A0A087YIB1_POEFO Loading...

Protein phosphatase 1 regulatory subunit

AlphaFold DB , UniProt , Accession A0A087YIB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,049 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
1M52.1Low75.3Confident235 Ų235134.5 Ų134.5100%1.15866%0.663SS**  094.40-65.2164.2170.800110.7
2K59.3Low76.5Confident197 Ų197129.3 Ų129.386%0.85764%0.635SS**  trans-144.6-30.3169.4-79.6-165.8178.5175.30115.5
3M53.9Low77.4Confident179 Ų179129.9 Ų129.988%0.88264%0.636SS**SBendtrans-77.6-34172.7-83.4-168.2173.500113.8D5M3-D5 PolarHBondContact O-N 3.22Å
4A56.5Low78.4Confident56 Ų56126.6 Ų126.646%0.46362%0.622SS.*Hα-helixtrans-56.5-34.7178.500000112.6A6 K7 Q8A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 2.99Å; A4-K7 PolarHBondContact O-N 3.36Å; A4-Q8 WeakPolarHBondContact O-CB 3.44Å; A4-Q8 PolarHBondContact O-N 3.43Å
5D77.4Confident79.3Confident88 Ų88129.2 Ų129.247%0.47163%0.628SS.*Hα-helixtrans-52.5-41.7-175-172.562000113.6M3 K9M3-D5 PolarHBondContact O-N 3.22Å; D5-K9 VanDerWaalsContact O-CB 3.22Å; D5-K9 WeakPolarHBondContact O-CB 3.24Å; D5-K9 VanDerWaalsContact O-CD 3.31Å; D5-K9 WeakPolarHBondContact O-CD 3.48Å; D5-K9 WeakPolarHBondContact O-CG 3.33Å; D5-K9 PolarHBondContact O-N 3.26Å; D5-K9 WeakPolarHBondContact OD1-CE 3.45Å; D5-K9 IonicContact OD1-NZ 3.61Å; D5-K9 PolarHBondContact OD1-NZ 3.42Å; D5-K9 IonicContact OD2-NZ 2.68Å; D5-K9 PolarHBondContact OD2-NZ 3.32Å
6A83.8Confident80Confident70 Ų70131.5 Ų131.558%0.57963%0.628SS**Hα-helixtrans-76.5-47.9-178.100000113A4 K9 R10A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 2.99Å; A6-K9 PolarHBondContact O-N 3.29Å; A6-R10 PolarHBondContact O-N 2.7Å
7K87.3Confident80.6Confident169 Ų169130.4 Ų130.474%0.73562%0.616SS**Hα-helixtrans-63.7-44.3176.5-73.4-166.3174.1-168.90110.8A4 K9 R10 N11A4-K7 PolarHBondContact O-N 3.36Å; K7-K9 PolarHBondContact O-N 2.69Å; K7-R10 PolarHBondContact O-N 2.94Å; K7-N11 PolarHBondContact O-N 3.41Å; K7-N11 PolarHBondContact O-OD1 2.93Å; K7-N11 VanDerWaalsContact O-OD1 3.13Å
8Q86.7Confident81Confident112 Ų112129.1 Ų129.152%0.52361%0.613SS.*Hα-helixtrans-64.4-40.6178.5-171.4168-16.200112A4 R10 N11 E12A4-Q8 WeakPolarHBondContact O-CB 3.44Å; A4-Q8 PolarHBondContact O-N 3.43Å; Q8-R10 PolarHBondContact O-N 2.97Å; Q8-N11 PolarHBondContact O-N 2.99Å; Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.39Å; Q8-E12 PolarHBondContact O-N 2.95Å
9K89Confident81.1Confident111 Ų111125.7 Ų125.748%0.48362%0.617SS.*Hα-helixtrans-62.4-39172.4-79.1168.2-178.3163.30113.2D5 A6 K7 Q13D5-K9 VanDerWaalsContact O-CB 3.22Å; D5-K9 WeakPolarHBondContact O-CB 3.24Å; D5-K9 VanDerWaalsContact O-CD 3.31Å; D5-K9 WeakPolarHBondContact O-CD 3.48Å; D5-K9 WeakPolarHBondContact O-CG 3.33Å; D5-K9 PolarHBondContact O-N 3.26Å; D5-K9 WeakPolarHBondContact OD1-CE 3.45Å; D5-K9 IonicContact OD1-NZ 3.61Å; D5-K9 PolarHBondContact OD1-NZ 3.42Å; D5-K9 IonicContact OD2-NZ 2.68Å; D5-K9 PolarHBondContact OD2-NZ 3.32Å; A6-K9 PolarHBondContact O-N 3.29Å; K7-K9 PolarHBondContact O-N 2.69Å; K9-Q13 VanDerWaalsContact O-CB 3.28Å; K9-Q13 WeakPolarHBondContact O-CB 3.36Å; K9-Q13 PolarHBondContact O-N 3.45Å
10R90.7Very high81.5Confident166 Ų166120.8 Ų120.863%0.62660%0.595SS**Hα-helixtrans-64.7-44.4173.8-173.2171.8178.6150.8-2.3111.2A6 K7 Q8 E12 Q13 L14A6-R10 PolarHBondContact O-N 2.7Å; K7-R10 PolarHBondContact O-N 2.94Å; Q8-R10 PolarHBondContact O-N 2.97Å; R10-E12 PolarHBondContact O-N 3.46Å; R10-Q13 WeakPolarHBondContact O-CB 3.37Å; R10-Q13 PolarHBondContact O-N 3.11Å; R10-Q13 VanDerWaalsContact O-N 3.1Å; R10-L14 HydrophobicContact CG-CD1 4.35Å; R10-L14 WeakPolarHBondContact O-CG 3.27Å; R10-L14 PolarHBondContact O-N 3.34Å
11N91.4Very high81.4Confident96 Ų96123.9 Ų123.951%0.51361%0.608SS.*Hα-helixtrans-65.7-39.5178.3-67.115.4000111.8K7 Q8 Q13 L14 K15K7-N11 PolarHBondContact O-N 3.41Å; K7-N11 PolarHBondContact O-OD1 2.93Å; K7-N11 VanDerWaalsContact O-OD1 3.13Å; Q8-N11 PolarHBondContact O-N 2.99Å; N11-Q13 VanDerWaalsContact C-N 3.31Å; N11-L14 PolarHBondContact O-N 2.75Å; N11-K15 WeakPolarHBondContact O-CB 3.11Å; N11-K15 WeakPolarHBondContact O-CG 3.32Å; N11-K15 PolarHBondContact O-N 3.46Å
12E89.8Confident82.6Confident72 Ų72117.7 Ų117.734%0.33658%0.584SS.*Hα-helixtrans-70.5-24.7171.7-69.1-177.9-153.200113.3Q8 R10 R16Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.39Å; Q8-E12 PolarHBondContact O-N 2.95Å; R10-E12 PolarHBondContact O-N 3.46Å; E12-R16 VanDerWaalsContact C-NH1 3.34Å; E12-R16 VanDerWaalsContact CB-NH1 3.28Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 3.36Å; E12-R16 PolarHBondContact O-NH1 3.45Å; E12-R16 IonicContact OE2-CZ 3.59Å; E12-R16 IonicContact OE2-NH1 3.79Å; E12-R16 PolarHBondContact OE2-NH1 2.87Å; E12-R16 IonicContact OE2-NH2 3.22Å; E12-R16 PolarHBondContact OE2-NH2 3.37Å
13Q88.9Confident83.8Confident138 Ų138110.9 Ų110.965%0.64556%0.557SS**Hα-helixtrans-73.3-43.1173.1-177.2175.7-9.300110.3K9 R10 N11 K15 R16 W17K9-Q13 VanDerWaalsContact O-CB 3.28Å; K9-Q13 WeakPolarHBondContact O-CB 3.36Å; K9-Q13 PolarHBondContact O-N 3.45Å; R10-Q13 WeakPolarHBondContact O-CB 3.37Å; R10-Q13 PolarHBondContact O-N 3.11Å; R10-Q13 VanDerWaalsContact O-N 3.1Å; N11-Q13 VanDerWaalsContact C-N 3.31Å; Q13-K15 PolarHBondContact O-N 3.05Å; Q13-R16 CarbonylContact O-C 3.58Å; Q13-R16 WeakPolarHBondContact O-CA 3.49Å; Q13-R16 PolarHBondContact O-N 3.12Å; Q13-W17 PolarHBondContact O-N 2.89Å
14L91.3Very high85Confident84 Ų84109 Ų10944%0.4455%0.546SS..Hα-helixtrans-60.7-42.5172.3-68.8166.7000111.3R10 N11 R16 W17 L18R10-L14 HydrophobicContact CG-CD1 4.35Å; R10-L14 WeakPolarHBondContact O-CG 3.27Å; R10-L14 PolarHBondContact O-N 3.34Å; N11-L14 PolarHBondContact O-N 2.75Å; L14-R16 PolarHBondContact O-N 2.65Å; L14-R16 VanDerWaalsContact O-N 3.11Å; L14-W17 PolarHBondContact O-N 3.08Å; L14-L18 PolarHBondContact O-N 3.25Å
15K91.8Very high85.4Confident165 Ų165114.9 Ų114.972%0.71756%0.564SS**Hα-helixtrans-65-8.2171.8-72.5-175.8177.8-167.30115.4N11 Q13N11-K15 WeakPolarHBondContact O-CB 3.11Å; N11-K15 WeakPolarHBondContact O-CG 3.32Å; N11-K15 PolarHBondContact O-N 3.46Å; Q13-K15 PolarHBondContact O-N 3.05Å
16R90.4Very high84.8Confident166 Ų166114.9 Ų114.963%0.62657%0.568SS**Hα-helixtrans-107.5-8.6170.7-67.3173.5-166.6107.81112.6E12 Q13 L14E12-R16 VanDerWaalsContact C-NH1 3.34Å; E12-R16 VanDerWaalsContact CB-NH1 3.28Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 3.36Å; E12-R16 PolarHBondContact O-NH1 3.45Å; E12-R16 IonicContact OE2-CZ 3.59Å; E12-R16 IonicContact OE2-NH1 3.79Å; E12-R16 PolarHBondContact OE2-NH1 2.87Å; E12-R16 IonicContact OE2-NH2 3.22Å; E12-R16 PolarHBondContact OE2-NH2 3.37Å; Q13-R16 CarbonylContact O-C 3.58Å; Q13-R16 WeakPolarHBondContact O-CA 3.49Å; Q13-R16 PolarHBondContact O-N 3.12Å; L14-R16 PolarHBondContact O-N 2.65Å; L14-R16 VanDerWaalsContact O-N 3.11Å
17W90.1Very high83.6Confident112 Ų112117 Ų11742%0.42458%0.577SS.*Hα-helixtrans-89.7-41.1172.3174.580.8000110.3Q13 L14 G19 S20 T22 D23Q13-W17 PolarHBondContact O-N 2.89Å; L14-W17 PolarHBondContact O-N 3.08Å; W17-G19 PolarHBondContact O-N 2.84Å; W17-S20 WeakPolarHBondContact O-CB 3.26Å; W17-S20 PolarHBondContact O-N 3.39Å; W17-S20 PolarHBondContact O-OG 3.14Å; W17-T22 VanDerWaalsContact CD1-OG1 3.23Å; W17-T22 WeakPolarHBondContact CZ2-O 3.28Å; W17-T22 PolarHBondContact NE1-O 3.37Å; W17-T22 PolarHBondContact NE1-OG1 3.01Å; W17-D23 HydrophobicContact CD2-CB 4.11Å; W17-D23 HydrophobicContact CE3-CB 4.28Å; W17-D23 HydrophobicContact CH2-CB 4.13Å; W17-D23 WeakPolarHBondContact CH2-OD1 3.26Å; W17-D23 HydrophobicContact CZ2-CB 3.96Å; W17-D23 HydrophobicContact CZ3-CB 4.29Å; W17-D23 VanDerWaalsContact CZ3-OD1 3.28Å; W17-D23 WeakPolarHBondContact CZ3-OD1 3.18Å; W17-D23 WeakPolarHBondContact O-CB 3.43Å
18L87.9Confident82.2Confident107 Ų107115 Ų11556%0.5658%0.578SS**THydrogen-bonded Turntrans-53.7126.7166.5-69166.6000110.2L14 S20L14-L18 PolarHBondContact O-N 3.25Å; L18-S20 VanDerWaalsContact C-N 3.35Å
19G82.8Confident81Confident66 Ų66116 Ų11668%0.6859%0.586SS**THydrogen-bonded Turntrans78.18.2-173.500000115.6W17 D23W17-G19 PolarHBondContact O-N 2.84Å; G19-D23 PolarHBondContact N-OD2 2.66Å
20S88.4Confident79.4Confident26 Ų26119 Ų11918%0.18260%0.599CS.*SBendtrans-88.2166.2177.676.10000113.4W17 L18 T22 D23 Q24W17-S20 WeakPolarHBondContact O-CB 3.26Å; W17-S20 PolarHBondContact O-N 3.39Å; W17-S20 PolarHBondContact O-OG 3.14Å; L18-S20 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.34Å; S20-T22 PolarHBondContact OG-OG1 3.36Å; S20-D23 PolarHBondContact O-N 3.26Å; S20-D23 PolarHBondContact OG-N 3.02Å; S20-Q24 PolarHBondContact O-N 2.64Å; S20-Q24 VanDerWaalsContact O-N 3.14Å
21E80.8Confident77.9Confident186 Ų186121.1 Ų121.187%0.86961%0.613SS**THydrogen-bonded Turntrans-59.5-11.2169.8-59.6-177.9161.300113.9
22T76.7Confident76.6Confident105 Ų105125.7 Ų125.764%0.64463%0.628SS**THydrogen-bonded Turntrans-1061.6176.547.50000114.2W17 S20W17-T22 VanDerWaalsContact CD1-OG1 3.23Å; W17-T22 WeakPolarHBondContact CZ2-O 3.28Å; W17-T22 PolarHBondContact NE1-O 3.37Å; W17-T22 PolarHBondContact NE1-OG1 3.01Å; S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.34Å; S20-T22 PolarHBondContact OG-OG1 3.36Å
23D83.8Confident75.3Confident54 Ų54131.8 Ų131.829%0.28965%0.654SS.*THydrogen-bonded Turntrans-108.9-24.7173.1166.381.8000110.9W17 G19 S20 E25W17-D23 HydrophobicContact CD2-CB 4.11Å; W17-D23 HydrophobicContact CE3-CB 4.28Å; W17-D23 HydrophobicContact CH2-CB 4.13Å; W17-D23 WeakPolarHBondContact CH2-OD1 3.26Å; W17-D23 HydrophobicContact CZ2-CB 3.96Å; W17-D23 HydrophobicContact CZ3-CB 4.29Å; W17-D23 VanDerWaalsContact CZ3-OD1 3.28Å; W17-D23 WeakPolarHBondContact CZ3-OD1 3.18Å; W17-D23 WeakPolarHBondContact O-CB 3.43Å; G19-D23 PolarHBondContact N-OD2 2.66Å; S20-D23 PolarHBondContact O-N 3.26Å; S20-D23 PolarHBondContact OG-N 3.02Å; D23-E25 PolarHBondContact O-N 2.93Å
24Q79.3Confident74.8Confident140 Ų140131 Ų13165%0.65466%0.659SS**SBendtrans-68.7112.5165.4-67.6-176.7-100111.3S20S20-Q24 PolarHBondContact O-N 2.64Å; S20-Q24 VanDerWaalsContact O-N 3.14Å
25E65.2Low74.6Confident180 Ų180137.1 Ų137.184%0.84168%0.682SS**  trans-56.8129.2168.7-66.5-166.3150.900110.7D23 P27D23-E25 PolarHBondContact O-N 2.93Å; E25-P27 WeakPolarHBondContact O-CD 3.44Å
26P66Low74.6Confident87 Ų87134.4 Ų134.457%0.56568%0.679SS**  trans-69.5119.5-178.426.5-32.9000110.1V28 L29P26-V28 PolarHBondContact O-N 3.28Å; P26-L29 HydrophobicContact CB-CD2 4.42Å; P26-L29 HydrophobicContact CG-CD2 4.04Å
27P57.6Low74.5Confident116 Ų116134.1 Ų134.175%0.75368%0.682SS**SBendtrans-70.189.2-169.927.2-35.7000111.9E25E25-P27 WeakPolarHBondContact O-CD 3.44Å
28V57.7Low74.7Confident125 Ų125136.4 Ų136.476%0.75870%0.695SS**SBendtrans57.1127.2-164.9-175.20000112.6P26 K30P26-V28 PolarHBondContact O-N 3.28Å; V28-K30 VanDerWaalsContact C-N 3.25Å; V28-K30 PolarHBondContact O-N 3.45Å
29L60.8Low74.9Confident135 Ų135135.9 Ų135.971%0.70769%0.693SS**  trans-63.983171.4-70.3175.6000111P26 K31P26-L29 HydrophobicContact CB-CD2 4.42Å; P26-L29 HydrophobicContact CG-CD2 4.04Å; L29-K31 WeakPolarHBondContact O-CG 3.38Å; L29-K31 PolarHBondContact O-N 3.33Å
30K55.8Low75.4Confident174 Ų174137.3 Ų137.376%0.75769%0.685SS**  trans-54.1107.5174.5-70.5-179.2-178.4175.40108.1V28 K32V28-K30 VanDerWaalsContact C-N 3.25Å; V28-K30 PolarHBondContact O-N 3.45Å; K30-K32 PolarHBondContact O-N 2.87Å
31K59.5Low75.6Confident210 Ų210136.5 Ų136.591%0.91368%0.68SS**  trans-6469.8-164.1-63.2-174.7178.8-177.50113.2L29 K33L29-K31 WeakPolarHBondContact O-CG 3.38Å; L29-K31 PolarHBondContact O-N 3.33Å; K31-K33 PolarHBondContact O-N 3.34Å
32K63.7Low76.2Confident191 Ų191130 Ų13083%0.8366%0.659SS**  trans-53.4118.9159.2-69.5172.8-177.91690105.8K30 T34K30-K32 PolarHBondContact O-N 2.87Å; K32-T34 PolarHBondContact O-N 3.22Å
33K63.7Low77.1Confident200 Ų200127 Ų12787%0.8764%0.64SS**  trans-50111.4-176.4-64-173.8178.8-173.20109.8K31 K35K31-K33 PolarHBondContact O-N 3.34Å; K33-K35 PolarHBondContact O-N 2.75Å
34T77.9Confident77.7Confident123 Ų123124.5 Ų124.576%0.75563%0.627SS**  trans-61.8120.4178.7350000108.1K32K32-T34 PolarHBondContact O-N 3.22Å
35K86.7Confident78.5Confident212 Ų212119.3 Ų119.392%0.92260%0.604SS**SBendtrans-82.1-25.7179.8-67.1-174.2178.6-177.60112.2K33K33-K35 PolarHBondContact O-N 2.75Å
36V91.1Very high79.9Confident108 Ų108113.6 Ų113.666%0.65559%0.587SS**  trans-79.9133.1169.7-176.90000107.6
37K89.6Confident81.4Confident160 Ų160109.8 Ų109.870%0.69656%0.563SS**  trans-128156.1163.3-73.5-176.3156.6-146.60107.1
38F93.3Very high83.2Confident159 Ų159104.5 Ų104.570%0.69753%0.528SS*.  trans-95.2-179.1163.6-59.6-77.6000109.3V43F38-V43 HydrophobicContact CB-CG2 3.73Å
39D93.4Very high85Confident97 Ų97101.6 Ų101.652%0.51951%0.514SS..  trans-66.6137.6168179.5-89.4000110G41 A42 V43D39-G41 VanDerWaalsContact C-N 3.29Å; D39-G41 PolarHBondContact O-N 3.08Å; D39-G41 WeakPolarHBondContact OD1-CA 3.13Å; D39-G41 PolarHBondContact OD1-N 3.38Å; D39-A42 HydrophobicContact CB-CB 4.02Å; D39-A42 PolarHBondContact O-N 2.95Å; D39-A42 PolarHBondContact OD1-N 3.39Å; D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 2.86Å
40D92Very high86.6Confident96 Ų9699.1 Ų99.151%0.51351%0.508SS..Hα-helixtrans-66.7-29.2-172.2-66.9-55000112.1F44D40-F44 WeakPolarHBondContact O-CB 3.37Å; D40-F44 PolarHBondContact O-N 2.86Å
41G93.3Very high88.4Confident8 Ų892.5 Ų92.58%0.08249%0.489CS..Hα-helixtrans-75.1-37.6173.600000112.9D39 V43 F44 L45D39-G41 VanDerWaalsContact C-N 3.29Å; D39-G41 PolarHBondContact O-N 3.08Å; D39-G41 WeakPolarHBondContact OD1-CA 3.13Å; D39-G41 PolarHBondContact OD1-N 3.38Å; G41-V43 VanDerWaalsContact C-N 3.31Å; G41-V43 PolarHBondContact O-N 3.48Å; G41-F44 PolarHBondContact O-N 3.48Å; G41-L45 PolarHBondContact O-N 3.37Å
42A93.4Very high90Very high51 Ų5186 Ų8642%0.42146%0.464SS..Hα-helixtrans-65.4-32.4171.800000112.9D39 A46D39-A42 HydrophobicContact CB-CB 4.02Å; D39-A42 PolarHBondContact O-N 2.95Å; D39-A42 PolarHBondContact OD1-N 3.39Å; A42-A46 WeakPolarHBondContact O-CB 3.31Å; A42-A46 PolarHBondContact O-N 3.17Å
43V95.5Very high91.5Very high41 Ų4179.5 Ų79.525%0.24844%0.44CS..Hα-helixtrans-70.6-43.6171.3177.20000111F38 D39 G41 A46 A47 L59F38-V43 HydrophobicContact CB-CG2 3.73Å; D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 2.86Å; G41-V43 VanDerWaalsContact C-N 3.31Å; G41-V43 PolarHBondContact O-N 3.48Å; V43-A46 PolarHBondContact O-N 3.09Å; V43-A47 PolarHBondContact O-N 3.44Å; V43-L59 HydrophobicContact CG1-CD1 3.88Å; V43-L59 HydrophobicContact CG1-CD2 4.19Å
44F96.8Very high93Very high1 Ų177.6 Ų77.60%0.00444%0.435CS..Hα-helixtrans-58.6-53178.9173-98.4000112.2D40 G41 A46 A47 C48 V56 L60 A64 I66 A76 L92D40-F44 WeakPolarHBondContact O-CB 3.37Å; D40-F44 PolarHBondContact O-N 2.86Å; G41-F44 PolarHBondContact O-N 3.48Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.99Å; F44-A47 PolarHBondContact O-N 3.33Å; F44-C48 PolarHBondContact O-N 3.19Å; F44-C48 VanDerWaalsContact O-N 3.1Å; F44-C48 PolarHBondContact O-SG 3.46Å; F44-V56 HydrophobicContact CD2-CG1 4.29Å; F44-V56 HydrophobicContact CE2-CG1 3.69Å; F44-L60 HydrophobicContact CE2-CD2 3.78Å; F44-L60 HydrophobicContact CE2-CG 4.23Å; F44-L60 HydrophobicContact CZ-CD2 4.46Å; F44-A64 HydrophobicContact CB-CB 4.48Å; F44-A64 HydrophobicContact CD2-CB 4.12Å; F44-A64 HydrophobicContact CG-CB 4.47Å; F44-I66 HydrophobicContact CZ-CB 4.34Å; F44-I66 HydrophobicContact CZ-CG1 3.99Å; F44-A76 HydrophobicContact CE1-CB 3.68Å; F44-A76 HydrophobicContact CZ-CB 4.11Å; F44-L92 HydrophobicContact CZ-CD2 4.23Å
45L95.9Very high93.8Very high32 Ų3274.7 Ų74.717%0.16841%0.413CS..Hα-helixtrans-57.8-43.6177-68.5178.2000112G41 A47 C48 S49 Y68 N70 A76G41-L45 PolarHBondContact O-N 3.37Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.37Å; L45-C48 PolarHBondContact O-N 2.89Å; L45-S49 PolarHBondContact O-N 3.08Å; L45-S49 PolarHBondContact O-OG 2.91Å; L45-Y68 HydrophobicContact CD1-CD1 3.77Å; L45-Y68 HydrophobicContact CD1-CE1 3.7Å; L45-Y68 HydrophobicContact CD2-CD1 4.36Å; L45-Y68 HydrophobicContact CG-CD1 3.82Å; L45-Y68 HydrophobicContact CG-CE1 4.18Å; L45-N70 HydrophobicContact CD1-CB 3.95Å; L45-A76 HydrophobicContact CD2-CB 4Å
46A95.1Very high94.3Very high59 Ų5964.6 Ų64.649%0.48837%0.369SS..Hα-helixtrans-64.5-34.9-179.700000113.2A42 V43 F44 S50A42-A46 WeakPolarHBondContact O-CB 3.31Å; A42-A46 PolarHBondContact O-N 3.17Å; V43-A46 PolarHBondContact O-N 3.09Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.99Å; A46-S50 WeakPolarHBondContact O-CB 3.34Å; A46-S50 PolarHBondContact O-N 3.14Å; A46-S50 VanDerWaalsContact O-N 3.1Å; A46-S50 PolarHBondContact O-OG 3.28Å
47A96.2Very high94.5Very high8 Ų862.9 Ų62.97%0.06636%0.355CS..Hα-helixtrans-71.6-36.1176.100000112.2V43 F44 L45 S50 G51 D52 E55 V56 L59V43-A47 PolarHBondContact O-N 3.44Å; F44-A47 PolarHBondContact O-N 3.33Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.37Å; A47-S50 PolarHBondContact O-N 3.07Å; A47-S50 PolarHBondContact O-OG 2.89Å; A47-S50 VanDerWaalsContact O-OG 3.1Å; A47-G51 PolarHBondContact O-N 3.42Å; A47-D52 PolarHBondContact O-N 3.12Å; A47-E55 HydrophobicContact CB-CG 4.35Å; A47-V56 HydrophobicContact CB-CG2 3.6Å; A47-L59 HydrophobicContact CB-CD1 4.12Å
48C96.6Very high94.8Very high4 Ų458.4 Ų58.43%0.02733%0.334CS..Hα-helixtrans-64.4-49.7171.8-59.70000111.1F44 L45 S50 G51 V56 A76 M88F44-C48 PolarHBondContact O-N 3.19Å; F44-C48 VanDerWaalsContact O-N 3.1Å; F44-C48 PolarHBondContact O-SG 3.46Å; L45-C48 PolarHBondContact O-N 2.89Å; C48-S50 PolarHBondContact O-N 3.36Å; C48-G51 PolarHBondContact O-N 3Å; C48-V56 HydrophobicContact CB-CG2 4.47Å; C48-V56 VanDerWaalsContact SG-CG2 3.6Å; C48-A76 HydrophobicContact CB-CB 3.89Å; C48-M88 HydrophobicContact CB-SD 4.16Å
49S94.3Very high94.9Very high65 Ų6551.2 Ų51.246%0.45530%0.303SS..Hα-helixtrans-65.3-16.5177.2-640000114.4L45L45-S49 PolarHBondContact O-N 3.08Å; L45-S49 PolarHBondContact O-OG 2.91Å
50S93.8Very high95Very high83 Ų8348.4 Ų48.458%0.5829%0.288SS*.THydrogen-bonded Turntrans-94.71.9172.368.80000114.1A46 A47 C48 D52A46-S50 WeakPolarHBondContact O-CB 3.34Å; A46-S50 PolarHBondContact O-N 3.14Å; A46-S50 VanDerWaalsContact O-N 3.1Å; A46-S50 PolarHBondContact O-OG 3.28Å; A47-S50 PolarHBondContact O-N 3.07Å; A47-S50 PolarHBondContact O-OG 2.89Å; A47-S50 VanDerWaalsContact O-OG 3.1Å; C48-S50 PolarHBondContact O-N 3.36Å; S50-D52 PolarHBondContact O-N 3.37Å
51G93.7Very high95.2Very high35 Ų3550.8 Ų50.836%0.36130%0.301SS..THydrogen-bonded Turntrans70.512.7-177.200000115.1A47 C48 T53A47-G51 PolarHBondContact O-N 3.42Å; C48-G51 PolarHBondContact O-N 3Å; G51-T53 VanDerWaalsContact C-N 3.33Å; G51-T53 PolarHBondContact O-N 3.2Å
52D94.6Very high95.2Very high72 Ų7258.9 Ų58.939%0.38533%0.329SS..  trans-84.374-173.6-170.7-15.4000110.9A47 S50 E54 E55 V56A47-D52 PolarHBondContact O-N 3.12Å; S50-D52 PolarHBondContact O-N 3.37Å; D52-E54 PolarHBondContact O-N 3.17Å; D52-E54 PolarHBondContact OD1-N 3.34Å; D52-E55 HydrophobicContact CB-CB 4.32Å; D52-E55 VanDerWaalsContact CG-CB 3.47Å; D52-E55 PolarHBondContact O-N 2.82Å; D52-E55 WeakPolarHBondContact OD1-CB 3.28Å; D52-E55 PolarHBondContact OD1-N 2.81Å; D52-E55 WeakPolarHBondContact OD2-CB 3.45Å; D52-V56 VanDerWaalsContact O-CG2 3.26Å; D52-V56 WeakPolarHBondContact O-CG2 3.42Å; D52-V56 PolarHBondContact O-N 3.31Å
53T95.4Very high95.2Very high55 Ų5559.7 Ų59.734%0.33734%0.341SS..Hα-helixtrans-59.1-29.9-179.754.20000112.7G51 L57 M88 F91G51-T53 VanDerWaalsContact C-N 3.33Å; G51-T53 PolarHBondContact O-N 3.2Å; T53-L57 WeakPolarHBondContact O-CB 3.29Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 2.87Å; T53-L57 PolarHBondContact O-N 2.86Å; T53-M88 HydrophobicContact CG2-CE 3.64Å; T53-F91 HydrophobicContact CG2-CB 4.43Å; T53-F91 HydrophobicContact CG2-CD1 4.05Å; T53-F91 HydrophobicContact CG2-CD2 3.97Å; T53-F91 HydrophobicContact CG2-CE1 4.36Å; T53-F91 HydrophobicContact CG2-CE2 4.27Å; T53-F91 HydrophobicContact CG2-CG 3.87Å; T53-F91 HydrophobicContact CG2-CZ 4.47Å
54E95.1Very high95.2Very high160 Ų16058.8 Ų58.875%0.74834%0.338SS*.Hα-helixtrans-65.4-50.1174.3-75.2-164.2-16500112.1D52 V56 R58D52-E54 PolarHBondContact O-N 3.17Å; D52-E54 PolarHBondContact OD1-N 3.34Å; E54-V56 VanDerWaalsContact C-N 3.35Å; E54-R58 VanDerWaalsContact O-CB 3.27Å; E54-R58 WeakPolarHBondContact O-CB 3.46Å; E54-R58 PolarHBondContact O-N 3.16Å
55E94.4Very high95.1Very high63 Ų6363.3 Ų63.329%0.29436%0.362SS..Hα-helixtrans-68.7-34.1177.2-178.568.5179.800111.3A47 D52 R58 L59A47-E55 HydrophobicContact CB-CG 4.35Å; D52-E55 HydrophobicContact CB-CB 4.32Å; D52-E55 VanDerWaalsContact CG-CB 3.47Å; D52-E55 PolarHBondContact O-N 2.82Å; D52-E55 WeakPolarHBondContact OD1-CB 3.28Å; D52-E55 PolarHBondContact OD1-N 2.81Å; D52-E55 WeakPolarHBondContact OD2-CB 3.45Å; E55-R58 CarbonylContact O-C 3.52Å; E55-R58 PolarHBondContact O-N 3.16Å; E55-R58 IonicContact OE1-CZ 3.54Å; E55-R58 IonicContact OE1-NE 2.65Å; E55-R58 IonicContact OE1-NH2 3.98Å; E55-R58 PolarHBondContact OE1-NH2 3.44Å; E55-R58 IonicContact OE2-CZ 3.84Å; E55-R58 IonicContact OE2-NE 2.63Å; E55-R58 PolarHBondContact OE2-NE 2.82Å; E55-R58 IonicContact OE2-NH2 2.71Å; E55-R58 PolarHBondContact OE2-NH2 3.41Å; E55-R58 VanDerWaalsContact OE2-NH2 3.08Å; E55-L59 HydrophobicContact CG-CD1 4.06Å; E55-L59 HydrophobicContact CG-CG 4.45Å; E55-L59 WeakPolarHBondContact O-CB 3.44Å; E55-L59 WeakPolarHBondContact O-CD1 3.28Å; E55-L59 WeakPolarHBondContact O-CG 3.25Å; E55-L59 PolarHBondContact O-N 3.01Å
56V96.6Very high95.2Very high0 Ų062.5 Ų62.50%036%0.358CS..Hα-helixtrans-63.3-50.9174178.70000111.4F44 A47 C48 D52 E54 R58 L59 L60 F91F44-V56 HydrophobicContact CD2-CG1 4.29Å; F44-V56 HydrophobicContact CE2-CG1 3.69Å; A47-V56 HydrophobicContact CB-CG2 3.6Å; C48-V56 HydrophobicContact CB-CG2 4.47Å; C48-V56 VanDerWaalsContact SG-CG2 3.6Å; D52-V56 VanDerWaalsContact O-CG2 3.26Å; D52-V56 WeakPolarHBondContact O-CG2 3.42Å; D52-V56 PolarHBondContact O-N 3.31Å; E54-V56 VanDerWaalsContact C-N 3.35Å; V56-R58 PolarHBondContact O-N 2.93Å; V56-L59 WeakPolarHBondContact O-CB 3.23Å; V56-L59 PolarHBondContact O-N 3.39Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.46Å; V56-L60 WeakPolarHBondContact O-CG 3.23Å; V56-L60 PolarHBondContact O-N 3.34Å; V56-F91 HydrophobicContact CB-CE1 4.1Å; V56-F91 HydrophobicContact CB-CZ 4.38Å; V56-F91 HydrophobicContact CG1-CE1 3.64Å; V56-F91 HydrophobicContact CG1-CZ 4.17Å
57L96.3Very high95.2Very high71 Ų7161.8 Ų61.837%0.37235%0.346SS..Hα-helixtrans-49.4-50.2170.6-80.4175.7000110.7T53 L59 L60 D61 F91 H95T53-L57 WeakPolarHBondContact O-CB 3.29Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 2.87Å; T53-L57 PolarHBondContact O-N 2.86Å; L57-L59 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 3.12Å; L57-D61 WeakPolarHBondContact O-CB 3.25Å; L57-D61 PolarHBondContact O-N 2.91Å; L57-F91 HydrophobicContact CD1-CE2 4.33Å; L57-F91 HydrophobicContact CD2-CE2 3.74Å; L57-F91 HydrophobicContact CD2-CZ 3.82Å; L57-F91 HydrophobicContact CG-CE2 3.72Å; L57-F91 HydrophobicContact CG-CZ 3.72Å; L57-H95 VanDerWaalsContact CD2-NE2 3.3Å; L57-H95 WeakPolarHBondContact CD2-NE2 3.48Å
58R95.6Very high95.2Very high67 Ų6765.5 Ų65.525%0.25336%0.359SS..Hα-helixtrans-64.7-26.9-177.3-152.8-150.252.937.211.2111.9E54 E55 V56 R62E54-R58 VanDerWaalsContact O-CB 3.27Å; E54-R58 WeakPolarHBondContact O-CB 3.46Å; E54-R58 PolarHBondContact O-N 3.16Å; E55-R58 CarbonylContact O-C 3.52Å; E55-R58 PolarHBondContact O-N 3.16Å; E55-R58 IonicContact OE1-CZ 3.54Å; E55-R58 IonicContact OE1-NE 2.65Å; E55-R58 IonicContact OE1-NH2 3.98Å; E55-R58 PolarHBondContact OE1-NH2 3.44Å; E55-R58 IonicContact OE2-CZ 3.84Å; E55-R58 IonicContact OE2-NE 2.63Å; E55-R58 PolarHBondContact OE2-NE 2.82Å; E55-R58 IonicContact OE2-NH2 2.71Å; E55-R58 PolarHBondContact OE2-NH2 3.41Å; E55-R58 VanDerWaalsContact OE2-NH2 3.08Å; V56-R58 PolarHBondContact O-N 2.93Å; R58-R62 VanDerWaalsContact NH1-NE 3.18Å
59L95.7Very high95.2Very high8 Ų867 Ų674%0.04237%0.372CS..Hα-helixtrans-79.1-41.4174.7-72.2164000111.8V43 A47 E55 V56 L57 D61 R62 G63 A64V43-L59 HydrophobicContact CG1-CD1 3.88Å; V43-L59 HydrophobicContact CG1-CD2 4.19Å; A47-L59 HydrophobicContact CB-CD1 4.12Å; E55-L59 HydrophobicContact CG-CD1 4.06Å; E55-L59 HydrophobicContact CG-CG 4.45Å; E55-L59 WeakPolarHBondContact O-CB 3.44Å; E55-L59 WeakPolarHBondContact O-CD1 3.28Å; E55-L59 WeakPolarHBondContact O-CG 3.25Å; E55-L59 PolarHBondContact O-N 3.01Å; V56-L59 WeakPolarHBondContact O-CB 3.23Å; V56-L59 PolarHBondContact O-N 3.39Å; L57-L59 PolarHBondContact O-N 3.22Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 2.77Å; L59-R62 WeakPolarHBondContact O-CA 3.27Å; L59-R62 WeakPolarHBondContact O-CB 3.27Å; L59-R62 PolarHBondContact O-N 2.63Å; L59-G63 PolarHBondContact O-N 2.69Å; L59-A64 HydrophobicContact CB-CB 4.05Å; L59-A64 VanDerWaalsContact O-CB 3.31Å; L59-A64 WeakPolarHBondContact O-CB 3.47Å; L59-A64 PolarHBondContact O-N 3.27Å; L59-A64 VanDerWaalsContact O-N 3.08Å
60L95.4Very high95.2Very high38 Ų3866.3 Ų66.320%0.19936%0.363CS..Hα-helixtrans-59.5-42.2172.2-64.5173.8000111.2F44 V56 L57 R62 G63 I66 H95F44-L60 HydrophobicContact CE2-CD2 3.78Å; F44-L60 HydrophobicContact CE2-CG 4.23Å; F44-L60 HydrophobicContact CZ-CD2 4.46Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.46Å; V56-L60 WeakPolarHBondContact O-CG 3.23Å; V56-L60 PolarHBondContact O-N 3.34Å; L57-L60 PolarHBondContact O-N 3.12Å; L60-R62 PolarHBondContact O-N 3.04Å; L60-R62 VanDerWaalsContact O-N 3.08Å; L60-G63 PolarHBondContact O-N 2.74Å; L60-I66 HydrophobicContact CD1-CD1 4.02Å; L60-I66 HydrophobicContact CD2-CB 3.72Å; L60-I66 HydrophobicContact CD2-CD1 4.25Å; L60-I66 HydrophobicContact CD2-CG1 4.1Å; L60-H95 HydrophobicContact CD1-CB 4Å
61D95.2Very high95.2Very high146 Ų14668.4 Ų68.478%0.78137%0.372SS*.THydrogen-bonded Turntrans-56.2-21.6170.5-99.1-5.7000114.4L57 L59L57-D61 WeakPolarHBondContact O-CB 3.25Å; L57-D61 PolarHBondContact O-N 2.91Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 2.77Å
62R94.6Very high95.1Very high178 Ų17871.1 Ų71.167%0.67238%0.378SS*.THydrogen-bonded Turntrans-94.8-0.5174.6-72.5-170-177147.113113.7R58 L59 L60R58-R62 VanDerWaalsContact NH1-NE 3.18Å; L59-R62 WeakPolarHBondContact O-CA 3.27Å; L59-R62 WeakPolarHBondContact O-CB 3.27Å; L59-R62 PolarHBondContact O-N 2.63Å; L60-R62 PolarHBondContact O-N 3.04Å; L60-R62 VanDerWaalsContact O-N 3.08Å
63G93.1Very high95.1Very high67 Ų6767.9 Ų67.969%0.69136%0.362SS*.THydrogen-bonded Turntrans81.433.3-174.900000113.9L59 L60L59-G63 PolarHBondContact O-N 2.69Å; L60-G63 PolarHBondContact O-N 2.74Å
64A95.2Very high95.2Very high22 Ų2266.9 Ų66.918%0.18236%0.355CS..  trans-64.1143.6160.200000109.8F44 L59F44-A64 HydrophobicContact CB-CB 4.48Å; F44-A64 HydrophobicContact CD2-CB 4.12Å; F44-A64 HydrophobicContact CG-CB 4.47Å; L59-A64 HydrophobicContact CB-CB 4.05Å; L59-A64 VanDerWaalsContact O-CB 3.31Å; L59-A64 WeakPolarHBondContact O-CB 3.47Å; L59-A64 PolarHBondContact O-N 3.27Å; L59-A64 VanDerWaalsContact O-N 3.08Å
65D95.3Very high95.3Very high96 Ų9659.6 Ų59.651%0.51332%0.321SS..  trans-83.7116.7176.6-174.3-4.8000109.8N67 Y68D65-N67 PolarHBondContact O-N 2.75Å; D65-N67 PolarHBondContact OD1-N 3.04Å; D65-Y68 WeakPolarHBondContact O-CB 3.48Å; D65-Y68 PolarHBondContact O-N 3.42Å
66I96.1Very high95.4Very high16 Ų1656.7 Ų56.78%0.08231%0.308CS..THydrogen-bonded Turntrans-64.6-22.5178.5-161.7165.9000112.8F44 L60 L92 H95 A97F44-I66 HydrophobicContact CZ-CB 4.34Å; F44-I66 HydrophobicContact CZ-CG1 3.99Å; L60-I66 HydrophobicContact CD1-CD1 4.02Å; L60-I66 HydrophobicContact CD2-CB 3.72Å; L60-I66 HydrophobicContact CD2-CD1 4.25Å; L60-I66 HydrophobicContact CD2-CG1 4.1Å; I66-L92 HydrophobicContact CD1-CD2 4.17Å; I66-L92 WeakPolarHBondContact CD1-O 3.47Å; I66-L92 HydrophobicContact CG1-CD2 4.02Å; I66-H95 HydrophobicContact CD1-CB 3.67Å; I66-H95 WeakPolarHBondContact CD1-O 3.2Å; I66-A97 HydrophobicContact CD1-CB 4.08Å; I66-A97 HydrophobicContact CG1-CB 4.04Å
67N96.1Very high95.5Very high43 Ų4356.7 Ų56.723%0.2331%0.308CS..THydrogen-bonded Turntrans-97.714.9175.9-55.9-76.3000112.1D65 A69 S98 Q101D65-N67 PolarHBondContact O-N 2.75Å; D65-N67 PolarHBondContact OD1-N 3.04Å; N67-A69 PolarHBondContact O-N 3.24Å; N67-S98 WeakPolarHBondContact OD1-CB 3.22Å; N67-S98 PolarHBondContact OD1-N 3.09Å; N67-Q101 HydrophobicContact CB-CG 4.36Å
68Y96.3Very high95.6Very high87 Ų8753.4 Ų53.434%0.34129%0.29SS..  trans-57.6133.6172-177.7-87.2000110.4L45 D65 T75L45-Y68 HydrophobicContact CD1-CD1 3.77Å; L45-Y68 HydrophobicContact CD1-CE1 3.7Å; L45-Y68 HydrophobicContact CD2-CD1 4.36Å; L45-Y68 HydrophobicContact CG-CD1 3.82Å; L45-Y68 HydrophobicContact CG-CE1 4.18Å; D65-Y68 WeakPolarHBondContact O-CB 3.48Å; D65-Y68 PolarHBondContact O-N 3.42Å; Y68-T75 WeakPolarHBondContact O-CA 3.28Å
69A95.5Very high95.7Very high36 Ų3652.7 Ų52.730%0.29829%0.29SS..BIsolated β-bridgetrans-115.6150.3-174.500000112N67 G73 L74 T75N67-A69 PolarHBondContact O-N 3.24Å; A69-G73 WeakPolarHBondContact CB-O 3.18Å; A69-L74 CarbonylContact C-O 3.57Å; A69-L74 WeakPolarHBondContact CA-O 3.39Å; A69-T75 HydrophobicContact CB-CG2 4.25Å
70N94.8Very high95.8Very high50 Ų5052.5 Ų52.527%0.26729%0.29SS..  trans-75.8-172.1172.680-0.2000111.8L45 D72 G73 L74L45-N70 HydrophobicContact CD1-CB 3.95Å; N70-D72 PolarHBondContact ND2-OD2 2.98Å; N70-D72 PolarHBondContact O-N 3.48Å; N70-D72 WeakPolarHBondContact OD1-CA 3.34Å; N70-D72 WeakPolarHBondContact OD1-CB 3.45Å; N70-D72 PolarHBondContact OD1-N 3.37Å; N70-G73 PolarHBondContact O-N 3.49Å; N70-G73 VanDerWaalsContact O-N 3.16Å; N70-G73 PolarHBondContact OD1-N 2.79Å; N70-L74 PolarHBondContact N-O 3.25Å; N70-L74 PolarHBondContact OD1-N 3.04Å
71V93.8Very high95.9Very high127 Ų12750.7 Ų50.777%0.7728%0.28SS*.THydrogen-bonded Turntrans-65-27.1-179.7-65.60000113.5G73 N104V71-G73 VanDerWaalsContact C-N 3.33Å; V71-N104 PolarHBondContact O-ND2 3.46Å
72D93.1Very high95.9Very high91 Ų9146.7 Ų46.749%0.48726%0.258SS..THydrogen-bonded Turntrans-89.1-2.4179.5-44.6-65.5000111.8N70 L74 N104N70-D72 PolarHBondContact ND2-OD2 2.98Å; N70-D72 PolarHBondContact O-N 3.48Å; N70-D72 WeakPolarHBondContact OD1-CA 3.34Å; N70-D72 WeakPolarHBondContact OD1-CB 3.45Å; N70-D72 PolarHBondContact OD1-N 3.37Å; D72-L74 HydrophobicContact CB-CG 4.45Å; D72-N104 VanDerWaalsContact C-CG 3.43Å; D72-N104 WeakPolarHBondContact CA-ND2 3.35Å; D72-N104 WeakPolarHBondContact O-CB 3.31Å; D72-N104 PolarHBondContact O-N 2.63Å; D72-N104 VanDerWaalsContact O-N 3.07Å; D72-N104 PolarHBondContact O-ND2 2.75Å
73G94.6Very high96Very high5 Ų541.8 Ų41.85%0.05225%0.245CC..SBendtrans90-5.8-179.700000114.5A69 N70 V71 T75A69-G73 WeakPolarHBondContact CB-O 3.18Å; N70-G73 PolarHBondContact O-N 3.49Å; N70-G73 VanDerWaalsContact O-N 3.16Å; N70-G73 PolarHBondContact OD1-N 2.79Å; V71-G73 VanDerWaalsContact C-N 3.33Å; G73-T75 PolarHBondContact O-N 2.99Å
74L96.4Very high96.1Very high34 Ų3442.7 Ų42.718%0.17823%0.234CC..  trans-68.3124.6-179.8-56.7172.9000110.4A69 N70 D72 H78 I82 D103A69-L74 CarbonylContact C-O 3.57Å; A69-L74 WeakPolarHBondContact CA-O 3.39Å; N70-L74 PolarHBondContact N-O 3.25Å; N70-L74 PolarHBondContact OD1-N 3.04Å; D72-L74 HydrophobicContact CB-CG 4.45Å; L74-H78 HydrophobicContact CB-CB 4.04Å; L74-H78 HydrophobicContact CD2-CB 3.92Å; L74-I82 HydrophobicContact CD1-CD1 4.38Å; L74-D103 HydrophobicContact CD2-CB 3.96Å
75T97.4Very high96.2Very high6 Ų643.8 Ų43.84%0.03724%0.237CC..BIsolated β-bridgetrans-84.5170.9173.167.70000111.5Y68 A69 G73 L77 H78 Q79 Q101Y68-T75 WeakPolarHBondContact O-CA 3.28Å; A69-T75 HydrophobicContact CB-CG2 4.25Å; G73-T75 PolarHBondContact O-N 2.99Å; T75-L77 PolarHBondContact O-N 2.92Å; T75-L77 VanDerWaalsContact O-N 3.16Å; T75-L77 PolarHBondContact OG1-N 3.08Å; T75-H78 PolarHBondContact N-ND1 3.04Å; T75-H78 WeakPolarHBondContact O-CB 3.24Å; T75-H78 PolarHBondContact O-N 3.42Å; T75-H78 PolarHBondContact OG1-ND1 2.99Å; T75-Q79 PolarHBondContact O-N 2.79Å; T75-Q79 VanDerWaalsContact O-N 3.15Å; T75-Q101 HydrophobicContact CG2-CB 4.3Å; T75-Q101 HydrophobicContact CG2-CG 4.47Å
76A97.3Very high96.2Very high2 Ų242 Ų422%0.01723%0.227CC..Hα-helixtrans-52.1-35.6171.600000113F44 L45 C48 Q79 A80 L92F44-A76 HydrophobicContact CE1-CB 3.68Å; F44-A76 HydrophobicContact CZ-CB 4.11Å; L45-A76 HydrophobicContact CD2-CB 4Å; C48-A76 HydrophobicContact CB-CB 3.89Å; A76-Q79 PolarHBondContact O-N 2.96Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.13Å; A76-L92 HydrophobicContact CB-CD1 3.77Å; A76-L92 HydrophobicContact CB-CD2 4.24Å
77L98.2Very high96.2Very high1 Ų147.2 Ų47.21%0.00526%0.255CS..Hα-helixtrans-70.2-36.8179-176.359.2000112.3T75 C81 V89 L92 V93 A97 P109T75-L77 PolarHBondContact O-N 2.92Å; T75-L77 VanDerWaalsContact O-N 3.16Å; T75-L77 PolarHBondContact OG1-N 3.08Å; L77-C81 PolarHBondContact O-N 3.19Å; L77-C81 VanDerWaalsContact O-N 3.12Å; L77-C81 PolarHBondContact O-SG 3.39Å; L77-V89 HydrophobicContact CD1-CB 4.31Å; L77-V89 HydrophobicContact CD1-CG1 4.01Å; L77-V89 HydrophobicContact CD1-CG2 4.32Å; L77-L92 HydrophobicContact CB-CD1 4.38Å; L77-L92 HydrophobicContact CD1-CB 4.32Å; L77-V93 HydrophobicContact CD1-CG2 3.81Å; L77-V93 HydrophobicContact CD2-CG2 3.81Å; L77-A97 HydrophobicContact CB-CB 4.36Å; L77-A97 HydrophobicContact CD2-CB 4.03Å; L77-P109 HydrophobicContact CB-CG 4.38Å; L77-P109 HydrophobicContact CD2-CB 4.41Å; L77-P109 HydrophobicContact CD2-CG 3.95Å; L77-P109 HydrophobicContact CG-CB 4.09Å; L77-P109 HydrophobicContact CG-CG 3.87Å
78H98Very high96.3Very high1 Ų145.3 Ų45.31%0.00525%0.245CC..Hα-helixtrans-62.1-48.3172.6-69.580.6000110.7L74 T75 A80 C81 I82 Q101 W107 P109L74-H78 HydrophobicContact CB-CB 4.04Å; L74-H78 HydrophobicContact CD2-CB 3.92Å; T75-H78 PolarHBondContact N-ND1 3.04Å; T75-H78 WeakPolarHBondContact O-CB 3.24Å; T75-H78 PolarHBondContact O-N 3.42Å; T75-H78 PolarHBondContact OG1-ND1 2.99Å; H78-A80 VanDerWaalsContact C-N 3.35Å; H78-A80 PolarHBondContact O-N 3.4Å; H78-C81 PolarHBondContact O-N 3.31Å; H78-C81 VanDerWaalsContact O-N 3.13Å; H78-I82 WeakPolarHBondContact O-CG1 3.11Å; H78-I82 PolarHBondContact O-N 3.47Å; H78-Q101 PolarHBondContact CE1-O 3.49Å; H78-Q101 PolarHBondContact NE2-O 2.89Å; H78-W107 PolarHBondContact NE2-O 3.19Å; H78-W107 VanDerWaalsContact NE2-O 3.14Å; H78-P109 WeakPolarHBondContact NE2-CD 3.48Å
79Q96.9Very high96.4Very high53 Ų5341.2 Ų41.225%0.24823%0.229CC..Hα-helixtrans-63-41.4-179.4-167.563.36400111.5T75 A76 C81 I82 D83T75-Q79 PolarHBondContact O-N 2.79Å; T75-Q79 VanDerWaalsContact O-N 3.15Å; A76-Q79 PolarHBondContact O-N 2.96Å; Q79-C81 VanDerWaalsContact C-N 3.27Å; Q79-C81 PolarHBondContact O-N 2.98Å; Q79-I82 PolarHBondContact O-N 3.32Å; Q79-I82 VanDerWaalsContact O-N 3.12Å; Q79-D83 WeakPolarHBondContact CG-OD2 3.08Å; Q79-D83 PolarHBondContact NE2-OD1 3.4Å; Q79-D83 PolarHBondContact NE2-OD2 2.86Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 PolarHBondContact O-N 3.39Å
80A97.5Very high96.5Very high4 Ų441.1 Ų41.13%0.03323%0.225CC..Hα-helixtrans-62.1-31.8174.900000113.3A76 H78 N85 M88 V89 L92A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.13Å; H78-A80 VanDerWaalsContact C-N 3.35Å; H78-A80 PolarHBondContact O-N 3.4Å; A80-N85 PolarHBondContact O-N 3.4Å; A80-M88 HydrophobicContact CB-CB 4Å; A80-M88 HydrophobicContact CB-CG 3.82Å; A80-V89 HydrophobicContact CB-CG2 3.67Å; A80-L92 HydrophobicContact CB-CD1 4.22Å
81C97.8Very high96.6Very high0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-74.6-35.1172.7-60.80000112.5L77 H78 Q79 D83 A112 Y118 I121L77-C81 PolarHBondContact O-N 3.19Å; L77-C81 VanDerWaalsContact O-N 3.12Å; L77-C81 PolarHBondContact O-SG 3.39Å; H78-C81 PolarHBondContact O-N 3.31Å; H78-C81 VanDerWaalsContact O-N 3.13Å; Q79-C81 VanDerWaalsContact C-N 3.27Å; Q79-C81 PolarHBondContact O-N 2.98Å; C81-D83 VanDerWaalsContact C-N 3.35Å; C81-A112 HydrophobicContact CB-CB 4.41Å; C81-Y118 WeakPolarHBondContact O-CD2 3.33Å; C81-Y118 VanDerWaalsContact O-CE2 3.25Å; C81-Y118 WeakPolarHBondContact O-CE2 3.31Å; C81-I121 HydrophobicContact CB-CG2 4.19Å
82I96.3Very high96.8Very high61 Ų6133.8 Ų33.831%0.31318%0.18SC..Hα-helixtrans-71.7-31.2177-65.9162.8000111.5L74 H78 Q79 D84 A112L74-I82 HydrophobicContact CD1-CD1 4.38Å; H78-I82 WeakPolarHBondContact O-CG1 3.11Å; H78-I82 PolarHBondContact O-N 3.47Å; Q79-I82 PolarHBondContact O-N 3.32Å; Q79-I82 VanDerWaalsContact O-N 3.12Å; I82-D84 VanDerWaalsContact C-N 3.35Å; I82-A112 HydrophobicContact CG1-CB 3.93Å
83D95.3Very high97.1Very high76 Ų7630.3 Ų30.341%0.40616%0.162SC..THydrogen-bonded Turntrans-90.211.2-177.1-62.4-17000113.6Q79 C81 N85Q79-D83 WeakPolarHBondContact CG-OD2 3.08Å; Q79-D83 PolarHBondContact NE2-OD1 3.4Å; Q79-D83 PolarHBondContact NE2-OD2 2.86Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 PolarHBondContact O-N 3.39Å; C81-D83 VanDerWaalsContact C-N 3.35Å; D83-N85 HydrophobicContact CB-CB 4.45Å; D83-N85 PolarHBondContact O-N 3.03Å
84D96.3Very high97.2Very high86 Ų8637.2 Ų37.246%0.4619%0.193SC..THydrogen-bonded Turntrans51.231.5-173.5-160.220.2000114.5I82 I86 Y118I82-D84 VanDerWaalsContact C-N 3.35Å; D84-I86 PolarHBondContact O-N 2.96Å; D84-Y118 HydrophobicContact CB-CD1 4.04Å; D84-Y118 HydrophobicContact CB-CD2 4.4Å; D84-Y118 HydrophobicContact CB-CE1 3.67Å; D84-Y118 HydrophobicContact CB-CE2 4.04Å; D84-Y118 HydrophobicContact CB-CG 4.41Å; D84-Y118 WeakPolarHBondContact OD1-CD1 3.45Å
85N96.2Very high97.1Very high45 Ų4539.6 Ų39.624%0.24120%0.203CC..  trans-96.772.7-170.1-166.5-24.8000111.3A80 D83 D87 M88 V89A80-N85 PolarHBondContact O-N 3.4Å; D83-N85 HydrophobicContact CB-CB 4.45Å; D83-N85 PolarHBondContact O-N 3.03Å; N85-D87 PolarHBondContact O-N 3.49Å; N85-M88 HydrophobicContact CB-CB 4.11Å; N85-M88 VanDerWaalsContact CG-CB 3.42Å; N85-M88 PolarHBondContact O-N 3.46Å; N85-M88 VanDerWaalsContact OD1-CB 3.3Å; N85-M88 WeakPolarHBondContact OD1-CB 3.24Å; N85-M88 PolarHBondContact OD1-N 3.19Å; N85-V89 WeakPolarHBondContact O-CG2 3.49Å; N85-V89 PolarHBondContact O-N 2.8Å
86I96.4Very high97Very high59 Ų5941.6 Ų41.630%0.30323%0.225SC..Hα-helixtrans-54.4-35.8179.5-174.964.1000113D84 M88 V89 T90 I121 Y124D84-I86 PolarHBondContact O-N 2.96Å; I86-M88 PolarHBondContact O-N 3.18Å; I86-V89 PolarHBondContact O-N 2.91Å; I86-T90 HydrophobicContact CD1-CG2 3.99Å; I86-T90 HydrophobicContact CG1-CG2 4.2Å; I86-T90 WeakPolarHBondContact O-CB 3.42Å; I86-T90 VanDerWaalsContact O-CG2 3.28Å; I86-T90 WeakPolarHBondContact O-CG2 3.44Å; I86-T90 PolarHBondContact O-N 2.9Å; I86-T90 PolarHBondContact O-OG1 2.73Å; I86-I121 HydrophobicContact CB-CG1 4.2Å; I86-I121 HydrophobicContact CD1-CG1 3.89Å; I86-Y124 HydrophobicContact CD1-CG 4.42Å
87D96.8Very high97Very high125 Ų12541.9 Ų41.967%0.66823%0.227SC*.Hα-helixtrans-64.6-39176.4-74-28.5000111.9N85 T90 F91N85-D87 PolarHBondContact O-N 3.49Å; D87-T90 PolarHBondContact O-OG1 3.48Å; D87-F91 WeakPolarHBondContact O-CB 3.45Å; D87-F91 PolarHBondContact O-N 3.39Å; D87-F91 VanDerWaalsContact O-N 3.13Å
88M97.2Very high97Very high3 Ų343.7 Ų43.72%0.01524%0.24CC..Hα-helixtrans-77.9-35175.2-173.35860.300112.1C48 T53 A80 N85 I86 F91 L92C48-M88 HydrophobicContact CB-SD 4.16Å; T53-M88 HydrophobicContact CG2-CE 3.64Å; A80-M88 HydrophobicContact CB-CB 4Å; A80-M88 HydrophobicContact CB-CG 3.82Å; N85-M88 HydrophobicContact CB-CB 4.11Å; N85-M88 VanDerWaalsContact CG-CB 3.42Å; N85-M88 PolarHBondContact O-N 3.46Å; N85-M88 VanDerWaalsContact OD1-CB 3.3Å; N85-M88 WeakPolarHBondContact OD1-CB 3.24Å; N85-M88 PolarHBondContact OD1-N 3.19Å; I86-M88 PolarHBondContact O-N 3.18Å; M88-F91 HydrophobicContact SD-CD1 3.83Å; M88-F91 HydrophobicContact SD-CE1 4.41Å; M88-L92 HydrophobicContact CG-CD1 3.8Å; M88-L92 HydrophobicContact CG-CG 4.18Å; M88-L92 VanDerWaalsContact O-CB 3.23Å; M88-L92 WeakPolarHBondContact O-CB 3.33Å; M88-L92 WeakPolarHBondContact O-CD1 3.43Å; M88-L92 WeakPolarHBondContact O-CG 3.4Å; M88-L92 PolarHBondContact O-N 2.89Å; M88-L92 HydrophobicContact SD-CD1 4.03Å; M88-L92 HydrophobicContact SD-CD2 4.33Å; M88-L92 HydrophobicContact SD-CG 3.84Å
89V98.2Very high97Very high0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-60.5-51.4173.4168.80000110.6L77 A80 N85 I86 L92 V93 I121 Y124 L125L77-V89 HydrophobicContact CD1-CB 4.31Å; L77-V89 HydrophobicContact CD1-CG1 4.01Å; L77-V89 HydrophobicContact CD1-CG2 4.32Å; A80-V89 HydrophobicContact CB-CG2 3.67Å; N85-V89 WeakPolarHBondContact O-CG2 3.49Å; N85-V89 PolarHBondContact O-N 2.8Å; I86-V89 PolarHBondContact O-N 2.91Å; V89-L92 PolarHBondContact O-N 3.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.49Å; V89-V93 PolarHBondContact O-N 3.44Å; V89-V93 VanDerWaalsContact O-N 3.11Å; V89-I121 HydrophobicContact CG1-CG2 4.32Å; V89-I121 HydrophobicContact CG2-CD1 4.4Å; V89-I121 HydrophobicContact CG2-CG2 4.27Å; V89-Y124 HydrophobicContact CG1-CD1 3.75Å; V89-Y124 HydrophobicContact CG1-CE1 4.05Å; V89-L125 HydrophobicContact CG1-CD2 4.17Å; V89-L125 HydrophobicContact CG1-CG 4.5Å
90T97.8Very high97Very high35 Ų3543.8 Ų43.822%0.21524%0.242CC..Hα-helixtrans-60.4-54.1178.750.70000110.7I86 D87 L92 V93 E94 Y124I86-T90 HydrophobicContact CD1-CG2 3.99Å; I86-T90 HydrophobicContact CG1-CG2 4.2Å; I86-T90 WeakPolarHBondContact O-CB 3.42Å; I86-T90 VanDerWaalsContact O-CG2 3.28Å; I86-T90 WeakPolarHBondContact O-CG2 3.44Å; I86-T90 PolarHBondContact O-N 2.9Å; I86-T90 PolarHBondContact O-OG1 2.73Å; D87-T90 PolarHBondContact O-OG1 3.48Å; T90-L92 PolarHBondContact O-N 2.96Å; T90-V93 PolarHBondContact O-N 3.38Å; T90-E94 WeakPolarHBondContact O-CG 3.41Å; T90-E94 PolarHBondContact O-N 3Å; T90-Y124 HydrophobicContact CG2-CD1 4.09Å; T90-Y124 HydrophobicContact CG2-CD2 3.98Å; T90-Y124 HydrophobicContact CG2-CE1 3.87Å; T90-Y124 HydrophobicContact CG2-CE2 3.77Å; T90-Y124 HydrophobicContact CG2-CG 4.13Å; T90-Y124 PolarHBondContact O-OH 3.34Å
91F97.9Very high96.9Very high23 Ų2347 Ų4710%0.10126%0.257CS..Hα-helixtrans-53.1-46.7176.9170.4-91.3000113.2T53 V56 L57 D87 M88 H95T53-F91 HydrophobicContact CG2-CB 4.43Å; T53-F91 HydrophobicContact CG2-CD1 4.05Å; T53-F91 HydrophobicContact CG2-CD2 3.97Å; T53-F91 HydrophobicContact CG2-CE1 4.36Å; T53-F91 HydrophobicContact CG2-CE2 4.27Å; T53-F91 HydrophobicContact CG2-CG 3.87Å; T53-F91 HydrophobicContact CG2-CZ 4.47Å; V56-F91 HydrophobicContact CB-CE1 4.1Å; V56-F91 HydrophobicContact CB-CZ 4.38Å; V56-F91 HydrophobicContact CG1-CE1 3.64Å; V56-F91 HydrophobicContact CG1-CZ 4.17Å; L57-F91 HydrophobicContact CD1-CE2 4.33Å; L57-F91 HydrophobicContact CD2-CE2 3.74Å; L57-F91 HydrophobicContact CD2-CZ 3.82Å; L57-F91 HydrophobicContact CG-CE2 3.72Å; L57-F91 HydrophobicContact CG-CZ 3.72Å; D87-F91 WeakPolarHBondContact O-CB 3.45Å; D87-F91 PolarHBondContact O-N 3.39Å; D87-F91 VanDerWaalsContact O-N 3.13Å; M88-F91 HydrophobicContact SD-CD1 3.83Å; M88-F91 HydrophobicContact SD-CE1 4.41Å; F91-H95 AromaticContact CD2-CE1 3.69Å; F91-H95 AromaticContact CD2-ND1 3.65Å; F91-H95 AromaticContact CE2-CE1 3.44Å; F91-H95 VanDerWaalsContact CE2-CE1 3.44Å; F91-H95 WeakPolarHBondContact CE2-CE1 3.46Å; F91-H95 AromaticContact CE2-ND1 3.53Å; F91-H95 AromaticContact CZ-ND1 3.87Å; F91-H95 PolarHBondContact O-N 3.39Å; F91-H95 VanDerWaalsContact O-N 3.13Å; F91-H95 PolarHBondContact O-ND1 3.16Å
92L97.9Very high96.8Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-65.7-42.4-178.9-76.9171.4000111.8F44 I66 A76 L77 A80 M88 V89 T90 H95 G96 A97F44-L92 HydrophobicContact CZ-CD2 4.23Å; I66-L92 HydrophobicContact CD1-CD2 4.17Å; I66-L92 WeakPolarHBondContact CD1-O 3.47Å; I66-L92 HydrophobicContact CG1-CD2 4.02Å; A76-L92 HydrophobicContact CB-CD1 3.77Å; A76-L92 HydrophobicContact CB-CD2 4.24Å; L77-L92 HydrophobicContact CB-CD1 4.38Å; L77-L92 HydrophobicContact CD1-CB 4.32Å; A80-L92 HydrophobicContact CB-CD1 4.22Å; M88-L92 HydrophobicContact CG-CD1 3.8Å; M88-L92 HydrophobicContact CG-CG 4.18Å; M88-L92 VanDerWaalsContact O-CB 3.23Å; M88-L92 WeakPolarHBondContact O-CB 3.33Å; M88-L92 WeakPolarHBondContact O-CD1 3.43Å; M88-L92 WeakPolarHBondContact O-CG 3.4Å; M88-L92 PolarHBondContact O-N 2.89Å; M88-L92 HydrophobicContact SD-CD1 4.03Å; M88-L92 HydrophobicContact SD-CD2 4.33Å; M88-L92 HydrophobicContact SD-CG 3.84Å; V89-L92 PolarHBondContact O-N 3.25Å; T90-L92 PolarHBondContact O-N 2.96Å; L92-H95 CarbonylContact O-C 3.58Å; L92-H95 PolarHBondContact O-N 3.26Å; L92-G96 PolarHBondContact O-N 2.83Å; L92-A97 HydrophobicContact CB-CB 3.93Å; L92-A97 WeakPolarHBondContact O-CB 3.43Å; L92-A97 PolarHBondContact O-N 3.37Å
93V97.8Very high96.8Very high17 Ų1748.2 Ų48.210%0.10327%0.267CS..Hα-helixtrans-68.9-40.4179.7177.30000111.3L77 V89 T90 H95 G96 V99 Y124 Q128L77-V93 HydrophobicContact CD1-CG2 3.81Å; L77-V93 HydrophobicContact CD2-CG2 3.81Å; V89-V93 WeakPolarHBondContact O-CG2 3.49Å; V89-V93 PolarHBondContact O-N 3.44Å; V89-V93 VanDerWaalsContact O-N 3.11Å; T90-V93 PolarHBondContact O-N 3.38Å; V93-H95 PolarHBondContact O-N 3.01Å; V93-G96 PolarHBondContact O-N 3.47Å; V93-V99 HydrophobicContact CB-CG2 4.47Å; V93-V99 HydrophobicContact CG1-CG2 3.65Å; V93-V99 HydrophobicContact CG2-CG2 3.92Å; V93-Y124 HydrophobicContact CB-CE1 4.08Å; V93-Y124 HydrophobicContact CG1-CE1 4.46Å; V93-Y124 HydrophobicContact CG2-CE1 4.21Å; V93-Q128 HydrophobicContact CG1-CB 3.88Å; V93-Q128 HydrophobicContact CG1-CG 3.82Å
94E97Very high96.7Very high151 Ų15148.1 Ų48.171%0.70627%0.267SS*.Hα-helixtrans-58.3-34.2172.7-73.6-171.116100112.6T90 G96T90-E94 WeakPolarHBondContact O-CG 3.41Å; T90-E94 PolarHBondContact O-N 3Å; E94-G96 VanDerWaalsContact C-N 3.28Å; E94-G96 PolarHBondContact O-N 2.82Å
95H96.1Very high96.5Very high84 Ų8449.3 Ų49.339%0.38927%0.27SS..THydrogen-bonded Turntrans-86.79176.8-68.982.7000114.2L57 L60 I66 F91 L92 V93L57-H95 VanDerWaalsContact CD2-NE2 3.3Å; L57-H95 WeakPolarHBondContact CD2-NE2 3.48Å; L60-H95 HydrophobicContact CD1-CB 4Å; I66-H95 HydrophobicContact CD1-CB 3.67Å; I66-H95 WeakPolarHBondContact CD1-O 3.2Å; F91-H95 AromaticContact CD2-CE1 3.69Å; F91-H95 AromaticContact CD2-ND1 3.65Å; F91-H95 AromaticContact CE2-CE1 3.44Å; F91-H95 VanDerWaalsContact CE2-CE1 3.44Å; F91-H95 WeakPolarHBondContact CE2-CE1 3.46Å; F91-H95 AromaticContact CE2-ND1 3.53Å; F91-H95 AromaticContact CZ-ND1 3.87Å; F91-H95 PolarHBondContact O-N 3.39Å; F91-H95 VanDerWaalsContact O-N 3.13Å; F91-H95 PolarHBondContact O-ND1 3.16Å; L92-H95 CarbonylContact O-C 3.58Å; L92-H95 PolarHBondContact O-N 3.26Å; V93-H95 PolarHBondContact O-N 3.01Å
96G95Very high96.4Very high48 Ų4848.1 Ų48.150%0.49527%0.268SS..THydrogen-bonded Turntrans91.822.6171.500000115.5L92 V93 E94 S98L92-G96 PolarHBondContact O-N 2.83Å; V93-G96 PolarHBondContact O-N 3.47Å; E94-G96 VanDerWaalsContact C-N 3.28Å; E94-G96 PolarHBondContact O-N 2.82Å; G96-S98 PolarHBondContact O-N 2.95Å
97A97.3Very high96.5Very high7 Ų748 Ų486%0.05826%0.264CS..  trans-61.613016600000109.5I66 L77 L92 V99I66-A97 HydrophobicContact CD1-CB 4.08Å; I66-A97 HydrophobicContact CG1-CB 4.04Å; L77-A97 HydrophobicContact CB-CB 4.36Å; L77-A97 HydrophobicContact CD2-CB 4.03Å; L92-A97 HydrophobicContact CB-CB 3.93Å; L92-A97 WeakPolarHBondContact O-CB 3.43Å; L92-A97 PolarHBondContact O-N 3.37Å; A97-V99 PolarHBondContact O-N 2.97Å
98S96.9Very high96.5Very high40 Ų4042.2 Ų42.228%0.2823%0.232SC..  trans-76.9101.2-178.8154.20000109.9N67 G96 N100 Q101N67-S98 WeakPolarHBondContact OD1-CB 3.22Å; N67-S98 PolarHBondContact OD1-N 3.09Å; G96-S98 PolarHBondContact O-N 2.95Å; S98-N100 PolarHBondContact O-N 3.06Å; S98-Q101 PolarHBondContact O-N 3.37Å; S98-Q101 PolarHBondContact OG-N 3.07Å; S98-Q101 PolarHBondContact OG-NE2 2.82Å
99V97.6Very high96.6Very high10 Ų1042 Ų426%0.06123%0.232CC..THydrogen-bonded Turntrans-42-31.1174.9-178.20000113.9V93 A97 P109 L125 Q128 A130V93-V99 HydrophobicContact CB-CG2 4.47Å; V93-V99 HydrophobicContact CG1-CG2 3.65Å; V93-V99 HydrophobicContact CG2-CG2 3.92Å; A97-V99 PolarHBondContact O-N 2.97Å; V99-P109 WeakPolarHBondContact O-CD 3.32Å; V99-L125 HydrophobicContact CG1-CD2 4.07Å; V99-Q128 HydrophobicContact CG2-CB 4.03Å; V99-A130 HydrophobicContact CG1-CB 3.64Å
100N97.1Very high96.5Very high46 Ų4642.1 Ų42.125%0.24623%0.232CC..THydrogen-bonded Turntrans-110.930.2-178.6-63-66.2000114.2S98 P102 G129 A130 N131S98-N100 PolarHBondContact O-N 3.06Å; N100-P102 WeakPolarHBondContact O-CD 3.28Å; N100-G129 PolarHBondContact ND2-O 3.15Å; N100-A130 WeakPolarHBondContact OD1-CA 3.05Å; N100-N131 WeakPolarHBondContact OD1-CB 3.43Å; N100-N131 PolarHBondContact OD1-N 2.98Å; N100-N131 PolarHBondContact OD1-ND2 3.43Å
101Q96.4Very high96.6Very high71 Ų7140.4 Ų40.433%0.33222%0.222SC..  trans-70128166.2-76.2-51.6-63.500109.8N67 T75 H78 S98 P109N67-Q101 HydrophobicContact CB-CG 4.36Å; T75-Q101 HydrophobicContact CG2-CB 4.3Å; T75-Q101 HydrophobicContact CG2-CG 4.47Å; H78-Q101 PolarHBondContact CE1-O 3.49Å; H78-Q101 PolarHBondContact NE2-O 2.89Å; S98-Q101 PolarHBondContact O-N 3.37Å; S98-Q101 PolarHBondContact OG-N 3.07Å; S98-Q101 PolarHBondContact OG-NE2 2.82Å; Q101-P109 WeakPolarHBondContact O-CD 3.46Å
102P95.8Very high96.5Very high68 Ų6839.7 Ų39.744%0.44222%0.22SC..  trans-84.9151.5166.434.5-32.9000111.5N100 W107 I108N100-P102 WeakPolarHBondContact O-CD 3.28Å; P102-W107 CarbonylContact C-O 3.59Å; P102-W107 VanDerWaalsContact CA-O 3.24Å; P102-W107 WeakPolarHBondContact CA-O 3.44Å; P102-I108 HydrophobicContact CB-CG2 4.33Å
103D95.8Very high96.5Very high18 Ų1839.7 Ų39.710%0.09622%0.22CC..  trans-80.9-145.7173.576.2-16.3000113.2L74 E105 G106 W107 K197L74-D103 HydrophobicContact CD2-CB 3.96Å; D103-E105 WeakPolarHBondContact OD1-CA 3.37Å; D103-E105 PolarHBondContact OD1-N 3.3Å; D103-G106 PolarHBondContact OD1-N 3.08Å; D103-W107 PolarHBondContact N-O 2.71Å; D103-W107 PolarHBondContact OD1-N 2.88Å; D103-K197 PolarHBondContact O-NZ 3.29Å
104N93.5Very high96.5Very high75 Ų7538.9 Ų38.940%0.40122%0.215SC..SBendtrans-85-24.4170.3-70.8-20.2000113.9V71 D72 K197V71-N104 PolarHBondContact O-ND2 3.46Å; D72-N104 VanDerWaalsContact C-CG 3.43Å; D72-N104 WeakPolarHBondContact CA-ND2 3.35Å; D72-N104 WeakPolarHBondContact O-CB 3.31Å; D72-N104 PolarHBondContact O-N 2.63Å; D72-N104 VanDerWaalsContact O-N 3.07Å; D72-N104 PolarHBondContact O-ND2 2.75Å; N104-K197 WeakPolarHBondContact OD1-CE 3.26Å; N104-K197 PolarHBondContact OD1-NZ 2.83Å
105E92.6Very high96.5Very high111 Ų11133.8 Ų33.852%0.51920%0.196SC..SBendtrans-96.7-1.1-179.5-59.4-165.7176.400112.2D103 S137D103-E105 WeakPolarHBondContact OD1-CA 3.37Å; D103-E105 PolarHBondContact OD1-N 3.3Å; E105-S137 VanDerWaalsContact C-OG 3.26Å; E105-S137 WeakPolarHBondContact O-CB 3.47Å; E105-S137 PolarHBondContact O-N 3.03Å; E105-S137 PolarHBondContact O-OG 3.49Å
106G94.1Very high96.4Very high19 Ų1932.5 Ų32.520%0.19620%0.196CC..SBendtrans89.54178.100000113.8D103D103-G106 PolarHBondContact OD1-N 3.08Å
107W97.1Very high96.4Very high58 Ų5831 Ų3122%0.2218%0.181CC..  trans-69.8134.1174.4-72.255.6000109.1H78 P102 D103 H111 N136 I145H78-W107 PolarHBondContact NE2-O 3.19Å; H78-W107 VanDerWaalsContact NE2-O 3.14Å; P102-W107 CarbonylContact C-O 3.59Å; P102-W107 VanDerWaalsContact CA-O 3.24Å; P102-W107 WeakPolarHBondContact CA-O 3.44Å; D103-W107 PolarHBondContact N-O 2.71Å; D103-W107 PolarHBondContact OD1-N 2.88Å; W107-H111 HydrophobicContact CB-CB 4.18Å; W107-H111 HydrophobicContact CD2-CB 3.87Å; W107-H111 HydrophobicContact CE3-CB 3.45Å; W107-H111 VanDerWaalsContact CE3-CB 3.45Å; W107-H111 HydrophobicContact CG-CB 4.21Å; W107-H111 HydrophobicContact CZ3-CB 4.1Å; W107-N136 PolarHBondContact NE1-ND2 3Å; W107-I145 HydrophobicContact CH2-CD1 3.76Å; W107-I145 HydrophobicContact CH2-CG2 3.9Å; W107-I145 HydrophobicContact CZ2-CD1 3.63Å; W107-I145 HydrophobicContact CZ3-CD1 4.33Å
108I97.7Very high96.4Very high2 Ų234 Ų341%0.0119%0.191CC..  trans-99163.3165.461.9158.3000109.2P102 L110 H111 V134P102-I108 HydrophobicContact CB-CG2 4.33Å; I108-L110 HydrophobicContact CD1-CB 3.96Å; I108-L110 HydrophobicContact CG1-CB 4.22Å; I108-L110 PolarHBondContact O-N 3.49Å; I108-H111 WeakPolarHBondContact CA-CE1 3.43Å; I108-H111 WeakPolarHBondContact CB-CE1 3.47Å; I108-H111 WeakPolarHBondContact CG1-CE1 3.21Å; I108-H111 VanDerWaalsContact CG1-ND1 3.28Å; I108-H111 WeakPolarHBondContact CG1-ND1 3.45Å; I108-H111 PolarHBondContact N-CE1 3.01Å; I108-H111 PolarHBondContact N-ND1 3.3Å; I108-H111 WeakPolarHBondContact O-CB 3.11Å; I108-H111 PolarHBondContact O-CE1 3.24Å; I108-H111 PolarHBondContact O-N 3.45Å; I108-V134 HydrophobicContact CD1-CB 4.42Å; I108-V134 HydrophobicContact CD1-CG2 4.44Å; I108-V134 HydrophobicContact CG2-CG1 4.19Å
109P98.1Very high96.4Very high0 Ų034.4 Ų34.40%019%0.19CC..Hα-helixtrans-50.9-29.8179.7-30.135.8000115.1L77 H78 V99 Q101 A112 A113 L125L77-P109 HydrophobicContact CB-CG 4.38Å; L77-P109 HydrophobicContact CD2-CB 4.41Å; L77-P109 HydrophobicContact CD2-CG 3.95Å; L77-P109 HydrophobicContact CG-CB 4.09Å; L77-P109 HydrophobicContact CG-CG 3.87Å; H78-P109 WeakPolarHBondContact NE2-CD 3.48Å; V99-P109 WeakPolarHBondContact O-CD 3.32Å; Q101-P109 WeakPolarHBondContact O-CD 3.46Å; P109-A112 PolarHBondContact O-N 3.21Å; P109-A113 PolarHBondContact O-N 2.89Å; P109-L125 HydrophobicContact CB-CD1 4.23Å; P109-L125 HydrophobicContact CB-CD2 4.47Å
110L98.1Very high96.4Very high1 Ų139.8 Ų39.81%0.00522%0.218CC..Hα-helixtrans-67.9-32.8174.5-17564.9000113.8I108 A112 A113 A114 A122 L125 I126 A130 V132 P142 L155I108-L110 HydrophobicContact CD1-CB 3.96Å; I108-L110 HydrophobicContact CG1-CB 4.22Å; I108-L110 PolarHBondContact O-N 3.49Å; L110-A112 VanDerWaalsContact C-N 3.31Å; L110-A113 PolarHBondContact O-N 3.41Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.29Å; L110-A122 HydrophobicContact CD1-CB 3.83Å; L110-L125 HydrophobicContact CB-CD1 4.4Å; L110-L125 HydrophobicContact CD1-CB 4.34Å; L110-L125 HydrophobicContact CD1-CD1 4.39Å; L110-I126 HydrophobicContact CD1-CD1 4.37Å; L110-I126 HydrophobicContact CD1-CG1 4.17Å; L110-I126 HydrophobicContact CD2-CG1 4.14Å; L110-A130 HydrophobicContact CB-CB 4.18Å; L110-A130 HydrophobicContact CD2-CB 3.85Å; L110-A130 HydrophobicContact CG-CB 4.47Å; L110-V132 HydrophobicContact CD2-CB 4.49Å; L110-V132 HydrophobicContact CD2-CG1 3.85Å; L110-P142 HydrophobicContact CB-CG 4.44Å; L110-P142 HydrophobicContact CD2-CB 4.26Å; L110-P142 HydrophobicContact CD2-CG 4.04Å; L110-P142 HydrophobicContact CG-CB 4.05Å; L110-P142 HydrophobicContact CG-CG 4.07Å; L110-L155 HydrophobicContact CD1-CD2 4.37Å; L110-L155 HydrophobicContact CD2-CD2 4.08Å; L110-L155 HydrophobicContact CG-CD2 4.42Å
111H98.1Very high96.5Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-64.1-39.9172.3-70.984.3000110.5W107 I108 S115 V134W107-H111 HydrophobicContact CB-CB 4.18Å; W107-H111 HydrophobicContact CD2-CB 3.87Å; W107-H111 HydrophobicContact CE3-CB 3.45Å; W107-H111 VanDerWaalsContact CE3-CB 3.45Å; W107-H111 HydrophobicContact CG-CB 4.21Å; W107-H111 HydrophobicContact CZ3-CB 4.1Å; I108-H111 WeakPolarHBondContact CA-CE1 3.43Å; I108-H111 WeakPolarHBondContact CB-CE1 3.47Å; I108-H111 WeakPolarHBondContact CG1-CE1 3.21Å; I108-H111 VanDerWaalsContact CG1-ND1 3.28Å; I108-H111 WeakPolarHBondContact CG1-ND1 3.45Å; I108-H111 PolarHBondContact N-CE1 3.01Å; I108-H111 PolarHBondContact N-ND1 3.3Å; I108-H111 WeakPolarHBondContact O-CB 3.11Å; I108-H111 PolarHBondContact O-CE1 3.24Å; I108-H111 PolarHBondContact O-N 3.45Å; H111-S115 WeakPolarHBondContact O-CB 3.29Å; H111-S115 PolarHBondContact O-N 2.88Å; H111-V134 WeakPolarHBondContact NE2-CB 3.09Å; H111-V134 WeakPolarHBondContact NE2-CG1 3.42Å; H111-V134 PolarHBondContact NE2-O 3.31Å
112A96.8Very high96.6Very high7 Ų734.2 Ų34.26%0.05819%0.191CC..Hα-helixtrans-65.4-46.5176.500000111.7C81 I82 P109 L110 A114 S115 C116C81-A112 HydrophobicContact CB-CB 4.41Å; I82-A112 HydrophobicContact CG1-CB 3.93Å; P109-A112 PolarHBondContact O-N 3.21Å; L110-A112 VanDerWaalsContact C-N 3.31Å; A112-A114 PolarHBondContact O-N 2.82Å; A112-S115 PolarHBondContact O-N 2.91Å; A112-C116 WeakPolarHBondContact O-CB 3.32Å; A112-C116 PolarHBondContact O-N 2.84Å; A112-C116 VanDerWaalsContact O-N 3.15Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.4Å
113A97.4Very high96.7Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-61.3-42.4176.300000112.5P109 L110 C116 G117 Y118 I121 A122 L125P109-A113 PolarHBondContact O-N 2.89Å; L110-A113 PolarHBondContact O-N 3.41Å; A113-C116 PolarHBondContact O-N 2.83Å; A113-G117 PolarHBondContact O-N 3.22Å; A113-G117 VanDerWaalsContact O-N 3.17Å; A113-Y118 PolarHBondContact O-N 3.01Å; A113-I121 HydrophobicContact CB-CB 4.33Å; A113-I121 HydrophobicContact CB-CG2 3.72Å; A113-A122 HydrophobicContact CB-CB 4.38Å; A113-L125 HydrophobicContact CB-CD1 4.11Å
114A97.5Very high96.8Very high1 Ų137 Ų371%0.00820%0.196CC..Hα-helixtrans-65.3-47.1177.100000112.5L110 A112 C116 G117 P142 M151 L155L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.29Å; A112-A114 PolarHBondContact O-N 2.82Å; A114-C116 PolarHBondContact O-N 3.32Å; A114-G117 PolarHBondContact O-N 2.82Å; A114-G117 VanDerWaalsContact O-N 3.17Å; A114-P142 HydrophobicContact CB-CB 4.04Å; A114-P142 WeakPolarHBondContact CB-O 3.43Å; A114-M151 HydrophobicContact CB-CG 4.16Å; A114-M151 HydrophobicContact CB-SD 4.18Å; A114-L155 HydrophobicContact CB-CD1 3.84Å
115S96.8Very high97Very high44 Ų4433.5 Ų33.531%0.30818%0.177SC..Hα-helixtrans-64.5-16.8178.1-177.30000114.1H111 A112 I145H111-S115 WeakPolarHBondContact O-CB 3.29Å; H111-S115 PolarHBondContact O-N 2.88Å; A112-S115 PolarHBondContact O-N 2.91Å; S115-I145 WeakPolarHBondContact CA-O 3.28Å
116C95.3Very high97.2Very high57 Ų5729 Ų2939%0.38516%0.157SC..THydrogen-bonded Turntrans-109.41.7177.6-620000113.7A112 A113 A114 Y118A112-C116 WeakPolarHBondContact O-CB 3.32Å; A112-C116 PolarHBondContact O-N 2.84Å; A112-C116 VanDerWaalsContact O-N 3.15Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.4Å; A113-C116 PolarHBondContact O-N 2.83Å; A114-C116 PolarHBondContact O-N 3.32Å; C116-Y118 VanDerWaalsContact C-N 3.3Å; C116-Y118 HydrophobicContact CB-CD2 3.45Å; C116-Y118 VanDerWaalsContact CB-CD2 3.45Å; C116-Y118 HydrophobicContact CB-CE1 4.42Å; C116-Y118 HydrophobicContact CB-CE2 3.21Å; C116-Y118 HydrophobicContact CB-CG 4.17Å; C116-Y118 PolarHBondContact O-N 3.25Å
117G95.4Very high97.4Very high17 Ų1731.7 Ų31.718%0.17517%0.172CC..THydrogen-bonded Turntrans74.69.3178.800000115.5A113 A114 L119A113-G117 PolarHBondContact O-N 3.22Å; A113-G117 VanDerWaalsContact O-N 3.17Å; A114-G117 PolarHBondContact O-N 2.82Å; A114-G117 VanDerWaalsContact O-N 3.17Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.25Å
118Y97.3Very high97.4Very high68 Ų6833.4 Ų33.427%0.26718%0.183SC..  trans-76.978.6-173.8-57-44.6000112.4C81 D84 A113 C116 D120 I121 A122C81-Y118 WeakPolarHBondContact O-CD2 3.33Å; C81-Y118 VanDerWaalsContact O-CE2 3.25Å; C81-Y118 WeakPolarHBondContact O-CE2 3.31Å; D84-Y118 HydrophobicContact CB-CD1 4.04Å; D84-Y118 HydrophobicContact CB-CD2 4.4Å; D84-Y118 HydrophobicContact CB-CE1 3.67Å; D84-Y118 HydrophobicContact CB-CE2 4.04Å; D84-Y118 HydrophobicContact CB-CG 4.41Å; D84-Y118 WeakPolarHBondContact OD1-CD1 3.45Å; A113-Y118 PolarHBondContact O-N 3.01Å; C116-Y118 VanDerWaalsContact C-N 3.3Å; C116-Y118 HydrophobicContact CB-CD2 3.45Å; C116-Y118 VanDerWaalsContact CB-CD2 3.45Å; C116-Y118 HydrophobicContact CB-CE1 4.42Å; C116-Y118 HydrophobicContact CB-CE2 3.21Å; C116-Y118 HydrophobicContact CB-CG 4.17Å; C116-Y118 PolarHBondContact O-N 3.25Å; Y118-D120 PolarHBondContact O-N 3.07Å; Y118-I121 HydrophobicContact CD2-CD1 4.44Å; Y118-I121 HydrophobicContact CG-CD1 4.4Å; Y118-I121 PolarHBondContact O-N 3.41Å; Y118-A122 PolarHBondContact O-N 2.85Å
119L97Very high97.3Very high50 Ų5035.3 Ų35.326%0.26220%0.203SC..Hα-helixtrans-56.1-48.4-173-165.872.7000112.9G117 I121 A122 E123 P150 M151 L154G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.25Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 PolarHBondContact O-N 3.19Å; L119-A122 PolarHBondContact O-N 2.72Å; L119-A122 VanDerWaalsContact O-N 3.07Å; L119-E123 PolarHBondContact O-N 2.65Å; L119-P150 HydrophobicContact CD1-CB 4.41Å; L119-P150 HydrophobicContact CD2-CB 4.28Å; L119-M151 HydrophobicContact CB-CE 4.41Å; L119-M151 HydrophobicContact CD1-CB 4.47Å; L119-M151 HydrophobicContact CD1-CE 4.31Å; L119-M151 HydrophobicContact CD1-SD 4.36Å; L119-L154 HydrophobicContact CD1-CB 4.09Å; L119-L154 HydrophobicContact CD1-CD2 3.71Å; L119-L154 HydrophobicContact CG-CD2 4.46Å
120D97.7Very high97.2Very high122 Ų12235.4 Ų35.465%0.65220%0.203SC*.Hα-helixtrans-59.7-37.7179.7-66.84.5000112.1Y118 Y124Y118-D120 PolarHBondContact O-N 3.07Å; D120-Y124 WeakPolarHBondContact O-CB 3.46Å; D120-Y124 PolarHBondContact O-N 2.91Å
121I98.3Very high97Very high1 Ų138.6 Ų38.61%0.00522%0.22CC..Hα-helixtrans-70.1-42.7175.2-66.8178.6000110.2C81 I86 V89 A113 Y118 L119 Y124 L125C81-I121 HydrophobicContact CB-CG2 4.19Å; I86-I121 HydrophobicContact CB-CG1 4.2Å; I86-I121 HydrophobicContact CD1-CG1 3.89Å; V89-I121 HydrophobicContact CG1-CG2 4.32Å; V89-I121 HydrophobicContact CG2-CD1 4.4Å; V89-I121 HydrophobicContact CG2-CG2 4.27Å; A113-I121 HydrophobicContact CB-CB 4.33Å; A113-I121 HydrophobicContact CB-CG2 3.72Å; Y118-I121 HydrophobicContact CD2-CD1 4.44Å; Y118-I121 HydrophobicContact CG-CD1 4.4Å; Y118-I121 PolarHBondContact O-N 3.41Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 PolarHBondContact O-N 3.19Å; I121-Y124 PolarHBondContact O-N 3.2Å; I121-L125 HydrophobicContact CG2-CD1 3.83Å; I121-L125 HydrophobicContact CG2-CG 4.28Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 2.98Å
122A97.9Very high96.9Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-64.1-45.9176.900000112.3L110 A113 Y118 L119 Y124 L125 I126 M151 L154L110-A122 HydrophobicContact CD1-CB 3.83Å; A113-A122 HydrophobicContact CB-CB 4.38Å; Y118-A122 PolarHBondContact O-N 2.85Å; L119-A122 PolarHBondContact O-N 2.72Å; L119-A122 VanDerWaalsContact O-N 3.07Å; A122-Y124 VanDerWaalsContact C-N 3.35Å; A122-Y124 PolarHBondContact O-N 3.34Å; A122-L125 PolarHBondContact O-N 3.27Å; A122-I126 WeakPolarHBondContact O-CB 3.38Å; A122-I126 WeakPolarHBondContact O-CD1 3.17Å; A122-I126 WeakPolarHBondContact O-CG1 3.14Å; A122-I126 PolarHBondContact O-N 3.07Å; A122-M151 HydrophobicContact CB-CE 3.72Å; A122-M151 HydrophobicContact CB-SD 3.56Å; A122-M151 VanDerWaalsContact CB-SD 3.56Å; A122-L154 HydrophobicContact CB-CD2 4Å
123E97.7Very high96.7Very high106 Ų10639.2 Ų39.250%0.49523%0.228SC..Hα-helixtrans-56.8-47.3173.1-75.9-158.517900111.3L119 I126 S127 L154L119-E123 PolarHBondContact O-N 2.65Å; E123-I126 PolarHBondContact O-N 2.83Å; E123-S127 WeakPolarHBondContact O-CB 2.93Å; E123-S127 PolarHBondContact O-N 2.72Å; E123-L154 HydrophobicContact CG-CD1 3.87Å; E123-L154 HydrophobicContact CG-CD2 3.64Å; E123-L154 HydrophobicContact CG-CG 4.43Å
124Y98.4Very high96.5Very high39 Ų3941.1 Ų41.115%0.15324%0.239CC..Hα-helixtrans-61.2-50.7177.6179-101.7000111.6I86 V89 T90 V93 D120 I121 A122 I126 S127 Q128I86-Y124 HydrophobicContact CD1-CG 4.42Å; V89-Y124 HydrophobicContact CG1-CD1 3.75Å; V89-Y124 HydrophobicContact CG1-CE1 4.05Å; T90-Y124 HydrophobicContact CG2-CD1 4.09Å; T90-Y124 HydrophobicContact CG2-CD2 3.98Å; T90-Y124 HydrophobicContact CG2-CE1 3.87Å; T90-Y124 HydrophobicContact CG2-CE2 3.77Å; T90-Y124 HydrophobicContact CG2-CG 4.13Å; T90-Y124 PolarHBondContact O-OH 3.34Å; V93-Y124 HydrophobicContact CB-CE1 4.08Å; V93-Y124 HydrophobicContact CG1-CE1 4.46Å; V93-Y124 HydrophobicContact CG2-CE1 4.21Å; D120-Y124 WeakPolarHBondContact O-CB 3.46Å; D120-Y124 PolarHBondContact O-N 2.91Å; I121-Y124 PolarHBondContact O-N 3.2Å; A122-Y124 VanDerWaalsContact C-N 3.35Å; A122-Y124 PolarHBondContact O-N 3.34Å; Y124-I126 VanDerWaalsContact C-N 3.33Å; Y124-I126 PolarHBondContact O-N 2.95Å; Y124-S127 WeakPolarHBondContact O-CA 3.09Å; Y124-S127 WeakPolarHBondContact O-CB 3.41Å; Y124-S127 PolarHBondContact O-N 2.81Å; Y124-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 PolarHBondContact O-OG 2.83Å; Y124-Q128 HydrophobicContact CD1-CG 4.3Å; Y124-Q128 HydrophobicContact CD2-CG 4.35Å; Y124-Q128 HydrophobicContact CE1-CG 3.78Å; Y124-Q128 HydrophobicContact CE2-CG 3.82Å; Y124-Q128 WeakPolarHBondContact O-CG 3.22Å; Y124-Q128 PolarHBondContact O-N 3.43Å
125L98.1Very high96.3Very high0 Ų043.1 Ų43.10%025%0.251CS..Hα-helixtrans-58.7-42.8179-71171000111.9V89 V99 P109 L110 A113 I121 A122 Q128 G129 A130V89-L125 HydrophobicContact CG1-CD2 4.17Å; V89-L125 HydrophobicContact CG1-CG 4.5Å; V99-L125 HydrophobicContact CG1-CD2 4.07Å; P109-L125 HydrophobicContact CB-CD1 4.23Å; P109-L125 HydrophobicContact CB-CD2 4.47Å; L110-L125 HydrophobicContact CB-CD1 4.4Å; L110-L125 HydrophobicContact CD1-CB 4.34Å; L110-L125 HydrophobicContact CD1-CD1 4.39Å; A113-L125 HydrophobicContact CB-CD1 4.11Å; I121-L125 HydrophobicContact CG2-CD1 3.83Å; I121-L125 HydrophobicContact CG2-CG 4.28Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 2.98Å; A122-L125 PolarHBondContact O-N 3.27Å; L125-Q128 CarbonylContact O-C 3.56Å; L125-Q128 PolarHBondContact O-N 2.87Å; L125-G129 PolarHBondContact O-N 2.99Å; L125-A130 VanDerWaalsContact C-CB 3.5Å; L125-A130 HydrophobicContact CB-CB 3.98Å; L125-A130 WeakPolarHBondContact O-CB 3.4Å; L125-A130 PolarHBondContact O-N 2.85Å
126I97.4Very high96.2Very high17 Ų1741.3 Ų41.39%0.08724%0.238CC..Hα-helixtrans-62.2-42.1174.9-69.2165.2000110.7L110 A122 E123 Y124 Q128 G129 V132 L154 L155 E158L110-I126 HydrophobicContact CD1-CD1 4.37Å; L110-I126 HydrophobicContact CD1-CG1 4.17Å; L110-I126 HydrophobicContact CD2-CG1 4.14Å; A122-I126 WeakPolarHBondContact O-CB 3.38Å; A122-I126 WeakPolarHBondContact O-CD1 3.17Å; A122-I126 WeakPolarHBondContact O-CG1 3.14Å; A122-I126 PolarHBondContact O-N 3.07Å; E123-I126 PolarHBondContact O-N 2.83Å; Y124-I126 VanDerWaalsContact C-N 3.33Å; Y124-I126 PolarHBondContact O-N 2.95Å; I126-Q128 PolarHBondContact O-N 2.97Å; I126-G129 PolarHBondContact O-N 3.19Å; I126-V132 HydrophobicContact CD1-CG1 4.12Å; I126-V132 HydrophobicContact CG1-CG1 3.98Å; I126-L154 HydrophobicContact CD1-CD2 4.08Å; I126-L154 HydrophobicContact CD1-CG 4.14Å; I126-L155 HydrophobicContact CD1-CD2 3.93Å; I126-E158 HydrophobicContact CG2-CG 3.79Å
127S96.9Very high95.9Very high76 Ų7641 Ų4153%0.53124%0.237SC..Hα-helixtrans-60.7-31.8175.484.60000113E123 Y124 G129E123-S127 WeakPolarHBondContact O-CB 2.93Å; E123-S127 PolarHBondContact O-N 2.72Å; Y124-S127 WeakPolarHBondContact O-CA 3.09Å; Y124-S127 WeakPolarHBondContact O-CB 3.41Å; Y124-S127 PolarHBondContact O-N 2.81Å; Y124-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 PolarHBondContact O-OG 2.83Å; S127-G129 VanDerWaalsContact C-N 3.3Å
128Q97.6Very high95.6Very high94 Ų9445 Ų4544%0.43925%0.251SS..THydrogen-bonded Turntrans-89.110.3176.4-56.1-49.5-59.900113.4V93 V99 Y124 L125 I126V93-Q128 HydrophobicContact CG1-CB 3.88Å; V93-Q128 HydrophobicContact CG1-CG 3.82Å; V99-Q128 HydrophobicContact CG2-CB 4.03Å; Y124-Q128 HydrophobicContact CD1-CG 4.3Å; Y124-Q128 HydrophobicContact CD2-CG 4.35Å; Y124-Q128 HydrophobicContact CE1-CG 3.78Å; Y124-Q128 HydrophobicContact CE2-CG 3.82Å; Y124-Q128 WeakPolarHBondContact O-CG 3.22Å; Y124-Q128 PolarHBondContact O-N 3.43Å; L125-Q128 CarbonylContact O-C 3.56Å; L125-Q128 PolarHBondContact O-N 2.87Å; I126-Q128 PolarHBondContact O-N 2.97Å
129G95.2Very high95.3Very high41 Ų4142.7 Ų42.742%0.42325%0.248SC..THydrogen-bonded Turntrans86.434.2174.200000115N100 L125 I126 S127N100-G129 PolarHBondContact ND2-O 3.15Å; L125-G129 PolarHBondContact O-N 2.99Å; I126-G129 PolarHBondContact O-N 3.19Å; S127-G129 VanDerWaalsContact C-N 3.3Å
130A96.9Very high95.2Very high2 Ų244 Ų442%0.01725%0.252CS..  trans-63.1135.5166.800000111.7V99 N100 L110 L125 V132V99-A130 HydrophobicContact CG1-CB 3.64Å; N100-A130 WeakPolarHBondContact OD1-CA 3.05Å; L110-A130 HydrophobicContact CB-CB 4.18Å; L110-A130 HydrophobicContact CD2-CB 3.85Å; L110-A130 HydrophobicContact CG-CB 4.47Å; L125-A130 VanDerWaalsContact C-CB 3.5Å; L125-A130 HydrophobicContact CB-CB 3.98Å; L125-A130 WeakPolarHBondContact O-CB 3.4Å; L125-A130 PolarHBondContact O-N 2.85Å; A130-V132 PolarHBondContact O-N 3.48Å
131N94.1Very high95.1Very high68 Ų6838.1 Ų38.136%0.36422%0.221SC..  trans-85.595.1-178-66.2-33.4000110.3N100 G133 V134N100-N131 WeakPolarHBondContact OD1-CB 3.43Å; N100-N131 PolarHBondContact OD1-N 2.98Å; N100-N131 PolarHBondContact OD1-ND2 3.43Å; N131-G133 PolarHBondContact O-N 3.34Å; N131-G133 VanDerWaalsContact O-N 3.07Å; N131-V134 HydrophobicContact CB-CG2 3.52Å; N131-V134 PolarHBondContact O-N 2.96Å
132V94.9Very high95Very high0 Ų038.1 Ų38.10%022%0.221CC..THydrogen-bonded Turntrans-60.4-16.1179-60.30000114.9L110 I126 A130 L155 E158 I159 L164L110-V132 HydrophobicContact CD2-CB 4.49Å; L110-V132 HydrophobicContact CD2-CG1 3.85Å; I126-V132 HydrophobicContact CD1-CG1 4.12Å; I126-V132 HydrophobicContact CG1-CG1 3.98Å; A130-V132 PolarHBondContact O-N 3.48Å; V132-L155 HydrophobicContact CG1-CD2 4.03Å; V132-E158 HydrophobicContact CB-CG 4.46Å; V132-E158 HydrophobicContact CG1-CB 4.06Å; V132-E158 HydrophobicContact CG1-CG 3.62Å; V132-E158 HydrophobicContact CG2-CB 4.47Å; V132-E158 HydrophobicContact CG2-CG 4.03Å; V132-I159 HydrophobicContact CB-CG1 4.02Å; V132-I159 HydrophobicContact CG2-CG1 3.54Å; V132-L164 HydrophobicContact CG2-CD1 3.56Å
133G92.6Very high94.9Very high21 Ų2139.2 Ų39.222%0.21623%0.227CC..THydrogen-bonded Turntrans-102.716.8179.500000115.7N131N131-G133 PolarHBondContact O-N 3.34Å; N131-G133 VanDerWaalsContact O-N 3.07Å
134V93.3Very high94.8Very high39 Ų3937.6 Ų37.624%0.23622%0.222CC..  trans-76.4136.1172.2172.80000109.5I108 H111 N131 T141I108-V134 HydrophobicContact CD1-CB 4.42Å; I108-V134 HydrophobicContact CD1-CG2 4.44Å; I108-V134 HydrophobicContact CG2-CG1 4.19Å; H111-V134 WeakPolarHBondContact NE2-CB 3.09Å; H111-V134 WeakPolarHBondContact NE2-CG1 3.42Å; H111-V134 PolarHBondContact NE2-O 3.31Å; N131-V134 HydrophobicContact CB-CG2 3.52Å; N131-V134 PolarHBondContact O-N 2.96Å; V134-T141 WeakPolarHBondContact O-CA 3.27Å; V134-T141 WeakPolarHBondContact O-CG2 3.5Å
135V94.3Very high94.6Very high43 Ų4337 Ų3726%0.26122%0.221SC..  trans-101.9139.7174-68.60000111.5E140 T141 A169 R170V135-E140 CarbonylContact C-O 3.56Å; V135-E140 VanDerWaalsContact CA-O 3.3Å; V135-E140 WeakPolarHBondContact CA-O 3.44Å; V135-T141 HydrophobicContact CG1-CG2 3.51Å; V135-A169 HydrophobicContact CG1-CB 4.43Å; V135-R170 HydrophobicContact CG1-CB 4.49Å; V135-R170 HydrophobicContact CG1-CG 3.83Å
136N93.9Very high94.5Very high7 Ų737.5 Ų37.54%0.03723%0.225CC..  trans-80.4-171.8173.677.55000112.2W107 E138 G139 E140W107-N136 PolarHBondContact NE1-ND2 3Å; N136-E138 VanDerWaalsContact C-N 3.33Å; N136-E138 PolarHBondContact O-N 2.89Å; N136-E138 WeakPolarHBondContact OD1-CA 3.23Å; N136-E138 PolarHBondContact OD1-N 3.4Å; N136-G139 PolarHBondContact O-N 3.43Å; N136-G139 PolarHBondContact OD1-N 3.46Å; N136-E140 PolarHBondContact N-O 3.47Å; N136-E140 PolarHBondContact ND2-OE2 3Å; N136-E140 PolarHBondContact OD1-N 3.43Å
137S90Very high94.3Very high50 Ų5045.3 Ų45.335%0.3526%0.261SS..THydrogen-bonded Turntrans-65.3-28.9179.3-67.80000114.6E105 G139 K209E105-S137 VanDerWaalsContact C-OG 3.26Å; E105-S137 WeakPolarHBondContact O-CB 3.47Å; E105-S137 PolarHBondContact O-N 3.03Å; E105-S137 PolarHBondContact O-OG 3.49Å; S137-G139 VanDerWaalsContact C-N 3.33Å; S137-K209 WeakPolarHBondContact O-CE 3.47Å; S137-K209 PolarHBondContact O-NZ 3.12Å
138E88.4Confident94.2Very high101 Ų10146.7 Ų46.747%0.47226%0.26SS..THydrogen-bonded Turntrans-83.1-13.8176.5-55.2-62.6175.600112N136 E140 R890N136-E138 VanDerWaalsContact C-N 3.33Å; N136-E138 PolarHBondContact O-N 2.89Å; N136-E138 WeakPolarHBondContact OD1-CA 3.23Å; N136-E138 PolarHBondContact OD1-N 3.4Å; E138-E140 HydrophobicContact CB-CG 4.27Å; E138-R890 IonicContact OE1-NH1 2.71Å
139G90.9Very high94.1Very high20 Ų2049.9 Ų49.921%0.20627%0.274CS..SBendtrans98.112.6-178.900000113.9N136 S137 R170N136-G139 PolarHBondContact O-N 3.43Å; N136-G139 PolarHBondContact OD1-N 3.46Å; S137-G139 VanDerWaalsContact C-N 3.33Å; G139-R170 VanDerWaalsContact O-CD 3.32Å; G139-R170 WeakPolarHBondContact O-CD 3.42Å; G139-R170 WeakPolarHBondContact O-CG 3.41Å; G139-R170 PolarHBondContact O-NE 2.82Å
140E94.2Very high94.2Very high76 Ų7651 Ų5136%0.35527%0.274SS..  trans-88.1141.2-179.2-57.1158.8151.200109.9V135 N136 E138 D144 I145V135-E140 CarbonylContact C-O 3.56Å; V135-E140 VanDerWaalsContact CA-O 3.3Å; V135-E140 WeakPolarHBondContact CA-O 3.44Å; N136-E140 PolarHBondContact N-O 3.47Å; N136-E140 PolarHBondContact ND2-OE2 3Å; N136-E140 PolarHBondContact OD1-N 3.43Å; E138-E140 HydrophobicContact CB-CG 4.27Å; E140-D144 HydrophobicContact CB-CB 4Å; E140-I145 HydrophobicContact CB-CD1 3.96Å; E140-I145 HydrophobicContact CB-CG1 3.88Å
141T95.6Very high94.2Very high0 Ų050.9 Ų50.90%027%0.273CS..  trans-97.4169.1168.260.90000111V134 V135 L143 D144 I145 I166V134-T141 WeakPolarHBondContact O-CA 3.27Å; V134-T141 WeakPolarHBondContact O-CG2 3.5Å; V135-T141 HydrophobicContact CG1-CG2 3.51Å; T141-L143 PolarHBondContact O-N 3.37Å; T141-L143 VanDerWaalsContact O-N 3.07Å; T141-D144 PolarHBondContact N-OD2 2.89Å; T141-D144 WeakPolarHBondContact O-CB 3.3Å; T141-D144 PolarHBondContact O-N 3.45Å; T141-D144 PolarHBondContact OG1-OD2 3.04Å; T141-I145 PolarHBondContact O-N 3.38Å; T141-I166 HydrophobicContact CG2-CG2 3.58Å
142P96.2Very high94.4Very high0 Ų052 Ų520%028%0.276CS..THydrogen-bonded Turntrans-54.6-29.6175.9-26.235.2000114.1L110 A114 A146 L155L110-P142 HydrophobicContact CB-CG 4.44Å; L110-P142 HydrophobicContact CD2-CB 4.26Å; L110-P142 HydrophobicContact CD2-CG 4.04Å; L110-P142 HydrophobicContact CG-CB 4.05Å; L110-P142 HydrophobicContact CG-CG 4.07Å; A114-P142 HydrophobicContact CB-CB 4.04Å; A114-P142 WeakPolarHBondContact CB-O 3.43Å; P142-A146 PolarHBondContact O-N 3.02Å; P142-L155 HydrophobicContact CB-CD1 4.15Å; P142-L155 HydrophobicContact CB-CD2 4.26Å; P142-L155 WeakPolarHBondContact O-CD1 3.11Å
143L96.3Very high94.5Very high24 Ų2457.9 Ų57.913%0.12630%0.304CS..THydrogen-bonded Turntrans-68.1-35.2174.117762.3000112.3T141 I145 A146 E152 L155 Q156 I159 I166T141-L143 PolarHBondContact O-N 3.37Å; T141-L143 VanDerWaalsContact O-N 3.07Å; L143-I145 PolarHBondContact O-N 2.9Å; L143-A146 PolarHBondContact O-N 3.39Å; L143-E152 HydrophobicContact CD1-CB 4.27Å; L143-L155 HydrophobicContact CB-CB 4.2Å; L143-L155 HydrophobicContact CD1-CB 4.06Å; L143-Q156 HydrophobicContact CD1-CB 4.12Å; L143-Q156 HydrophobicContact CD2-CB 4.2Å; L143-I159 HydrophobicContact CB-CD1 3.94Å; L143-I159 HydrophobicContact CD2-CD1 3.76Å; L143-I159 HydrophobicContact CG-CD1 4.47Å; L143-I166 HydrophobicContact CD2-CD1 3.96Å
144D95.3Very high94.7Very high72 Ų7258.5 Ų58.539%0.38530%0.302SS..THydrogen-bonded Turntrans-74.1-14.9-179-59.8-58.3000113E140 T141 R170E140-D144 HydrophobicContact CB-CB 4Å; T141-D144 PolarHBondContact N-OD2 2.89Å; T141-D144 WeakPolarHBondContact O-CB 3.3Å; T141-D144 PolarHBondContact O-N 3.45Å; T141-D144 PolarHBondContact OG1-OD2 3.04Å; D144-R170 IonicContact OD1-CZ 3.27Å; D144-R170 IonicContact OD1-NH2 3.21Å; D144-R170 PolarHBondContact OD1-NH2 2.89Å; D144-R170 IonicContact OD2-CZ 3.44Å; D144-R170 IonicContact OD2-NE 2.75Å; D144-R170 IonicContact OD2-NH2 3.14Å; D144-R170 PolarHBondContact OD2-NH2 3.16Å
145I95.6Very high94.9Very high25 Ų2556.7 Ų56.713%0.12829%0.291CS..THydrogen-bonded Turntrans-110.91.4179.7-36.9-175.9000111.6W107 S115 E140 T141 L143 E147W107-I145 HydrophobicContact CH2-CD1 3.76Å; W107-I145 HydrophobicContact CH2-CG2 3.9Å; W107-I145 HydrophobicContact CZ2-CD1 3.63Å; W107-I145 HydrophobicContact CZ3-CD1 4.33Å; S115-I145 WeakPolarHBondContact CA-O 3.28Å; E140-I145 HydrophobicContact CB-CD1 3.96Å; E140-I145 HydrophobicContact CB-CG1 3.88Å; T141-I145 PolarHBondContact O-N 3.38Å; L143-I145 PolarHBondContact O-N 2.9Å; I145-E147 PolarHBondContact O-N 2.88Å
146A96Very high94.9Very high12 Ų1258.2 Ų58.210%0.09930%0.295CS..  trans-74.1120.5172.500000109.8P142 L143 M151 E152 L155P142-A146 PolarHBondContact O-N 3.02Å; L143-A146 PolarHBondContact O-N 3.39Å; A146-M151 HydrophobicContact CB-CB 4.15Å; A146-M151 HydrophobicContact CB-CG 3.69Å; A146-E152 HydrophobicContact CB-CG 3.95Å; A146-L155 HydrophobicContact CB-CD1 4.22Å
147E93.1Very high95Very high180 Ų18062 Ų6284%0.84132%0.315SS*.  trans-95.7-5.9175.1-63-166.9167.900113.4I145I145-E147 PolarHBondContact O-N 2.88Å
148E94.6Very high95.3Very high106 Ų10660.1 Ų60.150%0.49530%0.301SS..SBendtrans-115.1128.3-177.1-64.3-156.4162.200112.9P150 M151 E152E148-P150 VanDerWaalsContact C-CD 3.5Å; E148-P150 HydrophobicContact CB-CG 4.31Å; E148-M151 HydrophobicContact CB-CB 4.37Å; E148-M151 WeakPolarHBondContact O-CA 3.37Å; E148-M151 WeakPolarHBondContact O-CB 3.21Å; E148-M151 PolarHBondContact O-N 3.31Å; E148-E152 PolarHBondContact O-N 2.98Å
149E95.7Very high95.6Very high161 Ų16155.4 Ų55.475%0.75228%0.279SS*.Hα-helixtrans-43.5-46.2176.4-173.8176.2-163.800115.3M151 E152 E153E149-M151 PolarHBondContact O-N 3.16Å; E149-E152 PolarHBondContact O-N 2.87Å; E149-E153 WeakPolarHBondContact O-CB 3.02Å; E149-E153 PolarHBondContact O-N 3.46Å
150P96.9Very high95.8Very high63 Ų6359.5 Ų59.541%0.40930%0.296SS..Hα-helixtrans-67.8-30.7175.926.1-36.4000114.1L119 E148 L154L119-P150 HydrophobicContact CD1-CB 4.41Å; L119-P150 HydrophobicContact CD2-CB 4.28Å; E148-P150 VanDerWaalsContact C-CD 3.5Å; E148-P150 HydrophobicContact CB-CG 4.31Å; P150-L154 WeakPolarHBondContact O-CB 3.5Å; P150-L154 PolarHBondContact O-N 2.92Å
151M97.3Very high95.9Very high0 Ų064.7 Ų64.70%031%0.313CS..Hα-helixtrans-73.8-42.3175.6-176.966.971.900110.6A114 L119 A122 A146 E148 E149 L154 L155A114-M151 HydrophobicContact CB-CG 4.16Å; A114-M151 HydrophobicContact CB-SD 4.18Å; L119-M151 HydrophobicContact CB-CE 4.41Å; L119-M151 HydrophobicContact CD1-CB 4.47Å; L119-M151 HydrophobicContact CD1-CE 4.31Å; L119-M151 HydrophobicContact CD1-SD 4.36Å; A122-M151 HydrophobicContact CB-CE 3.72Å; A122-M151 HydrophobicContact CB-SD 3.56Å; A122-M151 VanDerWaalsContact CB-SD 3.56Å; A146-M151 HydrophobicContact CB-CB 4.15Å; A146-M151 HydrophobicContact CB-CG 3.69Å; E148-M151 HydrophobicContact CB-CB 4.37Å; E148-M151 WeakPolarHBondContact O-CA 3.37Å; E148-M151 WeakPolarHBondContact O-CB 3.21Å; E148-M151 PolarHBondContact O-N 3.31Å; E149-M151 PolarHBondContact O-N 3.16Å; M151-L154 PolarHBondContact O-N 3.48Å; M151-L155 HydrophobicContact CG-CD1 3.84Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 WeakPolarHBondContact O-CG 2.92Å; M151-L155 PolarHBondContact O-N 2.84Å; M151-L155 HydrophobicContact SD-CD1 3.95Å; M151-L155 HydrophobicContact SD-CG 4.35Å
152E96.7Very high95.8Very high91 Ų9169.1 Ų69.143%0.42533%0.333SS..Hα-helixtrans-56.2-50.5169.7-70.4-179-13800110.9L143 A146 E148 E149 L154 L155 Q156L143-E152 HydrophobicContact CD1-CB 4.27Å; A146-E152 HydrophobicContact CB-CG 3.95Å; E148-E152 PolarHBondContact O-N 2.98Å; E149-E152 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 3.42Å; E152-L155 PolarHBondContact O-N 3.37Å; E152-Q156 WeakPolarHBondContact O-CB 3.37Å; E152-Q156 PolarHBondContact O-N 2.9Å
153E97.1Very high95.6Very high124 Ų12472.2 Ų72.258%0.57937%0.365SS*.Hα-helixtrans-61-45.1179.6179.3168.8-161.400111.7E149 N157E149-E153 WeakPolarHBondContact O-CB 3.02Å; E149-E153 PolarHBondContact O-N 3.46Å; E153-N157 WeakPolarHBondContact CG-ND2 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.36Å; E153-N157 VanDerWaalsContact O-CG 3.31Å; E153-N157 PolarHBondContact O-N 3.14Å; E153-N157 PolarHBondContact O-ND2 2.9Å; E153-N157 PolarHBondContact OE1-ND2 3.44Å
154L97.4Very high95.4Very high35 Ų3574.4 Ų74.418%0.18338%0.377CS..Hα-helixtrans-57.6-52.8177.4177.668.3000111.4L119 A122 E123 I126 P150 M151 E152 N157 E158L119-L154 HydrophobicContact CD1-CB 4.09Å; L119-L154 HydrophobicContact CD1-CD2 3.71Å; L119-L154 HydrophobicContact CG-CD2 4.46Å; A122-L154 HydrophobicContact CB-CD2 4Å; E123-L154 HydrophobicContact CG-CD1 3.87Å; E123-L154 HydrophobicContact CG-CD2 3.64Å; E123-L154 HydrophobicContact CG-CG 4.43Å; I126-L154 HydrophobicContact CD1-CD2 4.08Å; I126-L154 HydrophobicContact CD1-CG 4.14Å; P150-L154 WeakPolarHBondContact O-CB 3.5Å; P150-L154 PolarHBondContact O-N 2.92Å; M151-L154 PolarHBondContact O-N 3.48Å; E152-L154 PolarHBondContact O-N 3.42Å; L154-N157 PolarHBondContact O-N 2.89Å; L154-E158 WeakPolarHBondContact O-CB 3.33Å; L154-E158 PolarHBondContact O-N 2.94Å
155L96.8Very high95.2Very high0 Ų076 Ų760%039%0.385CS..Hα-helixtrans-69.7-41.5-175.8-69.2167.1000111.8L110 A114 I126 V132 P142 L143 A146 M151 E152 E158 I159L110-L155 HydrophobicContact CD1-CD2 4.37Å; L110-L155 HydrophobicContact CD2-CD2 4.08Å; L110-L155 HydrophobicContact CG-CD2 4.42Å; A114-L155 HydrophobicContact CB-CD1 3.84Å; I126-L155 HydrophobicContact CD1-CD2 3.93Å; V132-L155 HydrophobicContact CG1-CD2 4.03Å; P142-L155 HydrophobicContact CB-CD1 4.15Å; P142-L155 HydrophobicContact CB-CD2 4.26Å; P142-L155 WeakPolarHBondContact O-CD1 3.11Å; L143-L155 HydrophobicContact CB-CB 4.2Å; L143-L155 HydrophobicContact CD1-CB 4.06Å; A146-L155 HydrophobicContact CB-CD1 4.22Å; M151-L155 HydrophobicContact CG-CD1 3.84Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 WeakPolarHBondContact O-CG 2.92Å; M151-L155 PolarHBondContact O-N 2.84Å; M151-L155 HydrophobicContact SD-CD1 3.95Å; M151-L155 HydrophobicContact SD-CG 4.35Å; E152-L155 PolarHBondContact O-N 3.37Å; L155-E158 PolarHBondContact O-N 3.18Å; L155-I159 WeakPolarHBondContact O-CB 3.42Å; L155-I159 WeakPolarHBondContact O-CD1 3.3Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.16Å; L155-I159 PolarHBondContact O-N 3.4Å
156Q96.1Very high94.9Very high75 Ų7576.1 Ų76.135%0.3539%0.386SS..Hα-helixtrans-66.3-39.8177.2-178.558.1100.900111.4L143 E152 N160L143-Q156 HydrophobicContact CD1-CB 4.12Å; L143-Q156 HydrophobicContact CD2-CB 4.2Å; E152-Q156 WeakPolarHBondContact O-CB 3.37Å; E152-Q156 PolarHBondContact O-N 2.9Å; Q156-N160 PolarHBondContact NE2-ND2 2.9Å; Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.44Å; Q156-N160 PolarHBondContact O-N 3.02Å; Q156-N160 PolarHBondContact O-ND2 3.21Å
157N95.8Very high94.6Very high86 Ų8679.2 Ų79.246%0.4640%0.398SS..Hα-helixtrans-64.4-39.7172.2-81.7-42.7000111.7E153 L154 N160 R161E153-N157 WeakPolarHBondContact CG-ND2 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.36Å; E153-N157 VanDerWaalsContact O-CG 3.31Å; E153-N157 PolarHBondContact O-N 3.14Å; E153-N157 PolarHBondContact O-ND2 2.9Å; E153-N157 PolarHBondContact OE1-ND2 3.44Å; L154-N157 PolarHBondContact O-N 2.89Å; N157-N160 PolarHBondContact O-N 3.29Å; N157-R161 WeakPolarHBondContact O-CB 3.49Å; N157-R161 PolarHBondContact O-N 3.26Å
158E95.9Very high94.5Very high11 Ų1172.9 Ų72.95%0.05138%0.377CS..Hα-helixtrans-65.9-44.4177.3-170.457.7-143.100112.5I126 V132 L154 L155 N160 R161 Q162I126-E158 HydrophobicContact CG2-CG 3.79Å; V132-E158 HydrophobicContact CB-CG 4.46Å; V132-E158 HydrophobicContact CG1-CB 4.06Å; V132-E158 HydrophobicContact CG1-CG 3.62Å; V132-E158 HydrophobicContact CG2-CB 4.47Å; V132-E158 HydrophobicContact CG2-CG 4.03Å; L154-E158 WeakPolarHBondContact O-CB 3.33Å; L154-E158 PolarHBondContact O-N 2.94Å; L155-E158 PolarHBondContact O-N 3.18Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 3.18Å; E158-R161 VanDerWaalsContact CD-CZ 3.41Å; E158-R161 WeakPolarHBondContact O-CB 3.19Å; E158-R161 PolarHBondContact O-N 3.26Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 IonicContact OE1-CZ 2.63Å; E158-R161 IonicContact OE1-NE 3.52Å; E158-R161 PolarHBondContact OE1-NE 2.87Å; E158-R161 IonicContact OE1-NH2 2.69Å; E158-R161 PolarHBondContact OE1-NH2 3.43Å; E158-R161 IonicContact OE2-CZ 3.51Å; E158-R161 IonicContact OE2-NE 3.7Å; E158-R161 PolarHBondContact OE2-NE 3.41Å; E158-R161 IonicContact OE2-NH1 3.92Å; E158-R161 PolarHBondContact OE2-NH1 2.98Å; E158-R161 IonicContact OE2-NH2 3.54Å; E158-R161 PolarHBondContact OE2-NH2 3.37Å; E158-Q162 WeakPolarHBondContact O-CG 3.16Å; E158-Q162 PolarHBondContact O-N 2.64Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.44Å; E158-Q162 PolarHBondContact OE1-NE2 3.4Å
159I95.3Very high94.3Very high3 Ų369.2 Ų69.22%0.01537%0.365CS..Hα-helixtrans-58.2-45.3174.8-74.9162.6000110.6V132 L143 L155 Q162 G163 L164 I166V132-I159 HydrophobicContact CB-CG1 4.02Å; V132-I159 HydrophobicContact CG2-CG1 3.54Å; L143-I159 HydrophobicContact CB-CD1 3.94Å; L143-I159 HydrophobicContact CD2-CD1 3.76Å; L143-I159 HydrophobicContact CG-CD1 4.47Å; L155-I159 WeakPolarHBondContact O-CB 3.42Å; L155-I159 WeakPolarHBondContact O-CD1 3.3Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.16Å; L155-I159 PolarHBondContact O-N 3.4Å; I159-Q162 PolarHBondContact O-N 3.08Å; I159-G163 PolarHBondContact O-N 2.89Å; I159-L164 HydrophobicContact CG2-CB 4.3Å; I159-L164 PolarHBondContact O-N 3.35Å; I159-L164 VanDerWaalsContact O-N 3.08Å; I159-I166 HydrophobicContact CD1-CD1 3.96Å; I159-I166 HydrophobicContact CD1-CG1 4.33Å; I159-I166 HydrophobicContact CG2-CD1 4.03Å; I159-I166 HydrophobicContact CG2-CG1 3.86Å
160N95.1Very high94Very high106 Ų10665 Ų6557%0.56734%0.341SS*.Hα-helixtrans-66.3-36.8176-73.1-31000112.4Q156 N157 E158 G163Q156-N160 PolarHBondContact NE2-ND2 2.9Å; Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.44Å; Q156-N160 PolarHBondContact O-N 3.02Å; Q156-N160 PolarHBondContact O-ND2 3.21Å; N157-N160 PolarHBondContact O-N 3.29Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 3.18Å; N160-G163 PolarHBondContact O-N 2.88Å
161R95Very high93.8Very high185 Ų18567 Ų6770%0.69834%0.344SS*.Hα-helixtrans-67.2-38.6177.5-173.3177.983.8172.78.2112.3N157 E158N157-R161 WeakPolarHBondContact O-CB 3.49Å; N157-R161 PolarHBondContact O-N 3.26Å; E158-R161 VanDerWaalsContact CD-CZ 3.41Å; E158-R161 WeakPolarHBondContact O-CB 3.19Å; E158-R161 PolarHBondContact O-N 3.26Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 IonicContact OE1-CZ 2.63Å; E158-R161 IonicContact OE1-NE 3.52Å; E158-R161 PolarHBondContact OE1-NE 2.87Å; E158-R161 IonicContact OE1-NH2 2.69Å; E158-R161 PolarHBondContact OE1-NH2 3.43Å; E158-R161 IonicContact OE2-CZ 3.51Å; E158-R161 IonicContact OE2-NE 3.7Å; E158-R161 PolarHBondContact OE2-NE 3.41Å; E158-R161 IonicContact OE2-NH1 3.92Å; E158-R161 PolarHBondContact OE2-NH1 2.98Å; E158-R161 IonicContact OE2-NH2 3.54Å; E158-R161 PolarHBondContact OE2-NH2 3.37Å
162Q94.1Very high93.5Very high92 Ų9270.1 Ų70.143%0.4336%0.359SS..Hα-helixtrans-82.6-18175.9-64.5-171.531.400112.9E158 I159 L164E158-Q162 WeakPolarHBondContact O-CG 3.16Å; E158-Q162 PolarHBondContact O-N 2.64Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.44Å; E158-Q162 PolarHBondContact OE1-NE2 3.4Å; I159-Q162 PolarHBondContact O-N 3.08Å; Q162-L164 HydrophobicContact CB-CD1 3.92Å; Q162-L164 HydrophobicContact CB-CG 3.77Å
163G91.7Very high93.3Very high65 Ų6569.3 Ų69.367%0.6736%0.355SS*.THydrogen-bonded Turntrans71.535.8-178.100000113I159 N160I159-G163 PolarHBondContact O-N 2.89Å; N160-G163 PolarHBondContact O-N 2.88Å
164L91.3Very high93.1Very high71 Ų7165.7 Ų65.737%0.37234%0.338SS..  trans-82.9129-175-67.2170.2000111.8V132 I159 Q162 I166V132-L164 HydrophobicContact CG2-CD1 3.56Å; I159-L164 HydrophobicContact CG2-CB 4.3Å; I159-L164 PolarHBondContact O-N 3.35Å; I159-L164 VanDerWaalsContact O-N 3.08Å; Q162-L164 HydrophobicContact CB-CD1 3.92Å; Q162-L164 HydrophobicContact CB-CG 3.77Å; L164-I166 PolarHBondContact O-N 3.37Å
165D91.6Very high93Very high104 Ų10470.3 Ų70.356%0.55635%0.353SS*.  trans-85.196.7169.3-175.8-14000109.4E167 A168 A169D165-E167 PolarHBondContact O-N 3.04Å; D165-E167 PolarHBondContact OD1-N 3.43Å; D165-A168 HydrophobicContact CB-CB 3.85Å; D165-A168 VanDerWaalsContact CG-CB 3.41Å; D165-A168 PolarHBondContact O-N 3.39Å; D165-A168 PolarHBondContact OD1-N 3.46Å; D165-A168 WeakPolarHBondContact OD2-CB 3.27Å; D165-A169 PolarHBondContact O-N 2.73Å; D165-A169 VanDerWaalsContact O-N 3.14Å
166I89.1Confident92.9Very high28 Ų2874 Ų7414%0.14437%0.371CS..Hα-helixtrans-57.3-39.9178-42.5176.9000110.6T141 L143 I159 L164 A169 R170T141-I166 HydrophobicContact CG2-CG2 3.58Å; L143-I166 HydrophobicContact CD2-CD1 3.96Å; I159-I166 HydrophobicContact CD1-CD1 3.96Å; I159-I166 HydrophobicContact CD1-CG1 4.33Å; I159-I166 HydrophobicContact CG2-CD1 4.03Å; I159-I166 HydrophobicContact CG2-CG1 3.86Å; L164-I166 PolarHBondContact O-N 3.37Å; I166-A169 WeakPolarHBondContact O-CA 3.47Å; I166-A169 WeakPolarHBondContact O-CB 3.41Å; I166-A169 PolarHBondContact O-N 3.11Å; I166-R170 WeakPolarHBondContact O-CG 3.27Å; I166-R170 PolarHBondContact O-N 3.29Å
167E90Very high92.8Very high78 Ų7871.5 Ų71.536%0.36436%0.36SS..Hα-helixtrans-75.6-31.9-172.7-171.959.3-166.900111.8D165 A169 R170 K171D165-E167 PolarHBondContact O-N 3.04Å; D165-E167 PolarHBondContact OD1-N 3.43Å; E167-A169 VanDerWaalsContact C-N 3.35Å; E167-R170 IonicContact OE2-CZ 3.35Å; E167-R170 IonicContact OE2-NH1 2.63Å; E167-R170 PolarHBondContact OE2-NH1 2.97Å; E167-K171 HydrophobicContact CG-CD 4.41Å; E167-K171 WeakPolarHBondContact O-CB 3.25Å; E167-K171 PolarHBondContact O-N 2.77Å; E167-K171 VanDerWaalsContact OE1-CE 3.28Å; E167-K171 WeakPolarHBondContact OE1-CE 3.42Å; E167-K171 IonicContact OE1-NZ 2.65Å; E167-K171 PolarHBondContact OE1-NZ 2.91Å
168A90.6Very high92.8Very high47 Ų4769.1 Ų69.139%0.38835%0.347SS..Hα-helixtrans-64.2-37.6164.900000112.2D165 K171 E172D165-A168 HydrophobicContact CB-CB 3.85Å; D165-A168 VanDerWaalsContact CG-CB 3.41Å; D165-A168 PolarHBondContact O-N 3.39Å; D165-A168 PolarHBondContact OD1-N 3.46Å; D165-A168 WeakPolarHBondContact OD2-CB 3.27Å; A168-K171 CarbonylContact O-C 3.6Å; A168-K171 PolarHBondContact O-N 2.67Å; A168-E172 PolarHBondContact O-N 2.96Å
169A90.3Very high92.8Very high29 Ų2976 Ų7624%0.2437%0.373CS..Hα-helixtrans-65.1-46.317700000112.1V135 D165 I166 E167 K171 E172V135-A169 HydrophobicContact CG1-CB 4.43Å; D165-A169 PolarHBondContact O-N 2.73Å; D165-A169 VanDerWaalsContact O-N 3.14Å; I166-A169 WeakPolarHBondContact O-CA 3.47Å; I166-A169 WeakPolarHBondContact O-CB 3.41Å; I166-A169 PolarHBondContact O-N 3.11Å; E167-A169 VanDerWaalsContact C-N 3.35Å; A169-K171 VanDerWaalsContact C-N 3.26Å; A169-K171 PolarHBondContact O-N 3.25Å; A169-E172 WeakPolarHBondContact O-CB 3.36Å; A169-E172 PolarHBondContact O-N 3.47Å; A169-E172 VanDerWaalsContact O-N 3.12Å
170R90.9Very high92.8Very high71 Ų7178.5 Ų78.527%0.26839%0.386SS..Hα-helixtrans-56.9-39.3173.8-62.6-170-169.2110.40.3112.6V135 G139 D144 I166 E167V135-R170 HydrophobicContact CG1-CB 4.49Å; V135-R170 HydrophobicContact CG1-CG 3.83Å; G139-R170 VanDerWaalsContact O-CD 3.32Å; G139-R170 WeakPolarHBondContact O-CD 3.42Å; G139-R170 WeakPolarHBondContact O-CG 3.41Å; G139-R170 PolarHBondContact O-NE 2.82Å; D144-R170 IonicContact OD1-CZ 3.27Å; D144-R170 IonicContact OD1-NH2 3.21Å; D144-R170 PolarHBondContact OD1-NH2 2.89Å; D144-R170 IonicContact OD2-CZ 3.44Å; D144-R170 IonicContact OD2-NE 2.75Å; D144-R170 IonicContact OD2-NH2 3.14Å; D144-R170 PolarHBondContact OD2-NH2 3.16Å; I166-R170 WeakPolarHBondContact O-CG 3.27Å; I166-R170 PolarHBondContact O-N 3.29Å; E167-R170 IonicContact OE2-CZ 3.35Å; E167-R170 IonicContact OE2-NH1 2.63Å; E167-R170 PolarHBondContact OE2-NH1 2.97Å
171K92.1Very high92.8Very high107 Ų10773.4 Ų73.447%0.46536%0.359SS..Hα-helixtrans-83.5-5.9180-76.7163.3171.8151.10114.3E167 A168 A169 E173 E174 R175E167-K171 HydrophobicContact CG-CD 4.41Å; E167-K171 WeakPolarHBondContact O-CB 3.25Å; E167-K171 PolarHBondContact O-N 2.77Å; E167-K171 VanDerWaalsContact OE1-CE 3.28Å; E167-K171 WeakPolarHBondContact OE1-CE 3.42Å; E167-K171 IonicContact OE1-NZ 2.65Å; E167-K171 PolarHBondContact OE1-NZ 2.91Å; A168-K171 CarbonylContact O-C 3.6Å; A168-K171 PolarHBondContact O-N 2.67Å; A169-K171 VanDerWaalsContact C-N 3.26Å; A169-K171 PolarHBondContact O-N 3.25Å; K171-E173 PolarHBondContact O-N 2.97Å; K171-E174 PolarHBondContact O-N 2.81Å; K171-R175 WeakPolarHBondContact O-CB 3.47Å; K171-R175 PolarHBondContact O-N 2.92Å
172E91.3Very high92.8Very high65 Ų6571.1 Ų71.130%0.30435%0.35SS..Hα-helixtrans-66.4-40.2-174.7-174.258.6-154.300112.4A168 A169 R175 I176A168-E172 PolarHBondContact O-N 2.96Å; A169-E172 WeakPolarHBondContact O-CB 3.36Å; A169-E172 PolarHBondContact O-N 3.47Å; A169-E172 VanDerWaalsContact O-N 3.12Å; E172-R175 PolarHBondContact O-N 3.47Å; E172-R175 IonicContact OE1-CZ 3.37Å; E172-R175 IonicContact OE1-NE 3.73Å; E172-R175 IonicContact OE1-NH2 2.66Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 3.07Å; E172-R175 IonicContact OE2-NE 2.75Å; E172-R175 PolarHBondContact OE2-NE 2.9Å; E172-R175 IonicContact OE2-NH2 2.65Å; E172-R175 PolarHBondContact OE2-NH2 3.39Å; E172-I176 HydrophobicContact CG-CD1 3.93Å; E172-I176 HydrophobicContact CG-CG1 4.48Å; E172-I176 VanDerWaalsContact O-CG1 3.28Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 3.29Å; E172-I176 WeakPolarHBondContact OE1-CD1 3.49Å; E172-I176 WeakPolarHBondContact OE1-CG1 3.49Å
173E91.6Very high92.8Very high73 Ų7370.8 Ų70.834%0.34135%0.349SS..Hα-helixtrans-59.2-55175.7-176.6178-141.700110.8K171 R175 I176 M177 K209 Y211K171-E173 PolarHBondContact O-N 2.97Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.79Å; E173-I176 PolarHBondContact O-N 2.94Å; E173-M177 HydrophobicContact CG-SD 4.17Å; E173-M177 VanDerWaalsContact O-CG 3.31Å; E173-M177 WeakPolarHBondContact O-CG 3.42Å; E173-M177 PolarHBondContact O-N 3.21Å; E173-K209 IonicContact OE2-NZ 2.79Å; E173-K209 PolarHBondContact OE2-NZ 3.48Å; E173-Y211 HydrophobicContact CG-CE2 4.1Å; E173-Y211 PolarHBondContact OE2-OH 2.61Å; E173-Y211 VanDerWaalsContact OE2-OH 3.13Å
174E93.9Very high93Very high48 Ų4869 Ų6922%0.22432%0.322CS..Hα-helixtrans-58.8-41.8177.2-172.8174.1-151.200111.7K171 I176 M177 L178 Y211 V214K171-E174 PolarHBondContact O-N 2.81Å; E174-I176 PolarHBondContact O-N 3.28Å; E174-M177 PolarHBondContact O-N 3.15Å; E174-L178 HydrophobicContact CG-CD1 3.96Å; E174-L178 HydrophobicContact CG-CG 4.09Å; E174-L178 WeakPolarHBondContact O-CB 3.26Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.21Å; E174-L178 PolarHBondContact O-N 3.28Å; E174-Y211 HydrophobicContact CB-CD1 3.79Å; E174-Y211 HydrophobicContact CB-CD2 4.23Å; E174-Y211 HydrophobicContact CB-CE1 3.68Å; E174-Y211 HydrophobicContact CB-CE2 4.11Å; E174-Y211 HydrophobicContact CB-CG 4.09Å; E174-Y211 VanDerWaalsContact CD-CD1 3.44Å; E174-Y211 HydrophobicContact CG-CD1 3.68Å; E174-Y211 HydrophobicContact CG-CD2 4.33Å; E174-Y211 HydrophobicContact CG-CE1 4.11Å; E174-Y211 HydrophobicContact CG-CG 3.82Å; E174-V214 HydrophobicContact CG-CG2 4.04Å
175R94.6Very high93.1Very high133 Ų13368.4 Ų68.450%0.50232%0.319SS..Hα-helixtrans-64.1-39.1-178.8-169.5-17772.775.7-8112.3K171 E172 E173 R179K171-R175 WeakPolarHBondContact O-CB 3.47Å; K171-R175 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 3.47Å; E172-R175 IonicContact OE1-CZ 3.37Å; E172-R175 IonicContact OE1-NE 3.73Å; E172-R175 IonicContact OE1-NH2 2.66Å; E172-R175 PolarHBondContact OE1-NH2 3.25Å; E172-R175 IonicContact OE2-CZ 3.07Å; E172-R175 IonicContact OE2-NE 2.75Å; E172-R175 PolarHBondContact OE2-NE 2.9Å; E172-R175 IonicContact OE2-NH2 2.65Å; E172-R175 PolarHBondContact OE2-NH2 3.39Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.79Å; R175-R179 WeakPolarHBondContact O-CB 3.43Å; R175-R179 PolarHBondContact O-N 3.41Å; R175-R179 VanDerWaalsContact O-N 3.14Å
176I94.2Very high93.2Very high76 Ų7670.1 Ų70.139%0.3933%0.328SS..Hα-helixtrans-65.4-50.3171.9-68.5165.8000109.5E172 E173 E174 L178 R179 D180E172-I176 HydrophobicContact CG-CD1 3.93Å; E172-I176 HydrophobicContact CG-CG1 4.48Å; E172-I176 VanDerWaalsContact O-CG1 3.28Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 3.29Å; E172-I176 WeakPolarHBondContact OE1-CD1 3.49Å; E172-I176 WeakPolarHBondContact OE1-CG1 3.49Å; E173-I176 PolarHBondContact O-N 2.94Å; E174-I176 PolarHBondContact O-N 3.28Å; I176-L178 PolarHBondContact O-N 3.42Å; I176-R179 WeakPolarHBondContact O-CA 3.25Å; I176-R179 WeakPolarHBondContact O-CB 3.24Å; I176-R179 PolarHBondContact O-N 2.93Å; I176-R179 VanDerWaalsContact O-N 3.08Å; I176-D180 PolarHBondContact O-N 3.36Å
177M94.8Very high93.4Very high24 Ų2472.4 Ų72.412%0.11835%0.346CS..Hα-helixtrans-61.7-39-179.2-68-175.681.200113.1E173 E174 D180 A181 A202 V205 A206 Y211 V214E173-M177 HydrophobicContact CG-SD 4.17Å; E173-M177 VanDerWaalsContact O-CG 3.31Å; E173-M177 WeakPolarHBondContact O-CG 3.42Å; E173-M177 PolarHBondContact O-N 3.21Å; E174-M177 PolarHBondContact O-N 3.15Å; M177-D180 PolarHBondContact O-N 2.88Å; M177-A181 WeakPolarHBondContact O-CB 3.5Å; M177-A181 PolarHBondContact O-N 3.46Å; M177-A202 HydrophobicContact CE-CB 3.96Å; M177-A202 WeakPolarHBondContact CE-O 3.44Å; M177-V205 HydrophobicContact CE-CB 3.76Å; M177-V205 HydrophobicContact CE-CG1 3.93Å; M177-V205 HydrophobicContact SD-CB 4.25Å; M177-V205 HydrophobicContact SD-CG1 3.71Å; M177-A206 HydrophobicContact CE-CB 4.12Å; M177-Y211 HydrophobicContact SD-CD2 3.85Å; M177-Y211 HydrophobicContact SD-CE2 4.06Å; M177-V214 HydrophobicContact CB-CG1 3.88Å; M177-V214 HydrophobicContact CB-CG2 3.88Å; M177-V214 HydrophobicContact CE-CG1 4.08Å
178L95.6Very high93.4Very high36 Ų3671.9 Ų71.919%0.18836%0.361CS..Hα-helixtrans-62.6-42.3173-78.5173.8000111.3E174 I176 R182 E213 V214 L217E174-L178 HydrophobicContact CG-CD1 3.96Å; E174-L178 HydrophobicContact CG-CG 4.09Å; E174-L178 WeakPolarHBondContact O-CB 3.26Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.21Å; E174-L178 PolarHBondContact O-N 3.28Å; I176-L178 PolarHBondContact O-N 3.42Å; L178-R182 WeakPolarHBondContact O-CB 3.41Å; L178-R182 VanDerWaalsContact O-CD 3.27Å; L178-R182 WeakPolarHBondContact O-CD 3.45Å; L178-R182 WeakPolarHBondContact O-CG 3.2Å; L178-R182 PolarHBondContact O-N 2.67Å; L178-R182 VanDerWaalsContact O-N 3.12Å; L178-E213 HydrophobicContact CD2-CB 3.8Å; L178-V214 HydrophobicContact CB-CG2 4.4Å; L178-V214 HydrophobicContact CD2-CB 4.41Å; L178-V214 HydrophobicContact CD2-CG2 3.55Å; L178-V214 HydrophobicContact CG-CG2 3.58Å; L178-L217 HydrophobicContact CD2-CD1 4.07Å
179R95.4Very high93.4Very high156 Ų15675.3 Ų75.359%0.58937%0.369SS*.Hα-helixtrans-64-42.3176.7158.8174.6174.7-177.2-2.4111.3R175 I176 Q183R175-R179 WeakPolarHBondContact O-CB 3.43Å; R175-R179 PolarHBondContact O-N 3.41Å; R175-R179 VanDerWaalsContact O-N 3.14Å; I176-R179 WeakPolarHBondContact O-CA 3.25Å; I176-R179 WeakPolarHBondContact O-CB 3.24Å; I176-R179 PolarHBondContact O-N 2.93Å; I176-R179 VanDerWaalsContact O-N 3.08Å; R179-Q183 WeakPolarHBondContact O-CG 3.49Å; R179-Q183 PolarHBondContact O-N 3.28Å; R179-Q183 VanDerWaalsContact O-N 3.11Å; R179-Q183 PolarHBondContact O-NE2 3.27Å
180D94.9Very high93.4Very high54 Ų5476.7 Ų76.729%0.28937%0.372SS..Hα-helixtrans-79.5-38.4-176.7-71-14.7000112.2I176 M177 R182 Q183 W184I176-D180 PolarHBondContact O-N 3.36Å; M177-D180 PolarHBondContact O-N 2.88Å; D180-R182 VanDerWaalsContact C-N 3.29Å; D180-R182 PolarHBondContact O-N 2.99Å; D180-Q183 WeakPolarHBondContact O-CB 3.42Å; D180-Q183 PolarHBondContact O-N 2.96Å; D180-Q183 PolarHBondContact OD1-NE2 3.41Å; D180-W184 HydrophobicContact CB-CZ2 4.34Å; D180-W184 VanDerWaalsContact O-CG 3.31Å; D180-W184 PolarHBondContact O-N 2.89Å
181A95.5Very high93.2Very high0 Ų079.4 Ų79.40%039%0.388CS..Hα-helixtrans-57.1-41.4169.600000112M177 W184 L185 V214 L217 L218M177-A181 WeakPolarHBondContact O-CB 3.5Å; M177-A181 PolarHBondContact O-N 3.46Å; A181-W184 PolarHBondContact O-N 3.05Å; A181-L185 VanDerWaalsContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 PolarHBondContact O-N 2.92Å; A181-V214 HydrophobicContact CB-CG1 4.47Å; A181-L217 HydrophobicContact CB-CB 3.92Å; A181-L218 HydrophobicContact CB-CD2 3.58Å; A181-L218 HydrophobicContact CB-CG 4.07Å
182R95.5Very high93.1Very high137 Ų13776.4 Ų76.452%0.51738%0.377SS..Hα-helixtrans-65.7-37.1173.6-72167-168.4-99.62.9112.5L178 D180 N186 L217L178-R182 WeakPolarHBondContact O-CB 3.41Å; L178-R182 VanDerWaalsContact O-CD 3.27Å; L178-R182 WeakPolarHBondContact O-CD 3.45Å; L178-R182 WeakPolarHBondContact O-CG 3.2Å; L178-R182 PolarHBondContact O-N 2.67Å; L178-R182 VanDerWaalsContact O-N 3.12Å; D180-R182 VanDerWaalsContact C-N 3.29Å; D180-R182 PolarHBondContact O-N 2.99Å; R182-N186 VanDerWaalsContact O-CB 3.24Å; R182-N186 WeakPolarHBondContact O-CB 3.24Å; R182-N186 PolarHBondContact O-N 2.91Å; R182-N186 PolarHBondContact O-ND2 2.72Å; R182-L217 HydrophobicContact CG-CD1 3.98Å
183Q95Very high93.1Very high85 Ų8579.5 Ų79.540%0.39740%0.401SS..Hα-helixtrans-66.5-45174.8-77.6164.4100.500111.4R179 D180 N186 S187R179-Q183 WeakPolarHBondContact O-CG 3.49Å; R179-Q183 PolarHBondContact O-N 3.28Å; R179-Q183 VanDerWaalsContact O-N 3.11Å; R179-Q183 PolarHBondContact O-NE2 3.27Å; D180-Q183 WeakPolarHBondContact O-CB 3.42Å; D180-Q183 PolarHBondContact O-N 2.96Å; D180-Q183 PolarHBondContact OD1-NE2 3.41Å; Q183-N186 PolarHBondContact O-N 3.4Å; Q183-S187 WeakPolarHBondContact O-CB 3.45Å; Q183-S187 PolarHBondContact O-N 2.93Å; Q183-S187 PolarHBondContact O-OG 2.77Å
184W94.7Very high93.1Very high28 Ų2881.3 Ų81.311%0.10640%0.404CS..Hα-helixtrans-64-42.8177.5-60.1-24.1000112.3D180 A181 S187 G188 Q189 I190 Q191 D192 A202 L218 Y223D180-W184 HydrophobicContact CB-CZ2 4.34Å; D180-W184 VanDerWaalsContact O-CG 3.31Å; D180-W184 PolarHBondContact O-N 2.89Å; A181-W184 PolarHBondContact O-N 3.05Å; W184-S187 PolarHBondContact O-OG 3.47Å; W184-G188 WeakPolarHBondContact O-CA 3.42Å; W184-G188 PolarHBondContact O-N 2.92Å; W184-Q189 PolarHBondContact O-N 3.14Å; W184-I190 HydrophobicContact CB-CG1 4.39Å; W184-I190 HydrophobicContact CD2-CG2 4.45Å; W184-I190 HydrophobicContact CE3-CG2 4.41Å; W184-Q191 WeakPolarHBondContact CZ2-O 3.4Å; W184-D192 HydrophobicContact CH2-CB 4.23Å; W184-A202 HydrophobicContact CH2-CB 3.91Å; W184-A202 HydrophobicContact CZ3-CB 3.83Å; W184-L218 HydrophobicContact CE3-CD2 3.48Å; W184-L218 VanDerWaalsContact CE3-CD2 3.48Å; W184-L218 HydrophobicContact CZ3-CD2 3.49Å; W184-L218 VanDerWaalsContact CZ3-CD2 3.49Å; W184-Y223 AromaticContact CE3-CE2 3.84Å; W184-Y223 HydrophobicContact CE3-CE2 3.84Å; W184-Y223 AromaticContact CZ3-CE2 3.93Å; W184-Y223 HydrophobicContact CZ3-CE2 3.93Å; W184-Y223 AromaticContact CZ3-CZ 3.96Å; W184-Y223 WeakPolarHBondContact CZ3-OH 3.46Å
185L94.1Very high92.9Very high58 Ų5883.9 Ų83.930%0.30442%0.416SS..Hα-helixtrans-60.9-48.1173.8-177.862000112.2A181 S187 G188 L217 Q220 A221A181-L185 VanDerWaalsContact O-CB 3.32Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 PolarHBondContact O-N 2.92Å; L185-S187 PolarHBondContact O-N 2.87Å; L185-G188 PolarHBondContact O-N 3.16Å; L185-L217 HydrophobicContact CD2-CD2 3.66Å; L185-Q220 HydrophobicContact CD1-CB 3.97Å; L185-A221 HydrophobicContact CB-CB 4.16Å; L185-A221 HydrophobicContact CD1-CB 4.27Å
186N94.1Very high92.7Very high140 Ų14081.8 Ų81.875%0.74943%0.427SS*.Hα-helixtrans-70.3-28.3-177.7-72.9-18.2000113.9R182 Q183R182-N186 VanDerWaalsContact O-CB 3.24Å; R182-N186 WeakPolarHBondContact O-CB 3.24Å; R182-N186 PolarHBondContact O-N 2.91Å; R182-N186 PolarHBondContact O-ND2 2.72Å; Q183-N186 PolarHBondContact O-N 3.4Å
187S93.2Very high92.3Very high76 Ų7684.2 Ų84.253%0.53144%0.435SS..Hα-helixtrans-90.5-17.5178570000113.7Q183 W184 L185 Q189Q183-S187 WeakPolarHBondContact O-CB 3.45Å; Q183-S187 PolarHBondContact O-N 2.93Å; Q183-S187 PolarHBondContact O-OG 2.77Å; W184-S187 PolarHBondContact O-OG 3.47Å; L185-S187 PolarHBondContact O-N 2.87Å; S187-Q189 PolarHBondContact O-N 2.87Å; S187-Q189 PolarHBondContact OG-N 2.93Å; S187-Q189 PolarHBondContact OG-O 3.41Å
188G89Confident92Very high66 Ų6685.1 Ų85.168%0.6844%0.443SS*.THydrogen-bonded Turntrans67.912.2-171.300000114.1W184 L185W184-G188 WeakPolarHBondContact O-CA 3.42Å; W184-G188 PolarHBondContact O-N 2.92Å; L185-G188 PolarHBondContact O-N 3.16Å
189Q89.9Confident91.9Very high119 Ų11983.4 Ų83.456%0.55643%0.434SS*.  trans-130.6112.8-179.7-170.1178.118.700111.1W184 S187 Q191W184-Q189 PolarHBondContact O-N 3.14Å; S187-Q189 PolarHBondContact O-N 2.87Å; S187-Q189 PolarHBondContact OG-N 2.93Å; S187-Q189 PolarHBondContact OG-O 3.41Å; Q189-Q191 HydrophobicContact CG-CG 4.4Å; Q189-Q191 PolarHBondContact O-N 3.27Å
190I90.4Very high91.8Very high59 Ų5976.3 Ų76.330%0.30341%0.41SS..  trans-69.9125171.4-64.2158.7000109.1W184 D192 Y223W184-I190 HydrophobicContact CB-CG1 4.39Å; W184-I190 HydrophobicContact CD2-CG2 4.45Å; W184-I190 HydrophobicContact CE3-CG2 4.41Å; I190-D192 HydrophobicContact CG2-CB 3.85Å; I190-Y223 HydrophobicContact CB-CE2 4.26Å; I190-Y223 HydrophobicContact CD1-CD2 3.37Å; I190-Y223 HydrophobicContact CD1-CE2 3.75Å; I190-Y223 HydrophobicContact CD1-CG 3.95Å; I190-Y223 HydrophobicContact CG1-CD2 3.84Å; I190-Y223 HydrophobicContact CG1-CE2 3.74Å; I190-Y223 HydrophobicContact CG2-CD2 4.27Å; I190-Y223 HydrophobicContact CG2-CE1 4.4Å; I190-Y223 HydrophobicContact CG2-CE2 3.48Å; I190-Y223 VanDerWaalsContact CG2-CE2 3.48Å
191Q88.1Confident91.8Very high128 Ų12873.9 Ų73.960%0.59840%0.397SS*.  trans-118.152.4175.2-59.3-170.79.200110.5W184 Q189W184-Q191 WeakPolarHBondContact CZ2-O 3.4Å; Q189-Q191 HydrophobicContact CG-CG 4.4Å; Q189-Q191 PolarHBondContact O-N 3.27Å
192D90.2Very high91.8Very high44 Ų4474.6 Ų74.624%0.23540%0.403CS..  trans-69.6132.3-178.3-16930.2000112.2W184 I190 T201 A202 Y223W184-D192 HydrophobicContact CH2-CB 4.23Å; I190-D192 HydrophobicContact CG2-CB 3.85Å; D192-T201 WeakPolarHBondContact OD2-CA 3.5Å; D192-T201 WeakPolarHBondContact OD2-CB 3.22Å; D192-T201 VanDerWaalsContact OD2-CG2 3.22Å; D192-T201 WeakPolarHBondContact OD2-CG2 3.4Å; D192-A202 PolarHBondContact OD1-N 2.89Å; D192-Y223 VanDerWaalsContact CB-OH 3.24Å; D192-Y223 WeakPolarHBondContact CB-OH 3.45Å; D192-Y223 PolarHBondContact OD1-OH 3.07Å
193T90Very high91.8Very high130 Ų13068 Ų6880%0.79838%0.378SS*.  trans-106.398.2172.3-61.50000108.4H195T193-H195 PolarHBondContact O-N 2.82Å
194R91.6Very high91.9Very high111 Ų11164.6 Ų64.642%0.41936%0.362SS..  trans-53.7137.7179.5-68.5-173.5176-123.39.3111.8A196 G199 G200 T201 K228R194-A196 PolarHBondContact O-N 3Å; R194-G199 PolarHBondContact NH1-O 2.65Å; R194-G199 VanDerWaalsContact NH1-O 3.14Å; R194-G200 CarbonylContact C-O 3.58Å; R194-G200 VanDerWaalsContact CA-O 3.25Å; R194-G200 WeakPolarHBondContact CA-O 2.34Å; R194-T201 HydrophobicContact CG-CG2 4.12Å; R194-K228 PolarHBondContact NH1-O 3.43Å
195H89.9Confident91.9Very high102 Ų10265.5 Ų65.547%0.47237%0.371SS..  trans-61.6131.6179.4-179-129000111.4T193 K197 S198 G199 G200T193-H195 PolarHBondContact O-N 2.82Å; H195-K197 PolarHBondContact O-N 3.11Å; H195-S198 PolarHBondContact ND1-OG 2.82Å; H195-G199 WeakPolarHBondContact O-CA 3.28Å; H195-G199 PolarHBondContact O-N 3.09Å; H195-G200 PolarHBondContact N-O 3.39Å
196A90Very high92Very high88 Ų8862.8 Ų62.873%0.72736%0.356SS*.THydrogen-bonded Turntrans-69-30.2-167.500000114.7R194R194-A196 PolarHBondContact O-N 3Å
197K85.4Confident92.1Very high127 Ų12756.1 Ų56.155%0.55232%0.321SS*.THydrogen-bonded Turntrans-82.8-55.1179.6-60.5178.3-178.9175.10111.5D103 N104 H195D103-K197 PolarHBondContact O-NZ 3.29Å; N104-K197 WeakPolarHBondContact OD1-CE 3.26Å; N104-K197 PolarHBondContact OD1-NZ 2.83Å; H195-K197 PolarHBondContact O-N 3.11Å
198S90.1Very high92.2Very high43 Ų4353.2 Ų53.230%0.30130%0.302SS..THydrogen-bonded Turntrans-94.5-12.8-173.458.20000115.3H195 G200 Y230H195-S198 PolarHBondContact ND1-OG 2.82Å; S198-G200 PolarHBondContact O-N 3.19Å; S198-Y230 VanDerWaalsContact C-CD2 3.49Å; S198-Y230 VanDerWaalsContact O-CB 3.25Å; S198-Y230 WeakPolarHBondContact O-CB 3.49Å; S198-Y230 PolarHBondContact O-N 3.26Å
199G93.6Very high92.4Very high0 Ų052.5 Ų52.50%028%0.28CS..  trans70.35.3-176.600000115.3R194 H195R194-G199 PolarHBondContact NH1-O 2.65Å; R194-G199 VanDerWaalsContact NH1-O 3.14Å; H195-G199 WeakPolarHBondContact O-CA 3.28Å; H195-G199 PolarHBondContact O-N 3.09Å
200G93.4Very high92.6Very high7 Ų748 Ų487%0.07227%0.265CS..  trans-63.6162.6176.800000112.9R194 H195 S198R194-G200 CarbonylContact C-O 3.58Å; R194-G200 VanDerWaalsContact CA-O 3.25Å; R194-G200 WeakPolarHBondContact CA-O 2.34Å; H195-G200 PolarHBondContact N-O 3.39Å; S198-G200 PolarHBondContact O-N 3.19Å
201T95.1Very high92.8Very high3 Ų346.8 Ų46.82%0.01826%0.257CS..  trans-114.9166.4-17758.80000110.6D192 R194 L203 H204 V205 I227D192-T201 WeakPolarHBondContact OD2-CA 3.5Å; D192-T201 WeakPolarHBondContact OD2-CB 3.22Å; D192-T201 VanDerWaalsContact OD2-CG2 3.22Å; D192-T201 WeakPolarHBondContact OD2-CG2 3.4Å; R194-T201 HydrophobicContact CG-CG2 4.12Å; T201-L203 PolarHBondContact O-N 3.47Å; T201-L203 VanDerWaalsContact O-N 3.08Å; T201-H204 PolarHBondContact N-ND1 3.21Å; T201-H204 WeakPolarHBondContact O-CB 3.28Å; T201-H204 PolarHBondContact O-N 3.37Å; T201-H204 PolarHBondContact OG1-N 3.18Å; T201-H204 PolarHBondContact OG1-ND1 3.07Å; T201-V205 PolarHBondContact O-N 3.3Å; T201-I227 HydrophobicContact CG2-CD1 3.56Å; T201-I227 HydrophobicContact CG2-CG1 4.14Å
202A94.7Very high93.2Very high15 Ų1541.6 Ų41.612%0.12423%0.234CC..Hα-helixtrans-52.5-32.1171.300000112.8M177 W184 D192 V205 A206 L218M177-A202 HydrophobicContact CE-CB 3.96Å; M177-A202 WeakPolarHBondContact CE-O 3.44Å; W184-A202 HydrophobicContact CH2-CB 3.91Å; W184-A202 HydrophobicContact CZ3-CB 3.83Å; D192-A202 PolarHBondContact OD1-N 2.89Å; A202-V205 PolarHBondContact O-N 2.95Å; A202-A206 WeakPolarHBondContact O-CB 3.18Å; A202-A206 PolarHBondContact O-N 3.42Å; A202-L218 HydrophobicContact CB-CD1 4.12Å
203L95.9Very high93.5Very high0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-67.6-32.1175.5-165.173.8000113.3T201 A207 L215 L218 I219 Y223 I227 P235T201-L203 PolarHBondContact O-N 3.47Å; T201-L203 VanDerWaalsContact O-N 3.08Å; L203-A207 VanDerWaalsContact O-CB 3.3Å; L203-A207 WeakPolarHBondContact O-CB 3.17Å; L203-A207 PolarHBondContact O-N 3.4Å; L203-L215 HydrophobicContact CD1-CD1 3.76Å; L203-L215 HydrophobicContact CG-CD1 4.37Å; L203-L218 HydrophobicContact CB-CD1 4.26Å; L203-L218 HydrophobicContact CD1-CB 3.67Å; L203-L218 HydrophobicContact CD1-CD1 3.98Å; L203-I219 HydrophobicContact CD1-CG1 4.16Å; L203-Y223 HydrophobicContact CB-CD1 3.87Å; L203-Y223 HydrophobicContact CB-CE1 4Å; L203-Y223 HydrophobicContact CD2-CD1 4.04Å; L203-Y223 HydrophobicContact CD2-CG 4.37Å; L203-Y223 HydrophobicContact CG-CD1 4.45Å; L203-I227 HydrophobicContact CD2-CG2 4.22Å; L203-P235 HydrophobicContact CB-CG 4.33Å; L203-P235 HydrophobicContact CD2-CB 4.41Å; L203-P235 HydrophobicContact CD2-CG 3.64Å; L203-P235 HydrophobicContact CG-CB 4.25Å; L203-P235 HydrophobicContact CG-CG 3.81Å
204H95.9Very high93.8Very high13 Ų1337.6 Ų37.66%0.0621%0.205CC..Hα-helixtrans-70-43.4172.4-73.683.9000111.2T201 A207 A208 I227 W233T201-H204 PolarHBondContact N-ND1 3.21Å; T201-H204 WeakPolarHBondContact O-CB 3.28Å; T201-H204 PolarHBondContact O-N 3.37Å; T201-H204 PolarHBondContact OG1-N 3.18Å; T201-H204 PolarHBondContact OG1-ND1 3.07Å; H204-A207 PolarHBondContact O-N 3.15Å; H204-A208 VanDerWaalsContact O-CB 3.23Å; H204-A208 WeakPolarHBondContact O-CB 3.21Å; H204-A208 PolarHBondContact O-N 3.44Å; H204-I227 PolarHBondContact CE1-O 3.15Å; H204-W233 PolarHBondContact NE2-O 2.89Å
205V94.4Very high94Very high47 Ų4732.3 Ų32.329%0.28519%0.185SC..Hα-helixtrans-63.7-46.1179.3179.70000110.9M177 T201 A202 A207 A208 K209M177-V205 HydrophobicContact CE-CB 3.76Å; M177-V205 HydrophobicContact CE-CG1 3.93Å; M177-V205 HydrophobicContact SD-CB 4.25Å; M177-V205 HydrophobicContact SD-CG1 3.71Å; T201-V205 PolarHBondContact O-N 3.3Å; A202-V205 PolarHBondContact O-N 2.95Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 2.9Å; V205-A208 PolarHBondContact O-N 3.28Å; V205-K209 HydrophobicContact CG1-CG 4.2Å; V205-K209 PolarHBondContact O-N 3.25Å
206A96.1Very high94.3Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-60.4-39177.200000112.3M177 A202 G210 Y211 V214 L215 L218M177-A206 HydrophobicContact CE-CB 4.12Å; A202-A206 WeakPolarHBondContact O-CB 3.18Å; A202-A206 PolarHBondContact O-N 3.42Å; A206-G210 CarbonylContact O-C 3.52Å; A206-G210 WeakPolarHBondContact O-CA 3.26Å; A206-G210 PolarHBondContact O-N 3.22Å; A206-G210 VanDerWaalsContact O-N 3.08Å; A206-Y211 PolarHBondContact O-N 3.22Å; A206-V214 HydrophobicContact CB-CB 4.07Å; A206-V214 HydrophobicContact CB-CG1 3.74Å; A206-L215 HydrophobicContact CB-CB 4.28Å; A206-L215 HydrophobicContact CB-CD1 4.16Å; A206-L218 HydrophobicContact CB-CD1 4.26Å
207A96.8Very high94.6Very high0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-71.2-38.8175.800000112.9L203 H204 V205 L215 P235 A239 L251L203-A207 VanDerWaalsContact O-CB 3.3Å; L203-A207 WeakPolarHBondContact O-CB 3.17Å; L203-A207 PolarHBondContact O-N 3.4Å; H204-A207 PolarHBondContact O-N 3.15Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 2.9Å; A207-L215 HydrophobicContact CB-CD1 4.09Å; A207-P235 HydrophobicContact CB-CB 3.86Å; A207-P235 VanDerWaalsContact CB-O 3.3Å; A207-P235 WeakPolarHBondContact CB-O 3.36Å; A207-A239 HydrophobicContact CB-CB 4.16Å; A207-A239 WeakPolarHBondContact O-CA 3.21Å; A207-L251 HydrophobicContact CB-CD1 4.25Å
208A94.8Very high95.1Very high16 Ų1621.9 Ų21.913%0.13212%0.123CC..Hα-helixtrans-68.3-49.8179.500000112.7H204 V205 A238 K244H204-A208 VanDerWaalsContact O-CB 3.23Å; H204-A208 WeakPolarHBondContact O-CB 3.21Å; H204-A208 PolarHBondContact O-N 3.44Å; V205-A208 PolarHBondContact O-N 3.28Å; A208-A238 HydrophobicContact CB-CB 4.13Å; A208-K244 WeakPolarHBondContact O-CE 3.49Å; A208-K244 WeakPolarHBondContact O-CG 3.46Å
209K93Very high95.3Very high51 Ų5120.8 Ų20.822%0.22211%0.114CC..Hα-helixtrans-73.8-32.5179.1-59.9-56.7-171.289.10112S137 E173 V205 Y211 K244S137-K209 WeakPolarHBondContact O-CE 3.47Å; S137-K209 PolarHBondContact O-NZ 3.12Å; E173-K209 IonicContact OE2-NZ 2.79Å; E173-K209 PolarHBondContact OE2-NZ 3.48Å; V205-K209 HydrophobicContact CG1-CG 4.2Å; V205-K209 PolarHBondContact O-N 3.25Å; K209-Y211 HydrophobicContact CB-CD1 4.13Å; K209-Y211 HydrophobicContact CB-CD2 3.82Å; K209-Y211 HydrophobicContact CB-CE1 3.87Å; K209-Y211 HydrophobicContact CB-CE2 3.55Å; K209-Y211 HydrophobicContact CB-CG 4.1Å; K209-Y211 HydrophobicContact CG-CD2 4.23Å; K209-Y211 HydrophobicContact CG-CE2 3.6Å; K209-K244 WeakPolarHBondContact O-CE 3.4Å; K209-K244 PolarHBondContact O-NZ 3.22Å
210G95Very high95.3Very high24 Ų2426.9 Ų26.925%0.24714%0.142CC..THydrogen-bonded Turntrans95.127.2-173.400000113.6A206 V212A206-G210 CarbonylContact O-C 3.52Å; A206-G210 WeakPolarHBondContact O-CA 3.26Å; A206-G210 PolarHBondContact O-N 3.22Å; A206-G210 VanDerWaalsContact O-N 3.08Å; G210-V212 PolarHBondContact O-N 2.84Å
211Y95.6Very high95.3Very high33 Ų3327.4 Ų27.413%0.12915%0.146CC..  trans-72.777.2176.4-58.4-37.2000110.7E173 E174 M177 A206 K209 E213 V214 L215E173-Y211 HydrophobicContact CG-CE2 4.1Å; E173-Y211 PolarHBondContact OE2-OH 2.61Å; E173-Y211 VanDerWaalsContact OE2-OH 3.13Å; E174-Y211 HydrophobicContact CB-CD1 3.79Å; E174-Y211 HydrophobicContact CB-CD2 4.23Å; E174-Y211 HydrophobicContact CB-CE1 3.68Å; E174-Y211 HydrophobicContact CB-CE2 4.11Å; E174-Y211 HydrophobicContact CB-CG 4.09Å; E174-Y211 VanDerWaalsContact CD-CD1 3.44Å; E174-Y211 HydrophobicContact CG-CD1 3.68Å; E174-Y211 HydrophobicContact CG-CD2 4.33Å; E174-Y211 HydrophobicContact CG-CE1 4.11Å; E174-Y211 HydrophobicContact CG-CG 3.82Å; M177-Y211 HydrophobicContact SD-CD2 3.85Å; M177-Y211 HydrophobicContact SD-CE2 4.06Å; A206-Y211 PolarHBondContact O-N 3.22Å; K209-Y211 HydrophobicContact CB-CD1 4.13Å; K209-Y211 HydrophobicContact CB-CD2 3.82Å; K209-Y211 HydrophobicContact CB-CE1 3.87Å; K209-Y211 HydrophobicContact CB-CE2 3.55Å; K209-Y211 HydrophobicContact CB-CG 4.1Å; K209-Y211 HydrophobicContact CG-CD2 4.23Å; K209-Y211 HydrophobicContact CG-CE2 3.6Å; Y211-E213 VanDerWaalsContact C-N 3.34Å; Y211-E213 PolarHBondContact O-N 3.4Å; Y211-V214 WeakPolarHBondContact O-CB 3.28Å; Y211-V214 PolarHBondContact O-N 3.17Å; Y211-V214 VanDerWaalsContact O-N 3.17Å; Y211-L215 WeakPolarHBondContact O-CB 3.35Å; Y211-L215 PolarHBondContact O-N 2.9Å
212V96.1Very high95.1Very high20 Ų2030.1 Ų30.112%0.12117%0.174CC..Hα-helixtrans-56.4-42.4-171.8159.50000112.5G210 L215 K216 E246 I250G210-V212 PolarHBondContact O-N 2.84Å; V212-L215 PolarHBondContact O-N 2.79Å; V212-K216 HydrophobicContact CG1-CD 4.14Å; V212-K216 WeakPolarHBondContact O-CD 3.48Å; V212-K216 VanDerWaalsContact O-CG 3.25Å; V212-K216 WeakPolarHBondContact O-CG 3.43Å; V212-K216 PolarHBondContact O-N 3.13Å; V212-E246 HydrophobicContact CG2-CB 3.74Å; V212-I250 HydrophobicContact CB-CD1 4.3Å; V212-I250 HydrophobicContact CG1-CD1 3.61Å; V212-I250 HydrophobicContact CG2-CD1 4.14Å
213E95.9Very high95Very high89 Ų8930.3 Ų30.342%0.41617%0.171SC..Hα-helixtrans-70-38.7178.6-84.840.8-11100112.3L178 Y211 K216 L217L178-E213 HydrophobicContact CD2-CB 3.8Å; Y211-E213 VanDerWaalsContact C-N 3.34Å; Y211-E213 PolarHBondContact O-N 3.4Å; E213-K216 IonicContact OE1-NZ 2.67Å; E213-K216 PolarHBondContact OE1-NZ 3.17Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 VanDerWaalsContact O-CG 3.26Å; E213-L217 WeakPolarHBondContact O-CG 3.5Å; E213-L217 PolarHBondContact O-N 3.03Å
214V96.6Very high94.9Very high1 Ų134.6 Ų34.61%0.00620%0.195CC..Hα-helixtrans-61.4-50.5171.21790000109.6E174 M177 L178 A181 A206 Y211 K216 L217 L218E174-V214 HydrophobicContact CG-CG2 4.04Å; M177-V214 HydrophobicContact CB-CG1 3.88Å; M177-V214 HydrophobicContact CB-CG2 3.88Å; M177-V214 HydrophobicContact CE-CG1 4.08Å; L178-V214 HydrophobicContact CB-CG2 4.4Å; L178-V214 HydrophobicContact CD2-CB 4.41Å; L178-V214 HydrophobicContact CD2-CG2 3.55Å; L178-V214 HydrophobicContact CG-CG2 3.58Å; A181-V214 HydrophobicContact CB-CG1 4.47Å; A206-V214 HydrophobicContact CB-CB 4.07Å; A206-V214 HydrophobicContact CB-CG1 3.74Å; Y211-V214 WeakPolarHBondContact O-CB 3.28Å; Y211-V214 PolarHBondContact O-N 3.17Å; Y211-V214 VanDerWaalsContact O-N 3.17Å; V214-K216 PolarHBondContact O-N 3.18Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-L217 VanDerWaalsContact O-N 3.08Å; V214-L218 HydrophobicContact CG1-CD1 3.74Å; V214-L218 HydrophobicContact CG1-CG 3.98Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.29Å
215L96.6Very high94.7Very high0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-57.1-46.8-177.1-168.471.4000111.6L203 A206 A207 Y211 V212 L217 L218 I219 A247 I250 L251L203-L215 HydrophobicContact CD1-CD1 3.76Å; L203-L215 HydrophobicContact CG-CD1 4.37Å; A206-L215 HydrophobicContact CB-CB 4.28Å; A206-L215 HydrophobicContact CB-CD1 4.16Å; A207-L215 HydrophobicContact CB-CD1 4.09Å; Y211-L215 WeakPolarHBondContact O-CB 3.35Å; Y211-L215 PolarHBondContact O-N 2.9Å; V212-L215 PolarHBondContact O-N 2.79Å; L215-L217 PolarHBondContact O-N 3.28Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-I219 HydrophobicContact CG-CD1 4.24Å; L215-I219 VanDerWaalsContact O-CG1 3.28Å; L215-I219 WeakPolarHBondContact O-CG1 3.45Å; L215-I219 PolarHBondContact O-N 3.33Å; L215-I219 VanDerWaalsContact O-N 3.09Å; L215-A247 HydrophobicContact CD2-CB 3.7Å; L215-I250 HydrophobicContact CD2-CB 4.13Å; L215-I250 HydrophobicContact CD2-CG2 4.01Å; L215-I250 HydrophobicContact CG-CG2 4.28Å; L215-L251 HydrophobicContact CD1-CD2 4.32Å; L215-L251 HydrophobicContact CD2-CG 4.34Å
216K96.1Very high94.8Very high73 Ų7335.2 Ų35.232%0.31720%0.196SC..Hα-helixtrans-56.3-48.2173.4-71.9162.8-175.7165.20111.8V212 E213 V214 I219 Q220 I250V212-K216 HydrophobicContact CG1-CD 4.14Å; V212-K216 WeakPolarHBondContact O-CD 3.48Å; V212-K216 VanDerWaalsContact O-CG 3.25Å; V212-K216 WeakPolarHBondContact O-CG 3.43Å; V212-K216 PolarHBondContact O-N 3.13Å; E213-K216 IonicContact OE1-NZ 2.67Å; E213-K216 PolarHBondContact OE1-NZ 3.17Å; V214-K216 PolarHBondContact O-N 3.18Å; K216-I219 PolarHBondContact O-N 2.64Å; K216-Q220 VanDerWaalsContact O-CG 3.26Å; K216-Q220 WeakPolarHBondContact O-CG 3.26Å; K216-Q220 PolarHBondContact O-N 3.22Å; K216-I250 HydrophobicContact CD-CD1 4.49Å; K216-I250 HydrophobicContact CG-CD1 4.16Å; K216-I250 HydrophobicContact CG-CG2 4.39Å
217L95.7Very high94.7Very high24 Ų2436.4 Ų36.413%0.12620%0.203CC..Hα-helixtrans-68.3-38.5-178.1-71.1167.3000112.9L178 A181 R182 L185 E213 V214 L215 Q220 A221L178-L217 HydrophobicContact CD2-CD1 4.07Å; A181-L217 HydrophobicContact CB-CB 3.92Å; R182-L217 HydrophobicContact CG-CD1 3.98Å; L185-L217 HydrophobicContact CD2-CD2 3.66Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 VanDerWaalsContact O-CG 3.26Å; E213-L217 WeakPolarHBondContact O-CG 3.5Å; E213-L217 PolarHBondContact O-N 3.03Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-L217 VanDerWaalsContact O-N 3.08Å; L215-L217 PolarHBondContact O-N 3.28Å; L217-Q220 PolarHBondContact O-N 3.11Å; L217-A221 WeakPolarHBondContact O-CB 3.23Å; L217-A221 PolarHBondContact O-N 3.33Å
218L95.3Very high94.6Very high1 Ų139.7 Ų39.71%0.00522%0.217CC..Hα-helixtrans-65.2-41.6176.3-66.5180000111.7A181 W184 A202 L203 A206 V214 L215 A221 Y223A181-L218 HydrophobicContact CB-CD2 3.58Å; A181-L218 HydrophobicContact CB-CG 4.07Å; W184-L218 HydrophobicContact CE3-CD2 3.48Å; W184-L218 VanDerWaalsContact CE3-CD2 3.48Å; W184-L218 HydrophobicContact CZ3-CD2 3.49Å; W184-L218 VanDerWaalsContact CZ3-CD2 3.49Å; A202-L218 HydrophobicContact CB-CD1 4.12Å; L203-L218 HydrophobicContact CB-CD1 4.26Å; L203-L218 HydrophobicContact CD1-CB 3.67Å; L203-L218 HydrophobicContact CD1-CD1 3.98Å; A206-L218 HydrophobicContact CB-CD1 4.26Å; V214-L218 HydrophobicContact CG1-CD1 3.74Å; V214-L218 HydrophobicContact CG1-CG 3.98Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.29Å; L215-L218 PolarHBondContact O-N 3.39Å; L218-A221 PolarHBondContact O-N 3.45Å; L218-Y223 HydrophobicContact CB-CD2 3.96Å; L218-Y223 HydrophobicContact CB-CE2 4.26Å; L218-Y223 HydrophobicContact CB-CG 4.5Å; L218-Y223 HydrophobicContact CD2-CD2 4.2Å; L218-Y223 HydrophobicContact CD2-CE2 3.66Å; L218-Y223 HydrophobicContact CG-CE2 4.42Å; L218-Y223 WeakPolarHBondContact O-CB 3.4Å; L218-Y223 WeakPolarHBondContact O-CD2 3.49Å; L218-Y223 PolarHBondContact O-N 3.16Å
219I94.6Very high94.7Very high20 Ų2040.1 Ų40.110%0.10322%0.217CC..Hα-helixtrans-65.1-43175.2-65.5167.6000110.5L203 L215 K216 A221 G222 I225 I250 L251 N254L203-I219 HydrophobicContact CD1-CG1 4.16Å; L215-I219 HydrophobicContact CG-CD1 4.24Å; L215-I219 VanDerWaalsContact O-CG1 3.28Å; L215-I219 WeakPolarHBondContact O-CG1 3.45Å; L215-I219 PolarHBondContact O-N 3.33Å; L215-I219 VanDerWaalsContact O-N 3.09Å; K216-I219 PolarHBondContact O-N 2.64Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 2.9Å; I219-G222 PolarHBondContact O-N 3.13Å; I219-I225 HydrophobicContact CG1-CG1 4.35Å; I219-I225 HydrophobicContact CG2-CD1 4.17Å; I219-I250 HydrophobicContact CD1-CG2 3.81Å; I219-L251 HydrophobicContact CD1-CD2 4.32Å; I219-N254 HydrophobicContact CG2-CB 4.09Å
220Q94Very high94.8Very high128 Ų12843.5 Ų43.560%0.59823%0.229SC*.Hα-helixtrans-61.6-31.7174.1-73171.613.400113.1L185 K216 L217 G222L185-Q220 HydrophobicContact CD1-CB 3.97Å; K216-Q220 VanDerWaalsContact O-CG 3.26Å; K216-Q220 WeakPolarHBondContact O-CG 3.26Å; K216-Q220 PolarHBondContact O-N 3.22Å; L217-Q220 PolarHBondContact O-N 3.11Å; Q220-G222 PolarHBondContact O-N 2.87Å
221A93.2Very high94.7Very high18 Ų1846.4 Ų46.415%0.14924%0.239CC..THydrogen-bonded Turntrans-73.9-0.1174.500000113.9L185 L217 L218 I219L185-A221 HydrophobicContact CB-CB 4.16Å; L185-A221 HydrophobicContact CD1-CB 4.27Å; L217-A221 WeakPolarHBondContact O-CB 3.23Å; L217-A221 PolarHBondContact O-N 3.33Å; L218-A221 PolarHBondContact O-N 3.45Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 2.9Å
222G90.3Very high94.8Very high59 Ų5945.1 Ų45.161%0.60824%0.236SC*.THydrogen-bonded Turntrans86.226.3174.500000115.1I219 Q220I219-G222 PolarHBondContact O-N 3.13Å; Q220-G222 PolarHBondContact O-N 2.87Å
223Y93.8Very high94.8Very high19 Ų1946.7 Ų46.78%0.07524%0.24CC..  trans-59.3147.2171.2-101.8-99.3000112.6W184 I190 D192 L203 L218 I225W184-Y223 AromaticContact CE3-CE2 3.84Å; W184-Y223 HydrophobicContact CE3-CE2 3.84Å; W184-Y223 AromaticContact CZ3-CE2 3.93Å; W184-Y223 HydrophobicContact CZ3-CE2 3.93Å; W184-Y223 AromaticContact CZ3-CZ 3.96Å; W184-Y223 WeakPolarHBondContact CZ3-OH 3.46Å; I190-Y223 HydrophobicContact CB-CE2 4.26Å; I190-Y223 HydrophobicContact CD1-CD2 3.37Å; I190-Y223 HydrophobicContact CD1-CE2 3.75Å; I190-Y223 HydrophobicContact CD1-CG 3.95Å; I190-Y223 HydrophobicContact CG1-CD2 3.84Å; I190-Y223 HydrophobicContact CG1-CE2 3.74Å; I190-Y223 HydrophobicContact CG2-CD2 4.27Å; I190-Y223 HydrophobicContact CG2-CE1 4.4Å; I190-Y223 HydrophobicContact CG2-CE2 3.48Å; I190-Y223 VanDerWaalsContact CG2-CE2 3.48Å; D192-Y223 VanDerWaalsContact CB-OH 3.24Å; D192-Y223 WeakPolarHBondContact CB-OH 3.45Å; D192-Y223 PolarHBondContact OD1-OH 3.07Å; L203-Y223 HydrophobicContact CB-CD1 3.87Å; L203-Y223 HydrophobicContact CB-CE1 4Å; L203-Y223 HydrophobicContact CD2-CD1 4.04Å; L203-Y223 HydrophobicContact CD2-CG 4.37Å; L203-Y223 HydrophobicContact CG-CD1 4.45Å; L218-Y223 HydrophobicContact CB-CD2 3.96Å; L218-Y223 HydrophobicContact CB-CE2 4.26Å; L218-Y223 HydrophobicContact CB-CG 4.5Å; L218-Y223 HydrophobicContact CD2-CD2 4.2Å; L218-Y223 HydrophobicContact CD2-CE2 3.66Å; L218-Y223 HydrophobicContact CG-CE2 4.42Å; L218-Y223 WeakPolarHBondContact O-CB 3.4Å; L218-Y223 WeakPolarHBondContact O-CD2 3.49Å; L218-Y223 PolarHBondContact O-N 3.16Å; Y223-I225 PolarHBondContact O-N 3.07Å
224D92.3Very high94.8Very high91 Ų9142.6 Ų42.649%0.48722%0.22SC..  trans-71.9112.1162.7178.616.9000110N226 I227D224-N226 PolarHBondContact O-N 3.42Å; D224-N226 WeakPolarHBondContact OD1-CA 3.48Å; D224-N226 WeakPolarHBondContact OD1-CB 3.36Å; D224-N226 PolarHBondContact OD1-N 3.16Å; D224-I227 HydrophobicContact CB-CB 4.28Å; D224-I227 VanDerWaalsContact O-CB 3.27Å; D224-I227 WeakPolarHBondContact O-CB 3.4Å; D224-I227 WeakPolarHBondContact O-CG2 3.38Å; D224-I227 PolarHBondContact O-N 2.95Å; D224-I227 PolarHBondContact OD2-N 3.44Å
225I93.3Very high94.9Very high23 Ų2342.5 Ų42.512%0.11822%0.22CC..THydrogen-bonded Turntrans-65.2-23.8178.3-55.3168000111.5I219 Y223 L251 N254 C256I219-I225 HydrophobicContact CG1-CG1 4.35Å; I219-I225 HydrophobicContact CG2-CD1 4.17Å; Y223-I225 PolarHBondContact O-N 3.07Å; I225-L251 HydrophobicContact CG2-CD2 3.68Å; I225-N254 HydrophobicContact CD1-CB 3.63Å; I225-N254 VanDerWaalsContact CD1-O 3.24Å; I225-N254 WeakPolarHBondContact CD1-O 3.43Å; I225-C256 HydrophobicContact CG2-CB 3.54Å
226N94.9Very high94.9Very high49 Ų4942.7 Ų42.726%0.26222%0.221SC..THydrogen-bonded Turntrans-99.79.6-176.7-58.4-72.7000113D224 N257 L260D224-N226 PolarHBondContact O-N 3.42Å; D224-N226 WeakPolarHBondContact OD1-CA 3.48Å; D224-N226 WeakPolarHBondContact OD1-CB 3.36Å; D224-N226 PolarHBondContact OD1-N 3.16Å; N226-N257 WeakPolarHBondContact OD1-CB 3.16Å; N226-N257 PolarHBondContact OD1-N 2.96Å; N226-L260 HydrophobicContact CB-CD1 3.74Å
227I94.7Very high94.9Very high26 Ų2639.2 Ų39.213%0.13321%0.206CC..  trans-54.8144178.2-168.7158.9000111.2T201 L203 H204 D224 P235T201-I227 HydrophobicContact CG2-CD1 3.56Å; T201-I227 HydrophobicContact CG2-CG1 4.14Å; L203-I227 HydrophobicContact CD2-CG2 4.22Å; H204-I227 PolarHBondContact CE1-O 3.15Å; D224-I227 HydrophobicContact CB-CB 4.28Å; D224-I227 VanDerWaalsContact O-CB 3.27Å; D224-I227 WeakPolarHBondContact O-CB 3.4Å; D224-I227 WeakPolarHBondContact O-CG2 3.38Å; D224-I227 PolarHBondContact O-N 2.95Å; D224-I227 PolarHBondContact OD2-N 3.44Å; I227-P235 HydrophobicContact CG2-CG 4.11Å; I227-P235 WeakPolarHBondContact O-CD 3.14Å
228K95.4Very high94.9Very high68 Ų6838.6 Ų38.630%0.29620%0.204SC..  trans-117.7145.5-179.8-66.8-172.3167.6-169.30113.7R194 G232 W233 T234 V261R194-K228 PolarHBondContact NH1-O 3.43Å; K228-G232 VanDerWaalsContact CD-O 3.23Å; K228-G232 WeakPolarHBondContact CD-O 3.42Å; K228-G232 VanDerWaalsContact CE-O 3.26Å; K228-G232 WeakPolarHBondContact CE-O 3.33Å; K228-W233 VanDerWaalsContact CA-O 3.24Å; K228-W233 WeakPolarHBondContact CA-O 3.21Å; K228-W233 WeakPolarHBondContact CG-O 3.42Å; K228-T234 HydrophobicContact CD-CG2 4.45Å; K228-T234 HydrophobicContact CG-CG2 3.93Å; K228-V261 PolarHBondContact NZ-O 3.23Å
229D95.9Very high95Very high26 Ų2638.5 Ų38.514%0.13920%0.204CC..  trans-87.1-162.5173.975-7.1000112D231 G232 W233D229-D231 PolarHBondContact OD1-N 2.87Å; D229-G232 PolarHBondContact OD1-N 2.98Å; D229-W233 PolarHBondContact N-O 3.38Å; D229-W233 PolarHBondContact OD1-N 3.02Å
230Y95.1Very high95.1Very high121 Ų12137.6 Ų37.648%0.47520%0.199SC..SBendtrans-80.8-13.9177.7-62.9-19.2000114.7S198 K263S198-Y230 VanDerWaalsContact C-CD2 3.49Å; S198-Y230 VanDerWaalsContact O-CB 3.25Å; S198-Y230 WeakPolarHBondContact O-CB 3.49Å; S198-Y230 PolarHBondContact O-N 3.26Å; Y230-K263 WeakPolarHBondContact O-CD 3.17Å; Y230-K263 WeakPolarHBondContact O-CE 3.36Å; Y230-K263 PolarHBondContact O-NZ 2.88Å
231D94.4Very high95.2Very high86 Ų8634.4 Ų34.446%0.4618%0.184SC..SBendtrans-98.5-0.3171.6-70.3-61.9000112.7D229 W233 K263D229-D231 PolarHBondContact OD1-N 2.87Å; D231-W233 VanDerWaalsContact C-N 3.29Å; D231-K263 VanDerWaalsContact O-CB 3.25Å; D231-K263 WeakPolarHBondContact O-CB 3.31Å; D231-K263 WeakPolarHBondContact O-CG 3.47Å; D231-K263 PolarHBondContact O-N 2.9Å
232G95.7Very high95.2Very high6 Ų639.2 Ų39.26%0.06220%0.198CC..  trans80.98.8178.300000113.7K228 D229 N262K228-G232 VanDerWaalsContact CD-O 3.23Å; K228-G232 WeakPolarHBondContact CD-O 3.42Å; K228-G232 VanDerWaalsContact CE-O 3.26Å; K228-G232 WeakPolarHBondContact CE-O 3.33Å; D229-G232 PolarHBondContact OD1-N 2.98Å; G232-N262 WeakPolarHBondContact O-CA 3.49Å
233W97Very high95.5Very high53 Ų5337.7 Ų37.720%0.20118%0.183CC..  trans-63.4155.6173.4-72.351.2000109.5H204 K228 D229 D231 H237 H241 V271H204-W233 PolarHBondContact NE2-O 2.89Å; K228-W233 VanDerWaalsContact CA-O 3.24Å; K228-W233 WeakPolarHBondContact CA-O 3.21Å; K228-W233 WeakPolarHBondContact CG-O 3.42Å; D229-W233 PolarHBondContact N-O 3.38Å; D229-W233 PolarHBondContact OD1-N 3.02Å; D231-W233 VanDerWaalsContact C-N 3.29Å; W233-H237 HydrophobicContact CB-CB 4.03Å; W233-H237 HydrophobicContact CD2-CB 3.84Å; W233-H237 HydrophobicContact CE3-CB 3.47Å; W233-H237 VanDerWaalsContact CE3-CB 3.47Å; W233-H237 HydrophobicContact CG-CB 4.11Å; W233-H237 HydrophobicContact CZ3-CB 4.18Å; W233-H241 HydrophobicContact CH2-CB 3.91Å; W233-H241 AromaticContact CH2-CD2 3.89Å; W233-H241 AromaticContact CH2-CE1 3.78Å; W233-H241 AromaticContact CH2-CG 3.57Å; W233-H241 AromaticContact CH2-ND1 3.51Å; W233-H241 AromaticContact CH2-NE2 3.99Å; W233-H241 HydrophobicContact CZ3-CB 3.67Å; W233-H241 AromaticContact CZ3-CG 3.81Å; W233-H241 AromaticContact CZ3-ND1 3.81Å; W233-V271 HydrophobicContact CH2-CG2 3.53Å; W233-V271 HydrophobicContact CZ2-CG2 3.74Å; W233-V271 HydrophobicContact CZ3-CG2 4.31Å
234T97Very high95.5Very high2 Ų240.1 Ų40.11%0.01219%0.194CC..  trans-111.3167.2166.565.30000108.8K228 L236 H237 A238 L260K228-T234 HydrophobicContact CD-CG2 4.45Å; K228-T234 HydrophobicContact CG-CG2 3.93Å; T234-L236 PolarHBondContact O-N 2.89Å; T234-L236 PolarHBondContact OG1-N 3.05Å; T234-H237 PolarHBondContact N-ND1 3.23Å; T234-H237 WeakPolarHBondContact O-CB 3.4Å; T234-H237 PolarHBondContact O-N 3.49Å; T234-H237 PolarHBondContact OG1-ND1 3.08Å; T234-A238 PolarHBondContact O-N 3.05Å; T234-L260 HydrophobicContact CG2-CB 4.25Å; T234-L260 HydrophobicContact CG2-CD1 3.88Å
235P97Very high95.7Very high0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-49.6-32.7169.9-28.334000113.5L203 A207 I227 A238 A239 L251L203-P235 HydrophobicContact CB-CG 4.33Å; L203-P235 HydrophobicContact CD2-CB 4.41Å; L203-P235 HydrophobicContact CD2-CG 3.64Å; L203-P235 HydrophobicContact CG-CB 4.25Å; L203-P235 HydrophobicContact CG-CG 3.81Å; A207-P235 HydrophobicContact CB-CB 3.86Å; A207-P235 VanDerWaalsContact CB-O 3.3Å; A207-P235 WeakPolarHBondContact CB-O 3.36Å; I227-P235 HydrophobicContact CG2-CG 4.11Å; I227-P235 WeakPolarHBondContact O-CD 3.14Å; P235-A238 PolarHBondContact O-N 2.8Å; P235-A239 PolarHBondContact O-N 3.49Å; P235-L251 HydrophobicContact CB-CD1 4.05Å; P235-L251 HydrophobicContact CB-CD2 3.99Å
236L96.8Very high95.8Very high3 Ų342.6 Ų42.62%0.01620%0.202CC..Hα-helixtrans-68.5-36.2175.9-170.372.7000113T234 A238 A240 C248 L251 V252 M258 A268 L280T234-L236 PolarHBondContact O-N 2.89Å; T234-L236 PolarHBondContact OG1-N 3.05Å; L236-A238 VanDerWaalsContact C-N 3.31Å; L236-A240 WeakPolarHBondContact O-CB 3.37Å; L236-A240 PolarHBondContact O-N 3.38Å; L236-C248 HydrophobicContact CD1-CB 4.37Å; L236-L251 HydrophobicContact CB-CD1 4.29Å; L236-L251 HydrophobicContact CD1-CB 4.08Å; L236-L251 HydrophobicContact CD1-CD1 4.19Å; L236-V252 HydrophobicContact CD1-CG2 4.1Å; L236-M258 HydrophobicContact CD2-CB 4.07Å; L236-M258 HydrophobicContact CD2-CE 4.33Å; L236-M258 HydrophobicContact CD2-CG 3.85Å; L236-A268 HydrophobicContact CB-CB 4.38Å; L236-A268 HydrophobicContact CD2-CB 3.68Å; L236-A268 HydrophobicContact CG-CB 3.81Å; L236-L280 HydrophobicContact CD1-CD1 4.2Å
237H97Very high95.9Very high1 Ų140.3 Ų40.31%0.00519%0.19CC..Hα-helixtrans-64.3-41.9173.8-65.966.7000110.1W233 T234 A240 H241 L260 Q266 V271W233-H237 HydrophobicContact CB-CB 4.03Å; W233-H237 HydrophobicContact CD2-CB 3.84Å; W233-H237 HydrophobicContact CE3-CB 3.47Å; W233-H237 VanDerWaalsContact CE3-CB 3.47Å; W233-H237 HydrophobicContact CG-CB 4.11Å; W233-H237 HydrophobicContact CZ3-CB 4.18Å; T234-H237 PolarHBondContact N-ND1 3.23Å; T234-H237 WeakPolarHBondContact O-CB 3.4Å; T234-H237 PolarHBondContact O-N 3.49Å; T234-H237 PolarHBondContact OG1-ND1 3.08Å; H237-A240 PolarHBondContact O-N 2.86Å; H237-H241 WeakPolarHBondContact O-CB 3.44Å; H237-H241 PolarHBondContact O-N 3.02Å; H237-L260 PolarHBondContact CE1-O 3Å; H237-L260 PolarHBondContact NE2-O 2.9Å; H237-Q266 PolarHBondContact NE2-O 3.22Å; H237-V271 HydrophobicContact CB-CG1 4.05Å
238A96.2Very high96Very high10 Ų1039 Ų398%0.08318%0.183CC..Hα-helixtrans-65.1-46.3179.400000112.5A208 T234 P235 L236 W242A208-A238 HydrophobicContact CB-CB 4.13Å; T234-A238 PolarHBondContact O-N 3.05Å; P235-A238 PolarHBondContact O-N 2.8Å; L236-A238 VanDerWaalsContact C-N 3.31Å; A238-W242 PolarHBondContact O-N 2.94Å
239A96.9Very high95.9Very high0 Ų039.3 Ų39.30%018%0.183CC..Hα-helixtrans-64.6-40.2175.700000112.8A207 P235 G243 K244 A247 C248 L251A207-A239 HydrophobicContact CB-CB 4.16Å; A207-A239 WeakPolarHBondContact O-CA 3.21Å; P235-A239 PolarHBondContact O-N 3.49Å; A239-G243 PolarHBondContact O-N 3.33Å; A239-K244 HydrophobicContact CB-CB 4.37Å; A239-K244 PolarHBondContact O-N 3.21Å; A239-A247 HydrophobicContact CB-CB 3.79Å; A239-C248 VanDerWaalsContact C-SG 3.59Å; A239-C248 VanDerWaalsContact CB-SG 3.56Å; A239-L251 HydrophobicContact CB-CD1 4.16Å
240A96.4Very high95.9Very high0 Ų038.3 Ų38.30%018%0.177CC..Hα-helixtrans-69.6-41-179.800000112.4L236 H237 G243 C248 A268 A272 D273 L280L236-A240 WeakPolarHBondContact O-CB 3.37Å; L236-A240 PolarHBondContact O-N 3.38Å; H237-A240 PolarHBondContact O-N 2.86Å; A240-G243 PolarHBondContact O-N 3.45Å; A240-C248 PolarHBondContact N-SG 3.08Å; A240-A268 WeakPolarHBondContact CB-O 3.13Å; A240-A272 HydrophobicContact CB-CB 4Å; A240-A272 WeakPolarHBondContact O-CA 3.36Å; A240-D273 PolarHBondContact O-N 3.13Å; A240-L280 HydrophobicContact CB-CD2 4.23Å
241H95.8Very high96Very high62 Ų6232.5 Ų32.529%0.28716%0.155SC..Hα-helixtrans-66.9-38.5-179.8-175.1-121.5000112.9W233 H237 V271W233-H241 HydrophobicContact CH2-CB 3.91Å; W233-H241 AromaticContact CH2-CD2 3.89Å; W233-H241 AromaticContact CH2-CE1 3.78Å; W233-H241 AromaticContact CH2-CG 3.57Å; W233-H241 AromaticContact CH2-ND1 3.51Å; W233-H241 AromaticContact CH2-NE2 3.99Å; W233-H241 HydrophobicContact CZ3-CB 3.67Å; W233-H241 AromaticContact CZ3-CG 3.81Å; W233-H241 AromaticContact CZ3-ND1 3.81Å; H237-H241 WeakPolarHBondContact O-CB 3.44Å; H237-H241 PolarHBondContact O-N 3.02Å; H241-V271 WeakPolarHBondContact CA-O 3.37Å; H241-V271 HydrophobicContact CB-CG2 4.4Å; H241-V271 WeakPolarHBondContact CB-O 3.37Å; H241-V271 PolarHBondContact CD2-O 3.12Å; H241-V271 VanDerWaalsContact CD2-O 3.28Å
242W93.9Very high95.9Very high118 Ų11828.6 Ų28.645%0.44713%0.134SC..THydrogen-bonded Turntrans-95.321.5177-60.9161.7000114A238 K244A238-W242 PolarHBondContact O-N 2.94Å; W242-K244 VanDerWaalsContact C-N 3.26Å; W242-K244 HydrophobicContact CB-CG 4.25Å; W242-K244 VanDerWaalsContact O-CD 3.27Å; W242-K244 WeakPolarHBondContact O-CD 3.09Å; W242-K244 WeakPolarHBondContact O-CE 3.36Å; W242-K244 WeakPolarHBondContact O-CG 3.47Å; W242-K244 PolarHBondContact O-N 2.81Å; W242-K244 VanDerWaalsContact O-N 3.15Å
243G95.2Very high95.8Very high28 Ų2832.8 Ų32.829%0.28915%0.152SC..THydrogen-bonded Turntrans63.422.2170.800000115.8A239 A240 E245A239-G243 PolarHBondContact O-N 3.33Å; A240-G243 PolarHBondContact O-N 3.45Å; G243-E245 PolarHBondContact O-N 2.98Å
244K95.6Very high95.6Very high70 Ų7033.8 Ų33.830%0.30416%0.161SC..  trans-85.474.9-173.4-51.7-56.3176.7172.10111.3A208 K209 A239 W242 E246 A247 C248A208-K244 WeakPolarHBondContact O-CE 3.49Å; A208-K244 WeakPolarHBondContact O-CG 3.46Å; K209-K244 WeakPolarHBondContact O-CE 3.4Å; K209-K244 PolarHBondContact O-NZ 3.22Å; A239-K244 HydrophobicContact CB-CB 4.37Å; A239-K244 PolarHBondContact O-N 3.21Å; W242-K244 VanDerWaalsContact C-N 3.26Å; W242-K244 HydrophobicContact CB-CG 4.25Å; W242-K244 VanDerWaalsContact O-CD 3.27Å; W242-K244 WeakPolarHBondContact O-CD 3.09Å; W242-K244 WeakPolarHBondContact O-CE 3.36Å; W242-K244 WeakPolarHBondContact O-CG 3.47Å; W242-K244 PolarHBondContact O-N 2.81Å; W242-K244 VanDerWaalsContact O-N 3.15Å; K244-E246 PolarHBondContact O-N 3.32Å; K244-A247 HydrophobicContact CB-CB 3.89Å; K244-A247 WeakPolarHBondContact O-CB 3.39Å; K244-A247 PolarHBondContact O-N 2.63Å; K244-C248 PolarHBondContact O-N 3.08Å
245E95.4Very high95.3Very high90 Ų9037 Ų3742%0.42118%0.177SC..Hα-helixtrans-44.9-53-177.4-69.3-171.4167.300114.1G243 A247 C248 R249 V276 Y279G243-E245 PolarHBondContact O-N 2.98Å; E245-A247 VanDerWaalsContact C-N 3.31Å; E245-A247 PolarHBondContact O-N 2.85Å; E245-C248 CarbonylContact O-C 3.59Å; E245-C248 WeakPolarHBondContact O-CB 3.25Å; E245-C248 PolarHBondContact O-N 3.03Å; E245-C248 VanDerWaalsContact O-N 3.16Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-V276 HydrophobicContact CG-CG1 4.39Å; E245-V276 HydrophobicContact CG-CG2 3.62Å; E245-Y279 HydrophobicContact CB-CD1 4.16Å; E245-Y279 HydrophobicContact CB-CE1 3.93Å; E245-Y279 HydrophobicContact CG-CD1 4.15Å; E245-Y279 HydrophobicContact CG-CE1 4.4Å
246E95.5Very high95.1Very high75 Ų7537.1 Ų37.135%0.3518%0.178SC..Hα-helixtrans-64.7-34.2-178.4-79.4-69.8104.800112.7V212 K244 R249 I250V212-E246 HydrophobicContact CG2-CB 3.74Å; K244-E246 PolarHBondContact O-N 3.32Å; E246-R249 PolarHBondContact O-N 3.25Å; E246-R249 IonicContact OE1-CZ 2.64Å; E246-R249 IonicContact OE1-NE 2.77Å; E246-R249 PolarHBondContact OE1-NE 3.24Å; E246-R249 IonicContact OE1-NH2 3.84Å; E246-R249 PolarHBondContact OE1-NH2 3.2Å; E246-R249 IonicContact OE2-CZ 3.21Å; E246-R249 IonicContact OE2-NE 3.08Å; E246-R249 IonicContact OE2-NH2 3.58Å; E246-R249 PolarHBondContact OE2-NH2 2.67Å; E246-I250 WeakPolarHBondContact O-CB 3.44Å; E246-I250 VanDerWaalsContact O-CD1 3.28Å; E246-I250 WeakPolarHBondContact O-CD1 3.39Å; E246-I250 VanDerWaalsContact O-CG1 3.23Å; E246-I250 WeakPolarHBondContact O-CG1 3.36Å; E246-I250 PolarHBondContact O-N 2.68Å
247A96.8Very high94.9Very high1 Ų140.3 Ų40.31%0.00820%0.195CC..Hα-helixtrans-67.8-43.3173.400000111L215 A239 K244 E245 R249 I250 L251L215-A247 HydrophobicContact CD2-CB 3.7Å; A239-A247 HydrophobicContact CB-CB 3.79Å; K244-A247 HydrophobicContact CB-CB 3.89Å; K244-A247 WeakPolarHBondContact O-CB 3.39Å; K244-A247 PolarHBondContact O-N 2.63Å; E245-A247 VanDerWaalsContact C-N 3.31Å; E245-A247 PolarHBondContact O-N 2.85Å; A247-R249 PolarHBondContact O-N 3.4Å; A247-I250 PolarHBondContact O-N 3.46Å; A247-L251 WeakPolarHBondContact O-CB 3.5Å; A247-L251 WeakPolarHBondContact O-CD1 3.23Å; A247-L251 WeakPolarHBondContact O-CG 3.16Å; A247-L251 PolarHBondContact O-N 2.92Å
248C96Very high94.6Very high0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-57-46.2171-75.90000111.8L236 A239 A240 K244 E245 L251 V252 L280 L283L236-C248 HydrophobicContact CD1-CB 4.37Å; A239-C248 VanDerWaalsContact C-SG 3.59Å; A239-C248 VanDerWaalsContact CB-SG 3.56Å; A240-C248 PolarHBondContact N-SG 3.08Å; K244-C248 PolarHBondContact O-N 3.08Å; E245-C248 CarbonylContact O-C 3.59Å; E245-C248 WeakPolarHBondContact O-CB 3.25Å; E245-C248 PolarHBondContact O-N 3.03Å; E245-C248 VanDerWaalsContact O-N 3.16Å; C248-L251 PolarHBondContact O-N 3.01Å; C248-V252 WeakPolarHBondContact O-CB 3.4Å; C248-V252 VanDerWaalsContact O-CG2 3.27Å; C248-V252 WeakPolarHBondContact O-CG2 3.34Å; C248-V252 PolarHBondContact O-N 2.87Å; C248-L280 HydrophobicContact CB-CD1 4.29Å; C248-L283 HydrophobicContact CB-CD1 4.1Å
249R95.1Very high94.4Very high73 Ų7347.4 Ų47.428%0.27523%0.227SC..Hα-helixtrans-57.3-52.3177.6-179.1171.470.892.5-9.1111.5E245 E246 A247 L251 V252 E253 Y279 L283E245-R249 PolarHBondContact O-N 3.07Å; E246-R249 PolarHBondContact O-N 3.25Å; E246-R249 IonicContact OE1-CZ 2.64Å; E246-R249 IonicContact OE1-NE 2.77Å; E246-R249 PolarHBondContact OE1-NE 3.24Å; E246-R249 IonicContact OE1-NH2 3.84Å; E246-R249 PolarHBondContact OE1-NH2 3.2Å; E246-R249 IonicContact OE2-CZ 3.21Å; E246-R249 IonicContact OE2-NE 3.08Å; E246-R249 IonicContact OE2-NH2 3.58Å; E246-R249 PolarHBondContact OE2-NH2 2.67Å; A247-R249 PolarHBondContact O-N 3.4Å; R249-L251 VanDerWaalsContact C-N 3.34Å; R249-L251 PolarHBondContact O-N 3.29Å; R249-V252 PolarHBondContact O-N 3.03Å; R249-E253 WeakPolarHBondContact CD-OE1 3.42Å; R249-E253 HydrophobicContact CG-CG 4.24Å; R249-E253 WeakPolarHBondContact CG-OE1 3.28Å; R249-E253 IonicContact CZ-OE1 2.68Å; R249-E253 IonicContact NE-OE1 3.57Å; R249-E253 IonicContact NH1-OE1 3.76Å; R249-E253 PolarHBondContact NH1-OE1 3.35Å; R249-E253 IonicContact NH1-OE2 2.65Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.49Å; R249-E253 PolarHBondContact O-N 2.97Å; R249-Y279 HydrophobicContact CB-CE1 4.43Å; R249-Y279 WeakPolarHBondContact CD-OH 3.47Å; R249-L283 HydrophobicContact CB-CD1 4.26Å; R249-L283 HydrophobicContact CB-CD2 4.2Å; R249-L283 HydrophobicContact CG-CD2 4.07Å
250I95.9Very high94.3Very high5 Ų549.4 Ų49.43%0.02624%0.237CC..Hα-helixtrans-62.1-40.4-177.9-69.6160000111.6V212 L215 K216 I219 E246 A247 N254V212-I250 HydrophobicContact CB-CD1 4.3Å; V212-I250 HydrophobicContact CG1-CD1 3.61Å; V212-I250 HydrophobicContact CG2-CD1 4.14Å; L215-I250 HydrophobicContact CD2-CB 4.13Å; L215-I250 HydrophobicContact CD2-CG2 4.01Å; L215-I250 HydrophobicContact CG-CG2 4.28Å; K216-I250 HydrophobicContact CD-CD1 4.49Å; K216-I250 HydrophobicContact CG-CD1 4.16Å; K216-I250 HydrophobicContact CG-CG2 4.39Å; I219-I250 HydrophobicContact CD1-CG2 3.81Å; E246-I250 WeakPolarHBondContact O-CB 3.44Å; E246-I250 VanDerWaalsContact O-CD1 3.28Å; E246-I250 WeakPolarHBondContact O-CD1 3.39Å; E246-I250 VanDerWaalsContact O-CG1 3.23Å; E246-I250 WeakPolarHBondContact O-CG1 3.36Å; E246-I250 PolarHBondContact O-N 2.68Å; A247-I250 PolarHBondContact O-N 3.46Å; I250-N254 PolarHBondContact O-N 2.94Å; I250-N254 PolarHBondContact O-ND2 3.12Å
251L95.5Very high94.3Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-64.4-43.4176-69.2166.5000111.5A207 L215 I219 I225 P235 L236 A239 A247 C248 R249 N254 L255 C256A207-L251 HydrophobicContact CB-CD1 4.25Å; L215-L251 HydrophobicContact CD1-CD2 4.32Å; L215-L251 HydrophobicContact CD2-CG 4.34Å; I219-L251 HydrophobicContact CD1-CD2 4.32Å; I225-L251 HydrophobicContact CG2-CD2 3.68Å; P235-L251 HydrophobicContact CB-CD1 4.05Å; P235-L251 HydrophobicContact CB-CD2 3.99Å; L236-L251 HydrophobicContact CB-CD1 4.29Å; L236-L251 HydrophobicContact CD1-CB 4.08Å; L236-L251 HydrophobicContact CD1-CD1 4.19Å; A239-L251 HydrophobicContact CB-CD1 4.16Å; A247-L251 WeakPolarHBondContact O-CB 3.5Å; A247-L251 WeakPolarHBondContact O-CD1 3.23Å; A247-L251 WeakPolarHBondContact O-CG 3.16Å; A247-L251 PolarHBondContact O-N 2.92Å; C248-L251 PolarHBondContact O-N 3.01Å; R249-L251 VanDerWaalsContact C-N 3.34Å; R249-L251 PolarHBondContact O-N 3.29Å; L251-N254 CarbonylContact O-C 3.48Å; L251-N254 PolarHBondContact O-N 3.26Å; L251-L255 PolarHBondContact O-N 3.03Å; L251-C256 HydrophobicContact CB-CB 4.21Å; L251-C256 VanDerWaalsContact O-CB 3.28Å; L251-C256 WeakPolarHBondContact O-CB 3.09Å; L251-C256 PolarHBondContact O-N 2.78Å; L251-C256 PolarHBondContact O-SG 3.27Å; L251-C256 VanDerWaalsContact O-SG 3.32Å
252V94Very high94.3Very high4 Ų449.9 Ų49.92%0.02424%0.244CC..Hα-helixtrans-70.5-40.8-179.2174.90000112.3L236 C248 R249 N254 L255 C256 M258 L283 Q287L236-V252 HydrophobicContact CD1-CG2 4.1Å; C248-V252 WeakPolarHBondContact O-CB 3.4Å; C248-V252 VanDerWaalsContact O-CG2 3.27Å; C248-V252 WeakPolarHBondContact O-CG2 3.34Å; C248-V252 PolarHBondContact O-N 2.87Å; R249-V252 PolarHBondContact O-N 3.03Å; V252-N254 VanDerWaalsContact C-N 3.26Å; V252-N254 PolarHBondContact O-N 2.89Å; V252-L255 WeakPolarHBondContact O-CA 3.32Å; V252-L255 PolarHBondContact O-N 2.78Å; V252-C256 VanDerWaalsContact CA-SG 3.58Å; V252-M258 HydrophobicContact CG1-SD 4.14Å; V252-M258 HydrophobicContact CG2-CE 3.62Å; V252-M258 HydrophobicContact CG2-CG 4.34Å; V252-M258 HydrophobicContact CG2-SD 3.83Å; V252-L283 HydrophobicContact CB-CB 4.33Å; V252-L283 HydrophobicContact CB-CD1 4.5Å; V252-L283 HydrophobicContact CG1-CB 4.01Å; V252-L283 HydrophobicContact CG2-CB 4.26Å; V252-L283 HydrophobicContact CG2-CD1 4.3Å; V252-Q287 HydrophobicContact CG1-CB 3.67Å; V252-Q287 HydrophobicContact CG1-CG 3.93Å; V252-Q287 PolarHBondContact O-NE2 3.46Å
253E92.4Very high94.4Very high93 Ų9351 Ų5144%0.43525%0.252SS..Hα-helixtrans-57.7-39173.5-77.1175.4-175.400111.9R249 L255R249-E253 WeakPolarHBondContact CD-OE1 3.42Å; R249-E253 HydrophobicContact CG-CG 4.24Å; R249-E253 WeakPolarHBondContact CG-OE1 3.28Å; R249-E253 IonicContact CZ-OE1 2.68Å; R249-E253 IonicContact NE-OE1 3.57Å; R249-E253 IonicContact NH1-OE1 3.76Å; R249-E253 PolarHBondContact NH1-OE1 3.35Å; R249-E253 IonicContact NH1-OE2 2.65Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.49Å; R249-E253 PolarHBondContact O-N 2.97Å; E253-L255 PolarHBondContact O-N 3.19Å
254N93.6Very high94.4Very high75 Ų7556.2 Ų56.240%0.40127%0.271SS..THydrogen-bonded Turntrans-84.316.5175.3-69.7-83.1000113.8I219 I225 I250 L251 V252I219-N254 HydrophobicContact CG2-CB 4.09Å; I225-N254 HydrophobicContact CD1-CB 3.63Å; I225-N254 VanDerWaalsContact CD1-O 3.24Å; I225-N254 WeakPolarHBondContact CD1-O 3.43Å; I250-N254 PolarHBondContact O-N 2.94Å; I250-N254 PolarHBondContact O-ND2 3.12Å; L251-N254 CarbonylContact O-C 3.48Å; L251-N254 PolarHBondContact O-N 3.26Å; V252-N254 VanDerWaalsContact C-N 3.26Å; V252-N254 PolarHBondContact O-N 2.89Å
255L91.1Very high94.3Very high68 Ų6855.2 Ų55.236%0.35628%0.281SS..THydrogen-bonded Turntrans64.740.7172.5-51.7178.9000114.9L251 V252 E253 Q287 M291L251-L255 PolarHBondContact O-N 3.03Å; V252-L255 WeakPolarHBondContact O-CA 3.32Å; V252-L255 PolarHBondContact O-N 2.78Å; E253-L255 PolarHBondContact O-N 3.19Å; L255-Q287 HydrophobicContact CD2-CG 3.88Å; L255-M291 HydrophobicContact CD1-SD 3.75Å; L255-M291 HydrophobicContact CD2-CG 4.03Å; L255-M291 HydrophobicContact CD2-SD 3.86Å; L255-M291 HydrophobicContact CG-SD 4.45Å
256C92.6Very high94.4Very high3 Ų354.1 Ų54.12%0.0228%0.275CS..  trans-57.1143.4165.570.90000111.6I225 L251 V252 M258 Q287I225-C256 HydrophobicContact CG2-CB 3.54Å; L251-C256 HydrophobicContact CB-CB 4.21Å; L251-C256 VanDerWaalsContact O-CB 3.28Å; L251-C256 WeakPolarHBondContact O-CB 3.09Å; L251-C256 PolarHBondContact O-N 2.78Å; L251-C256 PolarHBondContact O-SG 3.27Å; L251-C256 VanDerWaalsContact O-SG 3.32Å; V252-C256 VanDerWaalsContact CA-SG 3.58Å; C256-M258 PolarHBondContact O-N 3.11Å; C256-Q287 PolarHBondContact O-NE2 3.43Å
257N92.6Very high94.4Very high70 Ų7051.9 Ų51.937%0.37427%0.267SS..  trans-82.9102.9176.5-177.2-2.1000110.6N226 E259 L260N226-N257 WeakPolarHBondContact OD1-CB 3.16Å; N226-N257 PolarHBondContact OD1-N 2.96Å; N257-E259 PolarHBondContact O-N 3.01Å; N257-E259 WeakPolarHBondContact OD1-CB 3.36Å; N257-E259 PolarHBondContact OD1-N 2.87Å; N257-L260 HydrophobicContact CB-CD1 3.88Å; N257-L260 HydrophobicContact CB-CG 3.91Å; N257-L260 PolarHBondContact O-N 3.29Å
258M90.8Very high94.4Very high4 Ų451.9 Ų51.92%0.0227%0.267CS..THydrogen-bonded Turntrans-73.3-13-178.8-46.8-178.777.600113.5L236 V252 C256 F269 L280 Q284L236-M258 HydrophobicContact CD2-CB 4.07Å; L236-M258 HydrophobicContact CD2-CE 4.33Å; L236-M258 HydrophobicContact CD2-CG 3.85Å; V252-M258 HydrophobicContact CG1-SD 4.14Å; V252-M258 HydrophobicContact CG2-CE 3.62Å; V252-M258 HydrophobicContact CG2-CG 4.34Å; V252-M258 HydrophobicContact CG2-SD 3.83Å; C256-M258 PolarHBondContact O-N 3.11Å; M258-F269 HydrophobicContact CB-CE2 3.99Å; M258-F269 HydrophobicContact CE-CE2 4.2Å; M258-F269 HydrophobicContact CE-CZ 3.7Å; M258-L280 HydrophobicContact CE-CD1 3.42Å; M258-L280 VanDerWaalsContact CE-CD1 3.42Å; M258-L280 HydrophobicContact CE-CG 3.7Å; M258-Q284 HydrophobicContact CE-CB 3.97Å; M258-Q284 HydrophobicContact SD-CB 3.66Å; M258-Q284 HydrophobicContact SD-CG 3.79Å
259E92.3Very high94.3Very high156 Ų15653.6 Ų53.673%0.72927%0.274SS*.THydrogen-bonded Turntrans-88-2178.2-55.6-179172.300112.9N257 V261N257-E259 PolarHBondContact O-N 3.01Å; N257-E259 WeakPolarHBondContact OD1-CB 3.36Å; N257-E259 PolarHBondContact OD1-N 2.87Å; E259-V261 PolarHBondContact O-N 3.34Å
260L94.1Very high94.3Very high42 Ų4254.9 Ų54.922%0.2229%0.287CS..  trans-67.9129.9176.9-73.9173.1000110.8N226 T234 H237 N257N226-L260 HydrophobicContact CB-CD1 3.74Å; T234-L260 HydrophobicContact CG2-CB 4.25Å; T234-L260 HydrophobicContact CG2-CD1 3.88Å; H237-L260 PolarHBondContact CE1-O 3Å; H237-L260 PolarHBondContact NE2-O 2.9Å; N257-L260 HydrophobicContact CB-CD1 3.88Å; N257-L260 HydrophobicContact CB-CG 3.91Å; N257-L260 PolarHBondContact O-N 3.29Å
261V95.8Very high94.3Very high65 Ų6555.3 Ų55.339%0.39429%0.289SS..  trans-97.5145.2174.2-65.10000113.2K228 E259 G265 Q266 T267K228-V261 PolarHBondContact NZ-O 3.23Å; E259-V261 PolarHBondContact O-N 3.34Å; V261-G265 WeakPolarHBondContact CG1-O 3.27Å; V261-Q266 CarbonylContact C-O 3.58Å; V261-Q266 WeakPolarHBondContact CA-O 3.25Å; V261-T267 HydrophobicContact CG1-CG2 3.78Å
262N95.6Very high94.3Very high7 Ų756.3 Ų56.34%0.03730%0.298CS..  trans-70.3-179.6168.275.16.9000111.9G232 M264 G265 Q266G232-N262 WeakPolarHBondContact O-CA 3.49Å; N262-M264 PolarHBondContact O-N 3.24Å; N262-M264 WeakPolarHBondContact OD1-CA 3.3Å; N262-M264 WeakPolarHBondContact OD1-CB 3.42Å; N262-M264 PolarHBondContact OD1-N 3.46Å; N262-G265 PolarHBondContact O-N 2.92Å; N262-G265 VanDerWaalsContact O-N 3.08Å; N262-G265 PolarHBondContact OD1-N 3.22Å; N262-Q266 PolarHBondContact N-O 2.97Å; N262-Q266 PolarHBondContact ND2-OE1 2.99Å; N262-Q266 PolarHBondContact OD1-N 2.88Å; N262-Q266 PolarHBondContact OD1-O 3.23Å
263K95.8Very high94.2Very high141 Ų14157.9 Ų57.961%0.61331%0.306SS*.THydrogen-bonded Turntrans-64.5-20.4178.1-74.2-178178.9179.90114Y230 D231 G265Y230-K263 WeakPolarHBondContact O-CD 3.17Å; Y230-K263 WeakPolarHBondContact O-CE 3.36Å; Y230-K263 PolarHBondContact O-NZ 2.88Å; D231-K263 VanDerWaalsContact O-CB 3.25Å; D231-K263 WeakPolarHBondContact O-CB 3.31Å; D231-K263 WeakPolarHBondContact O-CG 3.47Å; D231-K263 PolarHBondContact O-N 2.9Å; K263-G265 VanDerWaalsContact C-N 3.32Å
264M94.9Very high94.2Very high139 Ų13959.1 Ų59.169%0.68531%0.312SS*.THydrogen-bonded Turntrans-84.2-7.3176.2-55.6-61.7100.900112.5N262N262-M264 PolarHBondContact O-N 3.24Å; N262-M264 WeakPolarHBondContact OD1-CA 3.3Å; N262-M264 WeakPolarHBondContact OD1-CB 3.42Å; N262-M264 PolarHBondContact OD1-N 3.46Å
265G95.4Very high94.2Very high49 Ų4959.5 Ų59.551%0.50531%0.314SS..SBendtrans87.17.8-178.700000114.8V261 N262 K263V261-G265 WeakPolarHBondContact CG1-O 3.27Å; N262-G265 PolarHBondContact O-N 2.92Å; N262-G265 VanDerWaalsContact O-N 3.08Å; N262-G265 PolarHBondContact OD1-N 3.22Å; K263-G265 VanDerWaalsContact C-N 3.32Å
266Q96.6Very high94.3Very high66 Ų6656.4 Ų56.431%0.30830%0.298SS..  trans-83.2140.4174.8-68.1167.7-79.400110.6H237 V261 N262 D270H237-Q266 PolarHBondContact NE2-O 3.22Å; V261-Q266 CarbonylContact C-O 3.58Å; V261-Q266 WeakPolarHBondContact CA-O 3.25Å; N262-Q266 PolarHBondContact N-O 2.97Å; N262-Q266 PolarHBondContact ND2-OE1 2.99Å; N262-Q266 PolarHBondContact OD1-N 2.88Å; N262-Q266 PolarHBondContact OD1-O 3.23Å; Q266-D270 HydrophobicContact CB-CB 3.8Å; Q266-D270 HydrophobicContact CG-CB 4.02Å; Q266-D270 PolarHBondContact NE2-O 3.46Å
267T96.3Very high94.3Very high28 Ų2859.5 Ų59.517%0.17231%0.314CS..  trans-82.1177165.168.80000111.2V261 F269 D270V261-T267 HydrophobicContact CG1-CG2 3.78Å; T267-F269 PolarHBondContact O-N 3.34Å; T267-F269 PolarHBondContact OG1-N 2.99Å; T267-D270 WeakPolarHBondContact CB-OD2 3.18Å; T267-D270 PolarHBondContact N-OD2 3.2Å; T267-D270 PolarHBondContact O-N 3.1Å; T267-D270 PolarHBondContact OG1-N 3.34Å; T267-D270 PolarHBondContact OG1-OD2 3.28Å
268A95.1Very high94.4Very high1 Ų158.5 Ų58.51%0.00832%0.32CS..SBendtrans-59.9-22.6170.900000113.8L236 A240 A272 L280L236-A268 HydrophobicContact CB-CB 4.38Å; L236-A268 HydrophobicContact CD2-CB 3.68Å; L236-A268 HydrophobicContact CG-CB 3.81Å; A240-A268 WeakPolarHBondContact CB-O 3.13Å; A268-A272 WeakPolarHBondContact O-CB 3.27Å; A268-A272 PolarHBondContact O-N 2.97Å; A268-L280 HydrophobicContact CB-CD2 4.49Å
269F95.5Very high94.5Very high36 Ų3660.7 Ų60.716%0.15833%0.328CS..SBendtrans-78.2-39.6174.6-61.1-96.8000112M258 T267 V271 A272 L277 L280 E281 Q284M258-F269 HydrophobicContact CB-CE2 3.99Å; M258-F269 HydrophobicContact CE-CE2 4.2Å; M258-F269 HydrophobicContact CE-CZ 3.7Å; T267-F269 PolarHBondContact O-N 3.34Å; T267-F269 PolarHBondContact OG1-N 2.99Å; F269-V271 PolarHBondContact O-N 3.36Å; F269-V271 VanDerWaalsContact O-N 3.12Å; F269-A272 PolarHBondContact O-N 3.04Å; F269-L277 HydrophobicContact CB-CD1 4.01Å; F269-L277 HydrophobicContact CD1-CD1 4.02Å; F269-L280 HydrophobicContact CD1-CB 4.3Å; F269-L280 HydrophobicContact CD1-CD2 3.67Å; F269-L280 HydrophobicContact CD1-CG 3.99Å; F269-L280 HydrophobicContact CD2-CD2 4.33Å; F269-L280 HydrophobicContact CE1-CB 4.02Å; F269-L280 HydrophobicContact CE1-CD2 3.83Å; F269-L280 HydrophobicContact CE1-CG 3.63Å; F269-L280 HydrophobicContact CE2-CD2 4.46Å; F269-L280 HydrophobicContact CG-CD2 3.93Å; F269-L280 HydrophobicContact CZ-CD2 4.22Å; F269-L280 HydrophobicContact CZ-CG 3.98Å; F269-E281 HydrophobicContact CE1-CG 4.31Å; F269-Q284 HydrophobicContact CZ-CB 4.06Å; F269-Q284 HydrophobicContact CZ-CG 4.26Å; F269-Q284 VanDerWaalsContact CZ-NE2 3.32Å
270D95Very high94.6Very high100 Ų10053.2 Ų53.254%0.53529%0.294SS..THydrogen-bonded Turntrans-73.1-0.4-179-53.4-77.6000113.5Q266 T267Q266-D270 HydrophobicContact CB-CB 3.8Å; Q266-D270 HydrophobicContact CG-CB 4.02Å; Q266-D270 PolarHBondContact NE2-O 3.46Å; T267-D270 WeakPolarHBondContact CB-OD2 3.18Å; T267-D270 PolarHBondContact N-OD2 3.2Å; T267-D270 PolarHBondContact O-N 3.1Å; T267-D270 PolarHBondContact OG1-N 3.34Å; T267-D270 PolarHBondContact OG1-OD2 3.28Å
271V94.8Very high94.5Very high14 Ų1455.6 Ų55.69%0.08530%0.304CS..THydrogen-bonded Turntrans-132.56.8177.178.50000111.8W233 H237 H241 F269W233-V271 HydrophobicContact CH2-CG2 3.53Å; W233-V271 HydrophobicContact CZ2-CG2 3.74Å; W233-V271 HydrophobicContact CZ3-CG2 4.31Å; H237-V271 HydrophobicContact CB-CG1 4.05Å; H241-V271 WeakPolarHBondContact CA-O 3.37Å; H241-V271 HydrophobicContact CB-CG2 4.4Å; H241-V271 WeakPolarHBondContact CB-O 3.37Å; H241-V271 PolarHBondContact CD2-O 3.12Å; H241-V271 VanDerWaalsContact CD2-O 3.28Å; F269-V271 PolarHBondContact O-N 3.36Å; F269-V271 VanDerWaalsContact O-N 3.12Å
272A96Very high94.5Very high22 Ų2256.9 Ų56.918%0.18231%0.305CS..SBendtrans-70.1150.7175.700000111.1A240 A268 F269 L277 L280A240-A272 HydrophobicContact CB-CB 4Å; A240-A272 WeakPolarHBondContact O-CA 3.36Å; A268-A272 WeakPolarHBondContact O-CB 3.27Å; A268-A272 PolarHBondContact O-N 2.97Å; F269-A272 PolarHBondContact O-N 3.04Å; A272-L277 HydrophobicContact CB-CB 4.3Å; A272-L277 HydrophobicContact CB-CD1 4.18Å; A272-L280 HydrophobicContact CB-CD2 4.46Å
273D93.1Very high94.4Very high36 Ų3656.9 Ų56.919%0.19331%0.305CS..  trans-62.7151.9164-175.4-95.5000111.4A240 D275 V276 L277 I889A240-D273 PolarHBondContact O-N 3.13Å; D273-D275 PolarHBondContact O-N 3.34Å; D273-D275 WeakPolarHBondContact OD1-CB 3.11Å; D273-D275 PolarHBondContact OD1-N 3.02Å; D273-V276 PolarHBondContact O-N 3.38Å; D273-L277 PolarHBondContact O-N 3.41Å; D273-L277 VanDerWaalsContact O-N 3.15Å; D273-I889 VanDerWaalsContact OD1-CD1 3.28Å; D273-I889 WeakPolarHBondContact OD1-CD1 3.3Å; D273-I889 WeakPolarHBondContact OD2-CD1 3.43Å
274E92.1Very high94.2Very high120 Ų12053 Ų5356%0.56129%0.289SS*.THydrogen-bonded Turntrans-61.5-31.8-176.8-61.7-171.5179.300112.1I889 R892E274-I889 HydrophobicContact CB-CD1 3.85Å; E274-I889 HydrophobicContact CG-CD1 4.49Å; E274-R892 IonicContact OE1-CZ 3.04Å; E274-R892 IonicContact OE1-NH1 2.73Å; E274-R892 PolarHBondContact OE1-NH1 3.44Å; E274-R892 IonicContact OE1-NH2 2.99Å
275D91.9Very high94.2Very high82 Ų8252 Ų5244%0.43928%0.281SS..THydrogen-bonded Turntrans-73.3-42.4-179.9-69.4-24.8000111.9D273D273-D275 PolarHBondContact O-N 3.34Å; D273-D275 WeakPolarHBondContact OD1-CB 3.11Å; D273-D275 PolarHBondContact OD1-N 3.02Å
276V93.8Very high94Very high3 Ų354.1 Ų54.12%0.01828%0.276CS..Hα-helixtrans-84.5-17.3-174.4176.80000113.6E245 D273 G278 Y279 L280E245-V276 HydrophobicContact CG-CG1 4.39Å; E245-V276 HydrophobicContact CG-CG2 3.62Å; D273-V276 PolarHBondContact O-N 3.38Å; V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 3.2Å; V276-Y279 WeakPolarHBondContact O-CB 3.37Å; V276-Y279 PolarHBondContact O-N 3.28Å; V276-Y279 VanDerWaalsContact O-N 3.16Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 PolarHBondContact O-N 3.26Å
277L93.5Very high93.7Very high68 Ų6852.3 Ų52.336%0.35627%0.268SS..Hα-helixtrans-54.5-44.3-178.5179.562.4000113.3F269 A272 D273 L280 E281F269-L277 HydrophobicContact CB-CD1 4.01Å; F269-L277 HydrophobicContact CD1-CD1 4.02Å; A272-L277 HydrophobicContact CB-CB 4.3Å; A272-L277 HydrophobicContact CB-CD1 4.18Å; D273-L277 PolarHBondContact O-N 3.41Å; D273-L277 VanDerWaalsContact O-N 3.15Å; L277-L280 PolarHBondContact O-N 3.32Å; L277-E281 PolarHBondContact O-N 3.1Å
278G93.1Very high93.3Very high49 Ų4954.4 Ų54.451%0.50528%0.278SS..Hα-helixtrans-66.7-39.1179.300000113.1V276 E281 E282V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 3.2Å; G278-E281 PolarHBondContact O-N 2.84Å; G278-E282 PolarHBondContact O-N 2.91Å
279Y94Very high93.1Very high50 Ų5058.6 Ų58.620%0.19630%0.3CS..Hα-helixtrans-66.3-39.6175.1-177.6-111.2000111.8E245 R249 V276 E281 E282 L283E245-Y279 HydrophobicContact CB-CD1 4.16Å; E245-Y279 HydrophobicContact CB-CE1 3.93Å; E245-Y279 HydrophobicContact CG-CD1 4.15Å; E245-Y279 HydrophobicContact CG-CE1 4.4Å; R249-Y279 HydrophobicContact CB-CE1 4.43Å; R249-Y279 WeakPolarHBondContact CD-OH 3.47Å; V276-Y279 WeakPolarHBondContact O-CB 3.37Å; V276-Y279 PolarHBondContact O-N 3.28Å; V276-Y279 VanDerWaalsContact O-N 3.16Å; Y279-E281 VanDerWaalsContact C-N 3.31Å; Y279-E281 PolarHBondContact O-N 3.1Å; Y279-E282 WeakPolarHBondContact O-CB 3.1Å; Y279-E282 PolarHBondContact O-N 2.95Å; Y279-L283 HydrophobicContact CD1-CD1 3.76Å; Y279-L283 HydrophobicContact CD1-CG 4.13Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CD2 4.25Å; Y279-L283 HydrophobicContact CE1-CG 3.86Å; Y279-L283 WeakPolarHBondContact O-CG 3.18Å; Y279-L283 PolarHBondContact O-N 3.42Å
280L94Very high92.4Very high0 Ų060.2 Ų60.20%031%0.31CS..Hα-helixtrans-62.7-35.9177.1-165.366.4000112.1L236 A240 C248 M258 A268 F269 A272 V276 L277 Q284L236-L280 HydrophobicContact CD1-CD1 4.2Å; A240-L280 HydrophobicContact CB-CD2 4.23Å; C248-L280 HydrophobicContact CB-CD1 4.29Å; M258-L280 HydrophobicContact CE-CD1 3.42Å; M258-L280 VanDerWaalsContact CE-CD1 3.42Å; M258-L280 HydrophobicContact CE-CG 3.7Å; A268-L280 HydrophobicContact CB-CD2 4.49Å; F269-L280 HydrophobicContact CD1-CB 4.3Å; F269-L280 HydrophobicContact CD1-CD2 3.67Å; F269-L280 HydrophobicContact CD1-CG 3.99Å; F269-L280 HydrophobicContact CD2-CD2 4.33Å; F269-L280 HydrophobicContact CE1-CB 4.02Å; F269-L280 HydrophobicContact CE1-CD2 3.83Å; F269-L280 HydrophobicContact CE1-CG 3.63Å; F269-L280 HydrophobicContact CE2-CD2 4.46Å; F269-L280 HydrophobicContact CG-CD2 3.93Å; F269-L280 HydrophobicContact CZ-CD2 4.22Å; F269-L280 HydrophobicContact CZ-CG 3.98Å; A272-L280 HydrophobicContact CB-CD2 4.46Å; V276-L280 WeakPolarHBondContact O-CB 3.49Å; V276-L280 PolarHBondContact O-N 3.26Å; L277-L280 PolarHBondContact O-N 3.32Å; L280-Q284 WeakPolarHBondContact O-CB 3.46Å; L280-Q284 PolarHBondContact O-N 3.37Å
281E93.2Very high91.7Very high92 Ų9260 Ų6043%0.4331%0.307SS..Hα-helixtrans-64.7-39.9170.3-71.7-161.6-175.100112.7F269 L277 G278 Y279 Q284 K285F269-E281 HydrophobicContact CE1-CG 4.31Å; L277-E281 PolarHBondContact O-N 3.1Å; G278-E281 PolarHBondContact O-N 2.84Å; Y279-E281 VanDerWaalsContact C-N 3.31Å; Y279-E281 PolarHBondContact O-N 3.1Å; E281-Q284 PolarHBondContact O-N 2.85Å; E281-K285 VanDerWaalsContact O-CD 3.26Å; E281-K285 WeakPolarHBondContact O-CD 3.45Å; E281-K285 WeakPolarHBondContact O-CE 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.44Å; E281-K285 PolarHBondContact O-N 3.03Å; E281-K285 IonicContact OE2-NZ 2.74Å; E281-K285 PolarHBondContact OE2-NZ 2.65Å
282E94.6Very high91Very high92 Ų9266.4 Ų66.443%0.4333%0.329SS..Hα-helixtrans-66.6-43.4178.2-158.6-163.3147.700111.3G278 Y279 Q284 K285 K286G278-E282 PolarHBondContact O-N 2.91Å; Y279-E282 WeakPolarHBondContact O-CB 3.1Å; Y279-E282 PolarHBondContact O-N 2.95Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 2.89Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 3.36Å; E282-K285 VanDerWaalsContact O-N 3.16Å; E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 3.46Å; E282-K286 WeakPolarHBondContact OE1-CE 3.26Å; E282-K286 IonicContact OE1-NZ 2.75Å; E282-K286 PolarHBondContact OE1-NZ 2.65Å; E282-K286 IonicContact OE2-NZ 2.78Å
283L92.9Very high90.1Very high7 Ų770.1 Ų70.14%0.03734%0.343CS..Hα-helixtrans-57-43.1171.2-73.4-177.9000111.7C248 R249 V252 Y279 K285 K286 Q287C248-L283 HydrophobicContact CB-CD1 4.1Å; R249-L283 HydrophobicContact CB-CD1 4.26Å; R249-L283 HydrophobicContact CB-CD2 4.2Å; R249-L283 HydrophobicContact CG-CD2 4.07Å; V252-L283 HydrophobicContact CB-CB 4.33Å; V252-L283 HydrophobicContact CB-CD1 4.5Å; V252-L283 HydrophobicContact CG1-CB 4.01Å; V252-L283 HydrophobicContact CG2-CB 4.26Å; V252-L283 HydrophobicContact CG2-CD1 4.3Å; Y279-L283 HydrophobicContact CD1-CD1 3.76Å; Y279-L283 HydrophobicContact CD1-CG 4.13Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CD2 4.25Å; Y279-L283 HydrophobicContact CE1-CG 3.86Å; Y279-L283 WeakPolarHBondContact O-CG 3.18Å; Y279-L283 PolarHBondContact O-N 3.42Å; L283-K285 PolarHBondContact O-N 3.07Å; L283-K286 PolarHBondContact O-N 2.9Å; L283-Q287 WeakPolarHBondContact O-CB 3.48Å; L283-Q287 PolarHBondContact O-N 2.68Å
284Q93.5Very high89.1Confident59 Ų5973.2 Ų73.228%0.27636%0.355SS..Hα-helixtrans-63.4-39.8175.4-169.1-171.465.900112.3M258 F269 L280 E281 E282 Q287 N288M258-Q284 HydrophobicContact CE-CB 3.97Å; M258-Q284 HydrophobicContact SD-CB 3.66Å; M258-Q284 HydrophobicContact SD-CG 3.79Å; F269-Q284 HydrophobicContact CZ-CB 4.06Å; F269-Q284 HydrophobicContact CZ-CG 4.26Å; F269-Q284 VanDerWaalsContact CZ-NE2 3.32Å; L280-Q284 WeakPolarHBondContact O-CB 3.46Å; L280-Q284 PolarHBondContact O-N 3.37Å; E281-Q284 PolarHBondContact O-N 2.85Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 2.89Å; Q284-Q287 PolarHBondContact O-N 2.93Å; Q284-N288 WeakPolarHBondContact O-CB 3.41Å; Q284-N288 PolarHBondContact O-N 2.85Å; Q284-N288 PolarHBondContact O-ND2 3.08Å
285K93.1Very high88Confident118 Ų11873.9 Ų73.951%0.51336%0.356SS..Hα-helixtrans-64.6-42.9175.9-67.5155.3-161.6161.40110.7E281 E282 L283 N288 L289E281-K285 VanDerWaalsContact O-CD 3.26Å; E281-K285 WeakPolarHBondContact O-CD 3.45Å; E281-K285 WeakPolarHBondContact O-CE 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.44Å; E281-K285 PolarHBondContact O-N 3.03Å; E281-K285 IonicContact OE2-NZ 2.74Å; E281-K285 PolarHBondContact OE2-NZ 2.65Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 3.36Å; E282-K285 VanDerWaalsContact O-N 3.16Å; L283-K285 PolarHBondContact O-N 3.07Å; K285-N288 PolarHBondContact O-N 3.38Å; K285-L289 PolarHBondContact O-N 2.94Å
286K91.4Very high86.7Confident93 Ų9373.6 Ų73.640%0.40435%0.354SS..Hα-helixtrans-62.3-47173.2-72.9169.7179.3164.10112.4E282 L283 N288 L289 L290E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 3.46Å; E282-K286 WeakPolarHBondContact OE1-CE 3.26Å; E282-K286 IonicContact OE1-NZ 2.75Å; E282-K286 PolarHBondContact OE1-NZ 2.65Å; E282-K286 IonicContact OE2-NZ 2.78Å; L283-K286 PolarHBondContact O-N 2.9Å; K286-N288 VanDerWaalsContact C-N 3.3Å; K286-N288 PolarHBondContact O-N 3.25Å; K286-L289 WeakPolarHBondContact O-CB 3.45Å; K286-L289 PolarHBondContact O-N 3.4Å; K286-L289 VanDerWaalsContact O-N 3.09Å; K286-L290 WeakPolarHBondContact O-CG 3.34Å; K286-L290 PolarHBondContact O-N 3.08Å
287Q90.9Very high85Confident28 Ų2877 Ų7713%0.13138%0.383CS..Hα-helixtrans-58.7-43.4177.2-161.5-168.964.700111.3V252 L255 C256 L283 Q284 L289 L290 M291V252-Q287 HydrophobicContact CG1-CB 3.67Å; V252-Q287 HydrophobicContact CG1-CG 3.93Å; V252-Q287 PolarHBondContact O-NE2 3.46Å; L255-Q287 HydrophobicContact CD2-CG 3.88Å; C256-Q287 PolarHBondContact O-NE2 3.43Å; L283-Q287 WeakPolarHBondContact O-CB 3.48Å; L283-Q287 PolarHBondContact O-N 2.68Å; Q284-Q287 PolarHBondContact O-N 2.93Å; Q287-L289 VanDerWaalsContact C-N 3.34Å; Q287-L289 PolarHBondContact O-N 3.41Å; Q287-L290 PolarHBondContact O-N 2.98Å; Q287-M291 WeakPolarHBondContact O-CB 3.36Å; Q287-M291 WeakPolarHBondContact O-CG 3.25Å; Q287-M291 PolarHBondContact O-N 3.32Å
288N88.4Confident83.4Confident72 Ų7282.6 Ų82.639%0.38540%0.404SS..Hα-helixtrans-63.9-35.1175.5-89.8-83.2000113.3Q284 K285 K286 R292Q284-N288 WeakPolarHBondContact O-CB 3.41Å; Q284-N288 PolarHBondContact O-N 2.85Å; Q284-N288 PolarHBondContact O-ND2 3.08Å; K285-N288 PolarHBondContact O-N 3.38Å; K286-N288 VanDerWaalsContact C-N 3.3Å; K286-N288 PolarHBondContact O-N 3.25Å; N288-R292 WeakPolarHBondContact O-CD 3.23Å; N288-R292 VanDerWaalsContact O-CG 3.25Å; N288-R292 WeakPolarHBondContact O-CG 3.48Å; N288-R292 PolarHBondContact O-N 3.45Å
289L90.3Very high81.7Confident90 Ų9086.4 Ų86.447%0.47141%0.407SS..Hα-helixtrans-68.2-52.6175.5-174.964.4000111K285 K286 Q287 M291 R292 E293K285-L289 PolarHBondContact O-N 2.94Å; K286-L289 WeakPolarHBondContact O-CB 3.45Å; K286-L289 PolarHBondContact O-N 3.4Å; K286-L289 VanDerWaalsContact O-N 3.09Å; Q287-L289 VanDerWaalsContact C-N 3.34Å; Q287-L289 PolarHBondContact O-N 3.41Å; L289-M291 PolarHBondContact O-N 3.17Å; L289-R292 WeakPolarHBondContact O-CA 3.48Å; L289-R292 WeakPolarHBondContact O-CB 3.49Å; L289-R292 PolarHBondContact O-N 3.23Å; L289-E293 PolarHBondContact O-N 2.84Å
290L81.6Confident79.5Confident70 Ų7088 Ų8837%0.36643%0.425SS..Hα-helixtrans-57.2-33.9176.8-68168.4000112.4K286 Q287 K294K286-L290 WeakPolarHBondContact O-CG 3.34Å; K286-L290 PolarHBondContact O-N 3.08Å; Q287-L290 PolarHBondContact O-N 2.98Å; L290-K294 VanDerWaalsContact O-CB 3.27Å; L290-K294 WeakPolarHBondContact O-CB 3.26Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.41Å; L290-K294 PolarHBondContact O-N 3.35Å
291M78.8Confident77.3Confident94 Ų9493.2 Ų93.246%0.46346%0.459SS..Hα-helixtrans-76.9-21.9175.9-73.2-68.1-82.400113.8L255 Q287 L289 K295L255-M291 HydrophobicContact CD1-SD 3.75Å; L255-M291 HydrophobicContact CD2-CG 4.03Å; L255-M291 HydrophobicContact CD2-SD 3.86Å; L255-M291 HydrophobicContact CG-SD 4.45Å; Q287-M291 WeakPolarHBondContact O-CB 3.36Å; Q287-M291 WeakPolarHBondContact O-CG 3.25Å; Q287-M291 PolarHBondContact O-N 3.32Å; L289-M291 PolarHBondContact O-N 3.17Å; M291-K295 VanDerWaalsContact O-CB 3.28Å; M291-K295 WeakPolarHBondContact O-CB 3.49Å; M291-K295 PolarHBondContact O-N 2.95Å
292R80.7Confident74.8Confident149 Ų14995.6 Ų95.656%0.56247%0.474SS*.Hα-helixtrans-75.8-49.4167.5-68.3161.4-165.6-175.54.7110N288 L289 K294 K295 D296N288-R292 WeakPolarHBondContact O-CD 3.23Å; N288-R292 VanDerWaalsContact O-CG 3.25Å; N288-R292 WeakPolarHBondContact O-CG 3.48Å; N288-R292 PolarHBondContact O-N 3.45Å; L289-R292 WeakPolarHBondContact O-CA 3.48Å; L289-R292 WeakPolarHBondContact O-CB 3.49Å; L289-R292 PolarHBondContact O-N 3.23Å; R292-K294 PolarHBondContact O-N 2.91Å; R292-K295 CarbonylContact O-C 3.44Å; R292-K295 WeakPolarHBondContact O-CA 2.76Å; R292-K295 VanDerWaalsContact O-CB 3.31Å; R292-K295 WeakPolarHBondContact O-CB 3.34Å; R292-K295 PolarHBondContact O-N 3.2Å; R292-D296 PolarHBondContact O-N 2.93Å
293E77.3Confident72.5Confident101 Ų10198.5 Ų98.547%0.47249%0.491SS..Hα-helixtrans-56.2-49.1176.7-68168.5178.700112L289 K295 D296 A297L289-E293 PolarHBondContact O-N 2.84Å; E293-K295 PolarHBondContact O-N 3.03Å; E293-K295 VanDerWaalsContact O-N 3.12Å; E293-D296 PolarHBondContact O-N 3.42Å; E293-A297 VanDerWaalsContact O-CB 3.27Å; E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3.28Å
294K71.1Confident70Confident101 Ų101105.4 Ų105.444%0.43952%0.523SS..Hα-helixtrans-63.7-14.4174.4-73.9172.3-179.2172.50114.2L290 R292 K298L290-K294 VanDerWaalsContact O-CB 3.27Å; L290-K294 WeakPolarHBondContact O-CB 3.26Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.41Å; L290-K294 PolarHBondContact O-N 3.35Å; R292-K294 PolarHBondContact O-N 2.91Å; K294-K298 VanDerWaalsContact O-CD 3.23Å; K294-K298 WeakPolarHBondContact O-CD 3.48Å; K294-K298 WeakPolarHBondContact O-CE 3.49Å; K294-K298 VanDerWaalsContact O-CG 3.29Å; K294-K298 WeakPolarHBondContact O-CG 3.43Å
295K70.4Confident67.3Low133 Ų133109 Ų10958%0.57855%0.549SS*.Hα-helixtrans-95.7-35.9175.8-177.4178.6-172.6173.70111.7M291 R292 E293 K298 K299M291-K295 VanDerWaalsContact O-CB 3.28Å; M291-K295 WeakPolarHBondContact O-CB 3.49Å; M291-K295 PolarHBondContact O-N 2.95Å; R292-K295 CarbonylContact O-C 3.44Å; R292-K295 WeakPolarHBondContact O-CA 2.76Å; R292-K295 VanDerWaalsContact O-CB 3.31Å; R292-K295 WeakPolarHBondContact O-CB 3.34Å; R292-K295 PolarHBondContact O-N 3.2Å; E293-K295 PolarHBondContact O-N 3.03Å; E293-K295 VanDerWaalsContact O-N 3.12Å; K295-K298 CarbonylContact O-C 3.55Å; K295-K298 PolarHBondContact O-N 2.95Å; K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.46Å
296D63Low64.5Low76 Ų76109.5 Ų109.541%0.40656%0.562SS.*Hα-helixtrans-82.4-33.7-178.9-63.2-41000111.5R292 E293 K298 K299 S300R292-D296 PolarHBondContact O-N 2.93Å; E293-D296 PolarHBondContact O-N 3.42Å; D296-K298 PolarHBondContact O-N 3.25Å; D296-K299 CarbonylContact O-C 3.54Å; D296-K299 WeakPolarHBondContact O-CA 3.5Å; D296-K299 WeakPolarHBondContact O-CB 3.38Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 WeakPolarHBondContact OD1-CD 3.32Å; D296-K299 WeakPolarHBondContact OD1-CE 3.46Å; D296-K299 IonicContact OD1-NZ 2.74Å; D296-K299 PolarHBondContact OD1-NZ 2.88Å; D296-S300 PolarHBondContact O-N 3.36Å; D296-S300 VanDerWaalsContact O-N 3.16Å
297A58.9Low61.8Low75 Ų75111.4 Ų111.462%0.6258%0.581SS**THydrogen-bonded Turntrans-62.3-18.616400000113.7E293 S300E293-A297 VanDerWaalsContact O-CB 3.27Å; E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3.28Å; A297-S300 PolarHBondContact O-OG 3.36Å
298K61Low58.9Low185 Ų185116.8 Ų116.880%0.80462%0.617SS**THydrogen-bonded Turntrans-94.5-2.7171.2-69178.9-172.7175.90113.5K294 K295 D296K294-K298 VanDerWaalsContact O-CD 3.23Å; K294-K298 WeakPolarHBondContact O-CD 3.48Å; K294-K298 WeakPolarHBondContact O-CE 3.49Å; K294-K298 VanDerWaalsContact O-CG 3.29Å; K294-K298 WeakPolarHBondContact O-CG 3.43Å; K295-K298 CarbonylContact O-C 3.55Å; K295-K298 PolarHBondContact O-N 2.95Å; D296-K298 PolarHBondContact O-N 3.25Å
299K57.5Low56.3Low130 Ų130116.8 Ų116.857%0.56563%0.633SS**THydrogen-bonded Turntrans-109.9-5.6177.3-80.8164.3162.1-176.40113.6K295 D296 P301K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.46Å; D296-K299 CarbonylContact O-C 3.54Å; D296-K299 WeakPolarHBondContact O-CA 3.5Å; D296-K299 WeakPolarHBondContact O-CB 3.38Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 WeakPolarHBondContact OD1-CD 3.32Å; D296-K299 WeakPolarHBondContact OD1-CE 3.46Å; D296-K299 IonicContact OD1-NZ 2.74Å; D296-K299 PolarHBondContact OD1-NZ 2.88Å; K299-P301 VanDerWaalsContact C-CD 3.44Å; K299-P301 WeakPolarHBondContact O-CD 3.49Å
300S46.8Very low53.5Low83 Ų83120.3 Ų120.358%0.5865%0.653SS**  trans-89.987.7172.849.50000110.1D296 A297D296-S300 PolarHBondContact O-N 3.36Å; D296-S300 VanDerWaalsContact O-N 3.16Å; A297-S300 PolarHBondContact O-OG 3.36Å
301P47.9Very low51Low109 Ų109124.1 Ų124.171%0.70867%0.673SS**  trans-64.8140.5165.631.1-35.7000108.9K299 I303K299-P301 VanDerWaalsContact C-CD 3.44Å; K299-P301 WeakPolarHBondContact O-CD 3.49Å; P301-I303 PolarHBondContact O-N 3.42Å
302L41.6Very low48.8Very low143 Ų143126.2 Ų126.275%0.74969%0.687SS**  trans-59.4123.6172-171.667.2000109.2E304L302-E304 VanDerWaalsContact C-N 3.27Å; L302-E304 HydrophobicContact CD2-CG 3.82Å; L302-E304 HydrophobicContact CG-CG 4.01Å; L302-E304 PolarHBondContact O-N 3.49Å
303I44.5Very low46.6Very low153 Ų153128 Ų12879%0.78570%0.701SS**  trans-81.378.3176.7-53.9179.4000108.5P301P301-I303 PolarHBondContact O-N 3.42Å
304E40.5Very low44.4Very low152 Ų152128.3 Ų128.371%0.7171%0.714SS**PPolyproline II helixtrans-79121.6164.3-67.3-169.5164.200109.3L302 T306L302-E304 VanDerWaalsContact C-N 3.27Å; L302-E304 HydrophobicContact CD2-CG 3.82Å; L302-E304 HydrophobicContact CG-CG 4.01Å; L302-E304 PolarHBondContact O-N 3.49Å; E304-T306 PolarHBondContact O-N 3.07Å
305V38.3Very low42.5Very low134 Ų134129.9 Ų129.981%0.81273%0.727SS**PPolyproline II helixtrans-75.9118.5-178.5-179.60000109.2
306T32.6Very low40.6Very low128 Ų128131.7 Ų131.779%0.78574%0.735SS**PPolyproline II helixtrans-74.9127.4-169.354.80000114.2E304E304-T306 PolarHBondContact O-N 3.07Å
307T34.5Very low39Very low133 Ų133134.1 Ų134.182%0.81676%0.755SS**  trans-128.289.615642.70000111.5
308T31.4Very low37.3Very low142 Ų142137.4 Ų137.487%0.87176%0.761SS**  trans21.9125.7148.156.30000120.4
309G33.8Very low35.7Very low71 Ų71137.8 Ų137.873%0.73276%0.763SS**  trans151.389.6146.100000118.9
310D30.3Very low34.5Very low165 Ų165136.6 Ų136.688%0.88277%0.771SS**  trans55.9119.8137.1-66.7-33000124.4
311N30.6Very low33.6Very low150 Ų150140.6 Ų140.680%0.80278%0.778SS**  trans97.4159.9131.3-146.11.9000120.1
312N32.2Very low32.8Very low138 Ų138141.9 Ų141.974%0.73877%0.774SS**  trans-87.3150.3-165.6-59.9-96.7000112.7
313Q33.5Very low32.4Very low185 Ų185140.7 Ų140.786%0.86477%0.773SS**  164.5151.598.3-168.3158.8102.100111.3
314S31.9Very low31.6Very low108 Ų108140.9 Ų140.976%0.75578%0.775SS**  trans-72.1140.7176.5174.10000112.3
315L30.8Very low31Very low134 Ų134140.3 Ų140.370%0.70278%0.776SS**  trans-178.1127.1144.8-99.5163.7000113.2
316K30.3Very low30.6Very low172 Ų172141.1 Ų141.175%0.74878%0.775SS**  trans44.2129.2150-62.2169.4-175170.70121.7
317P28.9Very low30.6Very low127 Ų127143.2 Ų143.283%0.82578%0.776SS**  trans-92.9130.5149.934.2-28.3000111.9
318L24.9Very low30.9Very low143 Ų143142.8 Ų142.875%0.74978%0.776SS**  trans-157.9123.9165.8-105.2176.6000112.7
319K27.6Very low30.7Very low194 Ų194142.9 Ų142.984%0.84377%0.766SS**  trans59.7105153.3-69.3172.7178.6-178.60121
320S30.5Very low30.5Very low105 Ų105146.6 Ų146.673%0.73476%0.762SS**  -150129.611940.10000106.8
321K29.6Very low30.2Very low166 Ų166144.6 Ų144.672%0.72276%0.756SS**  61.2136.380-69.3160.6143.5-86.50111.2
322E30.1Very low30.2Very low136 Ų136141.9 Ų141.964%0.63675%0.754SS**  cis-158.8177.119.6-144.6121.2-135.600111.4
323T33.9Very low30.7Very low118 Ų118140.3 Ų140.372%0.72475%0.751SS**  trans54.1123.6158.451.50000119.2
324L27.1Very low30.4Very low157 Ų157141.2 Ų141.282%0.82275%0.747SS**  53.2133.463.7-54.9176000111.7
325L27.4Very low30.4Very low141 Ų141141.7 Ų141.774%0.73874%0.74SS**  cis-166.5157.139.4-163.480.7000110.6
326L29.7Very low30.2Very low150 Ų150141.5 Ų141.579%0.78574%0.735SS**  trans24.9137.8154.5-71.9164.6000123.7
327E34.2Very low30Very low173 Ų173138.5 Ų138.581%0.80873%0.732SS**  trans-54.2161.4157.2-131.8173.2-129.800113.6
328P39.7Very low29.9Very low124 Ų124140.3 Ų140.381%0.80573%0.734SS**  -149.7-173.583.541.3-22.8000115.9
329E27.2Very low30.1Very low143 Ų143142.2 Ų142.267%0.66874%0.738SS**  trans-83.3172.6-173.4-37.8175.683.500117.9
330K29.5Very low30.9Very low150 Ų150137.7 Ų137.765%0.65273%0.729SS**  trans94.3130.6133-90.5-177.3179.1750122.8
331T24.2Very low30.8Very low122 Ų122139.9 Ų139.975%0.74873%0.728SS**  trans68.3102.2142.753.60000123
332A30Very low30.9Very low93 Ų93139.6 Ų139.677%0.76973%0.727SS**  64.9-176.3128.300000117.7
333P44Very low30.8Very low105 Ų105138.7 Ų138.768%0.68273%0.73SS**  cis-139.1-176.9-5.745.4-29000116.4
334R26.3Very low30.5Very low205 Ų205139.9 Ų139.977%0.77473%0.732SS**  trans69.2161.9153.6-76.9-179.7110.6162.31117.5E336R334-E336 IonicContact NH2-OE1 3.77Å
335I31.9Very low30.8Very low117 Ų117140.7 Ų140.760%0.673%0.732SS**  cis-144.9-1808.4-139.2159.8000113.6
336E26.8Very low31Very low131 Ų131143 Ų14361%0.61274%0.738SS**  trans-50.3167.4171.3-47.2108.9-160.500113.7R334R334-E336 IonicContact NH2-OE1 3.77Å
337T25.6Very low31.1Very low109 Ų109144.4 Ų144.467%0.66974%0.741SS**  cis-160.8133.142.146.50000112.3
338L28.8Very low31Very low165 Ų165144.7 Ų144.786%0.86474%0.742SS**  81.4142.2102.9-60.4172.6000119.1
339E28.7Very low30.5Very low182 Ų182141.9 Ų141.985%0.8574%0.736SS**  trans-78-164.3177.5-51.9-174.5132.100111.9
340P44.7Very low30.7Very low100 Ų100144.3 Ų144.365%0.64974%0.744SS**  cis-152.3-168.11247.7-26.1000119.7
341E28.2Very low30.6Very low150 Ų150144.7 Ų144.770%0.70175%0.746SS**  trans72.4145.1153.9-74.2-165.9146.800118.7
342K30.6Very low30.8Very low161 Ų161144.5 Ų144.570%0.774%0.74SS**  cis-174169.7-14.4-125.3175-168.5161.20109.3
343V28.8Very low30.7Very low117 Ų117149.2 Ų149.271%0.70975%0.746SS**  trans68.6137.8149.7157.20000116.5
344D27.4Very low29.9Very low143 Ų143149.8 Ų149.877%0.76575%0.752SS**  cis-154.8-166.8-7.3-104.1-4.7000110.4
345E34.4Very low30Very low174 Ų174145.2 Ų145.281%0.81375%0.752SS**  trans-62.3148.8-169.3-50.1174.5139.300117.8
346E29.7Very low29.5Very low188 Ų188145.4 Ų145.488%0.87976%0.762SS**  171.9145.2107.8-92.6-168157.100115.9
347E33.7Very low29.3Very low181 Ų181143.8 Ų143.885%0.84677%0.765SS**  trans29155.2160.3-108.8-172.6-176.600128.8
348E30.7Very low29.5Very low179 Ų179142.5 Ų142.584%0.83676%0.761SS**  trans32.5130160.2-71.9-136.3124.300123.2
349G29.6Very low29.7Very low64 Ų64142.7 Ų142.766%0.6676%0.758SS**  139.790.311000000120.3
350K31.2Very low29.6Very low195 Ų195142.8 Ų142.885%0.84876%0.758SS**  trans64.4122.2146.8-75.5174179.7151.90121.3
351K28.1Very low29Very low157 Ų157146.2 Ų146.268%0.68377%0.765SS**  91.6116.5122.3-80.9-166.4140.1-68.10121.6
352D27.1Very low29Very low118 Ų118148.7 Ų148.763%0.63178%0.777SS**  trans88.1143.3130.5-54.4-14000120.3
353E27.6Very low29.1Very low193 Ų193149.4 Ų149.490%0.90278%0.783SS**  trans81.1156.8165.7-51.2-158.8177.900120
354S28.6Very low29.2Very low116 Ų116152.3 Ų152.381%0.81179%0.788SS**  trans72.2110179-160.80000120.3
355S28Very low29.3Very low110 Ų110151.6 Ų151.677%0.76979%0.785SS**  trans-26151.5145.5-37.10000117.9
356C21.2Very low29.1Very low120 Ų120148.4 Ų148.481%0.81178%0.781SS**  -176.5162.2111.2-147.60000114.4
357S23.7Very low29Very low97 Ų97147.5 Ų147.568%0.67878%0.777SS**  trans65134.6145.5-109.20000125.2
358S27.8Very low28.8Very low82 Ų82143.9 Ų143.957%0.57377%0.772SS**  59.4129.2124.6-63.50000123.3
359E33.3Very low28.7Very low170 Ų170143.7 Ų143.779%0.79477%0.771SS**  24.5120.3118-55.6146.5130.200117.4
360E26.4Very low28.7Very low183 Ų183146.5 Ų146.586%0.85578%0.775SS**  -149.4142.691.1-67.2-147148.600107.4
361E33.6Very low28.6Very low173 Ų173145.6 Ų145.681%0.80877%0.774SS**  42.3121.798.2-51.2-94133.900115.3
362E28.6Very low29Very low202 Ų202142.1 Ų142.194%0.94478%0.775SS**  -163.6164.2121.7-85.8-122.5130.500109.3
363E31.8Very low29Very low175 Ų175144.2 Ų144.282%0.81879%0.786SS**  trans-103.8-161.6-164.1-87.3-88.4-15400113
364E31.6Very low29.5Very low178 Ų178144.2 Ų144.283%0.83278%0.783SS**  trans81.1140.2167.6-66.2-166.8-172.900118.2
365D27.8Very low29.5Very low128 Ų128144.4 Ų144.468%0.68479%0.785SS**  cis-165.8-166.8-27.4-155.1-17.8000108
366S31.2Very low29.7Very low107 Ų107148.4 Ų148.475%0.74879%0.788SS**  trans101.576.3170.9-46.50000115
367E28.4Very low31.3Very low170 Ų170148 Ų14879%0.79478%0.784SS**  19.5148110.1-47.5-164.311900117.6
368S28.5Very low33.1Very low105 Ų105148.6 Ų148.673%0.73479%0.786SS**  -179176.958.155.80000115.1
369E28.6Very low33.2Very low175 Ų175149.2 Ų149.282%0.81880%0.795SS**  trans78.270.2157.2-50.1-138.2129.400120.3
370T29.7Very low33.1Very low122 Ų122145.2 Ų145.275%0.74879%0.792SS**  14.2140.4118.357.80000121.2
371E28.9Very low33.4Very low176 Ų176142.9 Ų142.982%0.82279%0.79SS**  -161.4165.5108.3-105.6-60.3177.100111.2
372A37.3Very low33.2Very low84 Ų84140.5 Ų140.569%0.69479%0.787SS**  trans-149.9155.3-172.500000113.7
373D26.3Very low33.2Very low162 Ų162136 Ų13687%0.86678%0.778SS**  trans-151.3177.4150.6-145.2-14.5000113.2
374K38.6Very low33.1Very low193 Ų193132.5 Ų132.584%0.83977%0.773SS**  trans-157.5139.4-134.2170.8-173.3-176.1175.10111.7
375S27.8Very low32.9Very low121 Ų121129.4 Ų129.485%0.84677%0.766SS**  trans-148.5141.116453.10000115.8
376K32.3Very low32.8Very low194 Ų194129 Ų12984%0.84377%0.768SS**  trans-132-173.4166.9-129.6-163.4176.3173.40104.6
377P55.5Low32.6Very low112 Ų112129.5 Ų129.573%0.72777%0.767SS**  cis-134.7-129.920.429.4-0.2000113.7
378P60.7Low32.4Very low109 Ų109126.8 Ų126.871%0.70876%0.762SS**  -132175-97.841.3-24.9000117.3
379A30.7Very low32.2Very low94 Ų94127 Ų12778%0.77776%0.76SS**  146.1149.9113.500000118.9
380A30.1Very low32.2Very low87 Ų87124.6 Ų124.672%0.71976%0.757SS**  trans87.386.3136.800000125.5
381V32.5Very low32.9Very low134 Ų134123.8 Ų123.881%0.81275%0.754SS**  62.3143.7127.4-80.50000127.9
382T29.6Very low32.7Very low122 Ų122119.4 Ų119.475%0.74875%0.747SS**  trans104109.2136.823.50000124.2
383S29.2Very low32.2Very low109 Ų109121.5 Ų121.576%0.76275%0.752SS**  trans64.8143.2142.443.50000122
384S29.1Very low32.2Very low101 Ų101119.8 Ų119.871%0.70675%0.747SS**  cis-168.3166.2-952.10000114.6
385T27.3Very low31.5Very low112 Ų112114.7 Ų114.769%0.68774%0.735SS**  trans73.7110.1147.732.30000123
386T26.3Very low31.3Very low120 Ų120115 Ų11574%0.73673%0.733SS**  57.2148.3128.5550000121.6
387T26.2Very low31Very low117 Ų117111.4 Ų111.472%0.71873%0.732SS**  cis-158.7140.21.818.10000108
388T25Very low30.2Very low113 Ų113111.3 Ų111.369%0.69373%0.734SS**  93.5113.461.2-480000114.3
389T25Very low29.1Very low111 Ų111112.1 Ų112.168%0.68174%0.739SS**  trans71.4125.5148.355.10000125.6
390T28.2Very low29.5Very low124 Ų124114.2 Ų114.276%0.76174%0.742SS**  76.1167.3127.462.70000121.4
391P44.8Very low29.7Very low105 Ų105115.1 Ų115.168%0.68274%0.744SS**  cis-143.9170.3-47.440.9-25.2000116.4
392A24.3Very low30.3Very low83 Ų83115.1 Ų115.169%0.68675%0.746SS**  trans59.3168138.600000123.2
393T26Very low30.4Very low128 Ų128113.6 Ų113.679%0.78575%0.746SS**  trans73151.3163.974.40000118
394V27Very low30.4Very low126 Ų126116.1 Ų116.176%0.76475%0.751SS**  cis-155.8155.4-32.6-930000109.6
395S23.4Very low30.4Very low86 Ų86119.3 Ų119.360%0.60176%0.755SS**  trans41.6119.5138.8-560000123.2
396T23.9Very low30.4Very low128 Ų128119.8 Ų119.879%0.78576%0.757SS**  81.4140.6125.259.60000123.9
397S27Very low30.5Very low118 Ų118120.4 Ų120.483%0.82576%0.761SS**  trans90127.5143.1760000120.1
398S38Very low30.5Very low111 Ų111120.6 Ų120.678%0.77676%0.762SS**  trans-104.3155.8161.152.10000110
399P37.4Very low31.2Very low126 Ų126121.2 Ų121.282%0.81877%0.768SS**  trans-124.9160.5163.237.4-26.4000113.6
400T38.8Very low31.3Very low137 Ų137121.1 Ų121.184%0.8477%0.768SS**  trans-114.6161.3-176.1-51.40000112.2
401S35.3Very low31.5Very low107 Ų107120.3 Ų120.375%0.74877%0.767SS**  trans-57156.1-169.4-38.80000118.3
402P45.3Very low31.5Very low133 Ų133120.6 Ų120.686%0.86477%0.769SS**  trans-91.6-179.2162.638.2-34000113
403A30.7Very low31.8Very low90 Ų90122.3 Ų122.374%0.74477%0.771SS**  trans-140.7166.6-172.600000113.6
404N29.6Very low31.9Very low162 Ų162125.2 Ų125.287%0.86677%0.772SS**  trans-166.4-179147.8-108.1-38.3000114.5
405Q28.7Very low32Very low169 Ų169128.3 Ų128.379%0.7978%0.776SS**  trans-118.6176.3-158.8-48.417021.400114.4
406V27.1Very low32Very low121 Ų121130 Ų13073%0.73378%0.782SS**  149.8140.7125168.70000115.3
407T29.9Very low32.2Very low134 Ų134130.3 Ų130.382%0.82278%0.783SS**  trans74.1148.7164.840.50000123.2
408T24.5Very low32.3Very low120 Ų120133.1 Ų133.174%0.73678%0.783SS**  trans-132.1167.3176.958.50000110.7
409P40.2Very low32.4Very low127 Ų127133.8 Ų133.883%0.82579%0.785SS**  -148.1-165.998.439.7-23.2000114.7
410T26.5Very low32Very low109 Ų109132.9 Ų132.967%0.66979%0.788SS**  -165114-68-79.50000111.4
411S33.3Very low31.5Very low107 Ų107130 Ų13075%0.74879%0.786SS**  trans68.6167.7154.1-65.70000119.5
412P45.4Very low31.1Very low111 Ų111134.8 Ų134.872%0.72179%0.793SS**  cis-135.6142.68.339.2-20.5000119.8
413V30.6Very low30.2Very low119 Ų119135 Ų13572%0.72179%0.792SS**  57.1132.9122.9-176.10000119.9
414K28.3Very low29.9Very low189 Ų189135.4 Ų135.482%0.82279%0.789SS**  cis-159.2144.249.4-120.5137.5-166.4176.60109
415K28.2Very low29.5Very low191 Ų191133.9 Ų133.983%0.8379%0.786SS**  51.1134.783.8-84.1-176.6173.6-178.50114.4
416V24.2Very low29.3Very low120 Ų120134.7 Ų134.773%0.72779%0.787SS**  cis-169.4136.739.1102.90000114.5
417V26.5Very low29.2Very low135 Ų135134.4 Ų134.482%0.81879%0.785SS**  trans76.1152.5135.3-1790000125.2
418Q29.7Very low28.9Very low178 Ų178136.4 Ų136.483%0.83279%0.785SS**  trans-67.6-176.2174-86.2-176.23.300115.1
419P41Very low29Very low124 Ų124135.8 Ų135.881%0.80577%0.773SS**  cis-143.5-159.22445.3-23.1000117.5
420A29.1Very low28.5Very low107 Ų107137.3 Ų137.388%0.88478%0.775SS**  trans-95.9164.8-173.400000115.4
421G27.2Very low28.6Very low77 Ų77140.3 Ų140.379%0.79477%0.774SS**  trans-162.5166.6174.100000112.5
422K27.6Very low28.4Very low207 Ų207143.8 Ų143.890%0.978%0.776SS**  trans-127.5166.6-178.1-66.9-177.5178.9179.10112
423V25.7Very low27.4Very low138 Ų138145.6 Ų145.684%0.83678%0.779SS**  trans92.6138.7159.6-171.10000117.6
424S24.3Very low27.3Very low98 Ų98148.1 Ų148.169%0.68578%0.783SS**  trans-45.4151.4179.3-41.10000116.6
425T22.5Very low27.8Very low130 Ų130143.7 Ų143.780%0.79878%0.776SS**  -174.6149.28026.10000114.9
426K23.5Very low28.4Very low187 Ų187141 Ų14181%0.81378%0.778SS**  trans46.9128.6144.9-77.8-168.4171.8-174.20123.3
427V24.8Very low28.7Very low115 Ų115139.1 Ų139.170%0.69778%0.775SS**  70.2144.6129.1176.10000115.9
428E24.6Very low29Very low175 Ų175137.7 Ų137.782%0.81877%0.771SS**  cis-99.2154.79.8-70.2-178.5143.700112.7
429E25.4Very low28.9Very low107 Ų107138.6 Ų138.650%0.577%0.767SS.*  cis80108.740.7175.4162.4-171.800114.9R431E429-R431 HydrophobicContact CG-CG 4.18Å; E429-R431 VanDerWaalsContact OE1-CD 3.27Å; E429-R431 WeakPolarHBondContact OE1-CD 3.4Å; E429-R431 IonicContact OE1-CZ 2.96Å; E429-R431 IonicContact OE1-NE 3.39Å; E429-R431 IonicContact OE1-NH1 2.84Å; E429-R431 PolarHBondContact OE1-NH1 3.24Å; E429-R431 IonicContact OE2-CZ 3.13Å; E429-R431 VanDerWaalsContact OE2-CZ 3.22Å; E429-R431 IonicContact OE2-NH1 3.51Å; E429-R431 PolarHBondContact OE2-NH1 3.42Å; E429-R431 IonicContact OE2-NH2 3.62Å
430D30.3Very low28.4Very low159 Ų159141.5 Ų141.585%0.8576%0.762SS**  -134.1161.3121.1-149.9-21.7000108.4
431R29.3Very low28.4Very low173 Ų173144.5 Ų144.565%0.65376%0.762SS**  trans-135.8177.1-163.6-80.6-174170.9120.85.6113.1E429E429-R431 HydrophobicContact CG-CG 4.18Å; E429-R431 VanDerWaalsContact OE1-CD 3.27Å; E429-R431 WeakPolarHBondContact OE1-CD 3.4Å; E429-R431 IonicContact OE1-CZ 2.96Å; E429-R431 IonicContact OE1-NE 3.39Å; E429-R431 IonicContact OE1-NH1 2.84Å; E429-R431 PolarHBondContact OE1-NH1 3.24Å; E429-R431 IonicContact OE2-CZ 3.13Å; E429-R431 VanDerWaalsContact OE2-CZ 3.22Å; E429-R431 IonicContact OE2-NH1 3.51Å; E429-R431 PolarHBondContact OE2-NH1 3.42Å; E429-R431 IonicContact OE2-NH2 3.62Å
432K27.7Very low28.5Very low180 Ų180143.9 Ų143.978%0.78376%0.755SS**  trans102.9146.3150-65.7-174-179.5171.90117.4
433D25.3Very low28.4Very low148 Ų148142 Ų14279%0.79176%0.755SS**  cis-131.9154.8-0.8-103.8-38.1000111.6
434E28.1Very low28.7Very low173 Ų173146.6 Ų146.681%0.80876%0.757SS**  trans-144.3148.5175.2-161.3-170.9-178.600111.5
435S38.9Very low29.1Very low96 Ų96151.7 Ų151.767%0.67177%0.767SS**  trans68.2171.6173.8-54.50000114.2
436P39.8Very low29.5Very low134 Ų134152 Ų15287%0.8777%0.768SS**  -115.3157.252.739.2-33.6000114.9
437A31Very low29.6Very low80 Ų80146.4 Ų146.466%0.66176%0.764SS**  trans-118.4155.6170.700000112.8
438S33.8Very low29.7Very low106 Ų106145.8 Ų145.874%0.74177%0.765SS**  trans80.1-176.6154.381.80000120.2
439W26.5Very low29.8Very low197 Ų197148.9 Ų148.975%0.74677%0.77SS**  trans79133.9-174.6-59.662.4000117.4
440R31.1Very low29.9Very low184 Ų184146.8 Ų146.869%0.69478%0.778SS**  cis-151.9136.9-28.9-84-166-178.31504.5106.5
441L29.5Very low29.9Very low171 Ų171144.1 Ų144.190%0.89578%0.778SS**  78.5127.470.6-120.4178000116.1
442G27.9Very low29.7Very low63 Ų63144.3 Ų144.365%0.64979%0.791SS**  trans100144.1169.500000115.4
443L27Very low29.6Very low169 Ų169139.7 Ų139.789%0.88578%0.781SS**  cis-146.9167.1-2.2-84.3129.5000107.1
444R32Very low29.5Very low233 Ų233141 Ų14188%0.87978%0.783SS**  cis-151.2153.738.8-52.7171.4-171.9-136.5-2.2111.5
445K31.3Very low29.6Very low206 Ų206140 Ų14090%0.89678%0.781SS**  trans-138.8112157.7-171.8173.9-176.4177.70108.2
446T31.4Very low29Very low136 Ų136141.3 Ų141.383%0.83479%0.785SS**  trans-101.8123.9168.646.90000107.7
447G25.5Very low28.4Very low69 Ų69139.6 Ų139.671%0.71178%0.783SS**  trans-104.3179.2177.900000112.7
448S28Very low28.5Very low103 Ų103142 Ų14272%0.7279%0.789SS**  trans60.4110.9168.2-157.70000117.5
449Y26.3Very low28.4Very low239 Ų239144.9 Ų144.994%0.93779%0.788SS**  -157.3157104.4-88.8-77.1000105.4
450G28Very low28.6Very low64 Ų64143.3 Ų143.366%0.6679%0.789SS**  cis154.8124.23.400000106.6
451A28.5Very low28.6Very low102 Ų102138.2 Ų138.284%0.84379%0.787SS**  trans-78.1134.1-17500000111.6
452L26.3Very low28.7Very low178 Ų178137.7 Ų137.793%0.93278%0.779SS**  trans-143.6159.6154.5-88.7-173.3000110.1
453S24.5Very low28.8Very low83 Ų83143.4 Ų143.458%0.5878%0.781SS**  trans-125.5158.7-159.656.90000114
454E24.8Very low29.1Very low175 Ų175141 Ų14182%0.81877%0.765SS**  trans66.4-171.8152.4-68.9165.5131.400118.5
455I29.1Very low29.2Very low151 Ų151139 Ų13977%0.77476%0.763SS**  trans70.883-174.1-45.7177.2000113.3
456T26.3Very low29.3Very low125 Ų125135.2 Ų135.277%0.76775%0.753SS**  94.6136.25066.90000115.7
457A28.5Very low29.4Very low98 Ų98134.7 Ų134.781%0.8175%0.749SS**  trans68.9151.8169.200000117.3
458T32.2Very low29.8Very low129 Ų129137.9 Ų137.979%0.79176%0.756SS**  cis-133.9112.212.549.90000115.2
459K31Very low30.1Very low167 Ų167136 Ų13673%0.72675%0.752SS**  52.9118.6113.9-170.3160.7-175.4176.20123
460E30.5Very low30.5Very low165 Ų165131.4 Ų131.477%0.77175%0.749SS**  trans72.4152145.4-87.8163.2-15300122.5
461A32.2Very low30.8Very low77 Ų77135.6 Ų135.664%0.63675%0.753SS**  cis-148.9148.26.100000116.2
462Q31.8Very low31.1Very low160 Ų160140.9 Ų140.975%0.74875%0.751SS**  trans56.9152.2151.4-72.1-170.9-67.900121.3E464Q462-E464 PolarHBondContact NE2-OE1 2.78Å
463R30.3Very low31.7Very low183 Ų183138.1 Ų138.169%0.69175%0.747SS**  cis-148.6117.513-146.4175.1-175.4-62.4-21.7115.6
464E32.8Very low31.9Very low117 Ų117139.1 Ų139.155%0.54776%0.76SS.*  trans45.9117.1139.9-63.3154.3-125.600124.3Q462Q462-E464 PolarHBondContact NE2-OE1 2.78Å
465K34.6Very low32.2Very low191 Ų191136.7 Ų136.783%0.8376%0.762SS**  -177.4111.2110.9-98.7-175.3172.7-176.30116.3
466D31.9Very low32.4Very low128 Ų128135.1 Ų135.168%0.68477%0.765SS**  trans60.194.9134.2-45.9-19.8000124.9
467T35.1Very low33.2Very low124 Ų124134.6 Ų134.676%0.76176%0.763SS**  46.4149.1116.358.80000123.7
468T34.2Very low33.3Very low137 Ų137140.8 Ų140.884%0.8477%0.766SS**  cis-168.4177.8-2.419.50000112.9
469G32.9Very low33.1Very low63 Ų63141.1 Ų141.165%0.64976%0.762SS**  trans-89.2-176.5178.900000117.6
470V34.5Very low32.9Very low142 Ų142138.4 Ų138.486%0.86176%0.759SS**  cis92.5127.636.2171.70000112.2
471M34.9Very low32.8Very low152 Ų152135.9 Ų135.975%0.74976%0.76SS**  cis-166.6176.714.4-143.2-173.8-175.400114.8
472R34.5Very low32.5Very low213 Ų213137.3 Ų137.380%0.80477%0.766SS**  trans91.3116.5145.5-74.7162.4-173.7-146.3-0.7125.3
473S39.3Very low32.4Very low121 Ų121136.8 Ų136.885%0.84677%0.767SS**  50.6132.3118.2-48.60000125.7
474A28.2Very low32.3Very low103 Ų103133.8 Ų133.885%0.85177%0.765SS**  trans-162.9-179.7153.900000112.9
475S31.3Very low32.1Very low124 Ų124134.8 Ų134.887%0.86777%0.774SS**  trans-126.1176-160.5-43.60000116.5
476S33.7Very low31.8Very low118 Ų118133.5 Ų133.583%0.82577%0.768SS**  trans-79.8158-176-37.90000117.5
477P43.3Very low31.7Very low114 Ų114134 Ų13474%0.7477%0.766SS**  -132.7159.9122.138.3-27.6000111.8
478R29.7Very low31.5Very low229 Ų229135.4 Ų135.486%0.86476%0.762SS**  61129.858.7-87.9-170.8175.8178.6-0.5112.9
479L28.7Very low31.3Very low135 Ų135136 Ų13671%0.70776%0.755SS**  cis-158.2170.816.6-107.1-179.5000113.7
480T25.5Very low31.2Very low110 Ų110140.3 Ų140.368%0.67576%0.756SS**  trans60.7128.5147.8490000124.9
481S28.5Very low31.1Very low113 Ų113139.6 Ų139.679%0.7974%0.743SS**  trans65.2153.4138.168.70000120
482S26.8Very low31Very low107 Ų107139.7 Ų139.775%0.74874%0.74SS**  cis-146.4174.36.5-152.70000113.4
483L29Very low31Very low149 Ų149135.8 Ų135.878%0.7874%0.735SS**  trans-33.1156.4174.2-70.6161.5000120.4
484D27.9Very low30.8Very low120 Ų120139.7 Ų139.764%0.64274%0.736SS**  trans79.5102.2141.2-85.9-69.5000123.2
485N28.8Very low31Very low137 Ų137137.8 Ų137.873%0.73373%0.726SS**  75.7122116.2-104.8-44.2000123.2
486K29.3Very low31.3Very low164 Ų164138.3 Ų138.371%0.71373%0.725SS**  83137128.4-166.2168.7179.5177.10119.5
487E30.3Very low31.2Very low138 Ų138143 Ų14365%0.64572%0.724SS**  trans65.5151.4170.1-83179.2-115.700115.6
488K29.7Very low30.7Very low154 Ų154144.8 Ų144.867%0.6773%0.727SS**  cis-161.5173.4-19.5-140.7176.9-154.9141.90107.2
489E30.2Very low30.7Very low150 Ų150137.8 Ų137.870%0.70172%0.718SS**  trans56.5112.5156.5-72.4-155.5105.500119.2
490K31.7Very low30.6Very low154 Ų154141.8 Ų141.867%0.6773%0.725SS**  89.7117.182.9-169.3179.5179.6-179.40115.4
491E32.5Very low30.7Very low126 Ų126141.7 Ų141.759%0.58972%0.724SS**  trans69.2127.4150.6-72.3-174.395.900123.7
492K32.3Very low30.7Very low155 Ų155140.7 Ų140.767%0.67472%0.723SS**  trans75.1118.3131.8-73.9173.8174.9151.70121.9
493D33.5Very low32Very low130 Ų130141.4 Ų141.470%0.69573%0.725SS**  44.2114128-62.8-50.7000119.2
494K35.3Very low32.1Very low204 Ų204140.4 Ų140.489%0.88773%0.725SS**  -163.6154.6105.3-86.9136.5-150.4100.70109.3
495G32.3Very low32.4Very low62 Ų62142.1 Ų142.164%0.63973%0.733SS**  trans-144.1-166.6-178.900000114
496T37.6Very low33.2Very low136 Ų136141.3 Ų141.383%0.83474%0.735SS**  trans69.4123.7175.378.20000114.6
497R32.7Very low33.3Very low215 Ų215144.9 Ų144.981%0.81174%0.744SS**  173.4145.380-97.8175.4159.8173-5.6111.4
498L31.8Very low33.3Very low153 Ų153148.6 Ų148.680%0.80175%0.752SS**  trans59.2157.6135-59.7172.7000119.3
499A30.3Very low33.4Very low82 Ų82148.1 Ų148.168%0.67876%0.756SS**  cis-159.1145.8-6.800000112.9
500Y27.3Very low33.2Very low219 Ų219145.3 Ų145.386%0.85976%0.758SS**  53.4118.6127.8-133.6-121.8000123.3
501V26.4Very low33.3Very low107 Ų107143.5 Ų143.565%0.64877%0.765SS**  trans7894137.1167.30000121.5
502A28.3Very low33.2Very low92 Ų92142.9 Ų142.976%0.7677%0.77SS**  62.4153.2111.500000123.5
503P54.6Low33.2Very low122 Ų122140.2 Ų140.279%0.79277%0.771SS**  trans-124.5177-161.343.6-29.2000116
504T30.8Very low33.1Very low128 Ų128140.6 Ų140.679%0.78577%0.773SS**  trans-150.9129164.226.90000115.6
505I34.1Very low33.3Very low156 Ų156137.1 Ų137.180%0.876%0.763SS**  trans73.2128.4143.8-60.4168.7000119.8
506P46Very low33.4Very low120 Ų120140 Ų14078%0.77976%0.764SS**  trans-113176.2-176.843-36.5000115.8
507R31.3Very low33.4Very low239 Ų239140.2 Ų140.290%0.90276%0.755SS**  trans-149.3131163.6-77-165.5174.5121.1-0.8116.3
508R31.4Very low33.4Very low216 Ų216136.5 Ų136.582%0.81575%0.745SS**  trans64114137.3-73.2-168.6146.9-176.7-6.3124.7
509L29.9Very low33.6Very low145 Ų145135.9 Ų135.976%0.75974%0.738SS**  84.4137.5113.8-68.4176.4000124.9
510A26.6Very low33.6Very low90 Ų90137.5 Ų137.574%0.74474%0.735SS**  trans103.3111.3132.500000122.2
511S34Very low33.7Very low117 Ų117136.3 Ų136.382%0.81873%0.729SS**  57.1150.3121.8-122.80000120.9
512T31.5Very low33.8Very low112 Ų112136 Ų13669%0.68772%0.724SS**  cis-156.5175.336.550.80000114.9
513S30.9Very low34Very low100 Ų100136.3 Ų136.370%0.69972%0.721SS**  trans71.3149.1136.955.20000123.3
514D32.7Very low32.9Very low138 Ų138136.6 Ų136.674%0.73872%0.72SS**  cis-172.8169-33.9-136.7-33.2000112.5
515I38.9Very low32.8Very low131 Ų131134.3 Ų134.367%0.67271%0.714SS**  trans68149.9150.3-108.776000119.1
516D34.3Very low32.5Very low123 Ų123134.5 Ų134.566%0.65872%0.716SS**  cis-146.6151.65.6-128.5-30.9000117.6
517E37.2Very low31.6Very low140 Ų140135.4 Ų135.465%0.65471%0.713SS**  trans39.5143.6141.5-89.4-171164.900132.3
518K33.8Very low31.4Very low137 Ų137135.4 Ų135.460%0.59671%0.713SS**  trans9490.4131.2-83.2-168.5169.875.60125.9
519E35.6Very low31.2Very low140 Ų140130.6 Ų130.665%0.65471%0.712SS**  75109.599.4-78.2-154.598.600125.7
520N29.2Very low31Very low115 Ų115127.4 Ų127.462%0.61571%0.714SS**  99.815495.9-1537.5000122.4
521R30.2Very low31Very low194 Ų194128.9 Ų128.973%0.73272%0.719SS**  trans97.693.2157.5-51.8-147.184.1125.19.5122.1
522D28.2Very low30.5Very low100 Ų100132.9 Ų132.954%0.53572%0.718SS.*  85118.4110.6-66.5-2.3000124.1
523S33.8Very low30.3Very low100 Ų100132.1 Ų132.170%0.69971%0.713SS**  77.6150.8122.2-63.70000121.1
524T29.8Very low30.1Very low128 Ų128136.7 Ų136.779%0.78572%0.715SS**  cis-163167.9-7.617.30000112.8
525A29.2Very low29.8Very low79 Ų79139.7 Ų139.765%0.65372%0.716SS**  trans76.5106.8141.100000124.4
526L27.3Very low29.1Very low160 Ų160141.8 Ų141.884%0.83872%0.715SS**  76.1138.9113.6-71.8164.6000125.1
527I28.9Very low28.7Very low140 Ų140145 Ų14572%0.71872%0.719SS**  trans87.996.8141.8-72.1164.1000121.2
528R26.8Very low28.1Very low238 Ų238144 Ų14490%0.89872%0.718SS**  73.8151116.2-144.8172.8-163.9159.74121.3
529S27Very low27.9Very low115 Ų115144.4 Ų144.480%0.80473%0.727SS**  trans-69.3147.5-17354.40000116.8
530G25.1Very low27.7Very low78 Ų78143.7 Ų143.780%0.80473%0.727SS**  trans-164.5141.1160.100000111.5
531S26.8Very low27.8Very low121 Ų121144 Ų14485%0.84673%0.728SS**  trans-116.6166.9-179.3-65.90000111.7
532Y24.1Very low27.8Very low202 Ų202142.5 Ų142.579%0.79273%0.727SS**  trans95.986.2148.7-128-105.8000120.8
533T26.9Very low27.9Very low96 Ų96144.6 Ų144.659%0.58974%0.738SS**  trans77.6147.7130.969.50000124.4
534R26.5Very low27.7Very low195 Ų195144.6 Ų144.674%0.73674%0.738SS**  trans95.5131.2130.9-99-177.9-151-1037.6121
535R26.5Very low27.6Very low202 Ų202147.4 Ų147.476%0.76274%0.743SS**  trans76.8149.4151-66179.3-72.6-1540.3115.6
536R23.9Very low27.8Very low174 Ų174146.7 Ų146.766%0.65774%0.742SS**  cis-160170.8-2-131.6-174.7-169-663.6111.2
537W25.1Very low27.9Very low191 Ų191144.3 Ų144.372%0.72374%0.739SS**  trans75.4122.9153.2-69.7-34.1000116.8
538D25.5Very low27.9Very low120 Ų120142.5 Ų142.564%0.64274%0.739SS**  92.8149.472.1-68.57.9000109.3
539D29.3Very low28.2Very low145 Ų145135.2 Ų135.278%0.77572%0.724SS**  cis-163.6172.1-5.7-11310.7000106.7
540D31.3Very low28.4Very low125 Ų125133 Ų13367%0.66871%0.706SS**  cis-160.7-170.5-2.4167.839.1000106.3
541L31.2Very low28.6Very low121 Ų121133.1 Ų133.163%0.63469%0.689SS**  trans86128.2162-52.4175.4000117.2
542K31.5Very low28.6Very low163 Ų163133.6 Ų133.671%0.70967%0.672SS**  cis-162.8138-9.4-141.5174.3-162.2165.30112.5
543N30.5Very low28.8Very low143 Ų143129 Ų12977%0.76567%0.665SS**  trans41.8150.8152.3-61.923.4000121.1
544S27.9Very low28.7Very low101 Ų101129.8 Ų129.871%0.70667%0.674SS**  cis-146.1156.812.6-148.50000113.9
545E28.2Very low28.9Very low187 Ų187125.2 Ų125.287%0.87467%0.672SS**  trans-33.9158.8173.3-58.3169.1-175.900118.8
546G32.8Very low28.8Very low63 Ų63126 Ų12665%0.64968%0.677SS**  cis163156.2-6.400000116.2
547S31.3Very low28.8Very low111 Ų111125.3 Ų125.378%0.77668%0.681SS**  trans54.3103.7136.9-54.80000120.1
548S27.9Very low28.6Very low102 Ų102126.5 Ų126.571%0.71369%0.685SS**  81.5134.871.673.80000115.4
549S33.1Very low28.6Very low84 Ų84124.2 Ų124.259%0.58768%0.679SS**  cis-175.4158.7-8.6430000110.5
550T30.5Very low28.4Very low69 Ų69122.8 Ų122.842%0.42368%0.675SS.*  trans119.3-158.3138.678.80000130.5L711 T712T550-L711 HydrophobicContact CG2-CB 3.84Å; T550-L711 WeakPolarHBondContact OG1-CB 3.45Å; T550-L711 WeakPolarHBondContact OG1-CD2 3.49Å; T550-L711 WeakPolarHBondContact OG1-CG 3.42Å; T550-T712 WeakPolarHBondContact CA-OG1 3.19Å; T550-T712 VanDerWaalsContact CB-N 3.31Å; T550-T712 WeakPolarHBondContact CB-OG1 3.1Å; T550-T712 VanDerWaalsContact CG2-N 3.32Å; T550-T712 WeakPolarHBondContact CG2-O 3.44Å
551N29.2Very low28.2Very low81 Ų81121.7 Ų121.743%0.43368%0.677SS.*  trans176.2172.6-133.6154.474000119L711 T712N551-L711 WeakPolarHBondContact O-CA 3.36Å; N551-L711 WeakPolarHBondContact O-CB 3.35Å; N551-L711 WeakPolarHBondContact O-CD2 3.3Å; N551-L711 WeakPolarHBondContact O-CG 3.26Å; N551-T712 HydrophobicContact CB-CG2 3.91Å; N551-T712 VanDerWaalsContact CB-OG1 3.25Å; N551-T712 WeakPolarHBondContact CB-OG1 3.31Å; N551-T712 WeakPolarHBondContact ND2-CG2 3.34Å; N551-T712 PolarHBondContact ND2-N 2.89Å
552R27.5Very low28Very low130 Ų130124.5 Ų124.549%0.49169%0.687SS.*  trans-169.6136.8142.5-156.3-166.9-129-175.1-9.1115.2T708 A710R552-T708 PolarHBondContact NH1-O 3.06Å; R552-A710 WeakPolarHBondContact CD-O 3.49Å; R552-A710 WeakPolarHBondContact CG-O 3.47Å; R552-A710 PolarHBondContact NE-O 2.97Å
553T28.1Very low27.9Very low107 Ų107122.1 Ų122.166%0.65669%0.686SS**  trans42.1119.9154.451.60000124
554S26.1Very low27.7Very low111 Ų111122.9 Ų122.978%0.77669%0.689SS**  67.9112.8122.2-1560000122
555S30.2Very low27.7Very low99 Ų99122.4 Ų122.469%0.69269%0.692SS**  155.6155.696.361.60000115.5
556Y24.3Very low27.8Very low219 Ų219122.3 Ų122.386%0.85970%0.696SS**  trans63.4147.9151.1-95.5-70.8000124.7
557Q22.8Very low27.4Very low160 Ų160122.7 Ų122.775%0.74870%0.7SS**  trans69.3109.1155-68.1-152.5-5.300123.4
558R22.8Very low27.2Very low215 Ų215129.2 Ų129.281%0.81171%0.707SS**  63.1136.9103.8-148.5-169.6-162.4-1099.5120.7
559S25Very low27.2Very low72 Ų72130.6 Ų130.650%0.50372%0.717SS.*  trans96.2107.1138.9-1200000121.1
560T25.4Very low26.8Very low115 Ų115129.9 Ų129.971%0.70672%0.723SS**  54.2129.7121.258.20000122.9
561S26.4Very low26.6Very low102 Ų102131.5 Ų131.571%0.71374%0.737SS**  trans77.4122.2143.8-56.20000119.9
562H26.9Very low26.6Very low180 Ų180133.6 Ų133.683%0.83375%0.753SS**  -158.1174.694.4-118-84.3000113.7
563T28.7Very low26.7Very low113 Ų113137.2 Ų137.269%0.69377%0.767SS**  trans-112.1-167.6-171.850.20000112.3
564L28Very low26.7Very low159 Ų159138 Ų13883%0.83277%0.767SS**  trans85115.8-179.3-48.2178.8000113.2
565A27.8Very low27Very low91 Ų91139 Ų13975%0.75277%0.768SS**  cis87.1107.324.500000116
566L28.7Very low27.6Very low186 Ų186140.2 Ų140.297%0.97477%0.773SS**  trans-147.3162.3157.6-84.9180000108.3
567G24.1Very low27.7Very low70 Ų70134 Ų13472%0.72277%0.767SS**  trans176.6-162.1177.600000114.1
568R28.9Very low27.8Very low248 Ų248135.8 Ų135.894%0.93677%0.773SS**  trans68.7122178.1-86.1-176157.9-156.4-4.5118.8
569S26.6Very low27.9Very low132 Ų132130.3 Ų130.392%0.92377%0.767SS**  -170.9150.1125.5-770000108.8
570G26.1Very low28Very low69 Ų69132.2 Ų132.271%0.71178%0.78SS**  cis155.1133.6-10.200000113.2
571S25.7Very low28.1Very low102 Ų102131.9 Ų131.971%0.71378%0.783SS**  trans69.2132.3179.1-141.30000116.1
572T29.1Very low28.1Very low125 Ų125133.1 Ų133.177%0.76779%0.786SS**  cis85.5152.28.886.30000119.1
573R30Very low28.1Very low206 Ų206129.3 Ų129.378%0.77778%0.78SS**  trans98.9142.3173.2-55.4-171.394.8113.215.1116.1
574D27Very low27.9Very low125 Ų125129.1 Ų129.167%0.66878%0.783SS**  cis-155.1171.2-8.9-104.4-17.3000111
575V31.8Very low27.9Very low132 Ų132129.7 Ų129.780%0.879%0.786SS**  trans-131.6159174.9-153.80000109.4
576P43.2Very low27.9Very low123 Ų123132.5 Ų132.580%0.79979%0.789SS**  -153.9133.1112.335.3-16000118.5
577A27.5Very low28.7Very low88 Ų88128.7 Ų128.773%0.72778%0.775SS**  trans28.2137.1138.500000124.2
578K23.7Very low28.9Very low199 Ų199132.2 Ų132.287%0.86578%0.777SS**  -170.8118.7115.6-106.4170-177.4178.70116.8
579S26.3Very low28.9Very low100 Ų100126 Ų12670%0.69977%0.767SS**  trans41.4144.5135.560.40000125.6
580S27Very low28.9Very low111 Ų111125.1 Ų125.178%0.77676%0.759SS**  trans85.7115.3140.846.20000123.1
581S27.5Very low28.8Very low108 Ų108128.5 Ų128.576%0.75576%0.761SS**  trans-26.7156154.1-35.60000119.8
582T26.3Very low29.1Very low128 Ų128129.5 Ų129.579%0.78576%0.764SS**  175.4140.396.742.80000115.4
583S27.4Very low28.9Very low100 Ų100133 Ų13370%0.69977%0.768SS**  trans47120.5143.465.50000124.6
584S24.3Very low29.3Very low109 Ų109128.3 Ų128.376%0.76276%0.764SS**  43131.3119-41.30000122.9
585L27.3Very low29.2Very low171 Ų171134 Ų13490%0.89578%0.777SS**  168.1136.2109-89.5170.3000113.6
586D27.3Very low28.9Very low151 Ų151136 Ų13681%0.80778%0.777SS**  trans-81.6179.1157.7-60.4-74.1000110.6
587P45.6Very low28.7Very low105 Ų105135.4 Ų135.468%0.68277%0.773SS**  cis-140.6178.52.941.1-22.1000117.5
588N28.7Very low28.8Very low144 Ų144137.4 Ų137.477%0.7778%0.779SS**  trans80.6143136.5-90.9-25.4000125.7
589T27.8Very low28.8Very low117 Ų117133.3 Ų133.372%0.71878%0.775SS**  trans87.7113.3147.147.50000123.8
590C26.6Very low29Very low114 Ų114133.1 Ų133.177%0.7777%0.774SS**  trans72.9148.3141.1-60.10000118.8
591N25.9Very low29Very low140 Ų140137 Ų13775%0.74978%0.78SS**  cis-155.9179.75.7-144.3-21.9000113.5
592T30Very low29Very low124 Ų124142.5 Ų142.576%0.76179%0.785SS**  trans67112.3157.949.90000121.7
593K26.6Very low29.2Very low198 Ų198141.6 Ų141.686%0.86178%0.782SS**  trans-72.1169.5140.5-76.2-179.7178.8178.70109.2
594P38.5Very low29.2Very low108 Ų108142.4 Ų142.470%0.70179%0.787SS**  cis-146.5-164.93036.5-11.3000117.6
595W23.7Very low29.4Very low244 Ų244147.1 Ų147.192%0.92479%0.79SS**  trans100.5141.7171.1-6790000118.8
596Q26.6Very low29.3Very low175 Ų175144 Ų14482%0.81878%0.782SS**  trans-124.7-176.8179.7-64.5-174.5-15.600108.9
597P38.6Very low29.6Very low109 Ų109143.1 Ų143.171%0.70878%0.776SS**  cis-120.1-172.7-22.318.85.1000111.4
598P28.5Very low28.8Very low130 Ų130148.1 Ų148.184%0.84478%0.783SS**  -131171.8118.538.2-32.1000114.3
599S24.9Very low28.6Very low114 Ų114152.1 Ų152.180%0.79779%0.787SS**  trans-69.5156.4-167.6-165.20000115.6
600S29.1Very low28.7Very low96 Ų96152 Ų15267%0.67179%0.791SS**  trans-46.7138.9171.748.80000116.4
601H27.9Very low28.7Very low193 Ų193150.2 Ų150.289%0.89479%0.792SS**  trans-150.3103.3140.9-111.759.8000108.5
602Y26.7Very low28.9Very low223 Ų223149.6 Ų149.688%0.87580%0.799SS**PPolyproline II helixtrans-96.8133.2172.3-127.6-101000108.9
603P31.7Very low28.8Very low109 Ų109153.1 Ų153.171%0.70880%0.804SS**PPolyproline II helixtrans-73.3143.5-177.229.8-34.5000111.7
604S26.1Very low28.8Very low117 Ų117147.3 Ų147.382%0.81880%0.8SS**PPolyproline II helixtrans-73.5142.5179.7-49.30000112.4
605Y28.4Very low28.4Very low207 Ų207153.6 Ų153.681%0.81281%0.81SS**PPolyproline II helixtrans-71.8134.4170.7-96.4-104.5000111.5I607Y605-I607 HydrophobicContact CD1-CD1 4.16Å; Y605-I607 HydrophobicContact CE1-CD1 4.47Å
606S27Very low28.5Very low106 Ų106154 Ų15474%0.74181%0.811SS**  trans-154.5127.1168.167.50000110.4
607I32.4Very low28.5Very low132 Ų132152.9 Ų152.968%0.67781%0.806SS**  trans-141.7126.2-170.4-71.3176000107Y605Y605-I607 HydrophobicContact CD1-CD1 4.16Å; Y605-I607 HydrophobicContact CE1-CD1 4.47Å
608Y29.6Very low27.9Very low210 Ų210155 Ų15582%0.82481%0.806SS**  cis-156.7145-16.4-107.4-51000107.8
609R25Very low27.9Very low228 Ų228154 Ų15486%0.8679%0.794SS**  trans-156.393155.9-167.9165.1-84.6-108.32.1115.5
610S28.9Very low28.1Very low115 Ų115155.8 Ų155.880%0.80479%0.793SS**  trans53.6132132.4-44.90000122.7
611G27.1Very low27.9Very low77 Ų77156.3 Ų156.379%0.79480%0.797SS**  trans-141.8156.8145.700000109.6
612S29.6Very low28Very low126 Ų126152.3 Ų152.388%0.88179%0.791SS**  cis-153.1159.61.1-169.20000111.6
613F27.4Very low28Very low198 Ų198147.7 Ų147.787%0.86879%0.791SS**  trans-89.6134.5176.6-107.5-85.7000111.9
614G26.3Very low27.8Very low76 Ų76148.3 Ų148.378%0.78479%0.793SS**  trans-91.8109.5171.800000113.4
615R30.4Very low27.8Very low241 Ų241148.7 Ų148.791%0.90979%0.791SS**  trans-135.9168.1160.1-78.9-164.7177.5-103.5-2.2111.2
616R27.5Very low27.8Very low252 Ų252144.5 Ų144.595%0.95179%0.792SS**  trans-105.7175.3-161.4-67.7177.8175.2-113.1-0.8113.3
617H25.1Very low28Very low152 Ų152144.9 Ų144.970%0.70480%0.795SS**  trans-75.3-168.1-168.2-162.8-105.6000115
618E27.6Very low27.8Very low153 Ų153144.9 Ų144.972%0.71580%0.801SS**  trans78.3134.4175.5-37.8-69.5104.600115.1
619D27.4Very low27.7Very low109 Ų109140.1 Ų140.158%0.58379%0.794SS**  cis-167.4157.4-16.8-136.918.5000113.2
620L30.1Very low28Very low151 Ų151135 Ų13579%0.79179%0.788SS**  trans62.4152.3153.3-65.5166.7000120.7
621S25Very low28Very low108 Ų108135.5 Ų135.576%0.75579%0.786SS**  cis-155.9156.1-4.150.40000115.6
622S29.2Very low28.3Very low108 Ų108137.6 Ų137.676%0.75578%0.784SS**  trans-14144.7166.4-46.40000124.3
623S26.3Very low28.2Very low126 Ų126136.7 Ų136.788%0.88178%0.777SS**  -167.9168.6119.8-820000112.7
624T26.8Very low28.7Very low122 Ų122132.1 Ų132.175%0.74877%0.77SS**  trans-147.9167.5-152-37.40000114.7
625T26.4Very low29.1Very low125 Ų125133.6 Ų133.677%0.76777%0.768SS**  trans78.3152163.470.50000118.5
626S28.8Very low29.2Very low119 Ų119128.2 Ų128.283%0.83276%0.762SS**  cis-165172.9-20.9-95.20000111.1
627S30.9Very low29.5Very low115 Ų115122.4 Ų122.480%0.80476%0.755SS**  trans-122.5168.3-166.850.30000116.7
628T27.9Very low29.9Very low131 Ų131120.4 Ų120.480%0.80476%0.758SS**  trans-164.1159.818047.50000109.2
629T29Very low31.6Very low111 Ų111118.8 Ų118.868%0.68176%0.761SS**  cis-170.8118.3-15.430.10000105.2
630T29.8Very low31.9Very low119 Ų119119 Ų11973%0.7377%0.766SS**  80.4151.268.759.50000117.5
631T29.9Very low31.9Very low126 Ų126114.5 Ų114.577%0.77376%0.757SS**  trans100.8140161.370.90000118.9
632T32.3Very low32.3Very low121 Ų121117.7 Ų117.774%0.74276%0.759SS**  cis-167.6170.4-15270000113.7
633S29.4Very low32.5Very low107 Ų107124.1 Ų124.175%0.74877%0.767SS**  trans79.7146.1147.430.40000121.4
634S36Very low32.7Very low102 Ų102121.4 Ų121.471%0.71376%0.759SS**  cis-177.9161.6-17.849.50000113.9
635S35.8Very low32.8Very low107 Ų107122.8 Ų122.875%0.74876%0.761SS**  trans79.8136.9156.9-580000117.8
636V32.6Very low32.9Very low129 Ų129124.2 Ų124.278%0.78276%0.763SS**  cis-148.5-171.30.2-106.10000108.3
637T32.5Very low32.9Very low129 Ų129123 Ų12379%0.79175%0.754SS**  cis-156.1-149.127.6-30.50000112.1
638S33.6Very low32.8Very low111 Ų111122.4 Ų122.478%0.77675%0.75SS**  trans-154.7174.6-161.8-71.60000112
639P63.2Low32.9Very low118 Ų118124.5 Ų124.577%0.76676%0.756SS**  cis-119.1-169.63.142.8-28.6000112.8
640T34.9Very low32.7Very low113 Ų113122.9 Ų122.969%0.69376%0.761SS**  cis-138.1-1608.9-19.30000108.4H642T640-H642 WeakPolarHBondContact CG2-NE2 3.2Å
641G30.5Very low32.6Very low58 Ų58122.8 Ų122.860%0.59877%0.766SS**  cis96.213516.500000112.3
642H33.3Very low32.4Very low175 Ų175122 Ų12281%0.8177%0.765SS**  cis-150.6-176.63.7-68.8-68.5000108.7T640T640-H642 WeakPolarHBondContact CG2-NE2 3.2Å
643R32.1Very low32.1Very low242 Ų242120.9 Ų120.991%0.91376%0.762SS**  cis-149.2-42.116.8-164.6177.5-176.8-166.52.2116.7
644G30.1Very low32Very low70 Ų70121.4 Ų121.472%0.72276%0.761SS**  trans155.2-173.5-178.600000115.2
645L29.1Very low31.6Very low151 Ų151127.1 Ų127.179%0.79177%0.767SS**  cis-152.7143.410.2-79.6175.9000112.7
646L28.7Very low31.1Very low155 Ų155127.9 Ų127.981%0.81277%0.767SS**  trans58.1157.6144.5-58.9169.8000120.9
647S29Very low30.8Very low92 Ų92125.3 Ų125.364%0.64377%0.767SS**  cis-173.4139.8-33.356.10000112.7
648S29.2Very low30.4Very low103 Ų103124.2 Ų124.272%0.7276%0.764SS**  trans56.2131144.1-73.90000125.1
649L29.1Very low30.1Very low176 Ų176124.6 Ų124.692%0.92176%0.762SS**  trans67.9144.5134.3-63.1167.5000121.4
650G26.3Very low28.3Very low77 Ų77124 Ų12479%0.79476%0.761SS**  trans161100.9162.200000115.2
651S27.5Very low27.8Very low117 Ų117126 Ų12682%0.81877%0.766SS**  trans-112.1163.3174-62.40000112.3
652S26Very low27.5Very low109 Ų109129.4 Ų129.476%0.76278%0.776SS**  trans91.8127.9144.981.70000122.3
653S25.4Very low27.2Very low98 Ų98125.1 Ų125.169%0.68577%0.766SS**  82.695.2123.2-68.30000124.9
654T27.8Very low27.2Very low118 Ų118124.1 Ų124.172%0.72476%0.762SS**  53.9152.611367.80000124.7
655R26.8Very low27Very low221 Ų221129.7 Ų129.783%0.83476%0.763SS**  trans81.4157.1166.4-61.7158.661.6-117.14.8114.3
656T26.2Very low26.7Very low123 Ų123131.5 Ų131.576%0.75576%0.759SS**  cis-147.8161.228.751.80000115.3
657G25.2Very low26.8Very low75 Ų75129 Ų12977%0.77376%0.755SS**  trans92.6124.2159.300000114.9
658S24.8Very low26.6Very low106 Ų106132.3 Ų132.374%0.74176%0.76SS**  cis102.110511.2-155.80000116.8
659T26.4Very low26.4Very low120 Ų120135 Ų13574%0.73676%0.761SS**  trans62113.9139.654.80000121.8
660S25.4Very low26.2Very low104 Ų104131.7 Ų131.773%0.72775%0.753SS**  144125.9109-810000118.7
661L25.6Very low26.5Very low155 Ų155132.6 Ų132.681%0.81275%0.753SS**  trans72.6132.2134-61.6171.3000124.6
662T23.9Very low26.6Very low130 Ų130134.2 Ų134.280%0.79875%0.747SS**  trans79.3114.5142.133.50000125
663S27.6Very low26.5Very low86 Ų86137.2 Ų137.260%0.60174%0.742SS**  82.1103.8115.2-176.50000123.7
664R31.9Very low26.7Very low220 Ų220139 Ų13983%0.8374%0.739SS**  trans66.7169.6146.8-50.6175.1-163.9-164.84.2115.6
665Y24.8Very low26.6Very low188 Ų188141 Ų14174%0.73774%0.738SS**  cis-155.3174.36.5-151.9-164.3000112.9
666W22.8Very low26.6Very low189 Ų189136 Ų13672%0.71672%0.724SS**  trans85.5160.3160.8-87.531.7000122.3
667S30.7Very low26.7Very low103 Ų103137.5 Ų137.572%0.7272%0.72SS**  trans-161.5172.8-148.6-47.80000110.6
668E26.1Very low26.8Very low160 Ų160141.1 Ų141.175%0.74872%0.717SS**  trans166153.3147.9-95.6159.9-168.200109.6
669E24.8Very low27.1Very low161 Ų161143.8 Ų143.875%0.75272%0.715SS**  cis-160.4165.8-8.7-178.2170171.200111
670S24.7Very low27.2Very low106 Ų106143.8 Ų143.874%0.74171%0.711SS**  trans70.5127171.1-650000117.9
671A33.1Very low27.3Very low96 Ų96144.4 Ų144.479%0.79372%0.715SS**  cis82.614423.100000115.7
672E27.9Very low27.4Very low150 Ų150141.7 Ų141.770%0.70172%0.715SS**  cis-112.9-142.9-0.1-61.7-173.3-8000111.7
673R25.7Very low27.6Very low172 Ų172140 Ų14065%0.64971%0.714SS**  cis-153.2-145.9-0.4-145.7161.3-151.5-48.7-40.7115.3
674E28Very low27.7Very low135 Ų135141.6 Ų141.663%0.63172%0.72SS**  trans-136.6150.6-158-53.9174.4117.700114.4
675K26.5Very low27.5Very low161 Ų161137.9 Ų137.970%0.772%0.715SS**  164.3139.4108.1-93.2-156.9167.8-153.30118.4
676E27.3Very low28.7Very low117 Ų117134.1 Ų134.155%0.54771%0.714SS.*  trans54.4126.8138.4-68.6-171-125.800126.8
677K28.3Very low29.2Very low154 Ų154130.9 Ų130.967%0.6772%0.715SS**  91122.9125-82.5-174.3178.1135.30126.7
678E27.5Very low29.5Very low150 Ų150133.1 Ų133.170%0.70172%0.717SS**  47.2113120.5-67.3-175.4113.500125.1
679K30.1Very low29.8Very low163 Ų163131.8 Ų131.871%0.70972%0.715SS**  58.6136.8104.3-97.5171.4151.3-89.80125
680D27.6Very low30.2Very low120 Ų120130.2 Ų130.264%0.64272%0.717SS**  trans85.7146.5136-67.5-24.8000124.3
681S27.6Very low30.5Very low117 Ų117128.5 Ų128.582%0.81872%0.716SS**  trans71.4136.8167.4-51.50000119
682A27.7Very low30.4Very low97 Ų97129.5 Ų129.580%0.80272%0.717SS**  cis103.9148.16.400000118
683A29.3Very low30.4Very low96 Ų96127.3 Ų127.379%0.79371%0.714SS**  trans81.1155.7163.600000117.8
684V29.4Very low30.6Very low119 Ų119125.2 Ų125.272%0.72172%0.721SS**  cis-171.7135-10.3110.20000114.2
685I27Very low30.5Very low142 Ų142124.1 Ų124.173%0.72872%0.724SS**  trans58.5170.5136.7-71.5172.8000119.5
686P50.5Low30.5Very low109 Ų109122 Ų12271%0.70872%0.724SS**  cis-128.3142.4020.74.4000120.5
687T32.3Very low30.4Very low120 Ų120122.1 Ų122.174%0.73673%0.733SS**  44.5129107-40.60000125.7
688I37.9Very low30.3Very low151 Ų151119.6 Ų119.677%0.77474%0.735SS**  trans-169167140.437.9170000107.5
689N32.8Very low30.4Very low131 Ų131118 Ų11870%0.70174%0.735SS**  cis-171.3164.7-21.6-95.91.6000106.7
690T33.5Very low30.3Very low128 Ų128115.8 Ų115.879%0.78574%0.736SS**  cis-169.5151.5-14.427.80000109.9
691G30Very low30.4Very low71 Ų71115.6 Ų115.673%0.73274%0.739SS**  trans94.5149.3168.900000115.7
692S31.4Very low30.4Very low116 Ų116115.6 Ų115.681%0.81173%0.734SS**  cis-170.1165.5-1.6-99.70000110.9
693T28.8Very low30.4Very low105 Ų105116.9 Ų116.964%0.64473%0.732SS**  cis-174124.9-22.7-890000110.4
694T28.7Very low30.3Very low127 Ų127116.1 Ų116.178%0.77973%0.726SS**  trans64.6162.3164.160.10000119.6
695T27.3Very low30.4Very low113 Ų113117.8 Ų117.869%0.69373%0.729SS**  cis-152.8158.59.1-18.50000112.2
696T25Very low30.3Very low117 Ų117115.4 Ų115.472%0.71873%0.725SS**  trans22.1144.7147.151.60000122.2
697T26.2Very low29Very low118 Ų118115.9 Ų115.972%0.72473%0.726SS**  cis-164.3152.220.3-8.20000113.9
698S26.5Very low28.7Very low101 Ų101114.8 Ų114.871%0.70672%0.72SS**  trans73149138.976.50000123.1
699T28.5Very low28.2Very low117 Ų117112 Ų11272%0.71871%0.71SS**  trans96.193.9147.4-40.60000119.2
700T29.1Very low28Very low117 Ų117108 Ų10872%0.71870%0.695SS**  22.5140.9117.916.40000119.1
701T29.6Very low27.9Very low115 Ų115106.6 Ų106.671%0.70668%0.682SS**  cis-162.4-175.47.3-19.40000111.4
702T26.1Very low27.9Very low117 Ų117106.7 Ų106.772%0.71867%0.668SS**  trans-10.5147.3149.649.20000117.4
703T28.9Very low28Very low125 Ų125104.7 Ų104.777%0.76767%0.666SS**  -154.9160.562.6-53.80000114.2
704A27.1Very low28Very low80 Ų80107.7 Ų107.766%0.66168%0.677SS**  trans-62.2-177169.500000111.6
705I31Very low28.1Very low154 Ų154104.9 Ų104.979%0.7967%0.673SS**  -143.9144.251.5-67.7172.5000112.6
706S24.8Very low28.3Very low92 Ų92106.6 Ų106.664%0.64368%0.684SS**  trans-34.8167.9165.4-43.20000120.1
707T24.3Very low29Very low119 Ų119104.4 Ų104.473%0.7368%0.684SS**  trans83.7139.1137.535.30000123.5
708T25.8Very low29.5Very low97 Ų97104.9 Ų104.960%0.59569%0.689SS**  trans75.9123.6144.646.10000122R552R552-T708 PolarHBondContact NH1-O 3.06Å
709T27.4Very low30.3Very low92 Ų92109.2 Ų109.256%0.56470%0.699SS**  35.6112.4111.9-35.20000119.5L711T709-L711 HydrophobicContact CG2-CD1 4.42Å; T709-L711 HydrophobicContact CG2-CD2 3.88Å; T709-L711 HydrophobicContact CG2-CG 4.07Å
710A27.8Very low30.6Very low48 Ų48114.6 Ų114.640%0.39771%0.706SS.*  trans-174.9136.3153.700000108.1R552R552-A710 WeakPolarHBondContact CD-O 3.49Å; R552-A710 WeakPolarHBondContact CG-O 3.47Å; R552-A710 PolarHBondContact NE-O 2.97Å
711L31Very low30.9Very low97 Ų97120.3 Ų120.351%0.50871%0.714SS.*  -117.7177.2-125.2-51.9108000116.5T550 N551 T709 G713T550-L711 HydrophobicContact CG2-CB 3.84Å; T550-L711 WeakPolarHBondContact OG1-CB 3.45Å; T550-L711 WeakPolarHBondContact OG1-CD2 3.49Å; T550-L711 WeakPolarHBondContact OG1-CG 3.42Å; N551-L711 WeakPolarHBondContact O-CA 3.36Å; N551-L711 WeakPolarHBondContact O-CB 3.35Å; N551-L711 WeakPolarHBondContact O-CD2 3.3Å; N551-L711 WeakPolarHBondContact O-CG 3.26Å; T709-L711 HydrophobicContact CG2-CD1 4.42Å; T709-L711 HydrophobicContact CG2-CD2 3.88Å; T709-L711 HydrophobicContact CG2-CG 4.07Å; L711-G713 PolarHBondContact O-N 3.34Å
712T31Very low31.2Very low73 Ų73126.9 Ų126.945%0.44873%0.726SS.*  trans-52.2123.2-166.620.40000116.2T550 N551T550-T712 WeakPolarHBondContact CA-OG1 3.19Å; T550-T712 VanDerWaalsContact CB-N 3.31Å; T550-T712 WeakPolarHBondContact CB-OG1 3.1Å; T550-T712 VanDerWaalsContact CG2-N 3.32Å; T550-T712 WeakPolarHBondContact CG2-O 3.44Å; N551-T712 HydrophobicContact CB-CG2 3.91Å; N551-T712 VanDerWaalsContact CB-OG1 3.25Å; N551-T712 WeakPolarHBondContact CB-OG1 3.31Å; N551-T712 WeakPolarHBondContact ND2-CG2 3.34Å; N551-T712 PolarHBondContact ND2-N 2.89Å
713G32Very low31.7Very low74 Ų74126.1 Ų126.176%0.76373%0.725SS**  trans-77.6125.116000000112.8L711L711-G713 PolarHBondContact O-N 3.34Å
714I30.5Very low32.2Very low168 Ų168131.4 Ų131.486%0.86273%0.733SS**  trans-36.2152.2152.9-60.1149.8000112.9
715G30.3Very low32.9Very low69 Ų69134.8 Ų134.871%0.71174%0.739SS**  trans151.2105.9152.500000116.6
716T31.8Very low33.5Very low149 Ų149133.3 Ų133.391%0.91474%0.737SS**  trans-69.6136.3172.246.80000113.7
717G39.3Very low34.8Very low71 Ų71134.8 Ų134.873%0.73275%0.745SS**  trans85.4172.5168.200000115.6
718P37.8Very low36.1Very low127 Ų127135.5 Ų135.583%0.82575%0.749SS**  cis-120.9168.410.641.5-30.1000114.9
719E42Very low37.4Very low193 Ų193138.4 Ų138.490%0.90275%0.749SS**  trans-93.4113.9170.3-174.5167.2-140.600111.2
720R34.8Very low39.1Very low229 Ų229139.6 Ų139.686%0.86475%0.752SS**  trans-152.2104.9168.6-125.7176.8-155.2-114.91.3115.5
721R36.8Very low40.8Very low238 Ų238144.6 Ų144.690%0.89877%0.767SS**  trans17.2110.3137-60175.2179.9-105.3-2.3116.3S723R721-S723 PolarHBondContact O-N 2.96Å
722R35.5Very low42.4Very low252 Ų252146.4 Ų146.495%0.95177%0.773SS**PPolyproline II helixtrans-70.3122.9155.6-83.8-177.3163.6-174.9-5.7109.5
723S35.8Very low44Very low101 Ų101145 Ų14571%0.70677%0.766SS**PPolyproline II helixtrans-77.6134.1166.950.60000110.4R721 L725R721-S723 PolarHBondContact O-N 2.96Å; S723-L725 PolarHBondContact O-N 3.32Å
724Y40.4Very low45.7Very low237 Ų237145.1 Ų145.193%0.92975%0.747SS**PPolyproline II helixtrans-66.4121163.8-91.1-99.3000109.2
725L41.9Very low47.5Very low151 Ų151140.3 Ų140.379%0.79173%0.728SS**PPolyproline II helixtrans-91.2118.8165.4-143.777.5000107.2S723S723-L725 PolarHBondContact O-N 3.32Å
726T42.1Very low49.5Very low122 Ų122142.1 Ų142.175%0.74872%0.718SS**PPolyproline II helixtrans-64133.7168.345.70000108.9V728T726-V728 PolarHBondContact O-N 2.85Å
727P52Low51.4Low123 Ų123143.2 Ų143.280%0.79971%0.705SS**PPolyproline II helixtrans-52.4135175.2-27.535.3000111.4R729P727-R729 PolarHBondContact O-N 3.49Å
728V53Low53.4Low135 Ų135145.9 Ų145.982%0.81870%0.696SS**PPolyproline II helixtrans-59.8130.3172.1179.20000107.6T726T726-V728 PolarHBondContact O-N 2.85Å
729R53.4Low55.1Low158 Ų158142.3 Ų142.360%0.59668%0.678SS**PPolyproline II helixtrans-96.8122.3-173.7-173.7-177.6-166.281.4-8.9108.6P727 E731P727-R729 PolarHBondContact O-N 3.49Å; R729-E731 PolarHBondContact O-N 3.18Å; R729-E731 VanDerWaalsContact O-N 3.11Å
730D61.2Low56.4Low116 Ų116142.3 Ų142.362%0.6267%0.67SS**PPolyproline II helixtrans-61.5116.1-174.7-54.4-59000111.3E732 S733 E734D730-E732 PolarHBondContact O-N 2.89Å; D730-S733 WeakPolarHBondContact O-CA 3.37Å; D730-S733 WeakPolarHBondContact O-CB 3.37Å; D730-S733 PolarHBondContact O-N 3.44Å; D730-S733 PolarHBondContact O-OG 3.34Å; D730-E734 PolarHBondContact O-N 3.44Å
731E63.6Low58.1Low153 Ų153134.2 Ų134.272%0.71565%0.648SS**Hα-helixtrans-53.4-34.1177.9-82.8-72.9137.300112.1R729 S733 E734 S735R729-E731 PolarHBondContact O-N 3.18Å; R729-E731 VanDerWaalsContact O-N 3.11Å; E731-S733 VanDerWaalsContact C-N 3.35Å; E731-S733 PolarHBondContact O-N 3.29Å; E731-E734 PolarHBondContact O-N 3.32Å; E731-S735 VanDerWaalsContact O-CB 3.27Å; E731-S735 WeakPolarHBondContact O-CB 3.38Å; E731-S735 PolarHBondContact O-N 2.89Å; E731-S735 PolarHBondContact O-OG 3.02Å
732E66Low59.8Low136 Ų136131.8 Ų131.864%0.63664%0.639SS**Hα-helixtrans-62.8-41.1174.9-169.7179.5171.600111.7D730 E734 S735 Q736D730-E732 PolarHBondContact O-N 2.89Å; E732-E734 PolarHBondContact O-N 2.83Å; E732-S735 WeakPolarHBondContact O-CB 3.45Å; E732-S735 PolarHBondContact O-N 3.03Å; E732-Q736 HydrophobicContact CG-CG 4.48Å; E732-Q736 WeakPolarHBondContact O-CG 3.44Å; E732-Q736 PolarHBondContact O-N 3.41Å; E732-Q736 PolarHBondContact OE1-NE2 2.84Å; E732-Q736 VanDerWaalsContact OE1-NE2 3.09Å
733S65Low61.3Low44 Ų44126 Ų12631%0.30862%0.623SS.*Hα-helixtrans-66.4-35.6-179.980.10000112.5D730 E731 R737D730-S733 WeakPolarHBondContact O-CA 3.37Å; D730-S733 WeakPolarHBondContact O-CB 3.37Å; D730-S733 PolarHBondContact O-N 3.44Å; D730-S733 PolarHBondContact O-OG 3.34Å; E731-S733 VanDerWaalsContact C-N 3.35Å; E731-S733 PolarHBondContact O-N 3.29Å; S733-R737 WeakPolarHBondContact O-CG 3.29Å; S733-R737 PolarHBondContact O-N 2.94Å
734E67.3Low62.8Low76 Ų76124 Ų12436%0.35561%0.612SS.*Hα-helixtrans-76.1-38172.6-167.1175.8-76.500111.4D730 E731 E732 Q736 R737 K738D730-E734 PolarHBondContact O-N 3.44Å; E731-E734 PolarHBondContact O-N 3.32Å; E732-E734 PolarHBondContact O-N 2.83Å; E734-Q736 VanDerWaalsContact C-N 3.32Å; E734-Q736 PolarHBondContact O-N 2.89Å; E734-R737 CarbonylContact O-C 3.59Å; E734-R737 WeakPolarHBondContact O-CB 3.44Å; E734-R737 PolarHBondContact O-N 3.3Å; E734-R737 VanDerWaalsContact O-N 3.11Å; E734-K738 WeakPolarHBondContact O-CB 3.39Å; E734-K738 PolarHBondContact O-N 3.35Å; E734-K738 IonicContact OE2-NZ 2.69Å; E734-K738 PolarHBondContact OE2-NZ 3.47Å
735S68.3Low63.9Low66 Ų66121.6 Ų121.646%0.46260%0.602SS.*Hα-helixtrans-56.7-45.3174.8-65.30000111.6E731 E732 K738 A739E731-S735 VanDerWaalsContact O-CB 3.27Å; E731-S735 WeakPolarHBondContact O-CB 3.38Å; E731-S735 PolarHBondContact O-N 2.89Å; E731-S735 PolarHBondContact O-OG 3.02Å; E732-S735 WeakPolarHBondContact O-CB 3.45Å; E732-S735 PolarHBondContact O-N 3.03Å; S735-K738 PolarHBondContact O-N 3.39Å; S735-A739 WeakPolarHBondContact O-CB 3.49Å; S735-A739 PolarHBondContact O-N 3.07Å
736Q72.4Confident64.7Low108 Ų108121.1 Ų121.151%0.50560%0.595SS.*Hα-helixtrans-64.9-38.1174.9-68.6-177.620.300112.5E732 E734 A739 R740E732-Q736 HydrophobicContact CG-CG 4.48Å; E732-Q736 WeakPolarHBondContact O-CG 3.44Å; E732-Q736 PolarHBondContact O-N 3.41Å; E732-Q736 PolarHBondContact OE1-NE2 2.84Å; E732-Q736 VanDerWaalsContact OE1-NE2 3.09Å; E734-Q736 VanDerWaalsContact C-N 3.32Å; E734-Q736 PolarHBondContact O-N 2.89Å; Q736-A739 PolarHBondContact O-N 2.93Å; Q736-R740 PolarHBondContact O-N 3.37Å
737R71.2Confident65.4Low172 Ų172120 Ų12065%0.64959%0.593SS**Hα-helixtrans-64.5-42.4172.3-72.6176.7-172-134.11.6112.1S733 E734 S741S733-R737 WeakPolarHBondContact O-CG 3.29Å; S733-R737 PolarHBondContact O-N 2.94Å; E734-R737 CarbonylContact O-C 3.59Å; E734-R737 WeakPolarHBondContact O-CB 3.44Å; E734-R737 PolarHBondContact O-N 3.3Å; E734-R737 VanDerWaalsContact O-N 3.11Å; R737-S741 VanDerWaalsContact O-CB 3.23Å; R737-S741 WeakPolarHBondContact O-CB 3.35Å; R737-S741 PolarHBondContact O-N 2.91Å
738K80.3Confident65.8Low126 Ų126124.3 Ų124.355%0.54859%0.593SS.*Hα-helixtrans-62.9-40.3174.5-104.3160.9-179.1151.10111.5E734 S735 R742E734-K738 WeakPolarHBondContact O-CB 3.39Å; E734-K738 PolarHBondContact O-N 3.35Å; E734-K738 IonicContact OE2-NZ 2.69Å; E734-K738 PolarHBondContact OE2-NZ 3.47Å; S735-K738 PolarHBondContact O-N 3.39Å; K738-R742 WeakPolarHBondContact O-CB 3.49Å; K738-R742 WeakPolarHBondContact O-CG 3.46Å; K738-R742 PolarHBondContact O-N 2.74Å
739A73.6Confident66Low53 Ų53128.7 Ų128.744%0.43860%0.595SS.*Hα-helixtrans-64.2-51.6176.100000112.1S735 Q736 S741 R742 Q743S735-A739 WeakPolarHBondContact O-CB 3.49Å; S735-A739 PolarHBondContact O-N 3.07Å; Q736-A739 PolarHBondContact O-N 2.93Å; A739-S741 VanDerWaalsContact C-N 3.31Å; A739-S741 PolarHBondContact O-N 2.97Å; A739-R742 WeakPolarHBondContact O-CB 3.24Å; A739-R742 PolarHBondContact O-N 3.2Å; A739-R742 VanDerWaalsContact O-N 3.1Å; A739-Q743 PolarHBondContact O-N 2.93Å
740R70.4Confident66Low192 Ų192126.3 Ų126.373%0.72560%0.602SS**Hα-helixtrans-61.2-38.2176-72-172.7-179.5-121.73.9112.3Q736 Q743 A744Q736-R740 PolarHBondContact O-N 3.37Å; R740-Q743 PolarHBondContact O-N 3.23Å; R740-A744 WeakPolarHBondContact O-CB 3.4Å; R740-A744 PolarHBondContact O-N 3.33Å
741S70.6Confident65.6Low60 Ų60127.4 Ų127.442%0.4261%0.613SS.*Hα-helixtrans-64.9-36.1174.1-173.20000112.8R737 A739 R745R737-S741 VanDerWaalsContact O-CB 3.23Å; R737-S741 WeakPolarHBondContact O-CB 3.35Å; R737-S741 PolarHBondContact O-N 2.91Å; A739-S741 VanDerWaalsContact C-N 3.31Å; A739-S741 PolarHBondContact O-N 2.97Å; S741-R745 WeakPolarHBondContact O-CG 3.47Å; S741-R745 PolarHBondContact O-N 2.71Å
742R72.9Confident64.8Low186 Ų186129.8 Ų129.870%0.70262%0.624SS**Hα-helixtrans-67.1-47172.4-80.8178.2166.1-167.6-4.4112.1K738 A739 A744 R745 Q746K738-R742 WeakPolarHBondContact O-CB 3.49Å; K738-R742 WeakPolarHBondContact O-CG 3.46Å; K738-R742 PolarHBondContact O-N 2.74Å; A739-R742 WeakPolarHBondContact O-CB 3.24Å; A739-R742 PolarHBondContact O-N 3.2Å; A739-R742 VanDerWaalsContact O-N 3.1Å; R742-A744 PolarHBondContact O-N 2.91Å; R742-R745 PolarHBondContact O-N 2.99Å; R742-R745 VanDerWaalsContact O-N 3.08Å; R742-Q746 WeakPolarHBondContact O-CG 3.31Å; R742-Q746 PolarHBondContact O-N 3.47Å
743Q67Low63.9Low131 Ų131126.8 Ų126.861%0.61263%0.63SS**Hα-helixtrans-57.9-46174.2-81.4-177.2-36.500112A739 R740 R745 Q746 S747A739-Q743 PolarHBondContact O-N 2.93Å; R740-Q743 PolarHBondContact O-N 3.23Å; Q743-R745 PolarHBondContact O-N 2.96Å; Q743-Q746 PolarHBondContact O-N 3.09Å; Q743-Q746 VanDerWaalsContact O-N 3.14Å; Q743-S747 WeakPolarHBondContact O-CB 3.46Å; Q743-S747 PolarHBondContact O-N 2.92Å
744A65.6Low63.1Low58 Ų58129.7 Ų129.748%0.47965%0.646SS.*Hα-helixtrans-62.9-20.7177.200000113.9R740 R742 R748R740-A744 WeakPolarHBondContact O-CB 3.4Å; R740-A744 PolarHBondContact O-N 3.33Å; R742-A744 PolarHBondContact O-N 2.91Å; A744-R748 VanDerWaalsContact O-CD 3.32Å; A744-R748 WeakPolarHBondContact O-CD 3.45Å; A744-R748 WeakPolarHBondContact O-CG 3.46Å
745R64Low62.8Low188 Ų188129.3 Ų129.371%0.70965%0.649SS**Hα-helixtrans-89.6-35.5172.1-72.8177.4176.9-150.1-2.4112.9S741 R742 Q743 R748S741-R745 WeakPolarHBondContact O-CG 3.47Å; S741-R745 PolarHBondContact O-N 2.71Å; R742-R745 PolarHBondContact O-N 2.99Å; R742-R745 VanDerWaalsContact O-N 3.08Å; Q743-R745 PolarHBondContact O-N 2.96Å; R745-R748 PolarHBondContact O-N 2.9Å
746Q58.3Low62.2Low140 Ų140132.1 Ų132.165%0.65466%0.658SS**Hα-helixtrans-67.7-42.9175.7-74.1171.7-47.200111.7R742 Q743 R748 R749R742-Q746 WeakPolarHBondContact O-CG 3.31Å; R742-Q746 PolarHBondContact O-N 3.47Å; Q743-Q746 PolarHBondContact O-N 3.09Å; Q743-Q746 VanDerWaalsContact O-N 3.14Å; Q746-R748 PolarHBondContact O-N 2.87Å; Q746-R749 PolarHBondContact O-N 3.46Å; Q746-R749 VanDerWaalsContact O-N 3.12Å
747S57.3Low61.6Low100 Ų100131.6 Ų131.670%0.69966%0.662SS**THydrogen-bonded Turntrans-53.3-25.3171.3161.10000113.5Q743Q743-S747 WeakPolarHBondContact O-CB 3.46Å; Q743-S747 PolarHBondContact O-N 2.92Å
748R59.9Low61.2Low213 Ų213127.1 Ų127.180%0.80465%0.651SS**THydrogen-bonded Turntrans-10721.3-175.8-57.918078.2148.45.2113.1A744 R745 Q746A744-R748 VanDerWaalsContact O-CD 3.32Å; A744-R748 WeakPolarHBondContact O-CD 3.45Å; A744-R748 WeakPolarHBondContact O-CG 3.46Å; R745-R748 PolarHBondContact O-N 2.9Å; Q746-R748 PolarHBondContact O-N 2.87Å
749R57.3Low60.4Low227 Ų227125.6 Ų125.686%0.85765%0.648SS**SBendtrans-13626.9179.5-122177.6-170.3-102.40.2114.5Q746Q746-R749 PolarHBondContact O-N 3.46Å; Q746-R749 VanDerWaalsContact O-N 3.12Å
750S54.8Low59.6Low108 Ų108128.3 Ų128.376%0.75565%0.652SS**  trans-113.343.5-179.2-1680000113.5
751T51.9Low59.1Low139 Ų139126.1 Ų126.185%0.85365%0.65SS**  trans-144.151.6174590000112.4
752Q46.3Very low58.3Low202 Ų202125.5 Ų125.594%0.94465%0.648SS**  trans-150.2107.1159.2-160.1161.210.600109.4
753G46.8Very low57.4Low73 Ų73122.9 Ų122.975%0.75364%0.644SS**  trans174.235.3-167.400000113.1
754V48.7Very low56.8Low106 Ų106125.3 Ų125.364%0.64265%0.653SS**  trans-100.1123.5161-179.40000105.2D758 L759V754-D758 HydrophobicContact CG1-CB 3.83Å; V754-L759 HydrophobicContact CG1-CG 4.12Å
755T62.3Low56Low67 Ų67128.1 Ų128.141%0.41166%0.664SS.*  trans-80.7159.6-17971.10000110.8T757 D758 L759T755-T757 WeakPolarHBondContact CB-OG1 3.32Å; T755-T757 PolarHBondContact O-N 2.77Å; T755-T757 PolarHBondContact OG1-OG1 2.88Å; T755-D758 WeakPolarHBondContact CA-OD2 3.16Å; T755-D758 WeakPolarHBondContact CB-OD2 3.22Å; T755-D758 PolarHBondContact N-OD2 2.89Å; T755-D758 PolarHBondContact O-N 3.2Å; T755-D758 VanDerWaalsContact O-N 3.11Å; T755-D758 PolarHBondContact OG1-N 3.28Å; T755-D758 PolarHBondContact OG1-OD1 2.83Å; T755-D758 PolarHBondContact OG1-OD2 3.04Å; T755-L759 PolarHBondContact O-N 2.93Å
756L54.8Low55Low125 Ų125125.7 Ų125.765%0.65466%0.664SS**Hα-helixtrans-66.3-23.9178.3-161.9141.3000111.8Q760L756-Q760 HydrophobicContact CD2-CG 4.27Å; L756-Q760 WeakPolarHBondContact O-CG 3.28Å; L756-Q760 PolarHBondContact O-N 3.16Å; L756-Q760 VanDerWaalsContact O-N 3.08Å
757T60.6Low54.4Low98 Ų98122.3 Ų122.360%0.60167%0.666SS**Hα-helixtrans-63.8-47.1167.8170000112.8T755 L759 Q760 E761T755-T757 WeakPolarHBondContact CB-OG1 3.32Å; T755-T757 PolarHBondContact O-N 2.77Å; T755-T757 PolarHBondContact OG1-OG1 2.88Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact O-N 2.89Å; T757-Q760 PolarHBondContact O-N 3.33Å; T757-Q760 VanDerWaalsContact O-N 3.16Å; T757-E761 PolarHBondContact O-N 3.12Å
758D62.9Low53.6Low78 Ų78128.3 Ų128.342%0.41767%0.674SS.*Hα-helixtrans-62.9-36.3179.6-49.6-43.2000111.3V754 T755 A762V754-D758 HydrophobicContact CG1-CB 3.83Å; T755-D758 WeakPolarHBondContact CA-OD2 3.16Å; T755-D758 WeakPolarHBondContact CB-OD2 3.22Å; T755-D758 PolarHBondContact N-OD2 2.89Å; T755-D758 PolarHBondContact O-N 3.2Å; T755-D758 VanDerWaalsContact O-N 3.11Å; T755-D758 PolarHBondContact OG1-N 3.28Å; T755-D758 PolarHBondContact OG1-OD1 2.83Å; T755-D758 PolarHBondContact OG1-OD2 3.04Å; D758-A762 WeakPolarHBondContact O-CB 3.28Å; D758-A762 PolarHBondContact O-N 3.44Å; D758-A762 VanDerWaalsContact O-N 3.1Å
759L63.2Low52.2Low93 Ų93124.7 Ų124.749%0.48768%0.675SS.*Hα-helixtrans-66.7-44.6173.4-80.4164000112.3V754 T755 T757 E761 A762 E763V754-L759 HydrophobicContact CG1-CG 4.12Å; T755-L759 PolarHBondContact O-N 2.93Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact O-N 2.89Å; L759-E761 VanDerWaalsContact C-N 3.32Å; L759-E761 PolarHBondContact O-N 3.29Å; L759-A762 PolarHBondContact O-N 3.15Å; L759-E763 WeakPolarHBondContact O-CB 3.42Å; L759-E763 WeakPolarHBondContact O-CG 3.49Å; L759-E763 PolarHBondContact O-N 3.42Å
760Q55.2Low51Low110 Ų110125.5 Ų125.551%0.51468%0.678SS.*Hα-helixtrans-70.4-26178.7-75.9-171.8-2400113.8L756 T757 K764L756-Q760 HydrophobicContact CD2-CG 4.27Å; L756-Q760 WeakPolarHBondContact O-CG 3.28Å; L756-Q760 PolarHBondContact O-N 3.16Å; L756-Q760 VanDerWaalsContact O-N 3.08Å; T757-Q760 PolarHBondContact O-N 3.33Å; T757-Q760 VanDerWaalsContact O-N 3.16Å; Q760-K764 WeakPolarHBondContact O-CG 3.46Å; Q760-K764 PolarHBondContact O-N 2.82Å
761E61.9Low50Low147 Ų147125.8 Ų125.869%0.68768%0.677SS**Hα-helixtrans-72-42.5170.5-170.4157.6-151.700111.1T757 L759 K764T757-E761 PolarHBondContact O-N 3.12Å; L759-E761 VanDerWaalsContact C-N 3.32Å; L759-E761 PolarHBondContact O-N 3.29Å; E761-K764 PolarHBondContact O-N 3.19Å
762A53.3Low49.3Very low46 Ų46128.5 Ų128.538%0.3868%0.68SS.*Hα-helixtrans-62.2-47.817300000112.7D758 L759 K764 T765 I766D758-A762 WeakPolarHBondContact O-CB 3.28Å; D758-A762 PolarHBondContact O-N 3.44Å; D758-A762 VanDerWaalsContact O-N 3.1Å; L759-A762 PolarHBondContact O-N 3.15Å; A762-K764 VanDerWaalsContact C-N 3.27Å; A762-K764 PolarHBondContact O-N 3.33Å; A762-T765 PolarHBondContact O-N 3.26Å; A762-T765 PolarHBondContact O-OG1 2.95Å; A762-I766 PolarHBondContact O-N 2.9Å
763E54.3Low48.7Very low131 Ų131126.4 Ų126.461%0.61267%0.668SS**Hα-helixtrans-59.3-35.4-179.7-76.4178.216800112.7L759 T765 I766 G767L759-E763 WeakPolarHBondContact O-CB 3.42Å; L759-E763 WeakPolarHBondContact O-CG 3.49Å; L759-E763 PolarHBondContact O-N 3.42Å; E763-T765 PolarHBondContact O-N 3.08Å; E763-I766 PolarHBondContact O-N 2.87Å; E763-G767 PolarHBondContact O-N 3.25Å
764K52.6Low48.5Very low183 Ų183127.7 Ų127.780%0.79666%0.662SS**Hα-helixtrans-64-22.9174.7-84.1177.9177.6172.70114.3Q760 E761 A762Q760-K764 WeakPolarHBondContact O-CG 3.46Å; Q760-K764 PolarHBondContact O-N 2.82Å; E761-K764 PolarHBondContact O-N 3.19Å; A762-K764 VanDerWaalsContact C-N 3.27Å; A762-K764 PolarHBondContact O-N 3.33Å
765T48.9Very low48.1Very low116 Ų116133.5 Ų133.571%0.71267%0.672SS**Hα-helixtrans-90.2-22.4-179.665.10000113.8A762 E763A762-T765 PolarHBondContact O-N 3.26Å; A762-T765 PolarHBondContact O-OG1 2.95Å; E763-T765 PolarHBondContact O-N 3.08Å
766I44.7Very low47.3Very low138 Ų138137.3 Ų137.371%0.70869%0.685SS**Hα-helixtrans-100-8.4-176.8-66.1170.8000112A762 E763 R768A762-I766 PolarHBondContact O-N 2.9Å; E763-I766 PolarHBondContact O-N 2.87Å; I766-R768 PolarHBondContact O-N 3.02Å
767G44.3Very low47Very low68 Ų68135.7 Ų135.770%0.70168%0.675SS**  trans-67.135.7178.400000117.3E763E763-G767 PolarHBondContact O-N 3.25Å
768R40.3Very low46.5Very low227 Ų227138.5 Ų138.586%0.85768%0.681SS**SBendtrans-151.6144.8168.6-124.9172.4-180177.9-1.3112.5I766I766-R768 PolarHBondContact O-N 3.02Å
769T31.5Very low45.7Very low137 Ų137142.4 Ų142.484%0.8469%0.694SS**  trans59.294.2176.555.90000117.5
770R31.8Very low45Very low243 Ų243145 Ų14592%0.91770%0.703SS**  trans-145.4102.9152.5-172.2179.1-172-176.14.5111.2
771P34.8Very low44.8Very low114 Ų114147 Ų14774%0.7471%0.713SS**  trans-74.3159.9160.9-10.828.3000110.8
772Q36.5Very low44.3Very low196 Ų196146.6 Ų146.692%0.91671%0.709SS**  trans-75146.3168.3-66.1161.2-91.800110
773K32.9Very low44.4Very low158 Ų158149.4 Ų149.469%0.68771%0.714SS**  trans-111.4148.6167.5-120.3174.8172.2-154.80109.6E777K773-E777 WeakPolarHBondContact CD-OE2 3.47Å; K773-E777 VanDerWaalsContact CE-CD 3.45Å; K773-E777 WeakPolarHBondContact CE-OE1 3.15Å; K773-E777 WeakPolarHBondContact CE-OE2 3.48Å; K773-E777 IonicContact NZ-OE1 2.66Å; K773-E777 PolarHBondContact NZ-OE1 2.91Å; K773-E777 IonicContact NZ-OE2 2.63Å; K773-E777 PolarHBondContact NZ-OE2 2.72Å
774T42.1Very low44.6Very low101 Ų101150.8 Ų150.862%0.6272%0.718SS**  trans-94.2164.5-164.941.80000113.6E776T774-E776 PolarHBondContact O-N 3.5Å
775R40.7Very low44.4Very low227 Ų227148.4 Ų148.486%0.85771%0.71SS**THydrogen-bonded Turntrans-69.327.7-174-168.6175.8163.6174.2-3.4114.6
776E45.8Very low44.7Very low147 Ų147146.7 Ų146.769%0.68770%0.696SS**THydrogen-bonded Turntrans-119.9-36.1-173-67.6179.2137.100112.6T774 K779T774-E776 PolarHBondContact O-N 3.5Å; E776-K779 WeakPolarHBondContact O-CB 3.37Å; E776-K779 PolarHBondContact O-N 2.76Å; E776-K779 VanDerWaalsContact O-N 3.1Å
777E48.5Very low45.1Very low92 Ų92146 Ų14643%0.4369%0.688SS.*Hα-helixtrans-70.7-32.4175.5-67.5-176.4165.700113.2K773 K779 E780 E781K773-E777 WeakPolarHBondContact CD-OE2 3.47Å; K773-E777 VanDerWaalsContact CE-CD 3.45Å; K773-E777 WeakPolarHBondContact CE-OE1 3.15Å; K773-E777 WeakPolarHBondContact CE-OE2 3.48Å; K773-E777 IonicContact NZ-OE1 2.66Å; K773-E777 PolarHBondContact NZ-OE1 2.91Å; K773-E777 IonicContact NZ-OE2 2.63Å; K773-E777 PolarHBondContact NZ-OE2 2.72Å; E777-K779 PolarHBondContact O-N 3.25Å; E777-E780 PolarHBondContact O-N 2.67Å; E777-E781 PolarHBondContact O-N 2.8Å
778E49.1Very low45.8Very low156 Ų156149.8 Ų149.873%0.72969%0.687SS**Hα-helixtrans-62-9171.3-165.8176.2-151.100112.2
779K46.9Very low46.5Very low160 Ų160145.8 Ų145.870%0.69668%0.676SS**Hα-helixtrans-95.2-39.8175.7-150.8-176.9179.1-165.40112.5E776 E777 K782 E783E776-K779 WeakPolarHBondContact O-CB 3.37Å; E776-K779 PolarHBondContact O-N 2.76Å; E776-K779 VanDerWaalsContact O-N 3.1Å; E777-K779 PolarHBondContact O-N 3.25Å; K779-K782 PolarHBondContact O-N 3.13Å; K779-E783 PolarHBondContact O-N 2.78Å; K779-E783 VanDerWaalsContact O-N 3.09Å
780E49.7Very low47.3Very low147 Ų147145.4 Ų145.469%0.68767%0.665SS**Hα-helixtrans-68.3-42.1175.9-82.2-166.8120.900112.5E777 K782 E783 K784E777-E780 PolarHBondContact O-N 2.67Å; E780-K782 PolarHBondContact O-N 2.89Å; E780-E783 PolarHBondContact O-N 2.87Å; E780-K784 PolarHBondContact O-N 3.35Å; E780-K784 VanDerWaalsContact O-N 3.13Å
781E51Low47.9Very low153 Ų153141.4 Ų141.472%0.71566%0.657SS**Hα-helixtrans-64.7-28.8179.7-165.2164.8-126.700111.7E777E777-E781 PolarHBondContact O-N 2.8Å
782K50.2Low48.7Very low138 Ų138143 Ų14360%0.666%0.655SS**Hα-helixtrans-75.6-45.7174.6-166172-176.6178.20112.9K779 E780 K784 Q785 D786K779-K782 PolarHBondContact O-N 3.13Å; E780-K782 PolarHBondContact O-N 2.89Å; K782-K784 PolarHBondContact O-N 3.43Å; K782-K784 VanDerWaalsContact O-N 3.17Å; K782-Q785 PolarHBondContact O-N 3.05Å; K782-Q785 VanDerWaalsContact O-N 3.13Å; K782-D786 PolarHBondContact O-N 3.25Å
783E56.6Low49.5Very low105 Ų105140.1 Ų140.149%0.49164%0.641SS.*Hα-helixtrans-60-27.7176.4-162.5-171.1124.500112.2K779 E780 K787K779-E783 PolarHBondContact O-N 2.78Å; K779-E783 VanDerWaalsContact O-N 3.09Å; E780-E783 PolarHBondContact O-N 2.87Å; E783-K787 PolarHBondContact O-N 3.45Å; E783-K787 IonicContact OE1-NZ 2.76Å; E783-K787 PolarHBondContact OE1-NZ 3.04Å
784K56.7Low50.3Low161 Ų161139.8 Ų139.870%0.764%0.639SS**Hα-helixtrans-70.6-36.7177.3-149.2172.1-173.7178.90113.2E780 K782 E788E780-K784 PolarHBondContact O-N 3.35Å; E780-K784 VanDerWaalsContact O-N 3.13Å; K782-K784 PolarHBondContact O-N 3.43Å; K782-K784 VanDerWaalsContact O-N 3.17Å; K784-E788 PolarHBondContact O-N 3.25Å
785Q50.1Low50.6Low133 Ų133142.4 Ų142.462%0.62164%0.642SS**Hα-helixtrans-72.6-36.7174.5-72-171.8-16.700112.4K782 K787 E788 K789K782-Q785 PolarHBondContact O-N 3.05Å; K782-Q785 VanDerWaalsContact O-N 3.13Å; Q785-K787 VanDerWaalsContact C-N 3.3Å; Q785-K787 PolarHBondContact O-N 3.47Å; Q785-E788 PolarHBondContact O-N 3.06Å; Q785-K789 PolarHBondContact O-N 3.41Å
786D53.9Low50.9Low79 Ų79138 Ų13842%0.42263%0.632SS.*Hα-helixtrans-66.8-31.8178.1-69.1-31000112K782 Q790K782-D786 PolarHBondContact O-N 3.25Å; D786-Q790 WeakPolarHBondContact O-CG 3.48Å; D786-Q790 PolarHBondContact O-N 3.27Å
787K54.3Low51Low124 Ų124134.8 Ų134.854%0.53962%0.622SS.*Hα-helixtrans-72-31.9173.6-82.9168.5172.7163.40114.3E783 Q785 Q791E783-K787 PolarHBondContact O-N 3.45Å; E783-K787 IonicContact OE1-NZ 2.76Å; E783-K787 PolarHBondContact OE1-NZ 3.04Å; Q785-K787 VanDerWaalsContact C-N 3.3Å; Q785-K787 PolarHBondContact O-N 3.47Å; K787-Q791 PolarHBondContact O-N 3.31Å
788E58.1Low51Low147 Ų147137.5 Ų137.569%0.68763%0.634SS**Hα-helixtrans-70.2-42.8177.8-160.3159.2-141.400110.3K784 Q785 Q790 Q791 E792K784-E788 PolarHBondContact O-N 3.25Å; Q785-E788 PolarHBondContact O-N 3.06Å; E788-Q790 PolarHBondContact O-N 3.09Å; E788-Q791 PolarHBondContact O-N 3.06Å; E788-E792 PolarHBondContact O-N 3.41Å
789K54.6Low50.9Low143 Ų143134.3 Ų134.362%0.62263%0.626SS**Hα-helixtrans-57-49.3172.4-81-172.1165.5-166.10114Q785 Q791 E792 E793Q785-K789 PolarHBondContact O-N 3.41Å; K789-Q791 PolarHBondContact O-N 2.96Å; K789-Q791 VanDerWaalsContact O-N 3.14Å; K789-E792 PolarHBondContact O-N 3.33Å; K789-E792 VanDerWaalsContact O-N 3.09Å; K789-E793 WeakPolarHBondContact O-CB 3.47Å; K789-E793 PolarHBondContact O-N 2.79Å
790Q47.9Very low51.2Low129 Ų129134 Ų13460%0.60363%0.625SS**Hα-helixtrans-64.3-18.7-177.9-72.6177.615.200113.4D786 E788 K794D786-Q790 WeakPolarHBondContact O-CG 3.48Å; D786-Q790 PolarHBondContact O-N 3.27Å; E788-Q790 PolarHBondContact O-N 3.09Å; Q790-K794 WeakPolarHBondContact O-CB 3.49Å; Q790-K794 PolarHBondContact O-N 3.32Å
791Q46.1Very low51Low159 Ų159134.4 Ų134.474%0.74363%0.626SS**Hα-helixtrans-88.6-21.1176.7-168.8158.757.400113.1K787 E788 K789K787-Q791 PolarHBondContact O-N 3.31Å; E788-Q791 PolarHBondContact O-N 3.06Å; K789-Q791 PolarHBondContact O-N 2.96Å; K789-Q791 VanDerWaalsContact O-N 3.14Å
792E51.7Low50.6Low149 Ų149132.6 Ų132.670%0.69662%0.622SS**Hα-helixtrans-83.6-48172.2-164.1161.5-130.100110.5E788 K789 K794 K795 E796E788-E792 PolarHBondContact O-N 3.41Å; K789-E792 PolarHBondContact O-N 3.33Å; K789-E792 VanDerWaalsContact O-N 3.09Å; E792-K794 VanDerWaalsContact C-N 3.32Å; E792-K794 PolarHBondContact O-N 3.14Å; E792-K795 WeakPolarHBondContact O-CB 3.39Å; E792-K795 PolarHBondContact O-N 3.01Å; E792-E796 PolarHBondContact O-N 3.02Å
793E52.1Low50.5Low134 Ų134130.6 Ų130.663%0.62662%0.617SS**Hα-helixtrans-57.4-40.2178.5-170.2169.5-129.800112.6K789 K795 E796 T797K789-E793 WeakPolarHBondContact O-CB 3.47Å; K789-E793 PolarHBondContact O-N 2.79Å; E793-K795 PolarHBondContact O-N 3.38Å; E793-E796 PolarHBondContact O-N 2.84Å; E793-T797 PolarHBondContact O-N 3.18Å
794K49.8Very low49.9Very low151 Ų151134.7 Ų134.766%0.65763%0.63SS**Hα-helixtrans-69.2-14.2176.6-168.2167.1-176.4178.60114Q790 E792 T797Q790-K794 WeakPolarHBondContact O-CB 3.49Å; Q790-K794 PolarHBondContact O-N 3.32Å; E792-K794 VanDerWaalsContact C-N 3.32Å; E792-K794 PolarHBondContact O-N 3.14Å; K794-T797 PolarHBondContact O-OG1 2.94Å
795K48.4Very low49.4Very low156 Ų156136 Ų13668%0.67863%0.631SS**Hα-helixtrans-93.2-21.4-179.1-157.5-179.1178.9-169.80112.9E792 E793 T799E792-K795 WeakPolarHBondContact O-CB 3.39Å; E792-K795 PolarHBondContact O-N 3.01Å; E793-K795 PolarHBondContact O-N 3.38Å; K795-T799 PolarHBondContact O-OG1 2.89Å
796E48Very low49.1Very low136 Ų136133.5 Ų133.564%0.63663%0.627SS**Hα-helixtrans-83.3-22.3169.9-67.4-166.9118.500113E792 E793 T799E792-E796 PolarHBondContact O-N 3.02Å; E793-E796 PolarHBondContact O-N 2.84Å; E796-T799 PolarHBondContact O-OG1 3.36Å
797T48.3Very low48.6Very low79 Ų79134.8 Ų134.849%0.48563%0.629SS.*Hα-helixtrans-75.1-41.6176.249.60000112.7E793 K794 T799 K800E793-T797 PolarHBondContact O-N 3.18Å; K794-T797 PolarHBondContact O-OG1 2.94Å; T797-T799 VanDerWaalsContact C-N 3.26Å; T797-T799 PolarHBondContact O-N 2.75Å; T797-K800 PolarHBondContact O-N 3.3Å
798E46.8Very low47.9Very low148 Ų148138.8 Ų138.869%0.69264%0.642SS**Hα-helixtrans-72.4-19-174.8-159.7166.1-126.100112.7
799T48.6Very low46.9Very low89 Ų89142.3 Ų142.355%0.54665%0.649SS.*Hα-helixtrans-86-30.3173.847.30000113.8K795 E796 T797K795-T799 PolarHBondContact O-OG1 2.89Å; E796-T799 PolarHBondContact O-OG1 3.36Å; T797-T799 VanDerWaalsContact C-N 3.26Å; T797-T799 PolarHBondContact O-N 2.75Å
800K52.3Low46Very low154 Ų154140.4 Ų140.467%0.6765%0.654SS**Hα-helixtrans-75.7-21.2-177.8-79.4-176.1173.5-178.10114.6T797T797-K800 PolarHBondContact O-N 3.3Å
801E44.8Very low45.3Very low155 Ų155144.1 Ų144.172%0.72467%0.669SS**Hα-helixtrans-76.3-32.2-179.5-67.8-167.5162.800113.6
802D43.6Very low44.7Very low115 Ų115145.6 Ų145.662%0.61568%0.675SS**Hα-helixtrans-77.3-37-177.8-96.1-28.5000113.1Y804 R805 S806D802-Y804 VanDerWaalsContact C-N 3.32Å; D802-Y804 PolarHBondContact O-N 3.47Å; D802-R805 WeakPolarHBondContact O-CB 3.37Å; D802-R805 PolarHBondContact O-N 2.9Å; D802-S806 PolarHBondContact O-N 3.02Å
803D48.5Very low43.5Very low96 Ų96145.3 Ų145.351%0.51367%0.674SS.*Hα-helixtrans-62.9-38.3176.5-84.4-38000112.4R805 S806 K807D803-R805 PolarHBondContact O-N 2.63Å; D803-S806 WeakPolarHBondContact O-CB 3.46Å; D803-S806 PolarHBondContact O-N 3.11Å; D803-K807 PolarHBondContact O-N 3.5Å
804Y43.8Very low42.5Very low192 Ų192149.6 Ų149.675%0.75369%0.685SS**Hα-helixtrans-62.8-26.2176-151.5-90.9000112.1D802D802-Y804 VanDerWaalsContact C-N 3.32Å; D802-Y804 PolarHBondContact O-N 3.47Å
805R45.7Very low41.5Very low189 Ų189152.6 Ų152.671%0.71369%0.693SS**Hα-helixtrans-83.3-18.9175.2-158.4175.8-167.9170.17.1113.5D802 D803D802-R805 WeakPolarHBondContact O-CB 3.37Å; D802-R805 PolarHBondContact O-N 2.9Å; D803-R805 PolarHBondContact O-N 2.63Å
806S44.1Very low40.6Very low79 Ų79154.5 Ų154.555%0.55270%0.696SS**Hα-helixtrans-82.7-49.2-177.9-165.50000112.3D802 D803 Y808 R809D802-S806 PolarHBondContact O-N 3.02Å; D803-S806 WeakPolarHBondContact O-CB 3.46Å; D803-S806 PolarHBondContact O-N 3.11Å; S806-Y808 PolarHBondContact O-N 3.29Å; S806-Y808 VanDerWaalsContact O-N 3.09Å; S806-R809 PolarHBondContact O-N 2.91Å
807K43.5Very low39.7Very low107 Ų107153.9 Ų153.947%0.46570%0.704SS.*G310 helixtrans-63.3-16.9-176.7-86.1162.1176.61530114.4D803 S810 Q919 D921D803-K807 PolarHBondContact O-N 3.5Å; K807-S810 PolarHBondContact O-OG 3.5Å; K807-Q919 VanDerWaalsContact NZ-OE1 3.13Å; K807-D921 WeakPolarHBondContact CE-OD1 3.3Å; K807-D921 IonicContact NZ-OD1 3.55Å; K807-D921 PolarHBondContact NZ-OD1 3.2Å; K807-D921 IonicContact NZ-OD2 2.61Å; K807-D921 PolarHBondContact NZ-OD2 2.84Å
808Y39.8Very low38.6Very low208 Ų208155.2 Ų155.282%0.81672%0.716SS**G310 helixtrans-86.76178.9-123.8-82.1000115.6S806S806-Y808 PolarHBondContact O-N 3.29Å; S806-Y808 VanDerWaalsContact O-N 3.09Å
809R36.2Very low37.7Very low221 Ų221153.7 Ų153.783%0.83472%0.722SS**G310 helixtrans-107.2-6.6-179.1-99.1-178.6174.5156.2-1.2116S806S806-R809 PolarHBondContact O-N 2.91Å
810S36Very low36.7Very low102 Ų102154.2 Ų154.271%0.71373%0.73SS**SBendtrans-106.5-1.1-164.143.40000115.7K807K807-S810 PolarHBondContact O-OG 3.5Å
811F32.4Very low35.6Very low208 Ų208151.8 Ų151.891%0.91273%0.732SS**SBendtrans-100.4-17.8-178.9-160.2-106.8000114.8
812E34Very low34.9Very low189 Ų189149.3 Ų149.388%0.88373%0.731SS**SBendtrans-110.242.7-165.3-164.7123-122.800115.3
813E27Very low34.3Very low144 Ų144149 Ų14967%0.67374%0.739SS**  trans-144.778.1157.8-155.3169.5-161.200113.4R816E813-R816 IonicContact OE1-CZ 2.67Å; E813-R816 IonicContact OE1-NE 3.78Å; E813-R816 PolarHBondContact OE1-NE 3.47Å; E813-R816 VanDerWaalsContact OE1-NE 3.13Å; E813-R816 IonicContact OE1-NH2 3.67Å; E813-R816 PolarHBondContact OE1-NH2 3.2Å
814R30.2Very low33.3Very low224 Ų224151.9 Ų151.985%0.84575%0.752SS**SBendtrans-138.3133.5151.8-156.8178.8-62.5-155.35109.5
815Y28.7Very low32.6Very low214 Ų214147.2 Ų147.284%0.83975%0.748SS**  trans74.187.1-169.3-66.2-78.9000117.1
816R29.5Very low31.7Very low195 Ų195143.7 Ų143.774%0.73675%0.748SS**  trans-82.2144.3146.6-66.2-173.4-171.1-173.32.2110.8E813E813-R816 IonicContact OE1-CZ 2.67Å; E813-R816 IonicContact OE1-NE 3.78Å; E813-R816 PolarHBondContact OE1-NE 3.47Å; E813-R816 VanDerWaalsContact OE1-NE 3.13Å; E813-R816 IonicContact OE1-NH2 3.67Å; E813-R816 PolarHBondContact OE1-NH2 3.2Å
817P30.1Very low31Very low124 Ų124145.8 Ų145.881%0.80576%0.756SS**  trans-89.3164.9138.233.9-29.4000111
818S25.2Very low30.3Very low106 Ų106145.6 Ų145.674%0.74177%0.769SS**  trans-106.5166-167.4-64.50000114.7
819S27.4Very low29.7Very low116 Ų116142.5 Ų142.581%0.81177%0.772SS**  trans74.8148.1166.42.40000116.1
820S27.6Very low29.3Very low101 Ų101136 Ų13671%0.70677%0.765SS**  cis-159.11410.148.40000112.6
821S28.7Very low29.1Very low103 Ų103136.1 Ų136.172%0.7277%0.766SS**  trans25.8131.5147.159.90000119.9
822S30.7Very low29Very low102 Ų102132.7 Ų132.771%0.71376%0.762SS**  -173.6163.465.8-60.40000115.2
823S30.8Very low29Very low109 Ų109127.7 Ų127.776%0.76275%0.753SS**  trans56.295.7146.955.80000121.8
824I27.7Very low29.9Very low156 Ų156126.1 Ų126.180%0.876%0.755SS**  trans-15.8161.8137.753.2168.9000121
825S28.6Very low29.9Very low94 Ų94125 Ų12566%0.65775%0.753SS**  trans88.8142.7151.3-58.40000119.1
826T27Very low29.9Very low116 Ų116120.1 Ų120.171%0.71275%0.75SS**  cis-168.9164.9-15.425.10000111.3
827V30.1Very low29.8Very low122 Ų122115.6 Ų115.674%0.73975%0.748SS**  trans63.4109.3153.2-67.90000123.4
828S28.7Very low29.6Very low104 Ų104114.7 Ų114.773%0.72775%0.745SS**  51.4126.1111.8-46.50000123.1
829T27.9Very low29.6Very low143 Ų143114.1 Ų114.188%0.87774%0.741SS**  157156.8121.840.80000110.7
830A28Very low30.1Very low83 Ų83116.2 Ų116.269%0.68674%0.742SS**  cis-163.1151.2-32.800000110.7
831S30.5Very low30.7Very low106 Ų106116.6 Ų116.674%0.74175%0.745SS**  trans47.5106.3150.3-53.60000122.7
832T30.7Very low30.6Very low135 Ų135117.9 Ų117.983%0.82875%0.754SS**  trans49.6119.2131.555.50000122.7
833A34.3Very low30.5Very low84 Ų84116.9 Ų116.969%0.69476%0.759SS**  48.5133.612600000120.3
834P46.3Very low30.7Very low111 Ų111117.7 Ų117.772%0.72177%0.765SS**  -145.5-179.676.239-20.8000116.9
835Y29.6Very low30.8Very low201 Ų201116 Ų11679%0.78877%0.768SS**  trans-76.4139.5-177.56.1-99.1000114
836S28.7Very low30.9Very low111 Ų111115.7 Ų115.778%0.77677%0.771SS**  179.7150.3126.3-80.80000115.6
837S27Very low31.6Very low101 Ų101117.6 Ų117.671%0.70678%0.776SS**  trans53.291.914564.20000121.7
838S25.4Very low31.7Very low104 Ų104118.3 Ų118.373%0.72778%0.775SS**  69.8135.1108.668.80000123.9
839S26.9Very low32Very low95 Ų95123.4 Ų123.466%0.66478%0.778SS**  trans69.275.8136.163.70000120.5
840L37Very low33.3Very low159 Ų159121.3 Ų121.383%0.83277%0.767SS**  61.2113.6106.8-66.6164.8000120.6
841S40.3Very low33.4Very low110 Ų110124.1 Ų124.177%0.76977%0.771SS**  80.5135124.4-57.60000120.6
842S27.6Very low33.6Very low129 Ų129123.9 Ų123.990%0.90277%0.769SS**  trans-140.6137.9166.4-77.60000111.6
843G27.4Very low33.5Very low81 Ų81124.8 Ų124.884%0.83577%0.768SS**  trans74.789.2133.200000119.1
844S34.7Very low33.3Very low127 Ų127126.6 Ų126.689%0.88877%0.771SS**  trans-82.1157.8164.8-40.60000112.8
845S30.3Very low32.4Very low121 Ų121124.4 Ų124.485%0.84677%0.768SS**  trans-150.2145.3156.163.90000108.2
846A31.5Very low32.5Very low87 Ų87122.5 Ų122.572%0.71977%0.77SS**SBendcis-147.9152.7-0.400000108.2
847L41.1Very low32.3Very low156 Ų156123.1 Ų123.182%0.81777%0.769SS**  cis-158.5177.7-9.7-101.7168.9000105.4
848N32.3Very low32.3Very low136 Ų136123 Ų12373%0.72777%0.769SS**  cis-135.5-121.811.5-165.92.8000112.3
849R33.9Very low32.4Very low211 Ų211123.2 Ų123.280%0.79677%0.77SS**  trans-174.1-179.9-163.5-109-173.2172.6-159.2-3.5109.6
850P55.9Low32.2Very low99 Ų99128.9 Ų128.964%0.64378%0.778SS**  cis-136.5166.38.931.9-9.9000118.8
851N31Very low31.8Very low142 Ų142125.6 Ų125.676%0.75977%0.768SS**  trans61.7148.9153.4-60.1-4.3000119.7
852S33.2Very low31Very low102 Ų102132.4 Ų132.471%0.71378%0.777SS**  cis-178.5166.1-15.456.60000108.6
853L30.1Very low30.9Very low154 Ų154131.5 Ų131.581%0.80677%0.771SS**  cis-145.8-777.4-163.166.5000115.2
854T29Very low30.8Very low122 Ų122132.7 Ų132.775%0.74877%0.767SS**  trans-155.8164.1-158.840.10000116.4
855G28.5Very low30.5Very low65 Ų65136.6 Ų136.667%0.6776%0.762SS**  trans-76.1-158.9167.800000115.1
856I30.3Very low30.4Very low160 Ų160136.3 Ų136.382%0.82175%0.751SS**  cis-159.7171.127.1-11.7172.4000113.3
857T24.3Very low30.4Very low125 Ų125137.3 Ų137.377%0.76775%0.748SS**  trans71.4121.3150.749.30000124.3
858S27.3Very low29.8Very low99 Ų99137.6 Ų137.669%0.69275%0.745SS**  8598.2120.7-172.20000123.3
859S28.5Very low29.8Very low107 Ų107138.5 Ų138.575%0.74874%0.743SS**  76.9133.6119.9-460000123.4
860Y21.8Very low29.5Very low215 Ų215136 Ų13684%0.84374%0.74SS**  trans87.8103.7142.9-125.1-100000120.8
861S29.8Very low28.2Very low89 Ų89137.1 Ų137.162%0.62275%0.75SS**  trans54.7118.1146.3-57.20000120.5
862R22.4Very low28.3Very low253 Ų253135 Ų13596%0.95574%0.739SS**  178168.4109.2-93.5163.7103.5142.26.9112.3
863S25.2Very low28.2Very low110 Ų110140 Ų14077%0.76974%0.742SS**  trans-101.3166.3175.854.20000112.5
864S25.5Very low28.1Very low107 Ų107140 Ų14075%0.74874%0.736SS**  trans73.1131.6171-1270000114.2
865R28.2Very low28.1Very low208 Ų208140 Ų14079%0.78573%0.731SS**  cis-152.8161.329.5-83.2-173.8121.5143.58.3113.8
866D28.7Very low28.2Very low115 Ų115145.3 Ų145.362%0.61574%0.738SS**  26145.8123.6-26.3-36.1000119.2
867T31.8Very low28.2Very low109 Ų109145.4 Ų145.467%0.66974%0.735SS**  cis-148164.125.346.30000115
868E27.3Very low28.4Very low161 Ų161146.1 Ų146.175%0.75273%0.728SS**  trans67.4136.7142.9-79.3167.7-89.500120.9
869K32.7Very low28.5Very low156 Ų156149.2 Ų149.268%0.67873%0.731SS**  cis-163.3111.10.6-174.9161.2-175168.60114.4
870E27.7Very low28.5Very low159 Ų159147.6 Ų147.674%0.74373%0.732SS**  50.7105.3127.2-166.3175.6-132.100121.2
871S29.8Very low28.8Very low121 Ų121146.4 Ų146.485%0.84673%0.734SS**  179.1140.7114.733.80000111.5
872D31.7Very low28.8Very low97 Ų97147.7 Ų147.752%0.51973%0.734SS.*  cis169.7102.1-36163.641.8000107.2
873R31.2Very low29.1Very low208 Ų208143.8 Ų143.879%0.78572%0.723SS**  trans172.3120.4130.3-96145-140.5-164.17.3115.7
874K29.3Very low29.3Very low154 Ų154143.9 Ų143.967%0.6772%0.724SS**  50143.9111.3-62.7-163.3145.3-70.10120
875D28.4Very low29.8Very low121 Ų121147 Ų14765%0.64773%0.727SS**  cis-157.6-176.52-111-6000112.1
876E29.3Very low30.5Very low177 Ų177141.4 Ų141.483%0.82772%0.717SS**  trans-89.6-179.4-172-59.1169.6136.900115
877E31.1Very low30.5Very low163 Ų163147.8 Ų147.876%0.76273%0.733SS**  trans-2.7154.2160-52.3-176.4-178.200120.2
878K29.7Very low30.5Very low139 Ų139147.1 Ų147.160%0.60473%0.733SS**  cis179.8162.644.6-149160179-82.50112.7
879E27.3Very low31.1Very low165 Ų165143.3 Ų143.377%0.77172%0.717SS**  trans50.2138.3149.3-88.8159.7-163.200123.6
880G29.1Very low31.1Very low73 Ų73144.9 Ų144.975%0.75372%0.718SS**  trans132.2101.5138.500000120.1
881E28.4Very low31.5Very low190 Ų190145.1 Ų145.189%0.88872%0.724SS**  trans25135.3140.4-74.2-175.7163.300121
882D29.1Very low31.6Very low116 Ų116148.6 Ų148.662%0.6272%0.719SS**  cis166.4172.621.8173.929000110.2
883K29.3Very low31.9Very low170 Ų170155.6 Ų155.674%0.73974%0.738SS**  trans86123.6157.1-85.4157.5-174.3107.10124.5
884S30Very low32.3Very low112 Ų112157.3 Ų157.378%0.78375%0.745SS**  trans81.5143.7145.168.80000120.9
885Q36.1Very low32.6Very low173 Ų173156.3 Ų156.381%0.80875%0.754SS**  cis175170.4-33.2-100.8-115.2-67.300107.8
886P41.8Very low32.8Very low90 Ų90161.4 Ų161.458%0.58476%0.764SS**  cis-123.7-176.9-13.339.8-24.3000113.5
887R28.7Very low32.8Very low249 Ų249160.2 Ų160.294%0.9476%0.759SS**  trans-149.8140.7160.3-95-170.4171.5-165.7-4.6108.8
888S33.2Very low32.9Very low95 Ų95162.9 Ų162.966%0.66477%0.768SS**  trans-92.1119.6-164.543.20000115.7
889I39Very low33.4Very low81 Ų81165.2 Ų165.242%0.41577%0.773SS.*  29.794.9129.4-48.1159.1000118D273 E274D273-I889 VanDerWaalsContact OD1-CD1 3.28Å; D273-I889 WeakPolarHBondContact OD1-CD1 3.3Å; D273-I889 WeakPolarHBondContact OD2-CD1 3.43Å; E274-I889 HydrophobicContact CB-CD1 3.85Å; E274-I889 HydrophobicContact CG-CD1 4.49Å
890R33.3Very low33.8Very low190 Ų190167.5 Ų167.572%0.71777%0.774SS**  trans-151.11137.4-145.1165177.7150-6.5115.8E138 R892E138-R890 IonicContact OE1-NH1 2.71Å; R890-R892 PolarHBondContact O-N 3.06Å
891D34.7Very low33.9Very low163 Ų163169.8 Ų169.887%0.87278%0.779SS**  trans-87.690.8-178.7-172.15.6000113
892R33.4Very low34.1Very low195 Ų195167.4 Ų167.474%0.73678%0.778SS**  trans-151.547.3-179.7-129.6177.2-164.9165.89116.9E274 R890E274-R892 IonicContact OE1-CZ 3.04Å; E274-R892 IonicContact OE1-NH1 2.73Å; E274-R892 PolarHBondContact OE1-NH1 3.44Å; E274-R892 IonicContact OE1-NH2 2.99Å; R890-R892 PolarHBondContact O-N 3.06Å
893R36.6Very low34.2Very low244 Ų244165.8 Ų165.892%0.92179%0.788SS**  trans-13297.3166.3-70.9-168.1178.6-175.33.9114.3
894R40.1Very low34.1Very low243 Ų243164.7 Ų164.792%0.91780%0.795SS**  trans-101.9147151.2-79.3-172.6176.3176.90.8110.4
895P35.5Very low34Very low134 Ų134164.5 Ų164.587%0.8779%0.794SS**  trans-73.9145.3-166.9-1631.3000113.3
896R34.1Very low33.4Very low228 Ų228164.6 Ų164.686%0.8679%0.792SS**  trans-138.7101.8172.3-158.2168.1-168.9156.65.5115
897E27.8Very low32.7Very low151 Ų151170.7 Ų170.771%0.70680%0.803SS**  trans4382.4142.1-156.4-178.8172.100118.1R899E897-R899 PolarHBondContact O-N 3.13Å
898K32.9Very low32.9Very low219 Ų219164.2 Ų164.295%0.95279%0.792SS**  trans-60.6131.8169-73179.8178.21740111.4
899R41.9Very low32.6Very low188 Ų188168.2 Ų168.271%0.70980%0.8SS**  trans-123115.5168.1-101.2-170.3169.5-158.9-0.4113.2E897E897-R899 PolarHBondContact O-N 3.13Å
900R35.8Very low32.1Very low213 Ų213172 Ų17280%0.80482%0.821SS**  trans65.386.2152.2-56.3176.6176.2-169.6-3.8117.3
901S29.6Very low32Very low121 Ų121166.1 Ų166.185%0.84682%0.82SS**PPolyproline II helixtrans-69.6153.514249.20000110.5
902T32.2Very low31.8Very low141 Ų141162 Ų16287%0.86582%0.815SS**PPolyproline II helixtrans-78.6138.5171.439.40000110.4
903G32.7Very low31.8Very low81 Ų81160 Ų16084%0.83582%0.82SS**PPolyproline II helixtrans-75.3131.1-166.100000115.4
904V26.9Very low31.6Very low147 Ų147156.4 Ų156.489%0.89182%0.818SS**  trans-124.1132.3149.2176.90000106.3
905S27.8Very low31.2Very low109 Ų109152.1 Ų152.176%0.76281%0.814SS**  trans-99.7115.2-174.255.40000111.7
906F23.6Very low31.4Very low175 Ų175151.2 Ų151.277%0.76881%0.808SS**  trans-136152.8162.9-169.4-107.7000108.9T908F906-T908 HydrophobicContact CE1-CG2 4.01Å; F906-T908 HydrophobicContact CZ-CG2 4.47Å
907W27.3Very low31.2Very low217 Ų217148.5 Ų148.582%0.82281%0.805SS**  trans-132.4138.8-177.5-79.356.6000108.5
908T31.6Very low31.2Very low114 Ų114150.5 Ų150.570%0.69981%0.814SS**  trans-144.7157.5159.123.20000108.5F906F906-T908 HydrophobicContact CE1-CG2 4.01Å; F906-T908 HydrophobicContact CZ-CG2 4.47Å
909Q27.8Very low31.1Very low179 Ų179147 Ų14784%0.83680%0.801SS**  trans-34.9139.4170-97.872.9-22.200113.6
910D28.7Very low30.4Very low161 Ų161143.3 Ų143.386%0.86181%0.805SS**  trans-118.4142136.2-164.4-0.6000106.6
911G30.9Very low29.9Very low66 Ų66138.1 Ų138.168%0.6879%0.793SS**  trans-102109.1-173.900000110.4
912G30.8Very low30.3Very low76 Ų76137.8 Ų137.878%0.78479%0.79SS**  trans-130.7106.8172.200000109.5
913D32.4Very low30.2Very low154 Ų154140.6 Ų140.682%0.82479%0.794SS**  trans-67.1141.5177.2-59.8-81.3000112
914D32.5Very low30Very low167 Ų167145.9 Ų145.989%0.89380%0.796SS**  trans175.994.8142.3-99.4-28000108.4
915D32.8Very low30.1Very low154 Ų154142.9 Ų142.982%0.82480%0.795SS**  trans-104.9117174.1-172.840.5000110.8E917D915-E917 PolarHBondContact O-N 3.35Å
916P38.5Very low30Very low115 Ų115142.5 Ų142.575%0.74779%0.793SS**  trans-8597.9-17932.5-33000112.1
917E30.2Very low30.3Very low171 Ų171140.2 Ų140.280%0.79979%0.793SS**  trans34.2111.8158-62.2-167.1136.400118.9D915D915-E917 PolarHBondContact O-N 3.35Å
918Q28.8Very low30.3Very low192 Ų192141.7 Ų141.790%0.89780%0.799SS**  trans-145.2112.3141.9-148.2144.4108.400112.5
919Q29.6Very low30.2Very low145 Ų145140.3 Ų140.368%0.67881%0.807SS**  trans-71.3137.1171.8-66.4-175.67.100110.3K807K807-Q919 VanDerWaalsContact NZ-OE1 3.13Å
920S27.2Very low30.1Very low112 Ų112140.8 Ų140.878%0.78381%0.809SS**  trans-87.399.9158.258.70000109.1
921D25.4Very low30.7Very low104 Ų104137.3 Ų137.356%0.55680%0.795SS**  trans-76.6152.9161.4-92.5-41.9000110.6K807K807-D921 WeakPolarHBondContact CE-OD1 3.3Å; K807-D921 IonicContact NZ-OD1 3.55Å; K807-D921 PolarHBondContact NZ-OD1 3.2Å; K807-D921 IonicContact NZ-OD2 2.61Å; K807-D921 PolarHBondContact NZ-OD2 2.84Å
922S39.6Very low30.6Very low113 Ų113142.4 Ų142.479%0.7980%0.802SS**  trans-108.7136.8-176.2-58.80000110.1
923E29.1Very low30.5Very low201 Ų201143.4 Ų143.494%0.93980%0.797SS**  trans-114.1146.1167.1-75.7-149.312500112.4
924E28.8Very low30.2Very low191 Ų191141.9 Ų141.989%0.89379%0.788SS**  trans-79.3142.5-177.1-63.3-174.596.400113.2
925G28.1Very low30.1Very low84 Ų84144 Ų14487%0.86678%0.784SS**  trans-112.362.817200000112.8T927G925-T927 PolarHBondContact O-N 2.79Å
926S26.6Very low30Very low102 Ų102145 Ų14571%0.71379%0.788SS**  trans-65.6126-177.5-175.90000113
927T29.5Very low29.4Very low126 Ų126144.6 Ų144.677%0.77379%0.788SS**  179135.2121.428.20000115G925G925-T927 PolarHBondContact O-N 2.79Å
928R28.6Very low29.2Very low249 Ų249148.3 Ų148.394%0.9480%0.795SS**  trans10.8123.2151.2-60.9176176.7170.7-1119.8
929G28.7Very low29.1Very low85 Ų85144.8 Ų144.888%0.87678%0.783SS**  trans-174.174.8164.600000116.2
930E25.1Very low28.9Very low188 Ų188145.4 Ų145.488%0.87979%0.785SS**  trans-79.2164.7154.6-96.7-155.2133.500110
931P41.6Very low28.9Very low88 Ų88145.5 Ų145.557%0.57179%0.786SS**  cis-138.5174.820.143.2-26.7000117.3
932Q28.3Very low29Very low174 Ų174145.8 Ų145.881%0.81380%0.796SS**  trans67.4152.2152.7-76.5166.6-84.700118.4
933S28.5Very low28.5Very low97 Ų97143.8 Ų143.868%0.67878%0.782SS**  cis-157.3154.53.330.20000113.6
934D27.7Very low28.6Very low121 Ų121144.8 Ų144.865%0.64778%0.779SS**  trans55.8114.8153.8-73.9-65.8000123.4
935R28.7Very low28.6Very low213 Ų213142.9 Ų142.980%0.80477%0.774SS**  45.2123.7125.9-51.5171.7-163.8-139-3.6119.7
936L31.2Very low28.6Very low173 Ų173144.1 Ų144.191%0.90676%0.761SS**  -172.9154.887.6-95.9177.4000112.8
937S26.4Very low28.7Very low108 Ų108148.4 Ų148.476%0.75576%0.761SS**  trans-78.6143.9-176.9164.10000114
938R26.4Very low28.6Very low248 Ų248149.6 Ų149.694%0.93676%0.763SS**  -152.3167125.5-145.6159.3-179.5160.40.9113.5
939N26.8Very low28.5Very low119 Ų119144.9 Ų144.964%0.63676%0.756SS**  trans-85.6165-157-142.659.5000116
940E25.8Very low28.5Very low158 Ų158144.4 Ų144.474%0.73874%0.744SS**  trans-14.2150.3150.7-47.6170.9115.200116.5
941S26.5Very low28.8Very low113 Ų113142.2 Ų142.279%0.7974%0.738SS**  -162.7154.450.3-64.40000113.8
942S27.3Very low28.1Very low110 Ų110146.7 Ų146.777%0.76975%0.749SS**  trans-84.7148.9161.4-173.40000111.2
943S29.6Very low28.1Very low72 Ų72143.4 Ų143.450%0.50375%0.745SS.*  trans-51.8152.8160.950.80000111.6
944Y30.5Very low28.1Very low221 Ų221149.4 Ų149.487%0.86775%0.753SS**  cis-148.5163.838.4-81.7-87.3000114
945L28.8Very low28Very low152 Ų152147.5 Ų147.580%0.79675%0.749SS**  trans-85.7132.7162.1-80.3166000108.8
946D28.4Very low28.2Very low109 Ų109148.2 Ų148.258%0.58375%0.753SS**  75.6133.283.4-14248.7000110.8
947R28.6Very low28Very low192 Ų192143.6 Ų143.673%0.72575%0.747SS**  cis-166159.17.4-152173.9-158.6116.7-2.8110.3
948N26.4Very low28.1Very low152 Ų152147.1 Ų147.181%0.81375%0.751SS**  trans159.5145.8142.9-84.7-10.5000110.3
949D27.1Very low28.4Very low149 Ų149139.8 Ų139.880%0.79774%0.738SS**  cis-155.8150-28.4-168.813.9000108
950A29Very low28.5Very low75 Ų75146.1 Ų146.162%0.6275%0.753SS**  trans-163.1148-176.800000116.4
951L30.7Very low28.7Very low142 Ų142149.9 Ų149.974%0.74376%0.761SS**  trans73.5148.1170.1-43.7-179.9000114.4
952F28.2Very low29.8Very low183 Ų183150 Ų15080%0.80376%0.759SS**  cis-135.4163.121.1-78.7-92.6000110.3
953S26.9Very low29.7Very low104 Ų104155.7 Ų155.773%0.72777%0.765SS**  -171.3172.957.4-161.80000115.6
954R29.4Very low29.7Very low224 Ų224157.5 Ų157.585%0.84578%0.777SS**  trans-46.1167.5176.9-57167.7165.8153.6-6.1115
955S26.3Very low29.6Very low81 Ų81152.1 Ų152.157%0.56677%0.772SS**  cis-168.4171.530.4-151.40000115.8
956Y30.9Very low30.3Very low228 Ų228156.2 Ų156.289%0.89478%0.777SS**  trans60.2122.6160.7-67.1-67000119.3
957G28.7Very low31Very low75 Ų75159.1 Ų159.177%0.77379%0.792SS**  trans-120.4-166.6170.900000112.4
958E27.7Very low31.2Very low183 Ų183156.9 Ų156.986%0.85579%0.794SS**  trans-149.5157.5172.4-173.250.6-9600109.1
959S32.9Very low31.8Very low94 Ų94159.6 Ų159.666%0.65779%0.793SS**  trans-110125.5-173.6-71.70000114.4
960R29.6Very low32.4Very low251 Ų251157.9 Ų157.995%0.94778%0.784SS**  trans-166.8145.9143.8-103.4143.9-160.2-87.32.1113.9
961R30.1Very low33.4Very low238 Ų238162.7 Ų162.790%0.89880%0.799SS**  trans-105.6174.3166.1-73.7-173.7180-153.11.5108.8
962P48.3Very low34.4Very low115 Ų115159.6 Ų159.675%0.74779%0.794SS**  cis-129166.5-36.434.5-20000112.1
963Y25.9Very low36.2Very low230 Ų230155.2 Ų155.290%0.90278%0.782SS**  trans-148.9157.8146.1-140.3-99.9000110.6
964S29.5Very low38.6Very low110 Ų110154.4 Ų154.477%0.76977%0.77SS**  trans-128.1120.2-176.7-178.60000110.9
965S28.9Very low40.3Very low108 Ų108152.2 Ų152.276%0.75576%0.763SS**  trans-158.4102.8165.6550000110.2
966R42.1Very low43Very low237 Ų237155 Ų15589%0.89477%0.765SS**  trans-2.1123.9156.9-59166.8176.7161.1-4.6116.3
967L44.1Very low45.5Very low170 Ų170150.3 Ų150.389%0.8975%0.749SS**  -177.196.4114-98170.8000109.4
968D32.5Very low48.1Very low145 Ų145150.4 Ų150.478%0.77573%0.731SS**  trans-163.9128.2164.1-116.3-39.9000108.3
969R39.9Very low50.4Low210 Ų210149 Ų14979%0.79272%0.719SS**  trans52.9147.2143.1-78.8178.1172-88.11.9121.7
970D38.2Very low53Low112 Ų112149.2 Ų149.260%0.59971%0.71SS**  cis-134.9143.41.2-68.8-72.9000110.4A972D970-A972 HydrophobicContact CB-CB 4.47Å; D970-A972 PolarHBondContact O-N 3.23Å
971D50.5Low55.9Low176 Ų176143.1 Ų143.194%0.94169%0.692SS**  trans-78.175.9156.4-84.3-52.4000108.8T973D971-T973 PolarHBondContact O-N 3.01Å
972A51.9Low58.8Low77 Ų77135.5 Ų135.564%0.63667%0.669SS**  trans-79.7103.4171.800000109.3D970 D974D970-A972 HydrophobicContact CB-CB 4.47Å; D970-A972 PolarHBondContact O-N 3.23Å; A972-D974 PolarHBondContact O-N 3.21Å; A972-D974 VanDerWaalsContact O-N 3.11Å
973T65.8Low60.8Low92 Ų92134 Ų13456%0.56465%0.654SS**  trans-53.2118.1170.3-52.40000109.2D971 Y975D971-T973 PolarHBondContact O-N 3.01Å; T973-Y975 VanDerWaalsContact C-N 3.25Å; T973-Y975 WeakPolarHBondContact O-CD2 3.43Å; T973-Y975 PolarHBondContact O-N 3.36Å
974D77.8Confident63.7Low86 Ų86126 Ų12646%0.4664%0.635SS.*  trans-70.380.4-179.1-102.8-43.3000110.2A972 K976 K977 L978A972-D974 PolarHBondContact O-N 3.21Å; A972-D974 VanDerWaalsContact O-N 3.11Å; D974-K976 PolarHBondContact O-N 3.34Å; D974-K977 HydrophobicContact CB-CB 4.01Å; D974-K977 HydrophobicContact CB-CD 3.71Å; D974-K977 HydrophobicContact CB-CG 3.88Å; D974-K977 WeakPolarHBondContact O-CA 3.46Å; D974-K977 WeakPolarHBondContact O-CB 3.47Å; D974-K977 PolarHBondContact O-N 3.01Å; D974-K977 VanDerWaalsContact OD2-CE 3.23Å; D974-K977 WeakPolarHBondContact OD2-CE 3.45Å; D974-K977 IonicContact OD2-NZ 2.79Å; D974-K977 PolarHBondContact OD2-NZ 3.22Å; D974-L978 PolarHBondContact O-N 2.75Å; D974-L978 VanDerWaalsContact O-N 3.07Å
975Y65Low66.7Low178 Ų178125.4 Ų125.470%0.69862%0.62SS**Hα-helixtrans-52.8-29.3178.1-69.2-80.9000112.5T973 L978 Y979T973-Y975 VanDerWaalsContact C-N 3.25Å; T973-Y975 WeakPolarHBondContact O-CD2 3.43Å; T973-Y975 PolarHBondContact O-N 3.36Å; Y975-L978 PolarHBondContact O-N 3.37Å; Y975-Y979 WeakPolarHBondContact O-CB 3.17Å; Y975-Y979 PolarHBondContact O-N 3.35Å
976K83.2Confident69.4Low140 Ų140123.7 Ų123.761%0.60960%0.602SS**Hα-helixtrans-61.5-47.5171.3179.1174.9172177.80112.5D974 L978 Y979 E980D974-K976 PolarHBondContact O-N 3.34Å; K976-L978 VanDerWaalsContact C-N 3.34Å; K976-Y979 PolarHBondContact O-N 2.96Å; K976-E980 WeakPolarHBondContact CE-OE1 3.37Å; K976-E980 IonicContact NZ-OE1 2.83Å; K976-E980 WeakPolarHBondContact O-CB 3.42Å; K976-E980 WeakPolarHBondContact O-CG 3.44Å; K976-E980 PolarHBondContact O-N 3.1Å
977K83.6Confident71.8Confident129 Ų129119.5 Ų119.556%0.56159%0.593SS**Hα-helixtrans-66.4-38.4177.6-68.9175.9-175.2150.70111.2D974 E980 Q981D974-K977 HydrophobicContact CB-CB 4.01Å; D974-K977 HydrophobicContact CB-CD 3.71Å; D974-K977 HydrophobicContact CB-CG 3.88Å; D974-K977 WeakPolarHBondContact O-CA 3.46Å; D974-K977 WeakPolarHBondContact O-CB 3.47Å; D974-K977 PolarHBondContact O-N 3.01Å; D974-K977 VanDerWaalsContact OD2-CE 3.23Å; D974-K977 WeakPolarHBondContact OD2-CE 3.45Å; D974-K977 IonicContact OD2-NZ 2.79Å; D974-K977 PolarHBondContact OD2-NZ 3.22Å; K977-E980 PolarHBondContact O-N 2.82Å; K977-Q981 VanDerWaalsContact O-CB 3.26Å; K977-Q981 WeakPolarHBondContact O-CB 2.83Å; K977-Q981 PolarHBondContact O-N 3.47Å
978L81.9Confident74.1Confident77 Ų77117.3 Ų117.340%0.40358%0.576SS.*Hα-helixtrans-62.7-43.2175.8-174.461.5000111.2D974 Y975 K976 Q981 I982D974-L978 PolarHBondContact O-N 2.75Å; D974-L978 VanDerWaalsContact O-N 3.07Å; Y975-L978 PolarHBondContact O-N 3.37Å; K976-L978 VanDerWaalsContact C-N 3.34Å; L978-Q981 PolarHBondContact O-N 2.97Å; L978-I982 HydrophobicContact CD1-CD1 4.29Å; L978-I982 HydrophobicContact CG-CD1 4.01Å; L978-I982 WeakPolarHBondContact O-CB 3.22Å; L978-I982 VanDerWaalsContact O-CG1 3.25Å; L978-I982 WeakPolarHBondContact O-CG1 3.14Å; L978-I982 PolarHBondContact O-N 3.01Å
979Y78Confident76.8Confident153 Ų153114.9 Ų114.960%0.656%0.562SS**Hα-helixtrans-64.6-44.9174.7-177.4-103.1000112.7Y975 K976 Q981 I982 L983Y975-Y979 WeakPolarHBondContact O-CB 3.17Å; Y975-Y979 PolarHBondContact O-N 3.35Å; K976-Y979 PolarHBondContact O-N 2.96Å; Y979-Q981 VanDerWaalsContact C-N 3.31Å; Y979-Q981 PolarHBondContact O-N 2.98Å; Y979-I982 PolarHBondContact O-N 3.44Å; Y979-L983 HydrophobicContact CD1-CD1 3.98Å; Y979-L983 HydrophobicContact CE1-CD1 3.47Å; Y979-L983 VanDerWaalsContact CE1-CD1 3.47Å; Y979-L983 HydrophobicContact CE1-CG 4.23Å; Y979-L983 WeakPolarHBondContact O-CG 3.25Å; Y979-L983 PolarHBondContact O-N 2.87Å
980E87.4Confident79.1Confident99 Ų99110.8 Ų110.846%0.46355%0.551SS.*Hα-helixtrans-61.8-37.3174.8-73.1171.3167.800112K976 K977 A984K976-E980 WeakPolarHBondContact CE-OE1 3.37Å; K976-E980 IonicContact NZ-OE1 2.83Å; K976-E980 WeakPolarHBondContact O-CB 3.42Å; K976-E980 WeakPolarHBondContact O-CG 3.44Å; K976-E980 PolarHBondContact O-N 3.1Å; K977-E980 PolarHBondContact O-N 2.82Å; E980-A984 WeakPolarHBondContact O-CB 3.47Å; E980-A984 PolarHBondContact O-N 3.2Å; E980-A984 VanDerWaalsContact O-N 3.08Å
981Q89.8Confident81.7Confident124 Ų124107.2 Ų107.258%0.57954%0.536SS*.Hα-helixtrans-67.4-46174.2179.9175.5-29.300112.2K977 L978 Y979 L983 A984 E985K977-Q981 VanDerWaalsContact O-CB 3.26Å; K977-Q981 WeakPolarHBondContact O-CB 2.83Å; K977-Q981 PolarHBondContact O-N 3.47Å; L978-Q981 PolarHBondContact O-N 2.97Å; Y979-Q981 VanDerWaalsContact C-N 3.31Å; Y979-Q981 PolarHBondContact O-N 2.98Å; Q981-L983 VanDerWaalsContact C-N 3.3Å; Q981-L983 PolarHBondContact O-N 3.48Å; Q981-A984 PolarHBondContact O-N 3.03Å; Q981-E985 WeakPolarHBondContact O-CB 3.33Å; Q981-E985 PolarHBondContact O-N 2.72Å
982I91.1Very high83.5Confident78 Ų78103.5 Ų103.540%0.451%0.513SS..Hα-helixtrans-61.8-37.8177.4-71.7165.1000111L978 Y979 N986L978-I982 HydrophobicContact CD1-CD1 4.29Å; L978-I982 HydrophobicContact CG-CD1 4.01Å; L978-I982 WeakPolarHBondContact O-CB 3.22Å; L978-I982 VanDerWaalsContact O-CG1 3.25Å; L978-I982 WeakPolarHBondContact O-CG1 3.14Å; L978-I982 PolarHBondContact O-N 3.01Å; Y979-I982 PolarHBondContact O-N 3.44Å; I982-N986 WeakPolarHBondContact O-CB 3.14Å; I982-N986 PolarHBondContact O-N 2.93Å; I982-N986 PolarHBondContact O-ND2 3.49Å
983L89Confident85.4Confident84 Ų84104.9 Ų104.944%0.4451%0.51SS..Hα-helixtrans-65.1-48.1173.7-74.6178000112Y979 Q981 E985 N986 E987Y979-L983 HydrophobicContact CD1-CD1 3.98Å; Y979-L983 HydrophobicContact CE1-CD1 3.47Å; Y979-L983 VanDerWaalsContact CE1-CD1 3.47Å; Y979-L983 HydrophobicContact CE1-CG 4.23Å; Y979-L983 WeakPolarHBondContact O-CG 3.25Å; Y979-L983 PolarHBondContact O-N 2.87Å; Q981-L983 VanDerWaalsContact C-N 3.3Å; Q981-L983 PolarHBondContact O-N 3.48Å; L983-E985 VanDerWaalsContact C-N 3.29Å; L983-E985 PolarHBondContact O-N 3.49Å; L983-N986 WeakPolarHBondContact O-CB 3.35Å; L983-N986 PolarHBondContact O-N 2.77Å; L983-E987 PolarHBondContact O-N 2.82Å
984A88.6Confident86.7Confident60 Ų60108.2 Ų108.250%0.49651%0.512SS..Hα-helixtrans-62.1-36.2178.100000112.6E980 Q981 K988E980-A984 WeakPolarHBondContact O-CB 3.47Å; E980-A984 PolarHBondContact O-N 3.2Å; E980-A984 VanDerWaalsContact O-N 3.08Å; Q981-A984 PolarHBondContact O-N 3.03Å; A984-K988 WeakPolarHBondContact O-CB 2.97Å; A984-K988 PolarHBondContact O-N 3.38Å
985E91.5Very high87.4Confident99 Ų99109 Ų10946%0.46352%0.516SS..Hα-helixtrans-68.6-41.1173.5-176.8149.2-128.700112.1Q981 L983 E987 K988 L989Q981-E985 WeakPolarHBondContact O-CB 3.33Å; Q981-E985 PolarHBondContact O-N 2.72Å; L983-E985 VanDerWaalsContact C-N 3.29Å; L983-E985 PolarHBondContact O-N 3.49Å; E985-E987 PolarHBondContact O-N 3.41Å; E985-K988 WeakPolarHBondContact O-CB 3.33Å; E985-K988 PolarHBondContact O-N 3.46Å; E985-L989 HydrophobicContact CG-CD1 4.07Å; E985-L989 HydrophobicContact CG-CG 4.44Å; E985-L989 WeakPolarHBondContact O-CB 3.46Å; E985-L989 WeakPolarHBondContact O-CG 3.35Å; E985-L989 PolarHBondContact O-N 3.23Å
986N85.1Confident88.8Confident71 Ų71103.7 Ų103.738%0.3850%0.502SS..Hα-helixtrans-61.9-39.5173.3-91.4-89.7000112.7I982 L983 K990I982-N986 WeakPolarHBondContact O-CB 3.14Å; I982-N986 PolarHBondContact O-N 2.93Å; I982-N986 PolarHBondContact O-ND2 3.49Å; L983-N986 WeakPolarHBondContact O-CB 3.35Å; L983-N986 PolarHBondContact O-N 2.77Å; N986-K990 WeakPolarHBondContact O-CB 3.02Å; N986-K990 WeakPolarHBondContact O-CD 2.88Å; N986-K990 WeakPolarHBondContact O-CG 3.12Å; N986-K990 PolarHBondContact O-N 3.31Å
987E92Very high89.1Confident149 Ų149101.3 Ų101.370%0.69650%0.496SS*.Hα-helixtrans-65.9-40.9173.7-70.3-161141.100112.2L983 E985 K990 A991L983-E987 PolarHBondContact O-N 2.82Å; E985-E987 PolarHBondContact O-N 3.41Å; E987-K990 PolarHBondContact O-N 2.97Å; E987-A991 PolarHBondContact O-N 3.09Å
988K93.7Very high89.7Confident124 Ų124100.7 Ų100.754%0.53950%0.498SS..Hα-helixtrans-62.9-45.1175.8-178.4-172.3170.9-161.60112A984 E985 A991 Q992A984-K988 WeakPolarHBondContact O-CB 2.97Å; A984-K988 PolarHBondContact O-N 3.38Å; E985-K988 WeakPolarHBondContact O-CB 3.33Å; E985-K988 PolarHBondContact O-N 3.46Å; K988-A991 WeakPolarHBondContact O-CB 3.37Å; K988-A991 PolarHBondContact O-N 3.14Å; K988-Q992 WeakPolarHBondContact O-CG 3.04Å; K988-Q992 PolarHBondContact O-N 3.25Å
989L88.9Confident90.2Very high94 Ų94103.2 Ų103.249%0.49251%0.508SS..Hα-helixtrans-63.8-41.5175.6-71.2168.8000111.3E985 A991 Q992 L993E985-L989 HydrophobicContact CG-CD1 4.07Å; E985-L989 HydrophobicContact CG-CG 4.44Å; E985-L989 WeakPolarHBondContact O-CB 3.46Å; E985-L989 WeakPolarHBondContact O-CG 3.35Å; E985-L989 PolarHBondContact O-N 3.23Å; L989-A991 VanDerWaalsContact C-N 3.3Å; L989-A991 PolarHBondContact O-N 3.49Å; L989-Q992 PolarHBondContact O-N 3.31Å; L989-L993 WeakPolarHBondContact O-CB 3.28Å; L989-L993 PolarHBondContact O-N 3.49Å
990K89.3Confident90.8Very high125 Ų12599.8 Ų99.854%0.54350%0.5SS..Hα-helixtrans-64.2-31.9173.3-73.7169.3-176178.70112.7N986 E987 R994N986-K990 WeakPolarHBondContact O-CB 3.02Å; N986-K990 WeakPolarHBondContact O-CD 2.88Å; N986-K990 WeakPolarHBondContact O-CG 3.12Å; N986-K990 PolarHBondContact O-N 3.31Å; E987-K990 PolarHBondContact O-N 2.97Å; K990-R994 WeakPolarHBondContact O-CG 3.06Å; K990-R994 PolarHBondContact O-N 3.24Å
991A90.8Very high91Very high36 Ų3697.7 Ų97.730%0.29850%0.499SS..Hα-helixtrans-69.1-51.2172.200000111.4E987 K988 L989 L993 R994 D995E987-A991 PolarHBondContact O-N 3.09Å; K988-A991 WeakPolarHBondContact O-CB 3.37Å; K988-A991 PolarHBondContact O-N 3.14Å; L989-A991 VanDerWaalsContact C-N 3.3Å; L989-A991 PolarHBondContact O-N 3.49Å; A991-L993 VanDerWaalsContact C-N 3.27Å; A991-L993 PolarHBondContact O-N 3.13Å; A991-R994 PolarHBondContact O-N 2.61Å; A991-R994 VanDerWaalsContact O-N 3.07Å; A991-D995 PolarHBondContact O-N 3.43Å
992Q89.3Confident91.2Very high99 Ų9996.2 Ų96.246%0.46350%0.495SS..Hα-helixtrans-57.1-39177.6-71.2179-56.600112.3K988 L989 R994 D995 T996K988-Q992 WeakPolarHBondContact O-CG 3.04Å; K988-Q992 PolarHBondContact O-N 3.25Å; L989-Q992 PolarHBondContact O-N 3.31Å; Q992-R994 PolarHBondContact O-N 3.34Å; Q992-D995 PolarHBondContact O-N 3.23Å; Q992-T996 WeakPolarHBondContact O-CG2 3.43Å; Q992-T996 PolarHBondContact O-N 3.23Å; Q992-T996 PolarHBondContact O-OG1 3.27Å
993L92.5Very high91.2Very high106 Ų10696.8 Ų96.856%0.55550%0.498SS*.Hα-helixtrans-60-46.4175.7-173.463.9000111.7L989 A991 D995 T996 D997L989-L993 WeakPolarHBondContact O-CB 3.28Å; L989-L993 PolarHBondContact O-N 3.49Å; A991-L993 VanDerWaalsContact C-N 3.27Å; A991-L993 PolarHBondContact O-N 3.13Å; L993-D995 VanDerWaalsContact C-N 3.33Å; L993-D995 PolarHBondContact O-N 3.17Å; L993-T996 PolarHBondContact O-N 3.09Å; L993-T996 PolarHBondContact O-OG1 3.31Å; L993-D997 PolarHBondContact O-N 3.5Å
994R92.6Very high91.4Very high161 Ų16198.9 Ų98.961%0.60850%0.504SS*.Hα-helixtrans-62-39175.9-66.2-168.5-147.397.6-4.6112.5K990 A991 Q992 D997 L998K990-R994 WeakPolarHBondContact O-CG 3.06Å; K990-R994 PolarHBondContact O-N 3.24Å; A991-R994 PolarHBondContact O-N 2.61Å; A991-R994 VanDerWaalsContact O-N 3.07Å; Q992-R994 PolarHBondContact O-N 3.34Å; R994-D997 PolarHBondContact O-N 2.76Å; R994-L998 WeakPolarHBondContact O-CG 3.42Å; R994-L998 PolarHBondContact O-N 3.2Å
995D93.1Very high91.6Very high104 Ų104100.8 Ų100.856%0.55651%0.506SS*.Hα-helixtrans-64.5-41.6177.3-66.5-24.1000110.8A991 Q992 L993 L998 E999A991-D995 PolarHBondContact O-N 3.43Å; Q992-D995 PolarHBondContact O-N 3.23Å; L993-D995 VanDerWaalsContact C-N 3.33Å; L993-D995 PolarHBondContact O-N 3.17Å; D995-L998 PolarHBondContact O-N 3.29Å; D995-E999 PolarHBondContact O-N 3.4Å
996T92.8Very high91.5Very high66 Ų66101.6 Ų101.641%0.40551%0.509SS..Hα-helixtrans-68.2-33.6173.959.30000113.5Q992 L993 E999 L1000Q992-T996 WeakPolarHBondContact O-CG2 3.43Å; Q992-T996 PolarHBondContact O-N 3.23Å; Q992-T996 PolarHBondContact O-OG1 3.27Å; L993-T996 PolarHBondContact O-N 3.09Å; L993-T996 PolarHBondContact O-OG1 3.31Å; T996-E999 PolarHBondContact O-N 3.13Å; T996-L1000 VanDerWaalsContact O-CB 3.3Å; T996-L1000 WeakPolarHBondContact O-CB 3.5Å; T996-L1000 VanDerWaalsContact O-CG 3.26Å; T996-L1000 WeakPolarHBondContact O-CG 3.28Å; T996-L1000 PolarHBondContact O-N 2.85Å
997D90.9Very high91.7Very high89 Ų89103.8 Ų103.848%0.47652%0.52SS..Hα-helixtrans-67.2-36.8173.5-92.7-37.4000112L993 R994 A1001L993-D997 PolarHBondContact O-N 3.5Å; R994-D997 PolarHBondContact O-N 2.76Å; D997-A1001 WeakPolarHBondContact O-CB 3.47Å; D997-A1001 PolarHBondContact O-N 3.19Å
998L94.6Very high91.6Very high117 Ų117101.8 Ų101.861%0.61351%0.511SS*.Hα-helixtrans-66.1-45.8172.6-73.5170.3000111.4R994 D995 L1000 A1001 D1002R994-L998 WeakPolarHBondContact O-CG 3.42Å; R994-L998 PolarHBondContact O-N 3.2Å; D995-L998 PolarHBondContact O-N 3.29Å; L998-L1000 PolarHBondContact O-N 2.69Å; L998-A1001 WeakPolarHBondContact O-CB 3.5Å; L998-A1001 PolarHBondContact O-N 2.9Å; L998-D1002 PolarHBondContact O-N 3Å
999E93.4Very high91.5Very high129 Ų129101.5 Ų101.560%0.60351%0.51SS*.Hα-helixtrans-63.2-41.2175.5-174169.5-150.500111.7D995 T996 A1001 D1002 L1003D995-E999 PolarHBondContact O-N 3.4Å; T996-E999 PolarHBondContact O-N 3.13Å; E999-A1001 VanDerWaalsContact C-N 3.32Å; E999-A1001 PolarHBondContact O-N 3.17Å; E999-D1002 PolarHBondContact O-N 3.1Å; E999-L1003 HydrophobicContact CG-CD1 4.08Å; E999-L1003 HydrophobicContact CG-CG 4.45Å; E999-L1003 WeakPolarHBondContact O-CB 3.44Å; E999-L1003 VanDerWaalsContact O-CG 3.31Å; E999-L1003 WeakPolarHBondContact O-CG 3.46Å; E999-L1003 PolarHBondContact O-N 3.17Å
1000L90.9Very high91.3Very high82 Ų8299 Ų9943%0.42950%0.503SS..Hα-helixtrans-64.2-34.2173.1-76.9172.2000112.7T996 L998 K1004T996-L1000 VanDerWaalsContact O-CB 3.3Å; T996-L1000 WeakPolarHBondContact O-CB 3.5Å; T996-L1000 VanDerWaalsContact O-CG 3.26Å; T996-L1000 WeakPolarHBondContact O-CG 3.28Å; T996-L1000 PolarHBondContact O-N 2.85Å; L998-L1000 PolarHBondContact O-N 2.69Å; L1000-K1004 WeakPolarHBondContact O-CB 3.29Å; L1000-K1004 WeakPolarHBondContact O-CD 3.31Å; L1000-K1004 WeakPolarHBondContact O-CG 3.07Å; L1000-K1004 PolarHBondContact O-N 3.11Å
1001A90.9Very high91Very high54 Ų5495.9 Ų95.945%0.44649%0.494SS..Hα-helixtrans-67.5-43.6173.900000111.4D997 L998 E999 K1004 L1005D997-A1001 WeakPolarHBondContact O-CB 3.47Å; D997-A1001 PolarHBondContact O-N 3.19Å; L998-A1001 WeakPolarHBondContact O-CB 3.5Å; L998-A1001 PolarHBondContact O-N 2.9Å; E999-A1001 VanDerWaalsContact C-N 3.32Å; E999-A1001 PolarHBondContact O-N 3.17Å; A1001-K1004 PolarHBondContact O-N 3.11Å; A1001-L1005 WeakPolarHBondContact O-CB 3.14Å; A1001-L1005 PolarHBondContact O-N 3.44Å
1002D93.6Very high90.7Very high94 Ų9497.8 Ų97.850%0.50350%0.497SS..Hα-helixtrans-69.9-37.2179.1-127.238.9000111.9L998 E999 L1005 Q1006L998-D1002 PolarHBondContact O-N 3Å; E999-D1002 PolarHBondContact O-N 3.1Å; D1002-L1005 PolarHBondContact O-N 3.37Å; D1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; D1002-Q1006 VanDerWaalsContact O-CG 3.29Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.38Å; D1002-Q1006 PolarHBondContact O-N 3.4Å
1003L92.3Very high90.4Very high89 Ų8999.8 Ų99.847%0.46650%0.501SS..Hα-helixtrans-64.7-40.7171.3-74.4170.9000112.3E999 Q1006 L1007E999-L1003 HydrophobicContact CG-CD1 4.08Å; E999-L1003 HydrophobicContact CG-CG 4.45Å; E999-L1003 WeakPolarHBondContact O-CB 3.44Å; E999-L1003 VanDerWaalsContact O-CG 3.31Å; E999-L1003 WeakPolarHBondContact O-CG 3.46Å; E999-L1003 PolarHBondContact O-N 3.17Å; L1003-Q1006 PolarHBondContact O-N 2.79Å; L1003-L1007 WeakPolarHBondContact O-CB 3.12Å; L1003-L1007 PolarHBondContact O-N 2.69Å
1004K91.6Very high89.7Confident129 Ų129101.6 Ų101.656%0.56151%0.506SS*.Hα-helixtrans-62.2-42.6172.5-73.6160.1-165.4159.30111.3L1000 A1001 L1007 E1008L1000-K1004 WeakPolarHBondContact O-CB 3.29Å; L1000-K1004 WeakPolarHBondContact O-CD 3.31Å; L1000-K1004 WeakPolarHBondContact O-CG 3.07Å; L1000-K1004 PolarHBondContact O-N 3.11Å; A1001-K1004 PolarHBondContact O-N 3.11Å; K1004-L1007 PolarHBondContact O-N 3.29Å; K1004-E1008 PolarHBondContact O-N 2.63Å
1005L94.4Very high89Confident100 Ų10099.7 Ų99.752%0.52450%0.504SS..Hα-helixtrans-65.6-38.6176.3-178.662.6000112.1A1001 D1002 K1009A1001-L1005 WeakPolarHBondContact O-CB 3.14Å; A1001-L1005 PolarHBondContact O-N 3.44Å; D1002-L1005 PolarHBondContact O-N 3.37Å; L1005-K1009 WeakPolarHBondContact O-CB 3.44Å; L1005-K1009 PolarHBondContact O-N 3.49Å
1006Q88.5Confident88.2Confident115 Ų115101.7 Ų101.754%0.53750%0.504SS..Hα-helixtrans-65.8-40.2173.3-74.7-176.659.200112D1002 L1003 K1009 A1010D1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; D1002-Q1006 VanDerWaalsContact O-CG 3.29Å; D1002-Q1006 WeakPolarHBondContact O-CG 3.38Å; D1002-Q1006 PolarHBondContact O-N 3.4Å; L1003-Q1006 PolarHBondContact O-N 2.79Å; Q1006-K1009 CarbonylContact O-C 3.55Å; Q1006-K1009 PolarHBondContact O-N 3.43Å; Q1006-A1010 WeakPolarHBondContact O-CB 3.22Å; Q1006-A1010 PolarHBondContact O-N 3.25Å
1007L89Confident87.2Confident117 Ų117106.7 Ų106.761%0.61352%0.516SS*.Hα-helixtrans-64.4-46.5175.4-176.563.9000111.6L1003 K1004 K1009 A1010 T1011L1003-L1007 WeakPolarHBondContact O-CB 3.12Å; L1003-L1007 PolarHBondContact O-N 2.69Å; K1004-L1007 PolarHBondContact O-N 3.29Å; L1007-K1009 VanDerWaalsContact C-N 3.3Å; L1007-K1009 PolarHBondContact O-N 2.94Å; L1007-A1010 CarbonylContact O-C 3.57Å; L1007-A1010 WeakPolarHBondContact O-CA 3.33Å; L1007-A1010 WeakPolarHBondContact O-CB 3.42Å; L1007-A1010 PolarHBondContact O-N 3.37Å; L1007-T1011 PolarHBondContact O-N 3.19Å; L1007-T1011 PolarHBondContact O-OG1 3.42Å
1008E89.8Confident86.2Confident107 Ų107104.8 Ų104.850%0.551%0.513SS..Hα-helixtrans-62-39.5175.1-163.6-165.5147.800111.4K1004 A1010 T1011 Q1012K1004-E1008 PolarHBondContact O-N 2.63Å; E1008-A1010 PolarHBondContact O-N 2.87Å; E1008-T1011 WeakPolarHBondContact CA-OG1 3.5Å; E1008-T1011 PolarHBondContact O-N 2.78Å; E1008-T1011 PolarHBondContact O-OG1 3.4Å; E1008-Q1012 WeakPolarHBondContact O-CB 3.35Å; E1008-Q1012 VanDerWaalsContact O-CG 3.28Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.38Å; E1008-Q1012 PolarHBondContact O-N 2.86Å; E1008-Q1012 PolarHBondContact OE1-NE2 2.66Å
1009K91.6Very high85.2Confident118 Ų118103.7 Ų103.751%0.51351%0.508SS..Hα-helixtrans-68-22.2174.7-168.3173.6-173.7174.60112.7L1005 Q1006 L1007 R1013L1005-K1009 WeakPolarHBondContact O-CB 3.44Å; L1005-K1009 PolarHBondContact O-N 3.49Å; Q1006-K1009 CarbonylContact O-C 3.55Å; Q1006-K1009 PolarHBondContact O-N 3.43Å; L1007-K1009 VanDerWaalsContact C-N 3.3Å; L1007-K1009 PolarHBondContact O-N 2.94Å; K1009-R1013 VanDerWaalsContact O-CD 3.28Å; K1009-R1013 WeakPolarHBondContact O-CD 3.37Å; K1009-R1013 WeakPolarHBondContact O-CG 3.15Å; K1009-R1013 PolarHBondContact O-N 2.95Å
1010A84.6Confident84.2Confident43 Ų43105.5 Ų105.536%0.35551%0.509SS..Hα-helixtrans-81.9-44.5172.300000111.9Q1006 L1007 E1008 R1013 Q1014Q1006-A1010 WeakPolarHBondContact O-CB 3.22Å; Q1006-A1010 PolarHBondContact O-N 3.25Å; L1007-A1010 CarbonylContact O-C 3.57Å; L1007-A1010 WeakPolarHBondContact O-CA 3.33Å; L1007-A1010 WeakPolarHBondContact O-CB 3.42Å; L1007-A1010 PolarHBondContact O-N 3.37Å; E1008-A1010 PolarHBondContact O-N 2.87Å; A1010-R1013 WeakPolarHBondContact O-CA 3.5Å; A1010-R1013 WeakPolarHBondContact O-CB 3.49Å; A1010-R1013 PolarHBondContact O-N 3.24Å; A1010-Q1014 PolarHBondContact O-N 2.88Å
1011T83.9Confident83.1Confident59 Ų59104.8 Ų104.836%0.36251%0.511SS..Hα-helixtrans-63.4-46.517556.10000111.1L1007 E1008 R1013 Q1014 E1015L1007-T1011 PolarHBondContact O-N 3.19Å; L1007-T1011 PolarHBondContact O-OG1 3.42Å; E1008-T1011 WeakPolarHBondContact CA-OG1 3.5Å; E1008-T1011 PolarHBondContact O-N 2.78Å; E1008-T1011 PolarHBondContact O-OG1 3.4Å; T1011-R1013 PolarHBondContact O-N 3.1Å; T1011-R1013 VanDerWaalsContact O-N 3.09Å; T1011-Q1014 WeakPolarHBondContact O-CA 3.23Å; T1011-Q1014 WeakPolarHBondContact O-CB 3.37Å; T1011-Q1014 PolarHBondContact O-N 2.92Å; T1011-E1015 WeakPolarHBondContact O-CG 3.35Å; T1011-E1015 PolarHBondContact O-N 2.89Å
1012Q84.2Confident81.7Confident76 Ų76108.2 Ų108.236%0.35552%0.518SS..Hα-helixtrans-61.3-19.1173-70.8-17621.700113.5E1008 R1016E1008-Q1012 WeakPolarHBondContact O-CB 3.35Å; E1008-Q1012 VanDerWaalsContact O-CG 3.28Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.38Å; E1008-Q1012 PolarHBondContact O-N 2.86Å; E1008-Q1012 PolarHBondContact OE1-NE2 2.66Å; Q1012-R1016 PolarHBondContact O-NE 2.99Å; Q1012-R1016 PolarHBondContact O-NH2 3.42Å
1013R82.9Confident80.2Confident141 Ų141108.1 Ų108.153%0.53252%0.517SS..Hα-helixtrans-80.4-46.6169-80.7165.6171.8158.2-9.6110.3K1009 A1010 T1011 E1015 R1016 Y1017K1009-R1013 VanDerWaalsContact O-CD 3.28Å; K1009-R1013 WeakPolarHBondContact O-CD 3.37Å; K1009-R1013 WeakPolarHBondContact O-CG 3.15Å; K1009-R1013 PolarHBondContact O-N 2.95Å; A1010-R1013 WeakPolarHBondContact O-CA 3.5Å; A1010-R1013 WeakPolarHBondContact O-CB 3.49Å; A1010-R1013 PolarHBondContact O-N 3.24Å; T1011-R1013 PolarHBondContact O-N 3.1Å; T1011-R1013 VanDerWaalsContact O-N 3.09Å; R1013-E1015 VanDerWaalsContact C-N 3.35Å; R1013-E1015 PolarHBondContact O-N 3.17Å; R1013-R1016 CarbonylContact O-C 3.53Å; R1013-R1016 PolarHBondContact O-N 3.08Å; R1013-R1016 VanDerWaalsContact O-N 3.16Å; R1013-Y1017 VanDerWaalsContact O-CD2 3.24Å; R1013-Y1017 WeakPolarHBondContact O-CD2 3.08Å; R1013-Y1017 PolarHBondContact O-N 3.44Å
1014Q77.6Confident78.8Confident144 Ų144107.9 Ų107.967%0.67351%0.513SS*.Hα-helixtrans-59-43.3179-170.3174.94.800112A1010 T1011 Y1017 A1018A1010-Q1014 PolarHBondContact O-N 2.88Å; T1011-Q1014 WeakPolarHBondContact O-CA 3.23Å; T1011-Q1014 WeakPolarHBondContact O-CB 3.37Å; T1011-Q1014 PolarHBondContact O-N 2.92Å; Q1014-Y1017 PolarHBondContact O-N 2.94Å; Q1014-A1018 PolarHBondContact O-N 3.14Å
1015E77.8Confident77.2Confident120 Ų120107.1 Ų107.156%0.56151%0.513SS*.Hα-helixtrans-57.9-49.6171.8-69.7176.4153.600111.4T1011 R1013 Y1017 A1018 D1019T1011-E1015 WeakPolarHBondContact O-CG 3.35Å; T1011-E1015 PolarHBondContact O-N 2.89Å; R1013-E1015 VanDerWaalsContact C-N 3.35Å; R1013-E1015 PolarHBondContact O-N 3.17Å; E1015-Y1017 VanDerWaalsContact C-N 3.27Å; E1015-Y1017 PolarHBondContact O-N 2.9Å; E1015-A1018 WeakPolarHBondContact O-CA 3.19Å; E1015-A1018 WeakPolarHBondContact O-CB 3.09Å; E1015-A1018 PolarHBondContact O-N 3.04Å; E1015-D1019 PolarHBondContact O-N 3.09Å
1016R76Confident75.7Confident147 Ų147108 Ų10856%0.55551%0.514SS*.Hα-helixtrans-64.5-26.5176.6-80.7-179.4-75.7-179.5-12.7114Q1012 R1013 R1020Q1012-R1016 PolarHBondContact O-NE 2.99Å; Q1012-R1016 PolarHBondContact O-NH2 3.42Å; R1013-R1016 CarbonylContact O-C 3.53Å; R1013-R1016 PolarHBondContact O-N 3.08Å; R1013-R1016 VanDerWaalsContact O-N 3.16Å; R1016-R1020 WeakPolarHBondContact O-CB 3.32Å; R1016-R1020 PolarHBondContact O-N 3.35Å; R1016-R1020 VanDerWaalsContact O-N 3.12Å
1017Y73.6Confident74.7Confident171 Ų171109.2 Ų109.267%0.67152%0.518SS*.Hα-helixtrans-74.1-39.1169.7-85.6-73.9000111.8R1013 Q1014 E1015 S1021R1013-Y1017 VanDerWaalsContact O-CD2 3.24Å; R1013-Y1017 WeakPolarHBondContact O-CD2 3.08Å; R1013-Y1017 PolarHBondContact O-N 3.44Å; Q1014-Y1017 PolarHBondContact O-N 2.94Å; E1015-Y1017 VanDerWaalsContact C-N 3.27Å; E1015-Y1017 PolarHBondContact O-N 2.9Å; Y1017-S1021 VanDerWaalsContact O-CB 3.31Å; Y1017-S1021 WeakPolarHBondContact O-CB 3.47Å; Y1017-S1021 PolarHBondContact O-N 3.12Å
1018A69.9Low73.4Confident48 Ų48111 Ų11140%0.39752%0.517SS..Hα-helixtrans-63.7-49.5174.500000111.5Q1014 E1015 R1020 S1021 Q1022Q1014-A1018 PolarHBondContact O-N 3.14Å; E1015-A1018 WeakPolarHBondContact O-CA 3.19Å; E1015-A1018 WeakPolarHBondContact O-CB 3.09Å; E1015-A1018 PolarHBondContact O-N 3.04Å; A1018-R1020 PolarHBondContact O-N 3.28Å; A1018-S1021 WeakPolarHBondContact O-CB 3.27Å; A1018-S1021 PolarHBondContact O-N 3.26Å; A1018-S1021 VanDerWaalsContact O-N 3.15Å; A1018-Q1022 WeakPolarHBondContact O-CG 3.47Å; A1018-Q1022 PolarHBondContact O-N 3.11Å
1019D71.9Confident71.9Confident95 Ų95111.1 Ų111.151%0.50852%0.524SS..Hα-helixtrans-58.8-44.8175.8-74.9-11.7000111.8E1015 S1021 Q1022 L1023E1015-D1019 PolarHBondContact O-N 3.09Å; D1019-S1021 VanDerWaalsContact C-N 3.31Å; D1019-S1021 PolarHBondContact O-N 2.73Å; D1019-Q1022 PolarHBondContact O-N 2.86Å; D1019-L1023 WeakPolarHBondContact O-CB 3.35Å; D1019-L1023 PolarHBondContact O-N 3.24Å
1020R72.7Confident70.3Confident167 Ų167110.4 Ų110.463%0.6353%0.53SS*.Hα-helixtrans-63-38.2176.7-176.4173.7178.6168.30.7111.7R1016 A1018 E1024R1016-R1020 WeakPolarHBondContact O-CB 3.32Å; R1016-R1020 PolarHBondContact O-N 3.35Å; R1016-R1020 VanDerWaalsContact O-N 3.12Å; A1018-R1020 PolarHBondContact O-N 3.28Å; R1020-E1024 WeakPolarHBondContact O-CB 3.4Å; R1020-E1024 PolarHBondContact O-N 3.29Å
1021S68.4Low68.8Low67 Ų67113 Ų11347%0.46955%0.545SS..Hα-helixtrans-66.7-42.1175.5-170.40000111.9Y1017 A1018 D1019 E1024 M1025Y1017-S1021 VanDerWaalsContact O-CB 3.31Å; Y1017-S1021 WeakPolarHBondContact O-CB 3.47Å; Y1017-S1021 PolarHBondContact O-N 3.12Å; A1018-S1021 WeakPolarHBondContact O-CB 3.27Å; A1018-S1021 PolarHBondContact O-N 3.26Å; A1018-S1021 VanDerWaalsContact O-N 3.15Å; D1019-S1021 VanDerWaalsContact C-N 3.31Å; D1019-S1021 PolarHBondContact O-N 2.73Å; S1021-E1024 PolarHBondContact O-N 3.45Å; S1021-M1025 WeakPolarHBondContact O-CG 3.42Å; S1021-M1025 PolarHBondContact O-N 3.08Å
1022Q61Low66.9Low126 Ų126120.3 Ų120.359%0.58957%0.566SS**Hα-helixtrans-61.8-47.6173.4-70.2-173.440.700111.6A1018 D1019 E1024 M1025 E1026A1018-Q1022 WeakPolarHBondContact O-CG 3.47Å; A1018-Q1022 PolarHBondContact O-N 3.11Å; D1019-Q1022 PolarHBondContact O-N 2.86Å; Q1022-E1024 VanDerWaalsContact C-N 3.27Å; Q1022-E1024 PolarHBondContact O-N 2.99Å; Q1022-M1025 PolarHBondContact O-N 3.27Å; Q1022-E1026 WeakPolarHBondContact O-CB 3.36Å; Q1022-E1026 PolarHBondContact O-N 3.47Å
1023L62.9Low65.2Low92 Ų92121.3 Ų121.348%0.48258%0.579SS.*Hα-helixtrans-60.9-32.4174.8-98.2163.3000113.3D1019 K1027D1019-L1023 WeakPolarHBondContact O-CB 3.35Å; D1019-L1023 PolarHBondContact O-N 3.24Å; L1023-K1027 WeakPolarHBondContact O-CB 3.41Å; L1023-K1027 VanDerWaalsContact O-CG 3.3Å; L1023-K1027 WeakPolarHBondContact O-CG 3.47Å; L1023-K1027 PolarHBondContact O-N 2.75Å
1024E63.5Low63.4Low83 Ų83120 Ų12039%0.38859%0.592SS.*Hα-helixtrans-76.3-35.6176.3-153.9-179.8107.900111.9R1020 S1021 Q1022 R1028R1020-E1024 WeakPolarHBondContact O-CB 3.4Å; R1020-E1024 PolarHBondContact O-N 3.29Å; S1021-E1024 PolarHBondContact O-N 3.45Å; Q1022-E1024 VanDerWaalsContact C-N 3.27Å; Q1022-E1024 PolarHBondContact O-N 2.99Å; E1024-R1028 WeakPolarHBondContact O-CG 3.48Å; E1024-R1028 PolarHBondContact O-N 3.27Å; E1024-R1028 IonicContact OE1-CZ 3.44Å; E1024-R1028 IonicContact OE1-NH1 2.77Å; E1024-R1028 PolarHBondContact OE1-NH1 3.39Å; E1024-R1028 IonicContact OE1-NH2 2.72Å; E1024-R1028 PolarHBondContact OE1-NH2 3.27Å
1025M56.8Low61.7Low113 Ų113123.1 Ų123.156%0.55760%0.599SS**Hα-helixtrans-66-43.4169.1-72.2-157.3-68.500112S1021 Q1022 K1027 R1028 V1029S1021-M1025 WeakPolarHBondContact O-CG 3.42Å; S1021-M1025 PolarHBondContact O-N 3.08Å; Q1022-M1025 PolarHBondContact O-N 3.27Å; M1025-K1027 VanDerWaalsContact C-N 3.32Å; M1025-K1027 PolarHBondContact O-N 2.8Å; M1025-R1028 CarbonylContact O-C 3.5Å; M1025-R1028 WeakPolarHBondContact O-CA 3.32Å; M1025-R1028 WeakPolarHBondContact O-CB 3.5Å; M1025-R1028 PolarHBondContact O-N 2.65Å; M1025-R1028 VanDerWaalsContact O-N 3.08Å; M1025-V1029 WeakPolarHBondContact O-CG2 3.44Å; M1025-V1029 PolarHBondContact O-N 3.27Å
1026E62.9Low59.8Low119 Ų119126.6 Ų126.656%0.55662%0.615SS**Hα-helixtrans-61.6-40176.7-170.8178.9-15800111.5Q1022 V1029 T1030Q1022-E1026 WeakPolarHBondContact O-CB 3.36Å; Q1022-E1026 PolarHBondContact O-N 3.47Å; E1026-V1029 PolarHBondContact O-N 3.16Å; E1026-T1030 HydrophobicContact CG-CG2 4.5Å; E1026-T1030 WeakPolarHBondContact O-CB 3.45Å; E1026-T1030 WeakPolarHBondContact O-CG2 3.36Å; E1026-T1030 PolarHBondContact O-N 3.29Å; E1026-T1030 PolarHBondContact O-OG1 2.74Å
1027K67.1Low58.1Low140 Ų140128.5 Ų128.561%0.60964%0.635SS**Hα-helixtrans-63.4-39170.9-77173.6179.8177.60113L1023 M1025 V1029 T1030 S1031L1023-K1027 WeakPolarHBondContact O-CB 3.41Å; L1023-K1027 VanDerWaalsContact O-CG 3.3Å; L1023-K1027 WeakPolarHBondContact O-CG 3.47Å; L1023-K1027 PolarHBondContact O-N 2.75Å; M1025-K1027 VanDerWaalsContact C-N 3.32Å; M1025-K1027 PolarHBondContact O-N 2.8Å; K1027-V1029 VanDerWaalsContact C-N 3.33Å; K1027-V1029 PolarHBondContact O-N 3.48Å; K1027-T1030 WeakPolarHBondContact CA-OG1 3.47Å; K1027-T1030 PolarHBondContact O-OG1 3.1Å; K1027-S1031 WeakPolarHBondContact O-CB 3.49Å; K1027-S1031 PolarHBondContact O-N 2.93Å
1028R62.5Low56.3Low156 Ų156124 Ų12459%0.58964%0.641SS**Hα-helixtrans-66.9-31.2173.3-74.6179.2178.8103.78.1113E1024 M1025E1024-R1028 WeakPolarHBondContact O-CG 3.48Å; E1024-R1028 PolarHBondContact O-N 3.27Å; E1024-R1028 IonicContact OE1-CZ 3.44Å; E1024-R1028 IonicContact OE1-NH1 2.77Å; E1024-R1028 PolarHBondContact OE1-NH1 3.39Å; E1024-R1028 IonicContact OE1-NH2 2.72Å; E1024-R1028 PolarHBondContact OE1-NH2 3.27Å; M1025-R1028 CarbonylContact O-C 3.5Å; M1025-R1028 WeakPolarHBondContact O-CA 3.32Å; M1025-R1028 WeakPolarHBondContact O-CB 3.5Å; M1025-R1028 PolarHBondContact O-N 2.65Å; M1025-R1028 VanDerWaalsContact O-N 3.08Å
1029V57.8Low54.6Low109 Ų109126 Ų12666%0.66167%0.666SS**Hα-helixtrans-75.3-47.3176.2169.90000111.3M1025 E1026 K1027M1025-V1029 WeakPolarHBondContact O-CG2 3.44Å; M1025-V1029 PolarHBondContact O-N 3.27Å; E1026-V1029 PolarHBondContact O-N 3.16Å; K1027-V1029 VanDerWaalsContact C-N 3.33Å; K1027-V1029 PolarHBondContact O-N 3.48Å
1030T57.5Low52.8Low103 Ų103125.3 Ų125.363%0.63268%0.681SS**Hα-helixtrans-72.1-26.2-178.2490000113.7E1026 K1027 R1032E1026-T1030 HydrophobicContact CG-CG2 4.5Å; E1026-T1030 WeakPolarHBondContact O-CB 3.45Å; E1026-T1030 WeakPolarHBondContact O-CG2 3.36Å; E1026-T1030 PolarHBondContact O-N 3.29Å; E1026-T1030 PolarHBondContact O-OG1 2.74Å; K1027-T1030 WeakPolarHBondContact CA-OG1 3.47Å; K1027-T1030 PolarHBondContact O-OG1 3.1Å; T1030-R1032 PolarHBondContact O-N 3.34Å
1031S54Low51.1Low97 Ų97127.4 Ų127.468%0.67870%0.695SS**THydrogen-bonded Turntrans-81.514.6179.5-168.10000115K1027 P1033K1027-S1031 WeakPolarHBondContact O-CB 3.49Å; K1027-S1031 PolarHBondContact O-N 2.93Å; S1031-P1033 WeakPolarHBondContact O-CD 3.45Å
1032R45Very low49.6Very low212 Ų212134.4 Ų134.480%0.872%0.717SS**  trans-90.4113.5174.6-81.8-175163.7-175.9-3.1111.5T1030T1030-R1032 PolarHBondContact O-N 3.34Å
1033P47.9Very low48.6Very low97 Ų97133.6 Ų133.663%0.6373%0.725SS**  trans-73.9132.4-179.630-35000112.4S1031 Y1035S1031-P1033 WeakPolarHBondContact O-CD 3.45Å; P1033-Y1035 HydrophobicContact CB-CD2 4.27Å; P1033-Y1035 HydrophobicContact CB-CE2 3.72Å; P1033-Y1035 HydrophobicContact CG-CD2 4.33Å; P1033-Y1035 HydrophobicContact CG-CE2 3.72Å
1034S43.8Very low47.4Very low114 Ų114134.1 Ų134.180%0.79774%0.737SS**  trans-83.8112.8172.255.80000111
1035Y42.4Very low46.2Very low210 Ų210141.5 Ų141.582%0.82476%0.761SS**PPolyproline II helixtrans-101.3140.6173.4-75.7-75.5000112.1P1033P1033-Y1035 HydrophobicContact CB-CD2 4.27Å; P1033-Y1035 HydrophobicContact CB-CE2 3.72Å; P1033-Y1035 HydrophobicContact CG-CD2 4.33Å; P1033-Y1035 HydrophobicContact CG-CE2 3.72Å
1036Q38.5Very low45.5Very low193 Ų193144 Ų14490%0.90277%0.769SS**PPolyproline II helixtrans-90161-168.2-71165-67.200113.5
1037L40.8Very low44.4Very low186 Ų186144.9 Ų144.997%0.97477%0.773SS**PPolyproline II helixtrans-64.6129.5171.3-72.6158.7000111.3
1038G34.8Very low43.4Very low77 Ų77144.4 Ų144.479%0.79478%0.777SS**  trans-146121.1170.300000110
1039G34Very low42.3Very low89 Ų89150.4 Ų150.492%0.91881%0.808SS**  trans-75129.5-167.700000114.4
1040G35.3Very low41.5Very low81 Ų81152.5 Ų152.584%0.83582%0.816SS**  trans-85.9118.8174.400000113.4
1041K35.8Very low40.7Very low212 Ų212155.1 Ų155.192%0.92283%0.825SS**  trans-129.4100.7152.5-85.3-170.4175.9-179.10109.4
1042K38.1Very low40Very low213 Ų213158.3 Ų158.393%0.92683%0.833SS**  trans-102.4140.9153.5-79.6-171173.7-1760108.3
1043S38.8Very low39.7Very low109 Ų109155.2 Ų155.276%0.76284%0.835SS**  trans-93.3-154.1168.560.90000109.3
1044S38.2Very low39.2Very low104 Ų104158.8 Ų158.873%0.72785%0.848SS**  trans57.389.3175.252.60000116.6
1045R39.2Very low38.8Very low238 Ų238161.8 Ų161.890%0.89885%0.852SS**  37.7116.1121.4-71.7-179.3173168.2-3.7119.1
1046K40.3Very low38.6Very low166 Ų166158.4 Ų158.472%0.72285%0.854SS**  64.5143.6101.1-135.7-157.8166.2-152.70119
1047E40.4Very low38.6Very low137 Ų137155.7 Ų155.764%0.6485%0.85SS**  trans73.2135.3164.3-59.8163.4-179.100115.5
1048D45.8Very low38.4Very low130 Ų130153.2 Ų153.270%0.69584%0.84SS**  cis-161175.4-14-105.7-15.3000109.5
1049F40.2Very low38.7Very low282 Ų282160.1 Ų160.1100%1.23784%0.844SS**  trans79.60-178-64.5-90000117

Retrieved 1,049 of 1,049 residues in 894.7 ms (Link to these results)

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