N572 PolarHBondContact O-N 3.16Å; N569-N572 VanDerWaalsContact O-N 3.15Å; D570-N572 VanDerWaalsContact C-N 3.26Å; D570-N572 PolarHBondContact O-N 3.39Å; N572-I574 VanDerWaalsContact C-N 3.32Å; N572-I574 PolarHBondContact O-N 2.97Å; N572-K575 WeakPolarHBondContact O-CB 3.44Å; N572-K575 PolarHBondContact O-N 2.92Å; N572-K575 VanDerWaalsContact O-N 3.14Å; N572-K575 PolarHBondContact OD1-NZ 2.97Å; N572-S576 PolarHBondContact O-N 3.3Å; N572-S576 PolarHBondContact O-OG 3.49Å
573R76.5Confident71.4Confident170 Ų170103.2 Ų103.264%0.64250%0.501SS*.Hα-helixtrans-57.1-42.3170.7-180-179.3171.2-165.41.9112N569 D570 S576 T577N569-R573 WeakPolarHBondContact O-CB 3.39Å; N569-R573 PolarHBondContact O-N 3.22Å; D570-R573 PolarHBondContact O-N 3.34Å; D570-R573 IonicContact OD1-NH1 3.64Å; D570-R573 PolarHBondContact OD1-NH1 3.38Å; R573-S576 PolarHBondContact O-N 3.04Å; R573-T577 WeakPolarHBondContact O-CG2 3.47Å; R573-T577 PolarHBondContact O-N 2.85Å; R573-T577 PolarHBondContact O-OG1 3.27Å; R573-T577 VanDerWaalsContact O-OG1 3.12Å
574I75.5Confident68.9Low76 Ų76107.8 Ų107.839%0.3953%0.53SS..Hα-helixtrans-67.4-36.8175.4-68.1164.1000111.7D570 N572 T577 R578D570-I574 WeakPolarHBondContact O-CB 3.31Å; D570-I574 WeakPolarHBondContact O-CD1 3.21Å; D570-I574 VanDerWaalsContact O-CG1 3.22Å; D570-I574 WeakPolarHBondContact O-CG1 3.44Å; D570-I574 PolarHBondContact O-N 2.87Å; N572-I574 VanDerWaalsContact C-N 3.32Å; N572-I574 PolarHBondContact O-N 2.97Å; I574-T577 PolarHBondContact O-OG1 3.48Å; I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 VanDerWaalsContact O-CG 3.23Å; I574-R578 WeakPolarHBondContact O-CG 3.26Å; I574-R578 PolarHBondContact O-N 3.07Å; I574-R578 VanDerWaalsContact O-N 3.16Å
575K73.2Confident66.3Low118 Ų118111.6 Ų111.651%0.51356%0.56SS.*Hα-helixtrans-64.4-43.5172.3-68.5163.6-156.6164.80111.3N571 N572 R578 K579N571-K575 VanDerWaalsContact O-CG 3.25Å; N571-K575 WeakPolarHBondContact O-CG 3.39Å; N571-K575 PolarHBondContact O-N 3.49Å; N571-K575 VanDerWaalsContact O-N 3.07Å; N572-K575 WeakPolarHBondContact O-CB 3.44Å; N572-K575 PolarHBondContact O-N 2.92Å; N572-K575 VanDerWaalsContact O-N 3.14Å; N572-K575 PolarHBondContact OD1-NZ 2.97Å; K575-R578 PolarHBondContact O-N 2.86Å; K575-K579 PolarHBondContact O-N 2.95Å; K575-K579 VanDerWaalsContact O-N 3.09Å
576S68.6Low64.1Low70 Ų70112.8 Ų112.849%0.4957%0.569SS.*Hα-helixtrans-67.3-45.3-179.3-64.20000112.7N572 R573 R578 K579 M580N572-S576 PolarHBondContact O-N 3.3Å; N572-S576 PolarHBondContact O-OG 3.49Å; R573-S576 PolarHBondContact O-N 3.04Å; S576-R578 VanDerWaalsContact C-N 3.31Å; S576-R578 PolarHBondContact O-N 3.47Å; S576-K579 PolarHBondContact O-N 2.71Å; S576-K579 VanDerWaalsContact O-N 3.1Å; S576-M580 PolarHBondContact O-N 2.96Å
577T66Low61.5Low84 Ų84115.7 Ų115.752%0.51559%0.587SS.*Hα-helixtrans-65.3-33.3176.253.90000112.5R573 I574 M580R573-T577 WeakPolarHBondContact O-CG2 3.47Å; R573-T577 PolarHBondContact O-N 2.85Å; R573-T577 PolarHBondContact O-OG1 3.27Å; R573-T577 VanDerWaalsContact O-OG1 3.12Å; I574-T577 PolarHBondContact O-OG1 3.48Å; T577-M580 PolarHBondContact O-N 2.94Å
578R56.5Low59.2Low158 Ų158119.6 Ų119.660%0.59661%0.613SS**Hα-helixtrans-66.8-32.1171.3-73.8178-171.6-164.76.5113.2I574 K575 S576I574-R578 WeakPolarHBondContact O-CB 3.39Å; I574-R578 VanDerWaalsContact O-CG 3.23Å; I574-R578 WeakPolarHBondContact O-CG 3.26Å; I574-R578 PolarHBondContact O-N 3.07Å; I574-R578 VanDerWaalsContact O-N 3.16Å; K575-R578 PolarHBondContact O-N 2.86Å; S576-R578 VanDerWaalsContact C-N 3.31Å; S576-R578 PolarHBondContact O-N 3.47Å
579K56.7Low56.8Low177 Ų177121.9 Ų121.977%0.7763%0.632SS**Hα-helixtrans-70.2-29.8175.1-78.2-175.1174-1730113.3K575 S576 K581K575-K579 PolarHBondContact O-N 2.95Å; K575-K579 VanDerWaalsContact O-N 3.09Å; S576-K579 PolarHBondContact O-N 2.71Å; S576-K579 VanDerWaalsContact O-N 3.1Å; K579-K581 VanDerWaalsContact C-N 3.31Å; K579-K581 PolarHBondContact O-N 2.95Å
580M44.3Very low54.2Low156 Ų156122.4 Ų122.477%0.76865%0.65SS**THydrogen-bonded Turntrans-74.6-8.2-175.1-76.8-178.515900115.7S576 T577 H582S576-M580 PolarHBondContact O-N 2.96Å; T577-M580 PolarHBondContact O-N 2.94Å; M580-H582 VanDerWaalsContact C-N 3.33Å; M580-H582 PolarHBondContact O-N 3.08Å
581K46.9Very low52.1Low178 Ų178127 Ų12777%0.77467%0.674SS**THydrogen-bonded Turntrans-86.214.4-177.3-96.4-174.8175.8-179.50116.1K579K579-K581 VanDerWaalsContact C-N 3.31Å; K579-K581 PolarHBondContact O-N 2.95Å
582H38Very low50.2Low183 Ų183134 Ų13485%0.84770%0.701SS**  trans-128.376.3170-83.8-71.5000112.3M580M580-H582 VanDerWaalsContact C-N 3.33Å; M580-H582 PolarHBondContact O-N 3.08Å
583V36.2Very low48.2Very low118 Ų118135.1 Ų135.172%0.71572%0.722SS**  trans-97.2122.7160.1179.10000107.9S585V583-S585 PolarHBondContact O-N 2.91Å
584P38.2Very low46.3Very low111 Ų111137.1 Ų137.172%0.72174%0.735SS**  trans-78102.7177.930-32.4000110.6I586P584-I586 PolarHBondContact O-N 2.99Å; P584-I586 VanDerWaalsContact O-N 3.1Å
585S35.6Very low44.7Very low121 Ų121138.5 Ų138.585%0.84675%0.749SS**  trans-69.3103.8177.5-57.70000111.8V583V583-S585 PolarHBondContact O-N 2.91Å
586I40.8Very low42.9Very low144 Ų144143.2 Ų143.274%0.73877%0.77SS**  trans-81.8127171.5-63.7174.3000109.4P584 V588P584-I586 PolarHBondContact O-N 2.99Å; P584-I586 VanDerWaalsContact O-N 3.1Å; I586-V588 PolarHBondContact O-N 2.76Å
587N34.9Very low41.3Very low160 Ų160148.4 Ų148.486%0.85678%0.784SS**  trans12.295164.1-62.5-15000118.3
588V37.1Very low39.8Very low132 Ų132151.2 Ų151.280%0.880%0.796SS**  trans-129.3132.7155.5-178.70000107.3I586I586-V588 PolarHBondContact O-N 2.76Å
589P36.8Very low38.7Very low120 Ų120148.9 Ų148.978%0.77980%0.801SS**  trans-67.1152.6-170.725.5-34.8000113.7D591P589-D591 PolarHBondContact O-N 3.03Å; P589-D591 VanDerWaalsContact O-N 3.13Å
590A30.9Very low37.5Very low105 Ų105148.4 Ų148.487%0.86881%0.806SS**SBendtrans-82.790-171.500000112.9
591D39.8Very low37Very low149 Ų149149.2 Ų149.280%0.79781%0.813SS**SBendtrans-151147.6149.5-126.4-32.6000110.6P589P589-D591 PolarHBondContact O-N 3.03Å; P589-D591 VanDerWaalsContact O-N 3.13Å
592K41.2Very low36.2Very low208 Ų208146.5 Ų146.590%0.90481%0.807SS**  trans65.367.6-176.3-50.7171.1-175.4172.10116.6
593A39.4Very low35.7Very low100 Ų100149.4 Ų149.483%0.82681%0.812SS**  trans-130.6105.6162.600000111.9
594K36.7Very low35.3Very low212 Ų212146.2 Ų146.292%0.92280%0.802SS**PPolyproline II helixtrans-92.9122.3168.4-83.2-173.3174-177.50109.7
595P40.7Very low34.9Very low105 Ų105147.3 Ų147.368%0.68281%0.807SS**PPolyproline II helixtrans-79.4136.117031.7-32.1000110.9
596F36.3Very low34.5Very low217 Ų217152.8 Ų152.895%0.95281%0.809SS**PPolyproline II helixtrans-72.6142.7161.1-108.6-103.2000109.4
597F34.2Very low34.1Very low179 Ų179152.3 Ų152.379%0.78581%0.808SS**PPolyproline II helixtrans-86129.3-175.4-100.1-104.2000112.2P599F597-P599 WeakPolarHBondContact O-CD 3.44Å
598D34.1Very low33.9Very low142 Ų142154.3 Ų154.376%0.75980%0.804SS**  trans-101102169.9-141.9-11.6000107.1L600D598-L600 PolarHBondContact O-N 2.81Å; D598-L600 VanDerWaalsContact O-N 3.12Å
599P33.6Very low33.6Very low110 Ų110155.2 Ų155.271%0.71481%0.805SS**THydrogen-bonded Turntrans-89.477.9-165.835-35.5000112.3F597F597-P599 WeakPolarHBondContact O-CD 3.44Å
600L31.9Very low33.2Very low167 Ų167160.3 Ų160.387%0.87481%0.808SS**THydrogen-bonded Turntrans-168.333.3156-111.5178.8000116.3D598D598-L600 PolarHBondContact O-N 2.81Å; D598-L600 VanDerWaalsContact O-N 3.12Å
601L32.8Very low33.3Very low173 Ų173160.7 Ų160.791%0.90680%0.804SS**  trans-167.585.1167-113.2166.7000112.7
602N30.3Very low32.8Very low121 Ų121156.9 Ų156.965%0.64780%0.8SS**  trans-154.295.2161.4-154.4-4000115.6G604N602-G604 PolarHBondContact OD1-N 3.13Å
603Y28Very low32.4Very low244 Ų244155 Ų15596%0.95780%0.799SS**  trans-128.654.5140.6-96.9-76.4000108.8
604G28.9Very low32.1Very low50 Ų50156.1 Ų156.152%0.51579%0.791SS.*  trans-97.383.2178.100000112.1N602N602-G604 PolarHBondContact OD1-N 3.13Å
605T28.2Very low32Very low135 Ų135154 Ų15483%0.82878%0.784SS**  trans24116.7154.550.10000119.3
606R28.7Very low31.6Very low235 Ų235155.9 Ų155.989%0.88779%0.789SS**  trans-159.999.9153.8-116.9158.3-171.7165.52.4115
607N30.7Very low31.4Very low134 Ų134152.3 Ų152.372%0.71778%0.78SS**  trans156.2147.3136.7-82.3-21000111
608R31.1Very low31.2Very low202 Ų202156 Ų15676%0.76279%0.788SS**  cis-167.8118.2-29.6-126.6177.6-172169.10.5107.3
609N31Very low31Very low152 Ų152154.4 Ų154.481%0.81379%0.789SS**  trans67.6163177.3-36.6-46.5000113.5
610R29.3Very low30.8Very low227 Ų227157.8 Ų157.886%0.85780%0.8SS**  cis-153.4136.63.3-151.2-174.5-167.8-172.13.2111.2
611S31.8Very low30.5Very low112 Ų112154.9 Ų154.978%0.78379%0.793SS**  trans41.8121.3149.959.10000122.8
612G29.5Very low30.4Very low69 Ų69153.6 Ų153.671%0.71178%0.781SS**  trans149.5117.5145.100000116.4
613L33.2Very low30.3Very low169 Ų169156.2 Ų156.289%0.88579%0.794SS**  trans59.6152169.1-83.373.4000117.1
614D32.8Very low30.4Very low124 Ų124149.1 Ų149.166%0.66377%0.771SS**  cis-146.5-174.2-27.9-149.6-20.4000109.6
615Q34Very low30.2Very low166 Ų166156.1 Ų156.178%0.77678%0.783SS**  trans-69.3124.4-172.1-62.8145.686.500113.6
616D32.7Very low30.2Very low146 Ų146156.2 Ų156.278%0.78178%0.778SS**  -175167.7108.4-115.1-26000115.2
617N31.7Very low30.2Very low142 Ų142151.2 Ų151.276%0.75977%0.769SS**  trans61.580.5166.9-68.9-56.9000118.8S619N617-S619 PolarHBondContact O-N 3.13Å
618R30.1Very low30.1Very low255 Ų255151.2 Ų151.296%0.96277%0.773SS**  trans-62117.8161.8-65.3173.2171.9-178.3-3.3112.2
619S30.5Very low30Very low110 Ų110148.1 Ų148.177%0.76977%0.766SS**  trans-167.135.1154.841.20000115.8N617 S621N617-S619 PolarHBondContact O-N 3.13Å; S619-S621 PolarHBondContact O-N 3.01Å; S619-S621 VanDerWaalsContact O-N 3.1Å
620L28.8Very low30.1Very low180 Ų180145.6 Ų145.694%0.94276%0.759SS**  trans-82.776.5171.5-83.3172.4000112.7
621S27Very low30.3Very low106 Ų106142.4 Ų142.474%0.74175%0.749SS**  trans-175.4101.1152.7-86.50000111.4S619S619-S621 PolarHBondContact O-N 3.01Å; S619-S621 VanDerWaalsContact O-N 3.1Å
622F30Very low30.5Very low146 Ų146141.2 Ų141.264%0.6474%0.741SS**  trans-140.988.7159.3-101.8-66000110.6I624F622-I624 VanDerWaalsContact C-N 3.26Å; F622-I624 HydrophobicContact CB-CD1 4.15Å; F622-I624 HydrophobicContact CB-CG1 4.06Å; F622-I624 HydrophobicContact CD1-CD1 3.88Å; F622-I624 HydrophobicContact CD1-CG1 3.76Å; F622-I624 HydrophobicContact CG-CD1 4.16Å; F622-I624 HydrophobicContact CG-CG1 4.26Å; F622-I624 PolarHBondContact O-N 3.26Å
623L27.7Very low30.9Very low177 Ų177142.5 Ų142.593%0.92773%0.726SS**  trans-62.792.1155.9-76.3168.1000107.9
624I31Very low31.1Very low94 Ų94139 Ų13948%0.48271%0.709SS.*  trans-104.894.6169.5-63177.9000107.7F622 N626F622-I624 VanDerWaalsContact C-N 3.26Å; F622-I624 HydrophobicContact CB-CD1 4.15Å; F622-I624 HydrophobicContact CB-CG1 4.06Å; F622-I624 HydrophobicContact CD1-CD1 3.88Å; F622-I624 HydrophobicContact CD1-CG1 3.76Å; F622-I624 HydrophobicContact CG-CD1 4.16Å; F622-I624 HydrophobicContact CG-CG1 4.26Å; F622-I624 PolarHBondContact O-N 3.26Å; I624-N626 VanDerWaalsContact CG2-ND2 3.26Å; I624-N626 WeakPolarHBondContact CG2-ND2 3.26Å; I624-N626 PolarHBondContact O-N 3.33Å
625W24.9Very low31.1Very low198 Ų198138.6 Ų138.675%0.7571%0.713SS**  trans-50.4124.9147.6-79.118.1000108
626N28.2Very low31.2Very low136 Ų136134.3 Ų134.373%0.72770%0.701SS**  trans-123.2129.3154.6-89.9-58.7000106.4I624 V628I624-N626 VanDerWaalsContact CG2-ND2 3.26Å; I624-N626 WeakPolarHBondContact CG2-ND2 3.26Å; I624-N626 PolarHBondContact O-N 3.33Å; N626-V628 PolarHBondContact O-N 2.87Å
627D27.7Very low31.3Very low131 Ų131132.9 Ų132.970%0.70169%0.688SS**  trans-61.5122.1-173-67.8-71.1000112K629D627-K629 HydrophobicContact CB-CB 4.49Å; D627-K629 HydrophobicContact CB-CG 4.28Å; D627-K629 PolarHBondContact O-N 3.16Å
628V28.4Very low31.2Very low133 Ų133133.1 Ų133.181%0.80669%0.688SS**  trans-75.268.7163.7-173.30000108.3N626N626-V628 PolarHBondContact O-N 2.87Å
629K29.4Very low31.1Very low138 Ų138129.2 Ų129.260%0.668%0.678SS**  trans-101.362.1167.2-79.7-168174.4-168.80109.9D627D627-K629 HydrophobicContact CB-CB 4.49Å; D627-K629 HydrophobicContact CB-CG 4.28Å; D627-K629 PolarHBondContact O-N 3.16Å
630S33.5Very low31Very low98 Ų98129.7 Ų129.769%0.68567%0.672SS**  trans-116.166.7169.2590000109.5S632S630-S632 PolarHBondContact O-N 3.49Å
631Y33.9Very low31.1Very low160 Ų160127.3 Ų127.363%0.62767%0.668SS**  trans-62.6124.7167-77.8-84.8000108.7
632S34.5Very low31.2Very low88 Ų88127 Ų12762%0.61566%0.661SS**  trans-74.8134.9175.8-162.40000109.6S630 D634S630-S632 PolarHBondContact O-N 3.49Å; S632-D634 PolarHBondContact O-N 3.37Å
633K38.2Very low31.2Very low95 Ų95126.9 Ų126.941%0.41367%0.667SS.*SBendtrans-81.640.8168.3-65.4-163.9177-168.70110.9T555 E556 L557T555-K633 WeakPolarHBondContact O-CE 3.16Å; T555-K633 PolarHBondContact O-NZ 2.85Å; E556-K633 IonicContact OE2-NZ 2.72Å; E556-K633 PolarHBondContact OE2-NZ 2.93Å; L557-K633 HydrophobicContact CD1-CD 4.16Å; L557-K633 HydrophobicContact CD1-CG 4.13Å
634D37.9Very low31.4Very low97 Ų97125 Ų12552%0.51966%0.658SS.*  trans-146.5109.5179.5-76.5-60.8000108.5S632 S636S632-D634 PolarHBondContact O-N 3.37Å; D634-S636 PolarHBondContact O-N 3.49Å
635P32.3Very low31.6Very low115 Ų115127.9 Ų127.975%0.74767%0.674SS**THydrogen-bonded Turntrans-69.6-8.2176.5-21.334.2000114.5
636S37.1Very low32.2Very low75 Ų75125.9 Ų125.952%0.52468%0.678SS.*THydrogen-bonded Turntrans-91.4-1.9-160.946.90000116.1D634D634-S636 PolarHBondContact O-N 3.49Å
637F34.8Very low32.6Very low116 Ų116127.5 Ų127.551%0.50968%0.681SS.*  trans-136.868.4-175.3-70.1-69.6000115.2
638I29.8Very low33.1Very low147 Ų147125.9 Ų125.975%0.75467%0.671SS**  trans-87.7127.2154.3-64.1179.9000108.4N640I638-N640 PolarHBondContact O-N 2.92Å
639F27.9Very low33.5Very low174 Ų174125.1 Ų125.176%0.76366%0.663SS**  trans-75.3101.1169.2-106.5-97.7000108.8P641F639-P641 WeakPolarHBondContact O-CD 3.36Å
640N29Very low34Very low119 Ų119126.6 Ų126.664%0.63667%0.669SS**  trans-82.2122.5167.6-102.7-6.1000109.9I638 T642I638-N640 PolarHBondContact O-N 2.92Å; N640-T642 VanDerWaalsContact C-N 3.27Å; N640-T642 HydrophobicContact CB-CG2 4.31Å; N640-T642 PolarHBondContact O-N 3.04Å
641P29.4Very low34.3Very low131 Ų131129.7 Ų129.785%0.85167%0.672SS**  trans-80.475173.233.2-34000110.7F639F639-P641 WeakPolarHBondContact O-CD 3.36Å
642T30.2Very low34.4Very low98 Ų98128.1 Ų128.160%0.60167%0.674SS**  trans-116.8129.3176.149.20000108.4N640N640-T642 VanDerWaalsContact C-N 3.27Å; N640-T642 HydrophobicContact CB-CG2 4.31Å; N640-T642 PolarHBondContact O-N 3.04Å
643N30.3Very low34.6Very low144 Ų144132.9 Ų132.977%0.7769%0.686SS**SBendcis-131.6148.920.9-56.6-55.7000112.8
644N31.7Very low34.5Very low139 Ų139135 Ų13574%0.74370%0.701SS**SBendtrans165.4-14.5138.4-91.1-1.2000114.6N646N644-N646 PolarHBondContact O-N 3.37Å
645L34Very low34.4Very low154 Ų154138.9 Ų138.981%0.80672%0.716SS**THydrogen-bonded Turntrans-79.2-10.7-172.1-79164.9000115.9
646N37.3Very low34.6Very low155 Ų155138.2 Ų138.283%0.82971%0.714SS**THydrogen-bonded Turntrans-98.12.9-173.1-74-0.3000115.3N644N644-N646 PolarHBondContact O-N 3.37Å
647E38.4Very low34.4Very low171 Ų171140.9 Ų140.980%0.79973%0.73SS**SBendtrans-100.4-11.3179.5-164.3151.1-137.800113.5
648I36.3Very low34.5Very low97 Ų97143.8 Ų143.850%0.49775%0.745SS.*SBendtrans-91.5-38-176.5-68.3174000112.7K650 H651 W666I648-K650 VanDerWaalsContact C-N 3.26Å; I648-K650 PolarHBondContact O-N 2.99Å; I648-H651 PolarHBondContact O-N 3.07Å; I648-W666 HydrophobicContact CD1-CH2 4.43Å; I648-W666 HydrophobicContact CG2-CH2 4.05Å
649D37.1Very low34.8Very low117 Ų117146.5 Ų146.563%0.62675%0.754SS**G310 helixtrans-84.38.9-169.4-146.128.9000115H651D649-H651 VanDerWaalsContact C-N 3.3Å
650K40.7Very low35.2Very low169 Ų169145.3 Ų145.374%0.73575%0.754SS**G310 helixtrans-82.9-2.7167.7-92.2171.7-178148.30114I648I648-K650 VanDerWaalsContact C-N 3.26Å; I648-K650 PolarHBondContact O-N 2.99Å
651H38.9Very low35.4Very low163 Ų163143.1 Ų143.176%0.75575%0.748SS**G310 helixtrans-103.83.7174.6-94.5-73.7000114.9I648 D649I648-H651 PolarHBondContact O-N 3.07Å; D649-H651 VanDerWaalsContact C-N 3.3Å
652L36.2Very low35.9Very low126 Ų126143.8 Ų143.866%0.6675%0.745SS**  trans-115.428.7-177.7-72.4172.8000115.1I654L652-I654 PolarHBondContact O-N 3.44Å
653Q39Very low36Very low188 Ų188149.4 Ų149.488%0.87976%0.756SS**  trans-86.259.1155.6-69.1-166.48.400111.4
654I36.4Very low36.2Very low139 Ų139147.7 Ų147.771%0.71376%0.756SS**  trans-102.6111.1168.3-62.6-176.9000108.8L652L652-I654 PolarHBondContact O-N 3.44Å
655Q35.6Very low36.7Very low179 Ų179144 Ų14484%0.83674%0.741SS**  trans-75.3142.9173.7-60175.91.800109.8
656S36.6Very low36.9Very low101 Ų101145.7 Ų145.771%0.70674%0.737SS**SBendtrans64.5119.3177.174.30000116.9Q658S656-Q658 PolarHBondContact O-N 2.91Å
657P33.7Very low37.1Very low132 Ų132141.9 Ų141.986%0.85772%0.722SS**SBendtrans-9590.4179.135.1-32000112.2
658Q37.1Very low37.2Very low176 Ų176140.2 Ų140.282%0.82271%0.714SS**  trans-134.9-15.8169.5-72.6-152.1-67.500116.9S656 I660S656-Q658 PolarHBondContact O-N 2.91Å; Q658-I660 PolarHBondContact O-N 3.16Å
659E35.4Very low37.1Very low204 Ų204145.5 Ų145.595%0.95373%0.73SS**  trans-92.998.1177.7-63.1-163.4156.300111.4
660I36.2Very low37.4Very low150 Ų150144.8 Ų144.877%0.76973%0.73SS**  trans-89.1158.2178.7-69.1172.2000109.8Q658Q658-I660 PolarHBondContact O-N 3.16Å
661S33Very low37.7Very low72 Ų72139.8 Ų139.850%0.50371%0.713SS.*  trans60.4100.9168.1530000116.9
662N38.9Very low37.8Very low145 Ų145137.4 Ų137.478%0.77571%0.706SS**  trans-173.1-11.8134.7-96.3-18.7000114.8
663Y33.1Very low38.1Very low216 Ų216137.5 Ų137.585%0.84771%0.712SS**  trans-91.7102.7175-88.4-92.2000112.7
664S35.1Very low38.3Very low108 Ų108136.8 Ų136.876%0.75571%0.71SS**  trans-103.55-178.454.60000114.9
665S42.4Very low38.6Very low62 Ų62137.1 Ų137.143%0.43471%0.707SS.*G310 helixtrans-87.6-15.2-166.950.50000116.6S667S665-S667 VanDerWaalsContact C-N 3.33Å; S665-S667 PolarHBondContact O-N 3.18Å
666W36.9Very low38.7Very low189 Ų189136 Ų13672%0.71671%0.707SS**G310 helixtrans-78.3-5.8-170.7-94.871.3000116.1I648I648-W666 HydrophobicContact CD1-CH2 4.43Å; I648-W666 HydrophobicContact CG2-CH2 4.05Å
667S42.1Very low38.9Very low76 Ų76137 Ų13753%0.53171%0.708SS.*G310 helixtrans-83.3-17.3176.658.50000114.2S665 T671S665-S667 VanDerWaalsContact C-N 3.33Å; S665-S667 PolarHBondContact O-N 3.18Å; S667-T671 WeakPolarHBondContact O-CG2 3.4Å; S667-T671 PolarHBondContact O-OG1 2.89Å
668Q40.8Very low39Very low135 Ų135137.4 Ų137.463%0.63170%0.703SS**SBendtrans-85.1-29.1-172.9-66.4179.4-1700113.3T671 N672Q668-T671 PolarHBondContact O-OG1 3.24Å; Q668-T671 VanDerWaalsContact O-OG1 3.07Å; Q668-N672 PolarHBondContact O-OD1 3.43Å
669Y34.5Very low39.1Very low209 Ų209133.9 Ų133.982%0.8269%0.693SS**SBendtrans-75.3-26.1-174.8-147.2-94.1000113.3
670T43.6Very low39Very low102 Ų102129.9 Ų129.963%0.62668%0.683SS**SBendtrans-91.2-16.5-179.453.10000113.6
671T45.2Very low39.1Very low64 Ų64133.6 Ų133.639%0.39369%0.687SS.*SBendtrans-85-11.118049.20000114.7S667 Q668S667-T671 WeakPolarHBondContact O-CG2 3.4Å; S667-T671 PolarHBondContact O-OG1 2.89Å; Q668-T671 PolarHBondContact O-OG1 3.24Å; Q668-T671 VanDerWaalsContact O-OG1 3.07Å
672N42.4Very low39Very low112 Ų112137.6 Ų137.660%0.59970%0.698SS**SBendtrans-99.73.1-170.3-65.33.2000113.9Q668Q668-N672 PolarHBondContact O-OD1 3.43Å
673V42.2Very low38.9Very low128 Ų128135.7 Ų135.778%0.77669%0.693SS**SBendtrans-111.212.1178.2-165.60000111.6
674M43.4Very low39Very low174 Ų174133.4 Ų133.486%0.85769%0.694SS**SBendtrans-135.420.9-174.7-78.7-169.9150.800114.2
675K42.5Very low39.2Very low146 Ų146135 Ų13564%0.63569%0.694SS**SBendtrans-112.2-23.6-175.9-73-174.4176-179.30116V677K675-V677 VanDerWaalsContact C-N 3.28Å; K675-V677 PolarHBondContact O-N 2.93Å; K675-V677 VanDerWaalsContact O-N 3.1Å
676D37.4Very low39Very low156 Ų156137.1 Ų137.183%0.83471%0.709SS**  trans-92.645.1-170.9-55.5-15000113.1
677V40.1Very low39.1Very low121 Ų121135.7 Ų135.773%0.73371%0.714SS**  trans-135.776.5175.1-171.50000109.9K675 V679K675-V677 VanDerWaalsContact C-N 3.28Å; K675-V677 PolarHBondContact O-N 2.93Å; K675-V677 VanDerWaalsContact O-N 3.1Å; V677-V679 HydrophobicContact CG1-CG2 4.2Å; V677-V679 PolarHBondContact O-N 3.19Å
678D35.7Very low38.8Very low140 Ų140141.8 Ų141.875%0.74973%0.734SS**  trans-63.999.4169.5-79.6-42.3000110.8
679V40Very low38.8Very low103 Ų103140.5 Ų140.562%0.62474%0.739SS**  trans-102.198.2159.2-178.50000107.6V677 R681V677-V679 HydrophobicContact CG1-CG2 4.2Å; V677-V679 PolarHBondContact O-N 3.19Å; V679-R681 HydrophobicContact CG1-CG 4.14Å; V679-R681 PolarHBondContact O-N 2.95Å
680T33.2Very low38.9Very low120 Ų120139.7 Ų139.774%0.73674%0.743SS**  trans-59.797.1169.542.70000110E682T680-E682 PolarHBondContact O-N 3.33Å
681R37.5Very low38.8Very low227 Ų227141.4 Ų141.486%0.85775%0.753SS**  trans-92.785.4170.5-75.9-169.2170.8-165.6-2.6109.8V679V679-R681 HydrophobicContact CG1-CG 4.14Å; V679-R681 PolarHBondContact O-N 2.95Å
682E32.8Very low38.3Very low156 Ų156147.8 Ų147.873%0.72978%0.776SS**  trans-58.5135.5159.8-70.4-58.6147.700109.9T680 I684T680-E682 PolarHBondContact O-N 3.33Å; E682-I684 PolarHBondContact O-N 3.4Å
683P36.8Very low38.2Very low105 Ų105150.5 Ų150.568%0.68279%0.788SS**  trans-78101.7179.430.5-32.6000110.7D685P683-D685 VanDerWaalsContact C-N 3.3Å; P683-D685 PolarHBondContact O-N 2.76Å
684I34.7Very low38.2Very low169 Ų169149.3 Ų149.387%0.86779%0.786SS**  trans-80.480.3172.8-52.3178.7000109.5E682E682-I684 PolarHBondContact O-N 3.4Å
685D38.1Very low38.2Very low140 Ų140150.6 Ų150.675%0.74979%0.786SS**  trans-94.6148.5160.6-86.9-50.1000110.1P683P683-D685 VanDerWaalsContact C-N 3.3Å; P683-D685 PolarHBondContact O-N 2.76Å
686S39.7Very low38.1Very low108 Ų108150.2 Ų150.276%0.75579%0.791SS**  trans71.498.9-175.2-43.80000116.3
687I37.6Very low38.2Very low158 Ų158148.5 Ų148.581%0.8179%0.791SS**  -171.8125.2107.3-90.2152.1000108.4
688H36.8Very low38.5Very low204 Ų204148.4 Ų148.494%0.94479%0.786SS**  trans-117.5117.1176.5-126.4-88.9000108.1
689S39.7Very low38.9Very low108 Ų108147.4 Ų147.476%0.75579%0.787SS**  trans-157.6153.2166.658.20000111.1
690E37.3Very low39.1Very low193 Ų193150.2 Ų150.290%0.90280%0.798SS**  trans-93.1135.1-158.8-53.9179.6116.600114.5
691V41.2Very low39.4Very low137 Ų137151.8 Ų151.883%0.8380%0.802SS**  trans-137.2131.2155.5-175.80000110I693V691-I693 PolarHBondContact O-N 3.02Å
692K35.5Very low40.3Very low199 Ų199146.7 Ų146.787%0.86579%0.791SS**  trans-72.2111.2-176.6-69.4170.1179167.40112.1S694K692-S694 PolarHBondContact O-N 3.01Å
693I39.1Very low40.7Very low168 Ų168144.4 Ų144.486%0.86279%0.789SS**  trans-8888.4170.5-55.9-178.7000110.3V691V691-I693 PolarHBondContact O-N 3.02Å
694S42.8Very low41Very low103 Ų103146.8 Ų146.872%0.7280%0.796SS**  trans-90.1108.2171.158.80000111.9K692K692-S694 PolarHBondContact O-N 3.01Å
695K43.2Very low41.8Very low201 Ų201141 Ų14187%0.87477%0.77SS**  trans55.788.8161.6-58.7177-178.9174.70117.2
696L40.7Very low42.3Very low139 Ų139140 Ų14073%0.72877%0.77SS**  trans-141.391.3146-16168.8000112.1N698L696-N698 VanDerWaalsContact C-N 3.26Å; L696-N698 WeakPolarHBondContact CD2-ND2 3.33Å; L696-N698 PolarHBondContact O-N 3.49Å
697S40.2Very low42.9Very low119 Ų119146 Ų14683%0.83278%0.776SS**  trans-78.569.5178.5600000111.8P699S697-P699 WeakPolarHBondContact O-CD 3.45Å
698N45.8Very low43.8Very low119 Ų119144.7 Ų144.764%0.63676%0.761SS**  trans-80.5115168.9-77.8-17.3000109.2L696 L700L696-N698 VanDerWaalsContact C-N 3.26Å; L696-N698 WeakPolarHBondContact CD2-ND2 3.33Å; L696-N698 PolarHBondContact O-N 3.49Å; N698-L700 PolarHBondContact O-N 3.17Å
699P44.3Very low45Very low119 Ų119140.7 Ų140.777%0.77376%0.756SS**  trans-65.7126.3176.927.5-33.3000109.4S697 N701S697-P699 WeakPolarHBondContact O-CD 3.45Å; P699-N701 PolarHBondContact O-N 2.86Å
700L43.9Very low47Very low162 Ų162138.2 Ų138.285%0.84875%0.747SS**  trans-55.8123.2-177.3-71172.9000110.6N698 I702N698-L700 PolarHBondContact O-N 3.17Å; L700-I702 VanDerWaalsContact C-N 3.26Å; L700-I702 PolarHBondContact O-N 3.22Å
701N40.6Very low49.5Very low154 Ų154132 Ų13282%0.82472%0.718SS**  trans-75.378.1-179.9-17618000109.6P699 P703P699-N701 PolarHBondContact O-N 2.86Å; N701-P703 WeakPolarHBondContact O-CD 3.24Å; N701-P703 VanDerWaalsContact O-N 3.16Å
702I55.5Low52.1Low120 Ų120130.8 Ų130.862%0.61570%0.702SS**  trans-60115.7175.8-55.9173.8000107.9L700 N704L700-I702 VanDerWaalsContact C-N 3.26Å; L700-I702 PolarHBondContact O-N 3.22Å; I702-N704 WeakPolarHBondContact CG2-OD1 3.18Å; I702-N704 PolarHBondContact O-N 3.1Å
703P42.2Very low55Low108 Ų108121.3 Ų121.370%0.70166%0.661SS**  trans-75.283.4175.732-32.8000108.5N701 S705N701-P703 WeakPolarHBondContact O-CD 3.24Å; N701-P703 VanDerWaalsContact O-N 3.16Å; P703-S705 PolarHBondContact O-N 3.14Å
704N41.6Very low57.7Low154 Ų154116.1 Ų116.182%0.82464%0.637SS**  trans-72.353.1170.5-91.17.3000111.6I702I702-N704 WeakPolarHBondContact CG2-OD1 3.18Å; I702-N704 PolarHBondContact O-N 3.1Å
705S51.3Low60.2Low47 Ų47112.5 Ų112.533%0.32961%0.61SS.*  trans-140.1100.8156.7-177.40000104.4P703 R707P703-S705 PolarHBondContact O-N 3.14Å; S705-R707 PolarHBondContact O-N 2.89Å
706T48.8Very low62.8Low121 Ų121103.4 Ų103.474%0.74257%0.571SS**  trans-52.5113153.537.10000105.2R708T706-R708 PolarHBondContact O-N 3.37Å
707R52Low65.3Low233 Ų233102.3 Ų102.388%0.87957%0.566SS**  trans-65.591.5-175.8-62.8-170.4-162.4-176.27.9107.7S705 S709S705-R707 PolarHBondContact O-N 2.89Å; R707-S709 PolarHBondContact O-N 3.43Å
708R56.4Low67.9Low131 Ų13197.7 Ų97.749%0.49453%0.533SS..  trans-69.177.4164.9-66.6-179.4176.4-177.4-3.3106.7T706 G710 Q711T706-R708 PolarHBondContact O-N 3.37Å; R708-G710 PolarHBondContact O-N 3.19Å; R708-Q711 HydrophobicContact CB-CG 3.94Å; R708-Q711 VanDerWaalsContact NH1-OE1 3.08Å; R708-Q711 PolarHBondContact O-N 2.88Å
709S62.4Low70.2Confident120 Ų12095.5 Ų95.584%0.83953%0.527SS*.THydrogen-bonded Turntrans-52.9109.1-177.342.50000109.4R707R707-S709 PolarHBondContact O-N 3.43Å
710G82.4Confident72.5Confident56 Ų5691.9 Ų91.958%0.57751%0.507SS*.THydrogen-bonded Turntrans119.6-13.5-174.600000115.5R708 F712R708-G710 PolarHBondContact O-N 3.19Å; G710-F712 WeakPolarHBondContact O-CD2 3.41Å
711Q89.9Confident74.8Confident62 Ų6285 Ų8529%0.2947%0.471SS..  trans-84.1119.3174.8-59.3-148.7-7300111.8R708 W724R708-Q711 HydrophobicContact CB-CG 3.94Å; R708-Q711 VanDerWaalsContact NH1-OE1 3.08Å; R708-Q711 PolarHBondContact O-N 2.88Å; Q711-W724 HydrophobicContact CB-CH2 4.22Å; Q711-W724 HydrophobicContact CB-CZ2 3.9Å; Q711-W724 VanDerWaalsContact O-CH2 3.31Å; Q711-W724 WeakPolarHBondContact O-CH2 3.33Å; Q711-W724 WeakPolarHBondContact O-CZ2 3.46Å
712F95.2Very high77.3Confident112 Ų11282.2 Ų82.249%0.49146%0.461SS..  trans-128.3151.6176.6-56.5-86.5000110.1G710G710-F712 WeakPolarHBondContact O-CD2 3.41Å
713C96.7Very high79.2Confident0 Ų080.6 Ų80.60%045%0.452CS..  trans-83.7112.6177.81710000111.8N715 C716 N717 T718 W724 P732 C734C713-N715 PolarHBondContact O-N 2.96Å; C713-C716 PolarHBondContact O-N 3.37Å; C713-N717 WeakPolarHBondContact O-CA 3.29Å; C713-N717 PolarHBondContact O-N 3.23Å; C713-N717 PolarHBondContact O-OD1 3.44Å; C713-T718 HydrophobicContact CB-CG2 3.79Å; C713-T718 PolarHBondContact N-O 2.83Å; C713-W724 HydrophobicContact CB-CZ3 4.12Å; C713-P732 WeakPolarHBondContact CA-O 3.21Å; C713-C734 HydrophobicContact CB-CB 3.8Å; C713-C734 PolarHBondContact SG-N 3.18Å
714T96.2Very high81.7Confident59 Ų5978.1 Ų78.136%0.36243%0.429SS..THydrogen-bonded Turntrans-57.4-29.8-173.661.10000114.8E731 P732T714-E731 WeakPolarHBondContact CB-OE2 3.48Å; T714-E731 HydrophobicContact CG2-CB 3.98Å; T714-E731 HydrophobicContact CG2-CG 4.38Å; T714-E731 WeakPolarHBondContact CG2-OE2 3.48Å; T714-E731 PolarHBondContact OG1-OE2 3.19Å; T714-P732 PolarHBondContact N-O 3.38Å; T714-P732 VanDerWaalsContact N-O 3.16Å
715N95.8Very high84.3Confident27 Ų2774.9 Ų74.914%0.14441%0.406CS..THydrogen-bonded Turntrans-82.2-18176.6165.1-105.8000116.2C713 C737 R748C713-N715 PolarHBondContact O-N 2.96Å; N715-C737 HydrophobicContact CB-CB 4.32Å; N715-C737 VanDerWaalsContact OD1-CB 3.28Å; N715-C737 WeakPolarHBondContact OD1-CB 3.48Å; N715-C737 PolarHBondContact OD1-SG 3.28Å; N715-R748 PolarHBondContact ND2-O 3.4Å; N715-R748 VanDerWaalsContact ND2-O 3.17Å; N715-R748 WeakPolarHBondContact OD1-CB 3.28Å; N715-R748 PolarHBondContact OD1-O 2.75Å
716C96Very high86.4Confident10 Ų1078.4 Ų78.47%0.06841%0.412CS..THydrogen-bonded Turntrans-149.98.1-176.979.80000116.4C713 T718 C737 K753C713-C716 PolarHBondContact O-N 3.37Å; C716-T718 PolarHBondContact O-N 2.98Å; C716-C737 PolarHBondContact SG-SG 3.43Å; C716-K753 PolarHBondContact O-NZ 3.4Å
717N95.1Very high88.5Confident115 Ų11574.6 Ų74.662%0.61539%0.387SS*.  trans52.527.8174.8-56.23.1000114.4C713C713-N717 WeakPolarHBondContact O-CA 3.29Å; C713-N717 PolarHBondContact O-N 3.23Å; C713-N717 PolarHBondContact O-OD1 3.44Å
718T93.6Very high90.5Very high22 Ų2268.9 Ų68.914%0.13538%0.378CS..  trans-76.6132.9167.5-1710000110.5C713 C716 A720 C734C713-T718 HydrophobicContact CB-CG2 3.79Å; C713-T718 PolarHBondContact N-O 2.83Å; C716-T718 PolarHBondContact O-N 2.98Å; T718-A720 WeakPolarHBondContact CG2-O 3.4Å; T718-A720 PolarHBondContact OG1-N 2.9Å; T718-A720 VanDerWaalsContact OG1-N 3.13Å; T718-A720 PolarHBondContact OG1-O 3.21Å; T718-C734 HydrophobicContact CG2-CB 3.53Å
719S94.3Very high92.3Very high73 Ų7369.7 Ų69.751%0.5139%0.387SS..SBendtrans-87.4-13.1166.754.60000112.6
720A92.2Very high93.7Very high43 Ų4365.2 Ų65.236%0.35536%0.36SS..  trans-110.8129.4-178.200000111.4T718 I757T718-A720 WeakPolarHBondContact CG2-O 3.4Å; T718-A720 PolarHBondContact OG1-N 2.9Å; T718-A720 VanDerWaalsContact OG1-N 3.13Å; T718-A720 PolarHBondContact OG1-O 3.21Å; A720-I757 HydrophobicContact CB-CD1 4.1Å
721T93.4Very high94.3Very high17 Ų1766.2 Ų66.210%0.10435%0.35CS..  trans-156.4163.1172.9-163.70000112.4L723 W724 C734 N735T721-L723 VanDerWaalsContact CG2-C 3.5Å; T721-L723 VanDerWaalsContact CG2-O 3.29Å; T721-L723 WeakPolarHBondContact CG2-O 3.43Å; T721-L723 PolarHBondContact OG1-O 2.91Å; T721-W724 HydrophobicContact CG2-CD2 3.61Å; T721-W724 HydrophobicContact CG2-CE3 4.04Å; T721-W724 HydrophobicContact CG2-CG 3.93Å; T721-W724 HydrophobicContact CG2-CH2 4.44Å; T721-W724 HydrophobicContact CG2-CZ2 4.06Å; T721-W724 HydrophobicContact CG2-CZ3 4.43Å; T721-C734 HydrophobicContact CG2-CB 4.26Å; T721-C734 WeakPolarHBondContact OG1-CB 3.41Å; T721-N735 PolarHBondContact OG1-N 3.33Å; T721-N735 VanDerWaalsContact OG1-N 3.13Å
722T92.6Very high94.6Very high97 Ų9765.2 Ų65.260%0.59535%0.349SS*.SBendtrans-81.7-18.6175.950.80000113.7N735 I757T722-N735 PolarHBondContact OG1-ND2 2.91Å; T722-I757 HydrophobicContact CG2-CG2 3.51Å
723L94.2Very high94.7Very high85 Ų8560.2 Ų60.245%0.44533%0.327SS..SBendtrans-162.3129.2178.8173.563.4000108.1T721 R725 N735T721-L723 VanDerWaalsContact CG2-C 3.5Å; T721-L723 VanDerWaalsContact CG2-O 3.29Å; T721-L723 WeakPolarHBondContact CG2-O 3.43Å; T721-L723 PolarHBondContact OG1-O 2.91Å; L723-R725 HydrophobicContact CD2-CG 4.49Å; L723-R725 HydrophobicContact CG-CG 4.47Å; L723-N735 HydrophobicContact CB-CB 4.04Å; L723-N735 WeakPolarHBondContact O-CA 3.23Å; L723-N735 WeakPolarHBondContact O-CB 3.44Å; L723-N735 PolarHBondContact O-N 3.23Å
724W95.5Very high94.7Very high57 Ų5760.3 Ų60.322%0.21633%0.328CS..EExtended strand (participates in β ladder)trans-79.1134.9166.4-68.2104.4000109.4Q711 C713 T721 P732Q711-W724 HydrophobicContact CB-CH2 4.22Å; Q711-W724 HydrophobicContact CB-CZ2 3.9Å; Q711-W724 VanDerWaalsContact O-CH2 3.31Å; Q711-W724 WeakPolarHBondContact O-CH2 3.33Å; Q711-W724 WeakPolarHBondContact O-CZ2 3.46Å; C713-W724 HydrophobicContact CB-CZ3 4.12Å; T721-W724 HydrophobicContact CG2-CD2 3.61Å; T721-W724 HydrophobicContact CG2-CE3 4.04Å; T721-W724 HydrophobicContact CG2-CG 3.93Å; T721-W724 HydrophobicContact CG2-CH2 4.44Å; T721-W724 HydrophobicContact CG2-CZ2 4.06Å; T721-W724 HydrophobicContact CG2-CZ3 4.43Å; W724-P732 HydrophobicContact CE3-CB 4.37Å
725R95.5Very high94.7Very high86 Ų8659 Ų5933%0.32532%0.319SS..EExtended strand (participates in β ladder)trans-118.8174.1173.3-66.8-177.9175.6-76.1-7.7108.6L723 V733 N735L723-R725 HydrophobicContact CD2-CG 4.49Å; L723-R725 HydrophobicContact CG-CG 4.47Å; R725-V733 HydrophobicContact CB-CG2 3.9Å; R725-V733 PolarHBondContact N-O 3.32Å; R725-V733 PolarHBondContact O-N 2.72Å; R725-N735 PolarHBondContact NE-OD1 3.26Å; R725-N735 PolarHBondContact NH2-OD1 3.37Å
726R95.5Very high94.8Very high121 Ų12159.8 Ų59.846%0.45733%0.329SS..EExtended strand (participates in β ladder)trans-114.8156.4164.7-65.5176.7-173.1-95.311.2111.4G730 E731R726-G730 VanDerWaalsContact CD-O 3.32Å; R726-G730 WeakPolarHBondContact CD-O 3.36Å; R726-G730 WeakPolarHBondContact CG-O 3.49Å; R726-G730 PolarHBondContact NH1-O 2.89Å; R726-E731 WeakPolarHBondContact CA-O 3.43Å
727N94.2Very high94.8Very high41 Ų4159.5 Ų59.522%0.21933%0.327CS..  trans-87.6-174.216574.3-7.2000110.2E729 G730 E731 V733N727-E729 PolarHBondContact ND2-OE2 3.2Å; N727-E729 PolarHBondContact O-N 3.12Å; N727-E729 WeakPolarHBondContact OD1-CA 3.5Å; N727-E729 WeakPolarHBondContact OD1-CB 3.42Å; N727-E729 PolarHBondContact OD1-N 3.05Å; N727-G730 PolarHBondContact O-N 2.95Å; N727-G730 VanDerWaalsContact O-N 3.13Å; N727-G730 PolarHBondContact OD1-N 3.37Å; N727-E731 PolarHBondContact N-O 3.31Å; N727-E731 VanDerWaalsContact N-O 3.14Å; N727-E731 PolarHBondContact ND2-OE2 3.43Å; N727-E731 WeakPolarHBondContact OD1-CB 3.44Å; N727-E731 PolarHBondContact OD1-N 3.35Å; N727-V733 HydrophobicContact CB-CG1 4.16Å
728T92.8Very high94.9Very high113 Ų11354.7 Ų54.769%0.69331%0.305SS*.THydrogen-bonded Turntrans-64.8-23.3176.838.50000114.2G730T728-G730 VanDerWaalsContact C-N 3.33Å
729E94.1Very high95Very high147 Ų14757.6 Ų57.669%0.68732%0.319SS*.THydrogen-bonded Turntrans-87.7-2.1175.5-61.4130.6-157.300112.4N727 E731N727-E729 PolarHBondContact ND2-OE2 3.2Å; N727-E729 PolarHBondContact O-N 3.12Å; N727-E729 WeakPolarHBondContact OD1-CA 3.5Å; N727-E729 WeakPolarHBondContact OD1-CB 3.42Å; N727-E729 PolarHBondContact OD1-N 3.05Å; E729-E731 HydrophobicContact CB-CG 4.29Å
730G93.3Very high95.2Very high27 Ų2756 Ų5628%0.27830%0.302SS..  trans84.7-1.5-177.300000115.2R726 N727 T728R726-G730 VanDerWaalsContact CD-O 3.32Å; R726-G730 WeakPolarHBondContact CD-O 3.36Å; R726-G730 WeakPolarHBondContact CG-O 3.49Å; R726-G730 PolarHBondContact NH1-O 2.89Å; N727-G730 PolarHBondContact O-N 2.95Å; N727-G730 VanDerWaalsContact O-N 3.13Å; N727-G730 PolarHBondContact OD1-N 3.37Å; T728-G730 VanDerWaalsContact C-N 3.33Å
731E94.6Very high95.4Very high77 Ų7757.9 Ų57.936%0.3630%0.301SS..  trans-64.1148.1-179.9-60.9-162.112700113.4T714 R726 N727 E729 V733T714-E731 WeakPolarHBondContact CB-OE2 3.48Å; T714-E731 HydrophobicContact CG2-CB 3.98Å; T714-E731 HydrophobicContact CG2-CG 4.38Å; T714-E731 WeakPolarHBondContact CG2-OE2 3.48Å; T714-E731 PolarHBondContact OG1-OE2 3.19Å; R726-E731 WeakPolarHBondContact CA-O 3.43Å; N727-E731 PolarHBondContact N-O 3.31Å; N727-E731 VanDerWaalsContact N-O 3.14Å; N727-E731 PolarHBondContact ND2-OE2 3.43Å; N727-E731 WeakPolarHBondContact OD1-CB 3.44Å; N727-E731 PolarHBondContact OD1-N 3.35Å; E729-E731 HydrophobicContact CB-CG 4.29Å; E731-V733 PolarHBondContact O-N 2.96Å
732P96.5Very high95.5Very high40 Ų4063.7 Ų63.726%0.2633%0.325SS..EExtended strand (participates in β ladder)trans-69.8119.3174.729.5-34.1000112.4C713 T714 W724C713-P732 WeakPolarHBondContact CA-O 3.21Å; T714-P732 PolarHBondContact N-O 3.38Å; T714-P732 VanDerWaalsContact N-O 3.16Å; W724-P732 HydrophobicContact CE3-CB 4.37Å
733V97Very high95.7Very high7 Ų765.3 Ų65.34%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-123.1147.7171.8-58.20000111.6R725 N727 E731R725-V733 HydrophobicContact CB-CG2 3.9Å; R725-V733 PolarHBondContact N-O 3.32Å; R725-V733 PolarHBondContact O-N 2.72Å; N727-V733 HydrophobicContact CB-CG1 4.16Å; E731-V733 PolarHBondContact O-N 2.96Å
734C97.1Very high95.8Very high3 Ų365.9 Ų65.92%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-71.4156.2178.4820000111.4C713 T718 T721 A736 C737 G738C713-C734 HydrophobicContact CB-CB 3.8Å; C713-C734 PolarHBondContact SG-N 3.18Å; T718-C734 HydrophobicContact CG2-CB 3.53Å; T721-C734 HydrophobicContact CG2-CB 4.26Å; T721-C734 WeakPolarHBondContact OG1-CB 3.41Å; C734-A736 PolarHBondContact O-N 3.3Å; C734-A736 VanDerWaalsContact O-N 3.07Å; C734-C737 PolarHBondContact O-N 2.91Å; C734-C737 PolarHBondContact SG-SG 3.5Å; C734-G738 PolarHBondContact O-N 3.45Å
735N96.8Very high95.8Very high30 Ų3070.7 Ų70.716%0.1635%0.351CS..Hα-helixtrans-48.8-41.8-179.2-166.318.5000113.1T721 T722 L723 R725 L739T721-N735 PolarHBondContact OG1-N 3.33Å; T721-N735 VanDerWaalsContact OG1-N 3.13Å; T722-N735 PolarHBondContact OG1-ND2 2.91Å; L723-N735 HydrophobicContact CB-CB 4.04Å; L723-N735 WeakPolarHBondContact O-CA 3.23Å; L723-N735 WeakPolarHBondContact O-CB 3.44Å; L723-N735 PolarHBondContact O-N 3.23Å; R725-N735 PolarHBondContact NE-OD1 3.26Å; R725-N735 PolarHBondContact NH2-OD1 3.37Å; N735-L739 VanDerWaalsContact O-CB 3.24Å; N735-L739 WeakPolarHBondContact O-CB 3.5Å; N735-L739 WeakPolarHBondContact O-CG 3.41Å; N735-L739 PolarHBondContact O-N 3.17Å; N735-L739 WeakPolarHBondContact OD1-CD1 3.5Å
736A96.1Very high95.7Very high45 Ų4571.4 Ų71.437%0.37236%0.36SS..Hα-helixtrans-69.9-34-178.100000113.3C734 Y740C734-A736 PolarHBondContact O-N 3.3Å; C734-A736 VanDerWaalsContact O-N 3.07Å; A736-Y740 VanDerWaalsContact O-CB 3.29Å; A736-Y740 WeakPolarHBondContact O-CB 3.13Å; A736-Y740 PolarHBondContact O-N 3.02Å
737C97.2Very high95.7Very high3 Ų370.6 Ų70.62%0.0237%0.365CS..Hα-helixtrans-78.7-46.2178.7-62.50000111.2N715 C716 C734 L739 Y740 Y741 R748N715-C737 HydrophobicContact CB-CB 4.32Å; N715-C737 VanDerWaalsContact OD1-CB 3.28Å; N715-C737 WeakPolarHBondContact OD1-CB 3.48Å; N715-C737 PolarHBondContact OD1-SG 3.28Å; C716-C737 PolarHBondContact SG-SG 3.43Å; C734-C737 PolarHBondContact O-N 2.91Å; C734-C737 PolarHBondContact SG-SG 3.5Å; C737-L739 VanDerWaalsContact C-N 3.32Å; C737-L739 PolarHBondContact O-N 3.44Å; C737-Y740 PolarHBondContact O-N 3.04Å; C737-Y740 VanDerWaalsContact O-N 3.16Å; C737-Y741 PolarHBondContact O-N 3.48Å; C737-R748 HydrophobicContact CB-CB 4.46Å; C737-R748 PolarHBondContact SG-NH1 3.44Å
738G96.6Very high95.9Very high14 Ų1470.2 Ų70.214%0.14436%0.361CS..Hα-helixtrans-63.5-34.5176.100000113.4C734 K742C734-G738 PolarHBondContact O-N 3.45Å; G738-K742 VanDerWaalsContact O-CB 3.31Å; G738-K742 WeakPolarHBondContact O-CB 3.2Å; G738-K742 PolarHBondContact O-N 3.02Å
739L96.4Very high96Very high83 Ų8367.2 Ų67.244%0.43534%0.343SS..Hα-helixtrans-69.2-40.1171.8-75.5173.6000112.7N735 C737 K742 L743N735-L739 VanDerWaalsContact O-CB 3.24Å; N735-L739 WeakPolarHBondContact O-CB 3.5Å; N735-L739 WeakPolarHBondContact O-CG 3.41Å; N735-L739 PolarHBondContact O-N 3.17Å; N735-L739 WeakPolarHBondContact OD1-CD1 3.5Å; C737-L739 VanDerWaalsContact C-N 3.32Å; C737-L739 PolarHBondContact O-N 3.44Å; L739-K742 PolarHBondContact O-N 3.29Å; L739-L743 WeakPolarHBondContact O-CB 3.48Å; L739-L743 PolarHBondContact O-N 3.19Å
740Y97.6Very high96Very high40 Ų4066 Ų6616%0.15734%0.34CS..Hα-helixtrans-65.5-46.4178.4-173-84.3000111.3A736 C737 K742 L743 H744 I746 R748 P749 M752A736-Y740 VanDerWaalsContact O-CB 3.29Å; A736-Y740 WeakPolarHBondContact O-CB 3.13Å; A736-Y740 PolarHBondContact O-N 3.02Å; C737-Y740 PolarHBondContact O-N 3.04Å; C737-Y740 VanDerWaalsContact O-N 3.16Å; Y740-K742 PolarHBondContact O-N 2.91Å; Y740-L743 PolarHBondContact O-N 2.78Å; Y740-H744 HydrophobicContact CD1-CB 4.5Å; Y740-H744 AromaticContact CD2-CD2 3.55Å; Y740-H744 HydrophobicContact CE1-CB 4.25Å; Y740-H744 AromaticContact CE2-CD2 3.48Å; Y740-H744 VanDerWaalsContact CE2-CD2 3.48Å; Y740-H744 WeakPolarHBondContact CE2-CD2 3.43Å; Y740-H744 AromaticContact CE2-NE2 3.84Å; Y740-H744 AromaticContact CG-CD2 3.85Å; Y740-H744 AromaticContact CZ-CD2 3.74Å; Y740-H744 PolarHBondContact O-N 3.11Å; Y740-I746 WeakPolarHBondContact CD1-O 3.28Å; Y740-I746 HydrophobicContact CE1-CD1 4.08Å; Y740-I746 HydrophobicContact CE1-CG1 3.96Å; Y740-R748 HydrophobicContact CD1-CB 3.63Å; Y740-R748 HydrophobicContact CD1-CG 4.16Å; Y740-R748 HydrophobicContact CD2-CG 4.18Å; Y740-R748 HydrophobicContact CE1-CB 4.24Å; Y740-R748 HydrophobicContact CG-CB 3.77Å; Y740-R748 HydrophobicContact CG-CG 3.93Å; Y740-P749 WeakPolarHBondContact OH-CD 3.27Å; Y740-M752 HydrophobicContact CE2-CE 3.99Å; Y740-M752 HydrophobicContact CE2-SD 3.68Å
741Y97Very high96.1Very high82 Ų8270 Ų7032%0.32236%0.364SS..Hα-helixtrans-61-42.9174.7-175.5-93000111.9C737 L743 K745 I746C737-Y741 PolarHBondContact O-N 3.48Å; Y741-L743 VanDerWaalsContact C-N 3.29Å; Y741-L743 PolarHBondContact O-N 3.18Å; Y741-K745 WeakPolarHBondContact CE2-O 3.43Å; Y741-K745 WeakPolarHBondContact O-CA 3.43Å; Y741-K745 PolarHBondContact O-N 2.9Å; Y741-I746 WeakPolarHBondContact CA-O 3.4Å
742K95.4Very high95.9Very high140 Ų14071 Ų7161%0.60937%0.37SS*.Hα-helixtrans-62.3-34.3176.5-176.1161.6-176.1160.20113.2G738 L739 Y740G738-K742 VanDerWaalsContact O-CB 3.31Å; G738-K742 WeakPolarHBondContact O-CB 3.2Å; G738-K742 PolarHBondContact O-N 3.02Å; L739-K742 PolarHBondContact O-N 3.29Å; Y740-K742 PolarHBondContact O-N 2.91Å
743L96.1Very high95.7Very high131 Ų13172.1 Ų72.169%0.68637%0.371SS*.Hα-helixtrans-83.9-41.7-178.5-178.360.5000113.5L739 Y740 Y741L739-L743 WeakPolarHBondContact O-CB 3.48Å; L739-L743 PolarHBondContact O-N 3.19Å; Y740-L743 PolarHBondContact O-N 2.78Å; Y741-L743 VanDerWaalsContact C-N 3.29Å; Y741-L743 PolarHBondContact O-N 3.18Å
744H96.3Very high95.2Very high96 Ų9678 Ų7844%0.44440%0.395SS..Hα-helixtrans-109.1-6.4-171-61.3-69.8000114.4Y740 I746Y740-H744 HydrophobicContact CD1-CB 4.5Å; Y740-H744 AromaticContact CD2-CD2 3.55Å; Y740-H744 HydrophobicContact CE1-CB 4.25Å; Y740-H744 AromaticContact CE2-CD2 3.48Å; Y740-H744 VanDerWaalsContact CE2-CD2 3.48Å; Y740-H744 WeakPolarHBondContact CE2-CD2 3.43Å; Y740-H744 AromaticContact CE2-NE2 3.84Å; Y740-H744 AromaticContact CG-CD2 3.85Å; Y740-H744 AromaticContact CZ-CD2 3.74Å; Y740-H744 PolarHBondContact O-N 3.11Å; H744-I746 HydrophobicContact CB-CG1 3.74Å; H744-I746 PolarHBondContact O-N 2.93Å
745K95.1Very high94.6Very high158 Ų15885.1 Ų85.169%0.68743%0.429SS*.SBendtrans59.71.5-174.8-55.2-64.7-173.4160.50115.8Y741Y741-K745 WeakPolarHBondContact CE2-O 3.43Å; Y741-K745 WeakPolarHBondContact O-CA 3.43Å; Y741-K745 PolarHBondContact O-N 2.9Å
746I95.1Very high94Very high101 Ų10186.2 Ų86.252%0.51845%0.447SS..SBendtrans-110.8152173.553159.1000111.1Y740 Y741 H744Y740-I746 WeakPolarHBondContact CD1-O 3.28Å; Y740-I746 HydrophobicContact CE1-CD1 4.08Å; Y740-I746 HydrophobicContact CE1-CG1 3.96Å; Y741-I746 WeakPolarHBondContact CA-O 3.4Å; H744-I746 HydrophobicContact CB-CG1 3.74Å; H744-I746 PolarHBondContact O-N 2.93Å
747N95.7Very high93.5Very high105 Ų10588.1 Ų88.156%0.56145%0.45SS*.PPolyproline II helixtrans-63.2146.7174.6-97.9-37.9000111.3P749N747-P749 WeakPolarHBondContact O-CD 3.31Å
748R96.4Very high92.8Very high33 Ų3394.7 Ų94.713%0.12548%0.48CS..PPolyproline II helixtrans-69.6124.9-177.2-177.6171.5159.4-130.58.5109.9N715 C737 Y740 M752N715-R748 PolarHBondContact ND2-O 3.4Å; N715-R748 VanDerWaalsContact ND2-O 3.17Å; N715-R748 WeakPolarHBondContact OD1-CB 3.28Å; N715-R748 PolarHBondContact OD1-O 2.75Å; C737-R748 HydrophobicContact CB-CB 4.46Å; C737-R748 PolarHBondContact SG-NH1 3.44Å; Y740-R748 HydrophobicContact CD1-CB 3.63Å; Y740-R748 HydrophobicContact CD1-CG 4.16Å; Y740-R748 HydrophobicContact CD2-CG 4.18Å; Y740-R748 HydrophobicContact CE1-CB 4.24Å; Y740-R748 HydrophobicContact CG-CB 3.77Å; Y740-R748 HydrophobicContact CG-CG 3.93Å; R748-M752 HydrophobicContact CG-CB 4.41Å; R748-M752 PolarHBondContact NH2-O 2.97Å
749P96.5Very high92.1Very high49 Ų4999.8 Ų99.832%0.31851%0.509SS..PPolyproline II helixtrans-67.6138.4178.527.3-34000110.2Y740 N747 S751 M752Y740-P749 WeakPolarHBondContact OH-CD 3.27Å; N747-P749 WeakPolarHBondContact O-CD 3.31Å; P749-S751 PolarHBondContact O-N 2.9Å; P749-M752 HydrophobicContact CG-CB 4.45Å; P749-M752 HydrophobicContact CG-CG 3.92Å; P749-M752 HydrophobicContact CG-SD 3.75Å; P749-M752 WeakPolarHBondContact O-CB 3.49Å; P749-M752 PolarHBondContact O-N 3.36Å
750I94.2Very high91.4Very high122 Ų122106.8 Ų106.863%0.62653%0.529SS*.G310 helixtrans-62.7-29.1-173.4-59.8174.7000111.4M752 K753I750-M752 PolarHBondContact O-N 3.14Å; I750-M752 VanDerWaalsContact O-N 3.12Å; I750-K753 WeakPolarHBondContact O-CB 3.39Å; I750-K753 PolarHBondContact O-N 3.22Å
751S93.9Very high90.5Very high112 Ų112115 Ų11578%0.78357%0.566SS**G310 helixtrans-58.5-20.2172.255.70000114.5P749P749-S751 PolarHBondContact O-N 2.9Å
752M92Very high89.6Confident97 Ų97122 Ų12248%0.47859%0.592SS.*G310 helixtrans-90.42.3173.1-66.9-177.375.600113.6Y740 R748 P749 I750Y740-M752 HydrophobicContact CE2-CE 3.99Å; Y740-M752 HydrophobicContact CE2-SD 3.68Å; R748-M752 HydrophobicContact CG-CB 4.41Å; R748-M752 PolarHBondContact NH2-O 2.97Å; P749-M752 HydrophobicContact CG-CB 4.45Å; P749-M752 HydrophobicContact CG-CG 3.92Å; P749-M752 HydrophobicContact CG-SD 3.75Å; P749-M752 WeakPolarHBondContact O-CB 3.49Å; P749-M752 PolarHBondContact O-N 3.36Å; I750-M752 PolarHBondContact O-N 3.14Å; I750-M752 VanDerWaalsContact O-N 3.12Å
753K90.4Very high89Confident64 Ų64124.8 Ų124.828%0.27860%0.604SS.*  trans-60.2145.4174.4-173.9176.7172.8-175.50110C716 I750 E755C716-K753 PolarHBondContact O-NZ 3.4Å; I750-K753 WeakPolarHBondContact O-CB 3.39Å; I750-K753 PolarHBondContact O-N 3.22Å; K753-E755 WeakPolarHBondContact CE-OE2 3.41Å; K753-E755 IonicContact NZ-OE1 3.53Å; K753-E755 IonicContact NZ-OE2 3.8Å
754K88.2Confident87.9Confident129 Ų129124.1 Ų124.156%0.56161%0.607SS**  trans-129.2132171-73.1-178.7171.8177.30106.8
755E84.5Confident86.7Confident154 Ų154128.9 Ų128.972%0.7263%0.627SS**SBendtrans-75.1-32-174.5-146.856.4-150.300112.4K753K753-E755 WeakPolarHBondContact CE-OE2 3.41Å; K753-E755 IonicContact NZ-OE1 3.53Å; K753-E755 IonicContact NZ-OE2 3.8Å
756G83.7Confident85Confident52 Ų52129.5 Ų129.554%0.53663%0.634SS.*SBendtrans-97.2139.9175.800000114Q758G756-Q758 PolarHBondContact O-N 2.89Å
757I86Confident83.2Confident85 Ų85129.5 Ų129.544%0.43664%0.635SS.*  trans-70.6106.8168.6-62.8178.1000109.5A720 T722 T759A720-I757 HydrophobicContact CB-CD1 4.1Å; T722-I757 HydrophobicContact CG2-CG2 3.51Å; I757-T759 PolarHBondContact O-N 3.21Å
758Q82.6Confident81.1Confident141 Ų141131 Ų13166%0.65965%0.648SS**  trans-81.8105.3177-67.8-175.3-28.900111.3G756G756-Q758 PolarHBondContact O-N 2.89Å
759T81.4Confident79Confident121 Ų121136.2 Ų136.274%0.74268%0.678SS**  trans-78.7133.9173.755.20000111I757 K761I757-T759 PolarHBondContact O-N 3.21Å; T759-K761 PolarHBondContact O-N 3.18Å
760R81.9Confident76.7Confident231 Ų231142.9 Ų142.987%0.87270%0.702SS**  trans-79.6121174.6-65.7-170.2-175.4-161.92.9109.6R762R760-R762 PolarHBondContact O-N 3.02Å
761K78.1Confident74.2Confident213 Ų213142.5 Ų142.593%0.92671%0.71SS**  trans-62.295.4169.2-67.8-174.3179.5-177.50109.8T759T759-K761 PolarHBondContact O-N 3.18Å
762R78.8Confident71.9Confident229 Ų229144.8 Ų144.886%0.86471%0.713SS**PPolyproline II helixtrans-76.4128.1173-69.6176.7173.7162-3.2108.6R760R760-R762 PolarHBondContact O-N 3.02Å
763K81.4Confident70.1Confident197 Ų197149.2 Ų149.286%0.85773%0.733SS**PPolyproline II helixtrans-62.6135.1165.9-68.4-174177.2-175.10108.2K765K763-K765 PolarHBondContact O-N 3.33Å
764P74.1Confident67.7Low118 Ų118154.2 Ų154.277%0.76676%0.762SS**PPolyproline II helixtrans-61.5131.4171.726.5-33000108.9M766P764-M766 PolarHBondContact O-N 3.16Å
765K69.9Low65.3Low195 Ų195158.9 Ų158.985%0.84878%0.777SS**PPolyproline II helixtrans-76.8121.8174.4-166.4176.5-178.7-174.50107.5K763 N767K763-K765 PolarHBondContact O-N 3.33Å; K765-N767 PolarHBondContact O-N 2.93Å
766M61.2Low63.4Low172 Ų172156.6 Ų156.685%0.84777%0.774SS**PPolyproline II helixtrans-71.8122.5-178-50.7-177.688.900108.1P764 T768P764-M766 PolarHBondContact O-N 3.16Å; M766-T768 PolarHBondContact O-N 3.26Å
767N55.6Low61.5Low101 Ų101160.6 Ų160.654%0.5479%0.788SS.*  trans-77.1103.4179.6-77.4-12.7000109.3K765 L769K765-N767 PolarHBondContact O-N 2.93Å; N767-L769 VanDerWaalsContact C-N 3.29Å; N767-L769 PolarHBondContact O-N 3.24Å
768T52.1Low59.2Low136 Ų136163.4 Ų163.483%0.83480%0.804SS**  trans-66.590.4166.4-47.20000108.7M766 K770M766-T768 PolarHBondContact O-N 3.26Å; T768-K770 PolarHBondContact O-N 3.07Å; T768-K770 VanDerWaalsContact O-N 3.14Å
769L53.5Low57.4Low142 Ų142162.3 Ų162.374%0.74381%0.812SS**  trans-62.1112.9175.9-70.6169.5000108.9N767 S771N767-L769 VanDerWaalsContact C-N 3.29Å; N767-L769 PolarHBondContact O-N 3.24Å; L769-S771 PolarHBondContact O-N 3.15Å
770K47.3Very low55.8Low190 Ų190160.2 Ų160.283%0.82680%0.802SS**  trans-66.3116.6169.8-71.3-170.2175-1710108.6T768 N772T768-K770 PolarHBondContact O-N 3.07Å; T768-K770 VanDerWaalsContact O-N 3.14Å; K770-N772 PolarHBondContact O-N 3.47Å; K770-N772 VanDerWaalsContact O-N 3.08Å
771S42Very low54Low114 Ų114161 Ų16180%0.79781%0.805SS**SBendtrans-68.2100.3176.3510000110.6L769L769-S771 PolarHBondContact O-N 3.15Å
772N45.4Very low52Low159 Ų159154.1 Ų154.185%0.8580%0.795SS**  trans-160.228.4163.5-113.51.8000114.7K770K770-N772 PolarHBondContact O-N 3.47Å; K770-N772 VanDerWaalsContact O-N 3.08Å
773Q54.4Low50.4Low191 Ų191149.7 Ų149.789%0.89380%0.799SS**  trans-139.873.3167.6-72-165.51.500111
774L40.1Very low48.3Very low168 Ų168143.1 Ų143.188%0.8879%0.787SS**  trans-135.891.1162.8-79.3178.4000108.9
775Y37.3Very low47Very low227 Ų227147.5 Ų147.589%0.8979%0.794SS**  trans-140.7122.9158-129.8-88.7000108.6
776V45.7Very low45.8Very low107 Ų107143.4 Ų143.465%0.64879%0.79SS**  trans-97.4130.2-178.1175.60000108.7
777T42.2Very low45Very low136 Ų136142.3 Ų142.383%0.83479%0.787SS**  trans-111.3105.8168.442.70000110.2
778N39.4Very low44.3Very low144 Ų144145.3 Ų145.377%0.7780%0.803SS**  trans-78.4126.3175.9-70.4-44.7000110.9
779S44.1Very low44Very low118 Ų118147.5 Ų147.583%0.82580%0.801SS**  trans-179.5150.7153.3-87.90000111.7
780S47.6Very low43.2Very low77 Ų77147.9 Ų147.954%0.53880%0.803SS.*  cis-168.2151.6-22.865.90000109.6
781R43.6Very low42.7Very low247 Ų247145.3 Ų145.393%0.93280%0.802SS**  trans67.1143.8163.5-54.2148.9-174.2174.71.6115.7
782G37.7Very low42.4Very low69 Ų69143.8 Ų143.871%0.71180%0.797SS**  cis178.4175.2-5.900000112.4
783S44.5Very low42.1Very low136 Ų136147.5 Ų147.595%0.95180%0.799SS**  trans70.5133.8-176.7-1570000115.8
784G37Very low41.4Very low58 Ų58146.9 Ų146.960%0.59880%0.798SS**  cis165.7153.9-6.200000112.7
785K46.3Very low41.2Very low210 Ų210146.4 Ų146.491%0.91380%0.796SS**  trans76.9106.3-174.2-50.5167.5-174.9177.30112.4
786S45.6Very low41.2Very low109 Ų109139.5 Ų139.576%0.76279%0.794SS**  82.4126.287-161.90000111.2
787L43.8Very low40.9Very low150 Ų150138.8 Ų138.879%0.78579%0.794SS**  cis-144.6140.437.9-172.276.6000112.7
788N41.4Very low40.7Very low163 Ų163140.8 Ų140.887%0.87279%0.791SS**  trans-83136.9169.6-80-28.6000111.4
789K44.6Very low40.8Very low182 Ų182142.6 Ų142.679%0.79180%0.795SS**  trans-153115.7155.2-152.1159.5-172.4175.50115.9
790L36.9Very low40.3Very low150 Ų150144.4 Ų144.479%0.78580%0.795SS**  trans61.695.5154.1-66.1171.8000120.2
791V36.5Very low39.7Very low136 Ų136145.6 Ų145.682%0.82480%0.803SS**  trans-66.3164.6133173.60000109.8
792A37.3Very low39.3Very low82 Ų82140.2 Ų140.268%0.67879%0.793SS**  trans96106.9161.600000119.3
793R38.6Very low39.4Very low238 Ų238145 Ų14590%0.89880%0.797SS**  trans179.992.7142.1-95.9156.1-171.2-171.21.5105.7
794M39.2Very low39.1Very low177 Ų177143.8 Ų143.887%0.87279%0.788SS**  67.514478.3-69.4-153.2-63.200114.6
795D35.2Very low39.3Very low158 Ų158144.6 Ų144.685%0.84578%0.783SS**  trans-52.7150.8-163-66.1-98.3000118.6
796G38.4Very low38.6Very low82 Ų82143.2 Ų143.285%0.84577%0.773SS**  trans-142.789.9167.200000110.5
797S39.7Very low38.2Very low92 Ų92146.5 Ų146.564%0.64377%0.774SS**  trans-76.2143.6-170.9-106.70000115.1
798K37.7Very low37.7Very low178 Ų178144.5 Ų144.577%0.77477%0.768SS**  trans51.7115.4142.1-55.2167.7-172.3175.30119.4
799Q41Very low37.6Very low182 Ų182146.9 Ų146.985%0.8577%0.765SS**  -177.2133107.7-93.9153.897.600109
800L34.3Very low37.1Very low157 Ų157145.1 Ų145.182%0.82276%0.759SS**  88.2136.252.5-156.486000112.3
801S34.3Very low37.2Very low102 Ų102146.2 Ų146.271%0.71376%0.76SS**  trans74.6147.717591.50000115.3
802N34.6Very low36.9Very low134 Ų134147.6 Ų147.672%0.71776%0.757SS**  cis-159.3170.9-13.9-126.5-17.6000113
803Q41Very low36.8Very low169 Ų169151.5 Ų151.579%0.7977%0.765SS**  trans68.192152.3-70.5162.930.100119.8
804S37.7Very low36.7Very low110 Ų110144.6 Ų144.677%0.76975%0.751SS**  -58.8-165.5129.4-144.20000110.3
805P41.9Very low36.2Very low75 Ų75145.4 Ų145.449%0.48775%0.745SS.*  cis-145.8-155.55.423.57.4000115.5
806Y31.9Very low35.9Very low182 Ų182145.4 Ų145.471%0.71474%0.74SS**  trans104.3109160.2-51.1-44.2000115.5
807K35.2Very low35.5Very low177 Ų177145.2 Ų145.277%0.7774%0.738SS**  73.2140.281.6-73.8179.7-179.11770111.5
808T34.2Very low35.1Very low108 Ų108147.3 Ų147.366%0.66375%0.747SS**  cis-156.5-176.86.62.50000107.5
809R39.6Very low34.6Very low214 Ų214146.9 Ų146.981%0.80875%0.748SS**  cis-162.7149.229.3-143.3164.9-172.4-1750.6111.5
810H34Very low34.2Very low144 Ų144144.7 Ų144.767%0.66775%0.747SS**  trans-4.4147147.6-52.7-102.4000118
811H38.6Very low33.9Very low174 Ų174145.6 Ų145.681%0.80675%0.747SS**  -156.5158.762-95.5-90.3000116.9
812H31Very low33.7Very low164 Ų164145.1 Ų145.176%0.75974%0.744SS**  trans-74.2160.3160.8-85-123000112.1
813I35.3Very low33.5Very low165 Ų165146.3 Ų146.385%0.84675%0.745SS**  trans-165.1124.1131.4-94.4144.5000109.4
814P35.9Very low33.3Very low93 Ų93147.4 Ų147.460%0.60475%0.749SS**  trans-102.8-170.7158.738.3-30000111.1
815Y29.2Very low33Very low193 Ų193147.3 Ų147.376%0.75775%0.748SS**  trans72.9158.6-179.7-79.3-128.9000114.9
816Q29.4Very low32.7Very low159 Ų159151.5 Ų151.574%0.74377%0.765SS**  cis-166.8143.6-29.2-114.8-172.2-11.400107.9
817G28.2Very low32.9Very low78 Ų78148.3 Ų148.380%0.80477%0.767SS**  trans66.1176.2170.400000115.6
818T31.4Very low33.2Very low135 Ų135145.7 Ų145.783%0.82877%0.768SS**  cis-138.9177.9-9.849.70000109.9
819E26.9Very low33.2Very low169 Ų169150.5 Ų150.579%0.7977%0.774SS**  trans-62.6153.9-178.9-55.2103155.400114.5
820V32.6Very low33Very low136 Ų136150.6 Ų150.682%0.82478%0.78SS**  177.7155.5109154.60000109.8
821E28.6Very low33.1Very low176 Ų176149.3 Ų149.382%0.82278%0.778SS**  trans-56153.2179.3-58.9162.4100.200112.7
822S29.5Very low32.8Very low93 Ų93145.8 Ų145.865%0.6578%0.779SS**  -179.7172.459.954.90000112.6
823H31.1Very low33Very low159 Ų159146.5 Ų146.574%0.73678%0.78SS**  trans27.1126.7163.4-44.8-65.9000121.4
824H36.3Very low33.2Very low192 Ų192144 Ų14489%0.88978%0.775SS**  175.5168.6116.1-86.9-2.2000112.5
825S31.4Very low33Very low107 Ų107147.3 Ų147.375%0.74879%0.787SS**  trans-115.8147.4-164.9-59.50000114.1
826I35.6Very low33.2Very low163 Ų163145.4 Ų145.484%0.83679%0.79SS**  trans46.9112.9147.6-55.9163000116.6
827P37.6Very low33.4Very low116 Ų116145.3 Ų145.375%0.75379%0.787SS**  -155.8-16593.842.3-23.2000113.5
828P41.5Very low33.7Very low122 Ų122151.5 Ų151.579%0.79279%0.788SS**  cis-124179.9-1418.36.5000114.9
829R34Very low33.8Very low208 Ų208152.1 Ų152.179%0.78579%0.786SS**  trans-71157169.4-61.3169.7171.1136.8-6.4112.4L831R829-L831 HydrophobicContact CB-CG 4.46Å
830F35.7Very low34Very low216 Ų216151.6 Ų151.695%0.94778%0.783SS**  trans-107.8127.1142-98.9-90.5000109.3
831L35.4Very low34.2Very low117 Ų117154 Ų15461%0.61379%0.786SS**  trans-110.6146.4171.5-73.6171.1000109.2R829 F833R829-L831 HydrophobicContact CB-CG 4.46Å; L831-F833 HydrophobicContact CB-CE2 4.2Å
832A31.3Very low34.5Very low100 Ų100150.1 Ų150.183%0.82678%0.777SS**  trans-94144.816900000110
833F35.9Very low34.6Very low179 Ų179153.3 Ų153.379%0.78578%0.784SS**  trans-126.9147.2170.6-77.3-81.3000110.2L831L831-F833 HydrophobicContact CB-CE2 4.2Å
834P38.8Very low34.8Very low114 Ų114154.9 Ų154.974%0.7479%0.789SS**  trans-90.3157.5-178.736.5-34.8000112.7
835N33.4Very low34.9Very low162 Ų162154.4 Ų154.487%0.86678%0.784SS**  trans-100.8143.7169.7-78.1-5.6000111.3
836L33.7Very low35.2Very low153 Ų153157 Ų15780%0.80179%0.785SS**  trans-146.7146168.2-83.9176.4000111.4
837F33.4Very low35Very low157 Ų157155.5 Ų155.569%0.68978%0.778SS**  trans79.5134.1153.4-80.5-60.3000124.7
838Y34Very low35Very low208 Ų208157 Ų15782%0.81678%0.779SS**  trans73.6165.4151.1-74.4-60.6000122.1
839D32.5Very low34.8Very low148 Ų148157.7 Ų157.779%0.79178%0.776SS**  trans-152.3176.8-134.5-157.1-6.6000112.7
840E32.6Very low34.7Very low158 Ų158154.8 Ų154.874%0.73877%0.772SS**  trans64.1121.5171-74.8-155.178.200121
841Q36.5Very low34.5Very low187 Ų187150.2 Ų150.287%0.87476%0.757SS**  -170.3113.9118.8-107.3167.179.600116.1
842S33.8Very low34.6Very low93 Ų93154.1 Ų154.165%0.6577%0.769SS**  trans54.7122.5134.2-87.60000125.7
843M31.9Very low34.7Very low161 Ų161153.4 Ų153.479%0.79376%0.758SS**  76.8108.8121.5-65.2-87.2-171.200123.2
844K36.7Very low34.4Very low191 Ų191151.9 Ų151.983%0.8376%0.758SS**  170147.4105.4-98.5156.9-176.51680117.8
845K37.7Very low34.3Very low182 Ų182152.6 Ų152.679%0.79176%0.761SS**  trans70.1130167.6-65.8-177174.2-174.40117.3
846Q37.1Very low34.3Very low162 Ų162152.2 Ų152.276%0.75776%0.757SS**  cis79.1138.637.1-64.8-179.8-41.400114.1
847N32.6Very low34.2Very low132 Ų132152 Ų15271%0.70676%0.758SS**  cis-165.3-173.7-4.3-118.616.9000110.4
848L36.1Very low34Very low147 Ų147148.3 Ų148.377%0.7775%0.751SS**  trans74.6153.6171.1-83.857.9000116.9
849D37Very low34Very low136 Ų136145.8 Ų145.873%0.72775%0.751SS**  cis178.3168.3-35.9-101.8-47.9000106.8
850E33.6Very low34.1Very low148 Ų148146.2 Ų146.269%0.69275%0.746SS**  cis-149.4-175.78.6-146.1-93.299.800109.1
851N30.5Very low34.2Very low120 Ų120144.9 Ų144.964%0.64274%0.739SS**  trans-87.1162.2-174-58.4-85.4000116.4
852K37.9Very low33.7Very low198 Ų198139.8 Ų139.886%0.86173%0.725SS**  trans-172.691.2140.9-104.9156.3-171.4167.80110.1
853S32.7Very low33.8Very low85 Ų85143.1 Ų143.159%0.59473%0.729SS**  77.8106.363.980.80000115
854N31Very low33.6Very low147 Ų147140.2 Ų140.279%0.78673%0.725SS**  trans59.3129.7139-48-8.2000120.1
855T35.5Very low33.1Very low130 Ų130138.3 Ų138.380%0.79872%0.723SS**  178.415010526.20000112.8
856L34.6Very low32.8Very low153 Ų153136 Ų13680%0.80172%0.72SS**  trans58.598.6160.9-61.7165.9000115.8
857D30.3Very low32.4Very low150 Ų150135.7 Ų135.780%0.80272%0.718SS**  cis69.2138.725-159.617.1000115.9
858S29.2Very low32.4Very low79 Ų79134.7 Ų134.755%0.55272%0.717SS**  trans61.2117.4176.171.20000119.2
859L34.8Very low32Very low155 Ų155135.7 Ų135.781%0.81272%0.717SS**  trans149.8121.2144.9-82.7160.1000110.1
860F33.7Very low32Very low156 Ų156133 Ų13368%0.68471%0.707SS**  cis-169.5153.9-17.5-127.3-152.3000107
861H34.5Very low32.1Very low130 Ų130134 Ų13460%0.60271%0.714SS**  trans46.2111.4149-66.570.6000119
862S27.6Very low32.2Very low81 Ų81136 Ų13657%0.56672%0.718SS**  67.3165.378.574.90000114.9
863H34.3Very low32.1Very low162 Ų162135 Ų13575%0.7571%0.714SS**  trans69.790.4-171.3-42.9-71.3000112.1
864S28.3Very low32.1Very low101 Ų101136.7 Ų136.771%0.70672%0.721SS**  cis63.611636.6-152.80000113.5
865L26.9Very low32.2Very low151 Ų151133.8 Ų133.879%0.79172%0.718SS**  trans41.5114.3154.5-54175.1000118.8
866N31.3Very low32.2Very low134 Ų134139.7 Ų139.772%0.71773%0.726SS**  -178.8153.2107.8-92.16.2000109.9
867E27.4Very low32.3Very low154 Ų154138.3 Ų138.372%0.7272%0.724SS**  cis122.1165.119-160.4-176.3-141.600108
868V33.1Very low32.8Very low112 Ų112137 Ų13768%0.67972%0.723SS**  trans73.588.6162.2-167.70000119.8
869H29Very low33.3Very low168 Ų168144.3 Ų144.378%0.77874%0.739SS**  70.5161.8126.4-82.9-90.2000123.2
870P36.3Very low33.6Very low78 Ų78146.2 Ų146.251%0.50674%0.741SS.*  trans-105.3174.4-161.741.6-36.9000114.7
871M35.9Very low34.9Very low171 Ų171144.1 Ų144.184%0.84274%0.743SS**  trans-136.9153.6160.4-82-62.6-97.600112.6
872H31.9Very low36Very low160 Ų160143.4 Ų143.474%0.74175%0.75SS**  trans-71.5162.6179.1-65.2-123.1000112.1
873F35.5Very low37.5Very low177 Ų177144.8 Ų144.878%0.77676%0.757SS**  178115.8102.7-101.8-79.4000113.4
874T32.2Very low38.9Very low121 Ų121143.1 Ų143.174%0.74276%0.76SS**  trans20.5132.2146.264.40000121.5
875A34Very low40Very low86 Ų86146.9 Ų146.971%0.71177%0.766SS**  141.5125.7107.100000116.7
876R35.9Very low41.7Very low254 Ų254145.2 Ų145.296%0.95877%0.765SS**  trans72.1141.2153.4-63.4-179.9-176.3-150.4-1119.4
877T35.3Very low42.8Very low125 Ų125144.8 Ų144.877%0.76777%0.769SS**  trans-100.8168.5-17649.20000111.9
878P42.3Very low43.3Very low122 Ų122142.9 Ų142.979%0.79277%0.77SS**  -119.7155.9117.3-5.425.1000113.1
879R38.7Very low43.6Very low232 Ų232143.6 Ų143.688%0.87578%0.775SS**  trans-91.5147.3170.8-73.4-179.5169.5-167.5-2.7111
880F42.6Very low44Very low196 Ų196141 Ų14186%0.8678%0.776SS**  trans-135.4153.7149.2-83.4-78.2000109.7
881P59.5Low44.1Very low111 Ų111142.8 Ų142.872%0.72179%0.787SS**PPolyproline II helixtrans-87.3163.1-163.334.7-36.7000114.7
882P58.8Low44.1Very low115 Ų115140.5 Ų140.575%0.74779%0.788SS**PPolyproline II helixtrans-80.8159.7175.934.4-36.3000113.3
883P59.3Low44.3Very low111 Ų111141.3 Ų141.372%0.72179%0.792SS**PPolyproline II helixtrans-66.8155.7166.2-16.631.5000112.5
884P63.2Low44.6Very low126 Ų126141.3 Ų141.382%0.81879%0.794SS**PPolyproline II helixtrans-81.2149.8-174.832.5-35.7000114
885H52.1Low44.8Very low180 Ų180143.3 Ų143.383%0.83379%0.794SS**PPolyproline II helixtrans-86.8146.2166.5-65-91.1000111.1
886P61.5Low44.8Very low116 Ų116150.2 Ų150.275%0.75380%0.802SS**PPolyproline II helixtrans-70.6146.3164.130.7-33.6000111.1
887P53.8Low44.8Very low125 Ų125141.9 Ų141.981%0.81279%0.788SS**PPolyproline II helixtrans-83.3149.9-172.833.1-36.1000113.7
888P38.2Very low44.7Very low115 Ų115143.1 Ų143.175%0.74779%0.789SS**  trans-110.5166.6175.741.8-35.2000114.3
889V39.4Very low44.5Very low126 Ų126145 Ų14576%0.76479%0.791SS**  trans69.6119.8164.3-170.30000118.2
890S37.1Very low44.4Very low115 Ų115142.3 Ų142.380%0.80479%0.788SS**  179.8113122.6-800000113
891P38.4Very low43.8Very low115 Ų115140.7 Ų140.775%0.74778%0.783SS**  trans-97.1141.5163.935.3-29.2000111.5
892S37Very low42.8Very low123 Ų123140.7 Ų140.786%0.8678%0.783SS**  trans-159.7151.3169.9-80.80000112.4
893H36.6Very low41.4Very low176 Ų176141.4 Ų141.482%0.81578%0.781SS**  trans-81.2159.5179.4-67.8-101.5000112.7
894H39.9Very low40.1Very low177 Ų177141.7 Ų141.782%0.81979%0.785SS**  176.3110128.6-87.5-61.9000107.9
895H38.3Very low38.7Very low163 Ų163140.3 Ų140.376%0.75578%0.778SS**  76.6100.986.9-92.6-46.5000117.7
896R32.5Very low37.8Very low232 Ų232138.2 Ų138.288%0.87578%0.778SS**  83.1147.6122.8-164.6175.7-173.91563.4120.7
897A36.9Very low36.5Very low79 Ų79136.9 Ų136.965%0.65377%0.772SS**  trans73.6115.3170.500000115.2
898N33.4Very low35.5Very low151 Ų151138.2 Ų138.281%0.80777%0.772SS**  86.7121.558-74.113.7000112.6
899I36.7Very low35.3Very low160 Ų160140.3 Ų140.382%0.82178%0.775SS**  167.2120.7126.7-86.1157.2000111.6
900H36.3Very low35.1Very low177 Ų177142 Ų14282%0.81977%0.774SS**  trans32.3126151.4-67-71.5000125.3
901E30.9Very low34.8Very low162 Ų162145.3 Ų145.376%0.75777%0.77SS**  trans-39.9165.7136.1-99.9-178.5-164.800115.1
902P37.7Very low34.5Very low110 Ų110145 Ų14571%0.71476%0.763SS**  cis-154.7167.148.142.8-21.2000120.7
903N30.2Very low34.4Very low131 Ų131146 Ų14670%0.70175%0.754SS**  trans22158.6140.1-62.4-49000124.7
904S32.1Very low34.3Very low116 Ų116144.9 Ų144.981%0.81175%0.754SS**  trans80.4146.4163.876.80000117.2
905S33.8Very low33.8Very low97 Ų97139.9 Ų139.968%0.67875%0.75SS**  cis-169.4139.7-13.344.20000113.9
906V33Very low33.5Very low136 Ų136140.2 Ų140.282%0.82476%0.757SS**  trans68.5157.4139177.90000120.1
907S33.5Very low33.5Very low89 Ų89137.1 Ų137.162%0.62275%0.753SS**  trans80.596.5160.737.60000121.9
908D33Very low33.1Very low153 Ų153141.7 Ų141.782%0.81876%0.758SS**  95.2158.8112.5-58.6-20.1000124.4
909I34.9Very low33Very low158 Ų158143.2 Ų143.281%0.8176%0.761SS**  trans86.877.1166.3-42.6-171.1000118.6
910H34.6Very low32.8Very low162 Ų162142.9 Ų142.975%0.7576%0.761SS**  59.797.3124.4-96.6-107.7000122.8
911Y30.6Very low32.5Very low184 Ų184141 Ų14172%0.72276%0.761SS**  60.3136.8105.7-94.8-51.2000124.4
912N33Very low32.3Very low109 Ų109136.8 Ų136.858%0.58376%0.755SS**  trans79.7146.1137.3-75.8-20000119.6
913Q34.4Very low31.8Very low144 Ų144140.3 Ų140.367%0.67376%0.764SS**  cis-156.3165.91.1-134152.36.700113.6
914N33.8Very low31.7Very low153 Ų153142.8 Ų142.882%0.81877%0.774SS**  trans71.2118.7163.8-50.1-32.6000116.9
915G31.3Very low31.6Very low72 Ų72145.3 Ų145.374%0.74278%0.776SS**  cis175.6132.1-8.100000112.5
916D30Very low31.4Very low169 Ų169148.6 Ų148.690%0.90479%0.786SS**  trans-74.8132.3-176-56.2-74.7000113.2
917Q34.1Very low31.1Very low168 Ų168153 Ų15379%0.78579%0.788SS**  trans-145.3138.4157.8-71.4-161.4-9.200111.6
918F28.5Very low31Very low174 Ų174155.9 Ų155.976%0.76380%0.796SS**  trans68.352.6167.8-59.2-69.2000119.5
919E31.2Very low30.7Very low183 Ų183155 Ų15586%0.85580%0.798SS**SBend-107.7158125.7-92.2-169149.200109.7
920N31.1Very low30.5Very low154 Ų154153.8 Ų153.882%0.82479%0.792SS**  trans75.261.2-176.1-53.7-65.4000118.1A922N920-A922 VanDerWaalsContact C-N 3.34Å
921T31.1Very low30.2Very low136 Ų136153.4 Ų153.483%0.83479%0.794SS**  trans-91.969.6145.134.50000110.8
922A26.9Very low30.3Very low75 Ų75152 Ų15262%0.6280%0.799SS**  trans-71.9152.2164.800000110.7N920N920-A922 VanDerWaalsContact C-N 3.34Å
923M27.1Very low30.2Very low184 Ų184154.5 Ų154.591%0.90681%0.805SS**SBendtrans42.475.2154.2-61.5-177.6173.900118.3
924M27.3Very low30.1Very low183 Ų183153.1 Ų153.190%0.90181%0.806SS**  trans179.9110.1131.8-101-178.7-143.500112.4
925I30.8Very low30.3Very low169 Ų169152.7 Ų152.787%0.86781%0.809SS**  trans-16876.9133.8-93.3150000105.7
926N29.1Very low30.2Very low166 Ų166152.3 Ų152.389%0.88881%0.805SS**  trans-108.471.4175.2-139.7-6.3000107.5
927R27.5Very low30.4Very low229 Ų229153.4 Ų153.486%0.86481%0.805SS**  trans-164.6147.9175.4-105.3157.1-161.2-102.41110.7
928L30Very low30.4Very low149 Ų149151.8 Ų151.878%0.7880%0.802SS**  trans78.980.4177.4-58.8169.5000118.4I930L928-I930 PolarHBondContact O-N 3.08Å
929P28Very low30.4Very low133 Ų133148.8 Ų148.886%0.86480%0.801SS**  trans-93.868.9166.337.5-32.7000112
930I29.4Very low30.4Very low133 Ų133147.9 Ų147.968%0.68280%0.8SS**  trans-133143.8-178-59.6-178.9000110.2L928L928-I930 PolarHBondContact O-N 3.08Å
931L29.8Very low30.5Very low154 Ų154147.4 Ų147.481%0.80680%0.798SS**  trans64.881.6176.8-70.1152.9000117.3
932N32.8Very low30.5Very low154 Ų154146.4 Ų146.482%0.82480%0.796SS**  -168.5115.399.8-106.4-31000114.3
933K30.3Very low30.7Very low162 Ų162150.8 Ų150.870%0.70481%0.809SS**  trans-114.5163150.5-85.8-179.8176.1172.90106.5
934V32.3Very low30.9Very low116 Ų116148.6 Ų148.670%0.70380%0.8SS**  trans94.1133.7177.2-174.40000113.1
935T37.3Very low31.1Very low143 Ų143147.3 Ų147.388%0.87780%0.795SS**  trans54.3162.7-166.470.60000115
936G29.1Very low31Very low64 Ų64151.6 Ų151.666%0.6680%0.801SS**  cis156.191.3-16.100000112.9
937E34.3Very low30.9Very low192 Ų192147.7 Ų147.790%0.89779%0.786SS**  trans72.3163167.7-51.8-157139.300119
938N33.7Very low31.1Very low135 Ų135143.8 Ų143.872%0.72278%0.782SS**  trans-57.4140.7-169.8-39.6-85.8000115.4
939C28.3Very low31.2Very low111 Ų111143.5 Ų143.575%0.7579%0.787SS**  161.267.8121.5-86.10000114.8
940I32.7Very low31.1Very low163 Ų163143.1 Ų143.184%0.83679%0.788SS**SBendtrans-135.279.2162.5-50.7179.1000110
941N32.6Very low31.1Very low144 Ų144148.3 Ų148.377%0.7780%0.799SS**SBendtrans-17140.5157.6-107.4-32.4000113.2
942S32.2Very low31.3Very low115 Ų115147.8 Ų147.880%0.80480%0.802SS**SBendtrans-12118.2175.5-560000112.7
943L30.5Very low31.2Very low167 Ų167147.2 Ų147.287%0.87480%0.799SS**SBendtrans-147.527.1-167.9-121.6148.9000113
944L31.5Very low31.4Very low139 Ų139147.4 Ų147.473%0.72881%0.808SS**SBendtrans-146.241.2177.4-128.2131000112.3
945I32Very low31.3Very low156 Ų156149.1 Ų149.180%0.881%0.813SS**SBendtrans-127.437.2171.7-42-178.3000109.1
946W27.2Very low31.2Very low259 Ų259147.5 Ų147.598%0.98181%0.808SS**SBendtrans-142.337.4176.7-133.2-12.8000113.5
947S28.5Very low31.5Very low83 Ų83152.3 Ų152.358%0.5882%0.815SS**SBendtrans-153.9152.416745.20000109.6
948N30.3Very low31.4Very low147 Ų147150 Ų15079%0.78681%0.809SS**SBendtrans5975.8167.7-54.8-15.5000117.4
949T32.3Very low31.4Very low143 Ų143150.8 Ų150.888%0.87782%0.818SS**  176.495.2111.229.90000112
950S25.7Very low31.6Very low126 Ų126149.8 Ų149.888%0.88182%0.818SS**  trans-133.794.8163-630000108.2
951R29.6Very low31.7Very low241 Ų241149.4 Ų149.491%0.90982%0.817SS**  trans-163.183175.3-129.5-179.2-171.2-175.13.2113.2
952T34Very low31.5Very low144 Ų144149.6 Ų149.688%0.88382%0.817SS**  trans-157.1151.2138.218.20000107.5
953N31.2Very low31.5Very low142 Ų142149.1 Ų149.176%0.75981%0.81SS**  trans-92.9161.3-170-48.1-23.2000110.8
954D33.4Very low31.7Very low166 Ų166147.3 Ų147.389%0.88880%0.801SS**  -164.9145.4124.6-94.6-23.5000109.4
955D30.6Very low31.6Very low152 Ų152148.7 Ų148.781%0.81380%0.801SS**  trans-85.4146.5-170.7-65-68.9000113.5
956S35Very low31.4Very low109 Ų109149 Ų14976%0.76280%0.803SS**  169.7137.611646.80000116
957M35.1Very low31.7Very low165 Ų165144.2 Ų144.281%0.81379%0.792SS**  trans70.7145.4149.1-68.5-67.610700122.3
958N34.1Very low31.9Very low143 Ų143147.9 Ų147.977%0.76580%0.804SS**  trans76.162.3161.2-59.1-22.9000118.7
959T33Very low31.8Very low151 Ų151147.5 Ų147.593%0.92680%0.802SS**  trans-44131.2142.721.40000113.5
960A32.8Very low31.8Very low90 Ų90146.7 Ų146.774%0.74479%0.792SS**  trans-155.9115.5157.500000111.4
961L33.5Very low32Very low155 Ų155148.3 Ų148.381%0.81279%0.791SS**  trans61.4103.4168-50-179.4000116.2
962L30Very low32.1Very low148 Ų148148.6 Ų148.678%0.77579%0.792SS**  68.1130.880.2-87.282.8000114.5
963T31.7Very low31.9Very low105 Ų105149.6 Ų149.664%0.64479%0.792SS**  cis-172.9179.4-20.39.60000107.9
964N33.4Very low32Very low130 Ų130152.1 Ų152.170%0.69580%0.799SS**  trans78.2133.5166.2-48-18.2000116.6
965F30Very low31.8Very low168 Ų168150.2 Ų150.274%0.73779%0.794SS**  cis-156.8147.2-26.9-115.8-67.2000107.4
966I28.5Very low31.8Very low163 Ų163149.6 Ų149.684%0.83679%0.789SS**  trans-119.6117.1167.8-64.3174.2000106.6
967E33.5Very low31.6Very low158 Ų158150.4 Ų150.474%0.73879%0.785SS**  trans178.8141171.3-106.3165.6-148.700106.1
968L32.7Very low31.6Very low159 Ų159149.6 Ų149.683%0.83278%0.779SS**  cis-133.1157.60-78.9140.7000109.8
969D28.8Very low31.7Very low139 Ų139149.6 Ų149.674%0.74378%0.779SS**  trans-110.7161.2160.6-155.4-12000109.1
970N31.9Very low31.9Very low126 Ų126148.6 Ų148.667%0.67477%0.768SS**  trans67.5103.3-177.1-44.3-82000116.4
971N30.2Very low31.8Very low160 Ų160150.1 Ų150.186%0.85676%0.764SS**  164.4113.1108.1-86.1-42.3000111.4
972R30.3Very low31.9Very low247 Ų247150.6 Ų150.693%0.93276%0.762SS**  trans-155.979.5161.5-129.7174.2-172169.83.5112.1
973N30.9Very low32Very low166 Ų166149.3 Ų149.389%0.88876%0.755SS**  trans-15958.2163.5-113.7-9.7000112.4
974Q33.5Very low32.1Very low194 Ų194148.1 Ų148.191%0.90775%0.752SS**  trans-153.5157.3148.3-114160.824.500110.7
975T27.5Very low32.1Very low126 Ų126147.5 Ų147.577%0.77375%0.748SS**  trans-108-174.7-165.8450000111.5
976I32.5Very low32.2Very low140 Ų140145.5 Ų145.572%0.71875%0.745SS**  trans96.599162.6-58.5169.4000115.3
977N30.8Very low32.6Very low126 Ų126144 Ų14467%0.67474%0.739SS**  trans79158.2134.9-68.621.8000124.2
978E34.5Very low32.7Very low148 Ų148142 Ų14269%0.69273%0.733SS**  trans8071.9145.9-77.4144.7-117.600118.5
979D35.7Very low32.8Very low142 Ų142140 Ų14076%0.75972%0.723SS**  85.8156.8109.8-64.1-5.3000122.3
980D36.9Very low33.1Very low131 Ų131139.9 Ų139.970%0.70172%0.718SS**  trans67.696.9155.1-77.111.4000121.3
981N32Very low33.3Very low122 Ų122140 Ų14065%0.65272%0.719SS**  98.8120.5111.2-77.1-32.3000120.1
982E34.8Very low33.4Very low164 Ų164136.6 Ų136.677%0.76671%0.708SS**  71.6146.6129.4-70.4-153.1158.800120
983N31.1Very low33.7Very low121 Ų121130.3 Ų130.365%0.64769%0.693SS**  cis-174-177.2-14-173.3-10.7000105.3
984S34.3Very low34Very low81 Ų81130 Ų13057%0.56668%0.683SS**  trans71.997.7149.5-79.80000120
985N34.1Very low34Very low117 Ų117128.7 Ų128.763%0.62668%0.677SS**  80.1100.3104-67.7-29.2000120.8
986N32.2Very low34.4Very low125 Ų125127.1 Ų127.167%0.66867%0.671SS**  82.5155.9104.5-67.5-12000122.3
987N35.4Very low34.4Very low132 Ų132127.6 Ų127.671%0.70668%0.675SS**  trans71127.8150.5-65.9-6.3000117.2
988N35.9Very low34.4Very low115 Ų115127.9 Ų127.962%0.61568%0.675SS**  cis178.1157.814-110.2-6000108.8
989N34.6Very low34.3Very low117 Ų117126.6 Ų126.663%0.62668%0.68SS**  trans67.8145.1141.1-65.518.9000119.9
990E35.8Very low34Very low137 Ų137125.6 Ų125.664%0.6467%0.673SS**  cis-163.1158.4-9.3-123.7173.8-13900110.8
991N35.2Very low33.8Very low130 Ų130125.6 Ų125.670%0.69567%0.673SS**  trans61.4146.6150.7-59.7-30.9000120.6
992S33.6Very low33.8Very low87 Ų87127.9 Ų127.961%0.60868%0.678SS**  cis-166.8162.1-20.151.40000109.8
993D36.2Very low33.6Very low116 Ų116124.9 Ų124.962%0.6268%0.675SS**  trans65.4142.7153.3-69-15.4000119.9
994K38.3Very low33.7Very low158 Ų158124.1 Ų124.169%0.68767%0.671SS**  cis-155.8132.81.8-121.9152.8-171137.30110.1
995H33.1Very low33.8Very low167 Ų167125.4 Ų125.477%0.77368%0.675SS**  trans45.3140.6139.7-70.2-105.5000120.6
996S35.7Very low34Very low94 Ų94125.2 Ų125.266%0.65768%0.678SS**  cis-161.6143.416.9520000115.2
997N32.9Very low34.3Very low150 Ų150123.7 Ų123.780%0.80267%0.673SS**  trans73.4131.9139.9-60.26.9000121.9
998I29.3Very low34.4Very low131 Ų131121.8 Ų121.867%0.67266%0.663SS**  trans-106.8161.2172-20.8176.7000107.7I1000I998-I1000 HydrophobicContact CB-CD1 4.39Å; I998-I1000 HydrophobicContact CD1-CD1 4.04Å; I998-I1000 HydrophobicContact CG2-CD1 4.31Å; I998-I1000 HydrophobicContact CG2-CG1 4.01Å
999P33.3Very low34.5Very low121 Ų121124.3 Ų124.379%0.78667%0.669SS**  -125.2154.286.50.722.4000112.5
1000I29.8Very low34.8Very low122 Ų122123.9 Ų123.963%0.62667%0.665SS**  cis74139.635.9-70.2166.7000113.5I998I998-I1000 HydrophobicContact CB-CD1 4.39Å; I998-I1000 HydrophobicContact CD1-CD1 4.04Å; I998-I1000 HydrophobicContact CG2-CD1 4.31Å; I998-I1000 HydrophobicContact CG2-CG1 4.01Å
1001D31.8Very low34.9Very low130 Ų130121.4 Ų121.470%0.69566%0.657SS**  trans66.1139.2-175.6-61.4-25.7000116.9
1002F32.8Very low35Very low170 Ų170122.3 Ų122.375%0.74666%0.655SS**  cis-121.2137.41.5-96.8-87.9000112.3
1003S30.5Very low35.3Very low101 Ų101124 Ų12471%0.70665%0.653SS**  trans-77.5124.415253.60000109.5
1004N33.3Very low35.2Very low105 Ų105127.8 Ų127.856%0.56166%0.66SS**  trans-176.5-36.1156.1-93.9-14.9000111.8V1006 V1007 D1008N1004-V1006 PolarHBondContact O-N 3.25Å; N1004-V1007 PolarHBondContact O-N 3.02Å; N1004-D1008 PolarHBondContact O-N 3.02Å
1005T36.7Very low35Very low109 Ų109127.1 Ų127.167%0.66966%0.659SS**Hα-helixtrans-58.6-13.2-170.245.30000117.1F1009T1005-F1009 WeakPolarHBondContact O-CB 3.48Å
1006V36.9Very low35Very low112 Ų112125.6 Ų125.668%0.67965%0.652SS**Hα-helixtrans-91.7-21177.6-178.70000112.5N1004N1004-V1006 PolarHBondContact O-N 3.25Å
1007V39.8Very low34.8Very low93 Ų93128.5 Ų128.556%0.56466%0.659SS**Hα-helixtrans-88.4-44175178.60000110.2N1004 F1009 I1010 N1011N1004-V1007 PolarHBondContact O-N 3.02Å; V1007-F1009 PolarHBondContact O-N 3.46Å; V1007-I1010 PolarHBondContact O-N 3.15Å; V1007-N1011 PolarHBondContact O-N 2.94Å; V1007-N1011 VanDerWaalsContact O-N 3.14Å
1008D37.6Very low34.8Very low93 Ų93129 Ų12950%0.49766%0.656SS.*Hα-helixtrans-61.8-41.3179.8-62.4-35.2000112.1N1004 I1010 N1011 F1012N1004-D1008 PolarHBondContact O-N 3.02Å; D1008-I1010 PolarHBondContact O-N 3.26Å; D1008-N1011 PolarHBondContact O-N 3.47Å; D1008-F1012 VanDerWaalsContact O-CB 3.28Å; D1008-F1012 WeakPolarHBondContact O-CB 3.48Å; D1008-F1012 PolarHBondContact O-N 3.33Å
1009F37.9Very low34.9Very low167 Ų167131.1 Ų131.173%0.73266%0.663SS**Hα-helixtrans-68.1-18.1-178.7-156.5-92.8000113.8T1005 V1007T1005-F1009 WeakPolarHBondContact O-CB 3.48Å; V1007-F1009 PolarHBondContact O-N 3.46Å
1010I39.9Very low34.8Very low108 Ų108135.4 Ų135.455%0.55467%0.669SS**Hα-helixtrans-91.8-37176.4-65178.3000110.7V1007 D1008V1007-I1010 PolarHBondContact O-N 3.15Å; D1008-I1010 PolarHBondContact O-N 3.26Å
1011N39.2Very low34.6Very low86 Ų86134.8 Ų134.846%0.4668%0.676SS.*Hα-helixtrans-73.6-37.5176.2-72.7-26.7000113V1007 D1008 Q1013 Y1014 Q1015V1007-N1011 PolarHBondContact O-N 2.94Å; V1007-N1011 VanDerWaalsContact O-N 3.14Å; D1008-N1011 PolarHBondContact O-N 3.47Å; N1011-Q1013 PolarHBondContact O-N 2.98Å; N1011-Q1013 VanDerWaalsContact O-N 3.16Å; N1011-Y1014 PolarHBondContact O-N 3.28Å; N1011-Q1015 PolarHBondContact O-N 3.23Å
1012F36.9Very low34.6Very low149 Ų149137.6 Ų137.665%0.65469%0.685SS**THydrogen-bonded Turntrans-65.4-19.6-176.9-155.9-88.5000113.7D1008D1008-F1012 VanDerWaalsContact O-CB 3.28Å; D1008-F1012 WeakPolarHBondContact O-CB 3.48Å; D1008-F1012 PolarHBondContact O-N 3.33Å
1013Q40.5Very low34.6Very low121 Ų121135.9 Ų135.957%0.56569%0.689SS**THydrogen-bonded Turntrans-96.4-6.5172.7-74.6-70.5-89.300114.2N1011 E1016N1011-Q1013 PolarHBondContact O-N 2.98Å; N1011-Q1013 VanDerWaalsContact O-N 3.16Å; Q1013-E1016 PolarHBondContact NE2-OE2 3.3Å
1014Y33.4Very low34.5Very low196 Ų196136.3 Ų136.377%0.76969%0.689SS**THydrogen-bonded Turntrans-100.3-10.3178-111.2-89.4000114.1N1011N1011-Y1014 PolarHBondContact O-N 3.28Å
1015Q34Very low34.2Very low144 Ų144138.6 Ų138.667%0.67370%0.701SS**SBendtrans-98.3-27.7177.8-69-174.3-57.400114.6N1011 I1017 H1018N1011-Q1015 PolarHBondContact O-N 3.23Å; Q1015-I1017 PolarHBondContact O-N 2.9Å; Q1015-H1018 PolarHBondContact O-N 3.48Å
1016E33Very low33.9Very low136 Ų136140.8 Ų140.864%0.63671%0.708SS**THydrogen-bonded Turntrans-64.7-3.5-177.4-74.8-164114.800115.8Q1013Q1013-E1016 PolarHBondContact NE2-OE2 3.3Å
1017I32Very low33.5Very low155 Ų155143.2 Ų143.280%0.79572%0.716SS**THydrogen-bonded Turntrans-112.9-9.3-176.7-63.1179.9000112.7Q1015Q1015-I1017 PolarHBondContact O-N 2.9Å
1018H32.4Very low33.2Very low161 Ų161147.1 Ų147.175%0.74573%0.728SS**THydrogen-bonded Turntrans-103.2-5.2-176.9-119.5-73.9000115.7Q1015Q1015-H1018 PolarHBondContact O-N 3.48Å
1019E30.5Very low33.2Very low174 Ų174147.6 Ų147.681%0.81374%0.736SS**SBendtrans-11378177.2-69-172158.800112.4
1020K32Very low32.9Very low211 Ų211144.8 Ų144.892%0.91773%0.733SS**  trans-160.824.1162.5-115.1144.4-164.4152.80115.3
1021S26.6Very low32.5Very low109 Ų109148 Ų14876%0.76274%0.743SS**  trans-114.341.3-178.959.70000112.8
1022E31.7Very low32.4Very low190 Ų190151.5 Ų151.589%0.88876%0.757SS**  trans-124.2131.5171.7-66.5-161.7144.600111
1023T31.4Very low32.3Very low134 Ų134151.1 Ų151.182%0.82276%0.757SS**  trans-91.8151.1-179.753.20000111.6
1024P29.5Very low32.1Very low110 Ų110153.7 Ų153.771%0.71477%0.766SS**  -137.3152.6122.436.9-27.4000114.5
1025N26.3Very low32.2Very low153 Ų153151.2 Ų151.282%0.81876%0.764SS**  trans-76126.6169.7-67.7-60.4000110.9
1026L31.1Very low32.3Very low155 Ų155151.2 Ų151.281%0.81277%0.767SS**  trans-140.693.5166.1-79.4168.9000107.9
1027L29Very low32.6Very low162 Ų162149.9 Ų149.985%0.84877%0.768SS**  69.2132.490.3-104.875.2000116.1
1028H33Very low32.8Very low175 Ų175147.3 Ų147.381%0.8176%0.76SS**  trans-95.2144.1-168.6-154.2-82.9000112.8
1029P36.1Very low33Very low104 Ų104146.2 Ų146.268%0.67576%0.76SS**  trans-145.3158.6134.937-22.7000112.8
1030T31.8Very low33.4Very low108 Ų108144.4 Ų144.466%0.66376%0.755SS**  cis-168.3-177.5-13.325.80000107.5
1031F32.6Very low33.7Very low175 Ų175139.2 Ų139.277%0.76874%0.741SS**  trans75.4132.1173.2-80.4-104.8000116.7
1032E37.4Very low34Very low159 Ų159140.5 Ų140.574%0.74374%0.74SS**  cis-141.8170.1-4.2-157.7162.4-162.900113.1
1033Q35.1Very low33.9Very low142 Ų142136.2 Ų136.266%0.66473%0.731SS**  trans-71.3172.2-166.4-51.4174.2-9.700112.9
1034K36.3Very low33.9Very low174 Ų174135.2 Ų135.276%0.75773%0.725SS**  cis-171.9160.538.3-143.9151.8-173.2144.70114.4
1035M34.5Very low33.9Very low145 Ų145135.6 Ų135.671%0.71473%0.725SS**  trans82.2105.1158.5-59.8-16268.600122
1036L36.5Very low34.1Very low144 Ų144136 Ų13675%0.75472%0.722SS**  62.2141.5128.6-80.370.8000120.1
1037V38.4Very low34Very low107 Ų107134.7 Ų134.765%0.64871%0.711SS**  cis-161.2127.2-141120000105.2
1038T36.8Very low34.1Very low101 Ų101134.3 Ų134.362%0.6271%0.705SS**  44140.610187.10000114.1
1039D37.1Very low34Very low139 Ų139130.6 Ų130.674%0.74370%0.699SS**  cis-159170.427.1-77.5-70.7000108.9
1040D37.4Very low33.7Very low135 Ų135132.7 Ų132.772%0.72270%0.703SS**  cis-171.4175.4-31.3-16410.2000109.4
1041V39.6Very low33.7Very low103 Ų103134.1 Ų134.162%0.62471%0.706SS**  trans67.1102.3150.5164.10000121.3
1042N32.1Very low33.7Very low136 Ų136132.2 Ų132.273%0.72770%0.704SS**  61.6118.9123.5-61-23.2000124.9
1043S29.9Very low33.5Very low100 Ų100132.6 Ų132.670%0.69971%0.707SS**  96.7154112740000123.6
1044T31.1Very low33.9Very low113 Ų113132.9 Ų132.969%0.69371%0.713SS**  trans68.4107.215542.20000121.2
1045T29.9Very low34.3Very low117 Ų117130.2 Ų130.272%0.71871%0.714SS**  64.2142.2126.959.70000122
1046H31.2Very low34.5Very low163 Ų163130.4 Ų130.476%0.75572%0.717SS**  trans61.2148.5164.5-85.4-100.3000114.3
1047E28.4Very low34.6Very low126 Ų126131 Ų13159%0.58972%0.716SS**  cis171162-15-147.3-173.8-174.100103.8
1048Q31.6Very low34.9Very low155 Ų155130.3 Ų130.372%0.72471%0.713SS**  trans64.1164.2159.5-56.5175.243.100118.6
1049S31Very low35.3Very low97 Ų97132 Ų13268%0.67872%0.719SS**  trans52.7104.7162.436.60000119.1
1050I29.9Very low35.2Very low148 Ų148134.2 Ų134.276%0.75972%0.722SS**  78.8119.161.6-64.2163.1000113.4
1051N32Very low35.7Very low137 Ų137133.8 Ų133.873%0.73373%0.727SS**  trans89.4147.6147.1-84.4-7.8000124.5
1052L32Very low35.4Very low136 Ų136134 Ų13471%0.71273%0.733SS**  trans71.1138.7147.4-91.860.3000119
1053M32.4Very low35.9Very low167 Ų167133.5 Ų133.582%0.82374%0.737SS**  cis-169.3166.6-23.7-128.5177.4-178.300112.3
1054N44.2Very low36.1Very low147 Ų147133.3 Ų133.379%0.78674%0.736SS**  trans-80.9168.9163-54.9-28.5000111.3
1055P44.9Very low36.1Very low118 Ų118134.4 Ų134.477%0.76674%0.737SS**  -143-168.992.236.1-17.1000111.9
1056L39Very low36.1Very low150 Ų150137.6 Ų137.679%0.78574%0.742SS**  cis-124.6177.46.6-75.1165.1000109.5
1057E37.8Very low36.2Very low156 Ų156134.2 Ų134.273%0.72974%0.736SS**  cis81.7149.725-89.5-162-151.200117.4
1058P45.2Very low36.4Very low92 Ų92135.7 Ų135.760%0.59775%0.748SS**  cis-136.6178.816.836.6-15.6000118.6
1059N44.3Very low36.6Very low137 Ų137132.8 Ų132.873%0.73375%0.745SS**  trans124.395145.6-62.8-40.9000121
1060F35.7Very low36.7Very low185 Ų185133.3 Ų133.381%0.81175%0.749SS**  trans1.5164.9134.5-64.7-80.6000122.9
1061P46.6Very low36.8Very low126 Ų126135.4 Ų135.482%0.81876%0.755SS**  cis-133.4-175.815.342.6-25.2000117.5
1062S34.6Very low36.9Very low107 Ų107140.7 Ų140.775%0.74878%0.781SS**  trans-109.6172.3179.560.10000113.6
1063P41.5Very low37.2Very low126 Ų126140.9 Ų140.982%0.81878%0.784SS**  -146.2178.59641.3-26.2000115.7
1064S33.8Very low37.4Very low96 Ų96139.5 Ų139.567%0.67178%0.782SS**  trans-92.6144.4-179.2530000114.7
1065N31.4Very low37.1Very low137 Ų137139.1 Ų139.173%0.73378%0.782SS**  174134.9115.3-91.6-28.3000116.4
1066F29.8Very low36.6Very low184 Ų184140.4 Ų140.481%0.80778%0.783SS**  trans62.7123.3149-81.2-91.7000124.9
1067S33.2Very low36.5Very low91 Ų91139.8 Ų139.864%0.63678%0.783SS**  trans73111.5139.757.80000123.2
1068N33.8Very low36.4Very low157 Ų157138.7 Ų138.784%0.8479%0.786SS**  trans68.5144.6131.8-59.98.3000121
1069S35Very low35.7Very low94 Ų94142 Ų14266%0.65780%0.8SS**  cis-171.4137.5-22.148.40000111.4
1070S33.5Very low35.1Very low109 Ų109142.4 Ų142.476%0.76281%0.805SS**  trans45.4104.1150.3610000120.8
1071E32.4Very low35Very low192 Ų192138.8 Ų138.890%0.89781%0.805SS**  -170.7106.3113.1-109.3-173.3179.800111.4
1072I34.7Very low34Very low247 Ų247140 Ų140100%1.26780%0.803SS**  -149.70120.1-61.2-162.7000105.8

Retrieved 1,072 of 1,072 residues in 100.9 ms (Link to these results)