A0A3Q0KNL7_SCHMA Loading...

Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A3Q0KNL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 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
1M64.2Low73.6Confident239 Ų239125 Ų125100%1.17762%0.619SS**  0155.20-66179.8179.600108.1
2L67.9Low73.3Confident96 Ų96118.5 Ų118.550%0.50360%0.595SS.*  trans-65.7137.6166.1-65.5174.7000109.6E6 K7L2-E6 HydrophobicContact CB-CB 4.12Å; L2-E6 HydrophobicContact CD2-CB 4.09Å; L2-K7 HydrophobicContact CB-CG 4.14Å; L2-K7 VanDerWaalsContact O-CE 3.29Å; L2-K7 WeakPolarHBondContact O-CE 3.4Å
3S79.3Confident72.7Confident55 Ų55111.5 Ų111.539%0.38556%0.562SS.*  trans-64.5159.3167.4640000111A5 E6 K7S3-A5 PolarHBondContact O-N 3.28Å; S3-E6 WeakPolarHBondContact CB-OE2 3.46Å; S3-E6 PolarHBondContact N-OE2 2.79Å; S3-E6 PolarHBondContact O-N 3.33Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.33Å; S3-E6 PolarHBondContact OG-N 2.75Å; S3-E6 PolarHBondContact OG-OE2 2.58Å; S3-K7 WeakPolarHBondContact O-CG 2.97Å; S3-K7 PolarHBondContact O-N 3.28Å
4D78.4Confident72.1Confident96 Ų96112.2 Ų112.251%0.51355%0.554SS.*Hα-helixtrans-65.3-26.5177.3-67.7-29000112.6K7 R8D4-K7 WeakPolarHBondContact OD1-CD 3.3Å; D4-K7 WeakPolarHBondContact OD1-CE 3.38Å; D4-K7 IonicContact OD1-NZ 2.77Å; D4-K7 PolarHBondContact OD1-NZ 3.36Å; D4-R8 WeakPolarHBondContact O-CB 3.48Å; D4-R8 WeakPolarHBondContact O-CD 3.31Å; D4-R8 WeakPolarHBondContact O-CG 3.26Å; D4-R8 PolarHBondContact O-N 2.86Å
5A73.5Confident71.6Confident71 Ų71110.3 Ų110.359%0.58758%0.575SS**Hα-helixtrans-63.6-40.7169.800000111.9S3 K9S3-A5 PolarHBondContact O-N 3.28Å; A5-K9 PolarHBondContact O-N 2.82Å
6E72Confident71.5Confident77 Ų77111.3 Ų111.336%0.3658%0.579SS.*Hα-helixtrans-73.1-39.9176.4-70.1163.9115.500112.9L2 S3 R8 K9L2-E6 HydrophobicContact CB-CB 4.12Å; L2-E6 HydrophobicContact CD2-CB 4.09Å; S3-E6 WeakPolarHBondContact CB-OE2 3.46Å; S3-E6 PolarHBondContact N-OE2 2.79Å; S3-E6 PolarHBondContact O-N 3.33Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.33Å; S3-E6 PolarHBondContact OG-N 2.75Å; S3-E6 PolarHBondContact OG-OE2 2.58Å; E6-R8 VanDerWaalsContact C-N 3.26Å; E6-R8 PolarHBondContact O-N 3.04Å; E6-K9 VanDerWaalsContact O-CB 3.28Å; E6-K9 WeakPolarHBondContact O-CB 3.19Å; E6-K9 PolarHBondContact O-N 3.21Å
7K77.3Confident71.9Confident100 Ų100105.8 Ų105.844%0.43555%0.554SS.*Hα-helixtrans-56-44.8171.5-64.5173.9-160.9162.40110.5L2 S3 D4 K9 Q10L2-K7 HydrophobicContact CB-CG 4.14Å; L2-K7 VanDerWaalsContact O-CE 3.29Å; L2-K7 WeakPolarHBondContact O-CE 3.4Å; S3-K7 WeakPolarHBondContact O-CG 2.97Å; S3-K7 PolarHBondContact O-N 3.28Å; D4-K7 WeakPolarHBondContact OD1-CD 3.3Å; D4-K7 WeakPolarHBondContact OD1-CE 3.38Å; D4-K7 IonicContact OD1-NZ 2.77Å; D4-K7 PolarHBondContact OD1-NZ 3.36Å; K7-K9 PolarHBondContact O-N 2.81Å; K7-Q10 WeakPolarHBondContact O-CB 3.49Å; K7-Q10 WeakPolarHBondContact O-CG 3.41Å; K7-Q10 PolarHBondContact O-N 3.02Å; K7-Q10 VanDerWaalsContact O-N 3.13Å
8R79.6Confident72.3Confident179 Ų179103.6 Ų103.668%0.67554%0.541SS*.Hα-helixtrans-64.7-15.9177.4-73.2171.6-173.7-172.23.4114.3D4 E6 Q10 I11D4-R8 WeakPolarHBondContact O-CB 3.48Å; D4-R8 WeakPolarHBondContact O-CD 3.31Å; D4-R8 WeakPolarHBondContact O-CG 3.26Å; D4-R8 PolarHBondContact O-N 2.86Å; E6-R8 VanDerWaalsContact C-N 3.26Å; E6-R8 PolarHBondContact O-N 3.04Å; R8-Q10 PolarHBondContact O-N 3.15Å; R8-I11 HydrophobicContact CG-CD1 4.4Å; R8-I11 WeakPolarHBondContact O-CB 3.5Å; R8-I11 PolarHBondContact O-N 2.65Å
9K72.4Confident72.8Confident155 Ų155103.4 Ų103.467%0.67454%0.54SS*.THydrogen-bonded Turntrans-63.1-19.9171.1-64.7175.5-178.4174.30113A5 E6 K7 I11A5-K9 PolarHBondContact O-N 2.82Å; E6-K9 VanDerWaalsContact O-CB 3.28Å; E6-K9 WeakPolarHBondContact O-CB 3.19Å; E6-K9 PolarHBondContact O-N 3.21Å; K7-K9 PolarHBondContact O-N 2.81Å; K9-I11 VanDerWaalsContact C-N 3.26Å
10Q71.4Confident73.4Confident163 Ų163100.6 Ų100.676%0.76252%0.524SS*.THydrogen-bonded Turntrans-70.5-22.6171.9-62.2-179.3-9.500112.5K7 R8 S12K7-Q10 WeakPolarHBondContact O-CB 3.49Å; K7-Q10 WeakPolarHBondContact O-CG 3.41Å; K7-Q10 PolarHBondContact O-N 3.02Å; K7-Q10 VanDerWaalsContact O-N 3.13Å; R8-Q10 PolarHBondContact O-N 3.15Å; Q10-S12 PolarHBondContact O-N 2.8Å
11I74.1Confident74.3Confident144 Ų14498.4 Ų98.474%0.73851%0.513SS*.SBendtrans-81.795.3173.2-52.8175.5000107.3R8 K9R8-I11 HydrophobicContact CG-CD1 4.4Å; R8-I11 WeakPolarHBondContact O-CB 3.5Å; R8-I11 PolarHBondContact O-N 2.65Å; K9-I11 VanDerWaalsContact C-N 3.26Å
12S69.8Low75.8Confident47 Ų4788 Ų8833%0.32946%0.463SS..  trans-138.3152.8-174.3-159.20000112.1Q10 R14 I16Q10-S12 PolarHBondContact O-N 2.8Å; S12-R14 PolarHBondContact OG-N 2.96Å; S12-I16 WeakPolarHBondContact O-CD1 3.45Å
13V65.9Low77.1Confident27 Ų2788.1 Ų88.116%0.16447%0.467CS..SBendtrans-73.3-17.3167.9-178.90000110.9G15 I16 A17 I66V13-G15 PolarHBondContact O-N 3.24Å; V13-I16 PolarHBondContact O-N 3.11Å; V13-A17 HydrophobicContact CG1-CB 4.08Å; V13-A17 PolarHBondContact O-N 2.97Å; V13-I66 HydrophobicContact CG2-CB 4.49Å; V13-I66 HydrophobicContact CG2-CD1 3.97Å; V13-I66 HydrophobicContact CG2-CG2 4.06Å
14R64.2Low77.8Confident122 Ų12287 Ų8746%0.4646%0.457SS..THydrogen-bonded Turntrans-58.5122173.9-67.2-179.2-178.9-177-1.2109.8S12 I16 E839S12-R14 PolarHBondContact OG-N 2.96Å; R14-I16 VanDerWaalsContact C-N 3.32Å; R14-E839 IonicContact CZ-OE1 3.07Å; R14-E839 VanDerWaalsContact CZ-OE1 3.24Å; R14-E839 IonicContact NH1-OE1 2.68Å; R14-E839 PolarHBondContact NH1-OE1 3.46Å; R14-E839 IonicContact NH2-OE1 3.85Å; R14-E839 PolarHBondContact NH2-OE1 2.87Å
15G63.9Low78.6Confident84 Ų8482.5 Ų82.587%0.86643%0.433SS*.THydrogen-bonded Turntrans85.2-7.3-178.300000115.5V13V13-G15 PolarHBondContact O-N 3.24Å
16I70.1Confident79.7Confident125 Ų12581.4 Ų81.464%0.64142%0.415SS*.THydrogen-bonded Turntrans-94.5-44.8171.2-57.4179.1000110.2S12 V13 R14 Q18S12-I16 WeakPolarHBondContact O-CD1 3.45Å; V13-I16 PolarHBondContact O-N 3.11Å; R14-I16 VanDerWaalsContact C-N 3.32Å; I16-Q18 PolarHBondContact O-N 3.47Å
17A78.8Confident80.9Confident19 Ų1981 Ų8116%0.15742%0.421CS..SBendtrans-67.5117.2177.900000111.3V13 P833 F834V13-A17 HydrophobicContact CG1-CB 4.08Å; V13-A17 PolarHBondContact O-N 2.97Å; A17-P833 HydrophobicContact CB-CB 3.65Å; A17-F834 WeakPolarHBondContact O-CB 3.25Å
18Q78.2Confident81.7Confident65 Ų6577.2 Ų77.230%0.30441%0.405SS..PPolyproline II helixtrans-84164.7-178.7-59.4-166.65100112.7I16 N24 D28 F834I16-Q18 PolarHBondContact O-N 3.47Å; Q18-N24 HydrophobicContact CB-CB 4.31Å; Q18-N24 VanDerWaalsContact OE1-CG 3.23Å; Q18-D28 PolarHBondContact NE2-OD1 3.48Å; Q18-D28 PolarHBondContact NE2-OD2 2.96Å; Q18-F834 WeakPolarHBondContact O-CD1 3.23Å
19L81.7Confident82.5Confident100 Ų10068.9 Ų68.952%0.52437%0.374SS..PPolyproline II helixtrans-66.3140167.1-75.8167.9000110.5N21 N24 F834L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.12Å; L19-N24 WeakPolarHBondContact O-CB 3.3Å; L19-N24 PolarHBondContact O-ND2 3.25Å; L19-F834 HydrophobicContact CD2-CD1 4.28Å; L19-F834 HydrophobicContact CD2-CD2 3.63Å; L19-F834 HydrophobicContact CD2-CE1 4.37Å; L19-F834 HydrophobicContact CD2-CE2 3.75Å; L19-F834 HydrophobicContact CD2-CG 3.92Å; L19-F834 HydrophobicContact CD2-CZ 4.12Å
20E85.6Confident83.7Confident47 Ų4764.2 Ų64.222%0.2236%0.356CS..SBendtrans-81.871.8-176.2-79.5152.3-170.900111.4H60 R64 I102E20-H60 WeakPolarHBondContact CG-CE1 3.48Å; E20-H60 WeakPolarHBondContact CG-ND1 3.4Å; E20-H60 IonicContact OE1-CE1 2.71Å; E20-H60 IonicContact OE1-CG 2.66Å; E20-H60 IonicContact OE1-ND1 3.96Å; E20-H60 PolarHBondContact OE1-ND1 3.22Å; E20-R64 VanDerWaalsContact CD-NH2 3.3Å; E20-R64 IonicContact OE1-CZ 3.98Å; E20-R64 VanDerWaalsContact OE1-CZ 3.32Å; E20-R64 IonicContact OE1-NH1 2.73Å; E20-R64 PolarHBondContact OE1-NH1 3.36Å; E20-R64 IonicContact OE1-NH2 3.5Å; E20-R64 PolarHBondContact OE1-NH2 2.93Å; E20-R64 IonicContact OE2-CZ 2.78Å; E20-R64 IonicContact OE2-NH1 3.42Å; E20-R64 IonicContact OE2-NH2 2.82Å; E20-R64 PolarHBondContact OE2-NH2 2.64Å; E20-I102 HydrophobicContact CB-CG2 3.89Å; E20-I102 HydrophobicContact CG-CG2 3.81Å
21N91.4Very high84.9Confident56 Ų5663.5 Ų63.530%0.29935%0.347SS..SBendtrans-129.1161.1178.572.368.4000112.2L19 T23 N24 L25L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.12Å; N21-T23 VanDerWaalsContact C-N 3.31Å; N21-T23 PolarHBondContact O-N 3.27Å; N21-T23 WeakPolarHBondContact OD1-CB 3.29Å; N21-T23 PolarHBondContact OD1-N 2.96Å; N21-N24 PolarHBondContact ND2-ND2 2.93Å; N21-N24 PolarHBondContact O-N 2.93Å; N21-N24 VanDerWaalsContact O-N 3.16Å; N21-N24 PolarHBondContact OD1-N 2.79Å; N21-L25 WeakPolarHBondContact O-CG 3.5Å; N21-L25 PolarHBondContact O-N 3.03Å
22V95.8Very high86Confident20 Ų2057 Ų5712%0.12131%0.313CS..Hα-helixtrans-56.6-37.8-174.9-175.90000113.1K26 A105 E108 A109V22-K26 HydrophobicContact CG1-CD 4.39Å; V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 WeakPolarHBondContact O-CE 3.5Å; V22-K26 VanDerWaalsContact O-CG 3.29Å; V22-K26 WeakPolarHBondContact O-CG 3.47Å; V22-K26 PolarHBondContact O-N 3.13Å; V22-A105 HydrophobicContact CG2-CB 4.28Å; V22-E108 HydrophobicContact CG1-CB 4.33Å; V22-E108 HydrophobicContact CG1-CG 4.29Å; V22-E108 HydrophobicContact CG2-CB 4.03Å; V22-E108 HydrophobicContact CG2-CG 4.28Å; V22-A109 HydrophobicContact CG1-CB 4.05Å
23T96Very high87.3Confident98 Ų9855 Ų5560%0.60130%0.299SS*.Hα-helixtrans-66.2-45.8178.6-58.10000111.5N21 S27N21-T23 VanDerWaalsContact C-N 3.31Å; N21-T23 PolarHBondContact O-N 3.27Å; N21-T23 WeakPolarHBondContact OD1-CB 3.29Å; N21-T23 PolarHBondContact OD1-N 2.96Å; T23-S27 PolarHBondContact O-N 2.94Å; T23-S27 VanDerWaalsContact O-N 3.07Å
24N94Very high88.8Confident33 Ų3357.4 Ų57.418%0.17631%0.308CS..Hα-helixtrans-68.9-45179.6-66.6-2.7000111Q18 L19 N21 K26 S27 D28Q18-N24 HydrophobicContact CB-CB 4.31Å; Q18-N24 VanDerWaalsContact OE1-CG 3.23Å; L19-N24 WeakPolarHBondContact O-CB 3.3Å; L19-N24 PolarHBondContact O-ND2 3.25Å; N21-N24 PolarHBondContact ND2-ND2 2.93Å; N21-N24 PolarHBondContact O-N 2.93Å; N21-N24 VanDerWaalsContact O-N 3.16Å; N21-N24 PolarHBondContact OD1-N 2.79Å; N24-K26 VanDerWaalsContact C-N 3.33Å; N24-K26 PolarHBondContact O-N 3.41Å; N24-S27 WeakPolarHBondContact O-CA 3.46Å; N24-S27 VanDerWaalsContact O-CB 3.3Å; N24-S27 WeakPolarHBondContact O-CB 3.47Å; N24-S27 PolarHBondContact O-N 3.08Å; N24-D28 PolarHBondContact O-N 2.67Å
25L95.3Very high90.4Very high1 Ų159.4 Ų59.41%0.00532%0.321CS..Hα-helixtrans-58.6-41.6177.2-72.2167.1000112.3N21 F29 T56 H60 A105 V106 A109N21-L25 WeakPolarHBondContact O-CG 3.5Å; N21-L25 PolarHBondContact O-N 3.03Å; L25-F29 VanDerWaalsContact O-CB 3.27Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 2.76Å; L25-T56 HydrophobicContact CD2-CG2 3.87Å; L25-H60 WeakPolarHBondContact CD2-NE2 3.43Å; L25-A105 HydrophobicContact CD1-CB 3.64Å; L25-A105 WeakPolarHBondContact CD1-O 3.43Å; L25-V106 HydrophobicContact CD1-CG2 3.93Å; L25-V106 HydrophobicContact CD2-CG2 4.17Å; L25-A109 HydrophobicContact CB-CB 4.07Å
26K96.9Very high91.8Very high47 Ų4760.4 Ų60.420%0.20431%0.306CS..Hα-helixtrans-66-36.5172.2-70.9-177.7-58-171.30112.8V22 N24 N30 A109 Q112 L113V22-K26 HydrophobicContact CG1-CD 4.39Å; V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 WeakPolarHBondContact O-CE 3.5Å; V22-K26 VanDerWaalsContact O-CG 3.29Å; V22-K26 WeakPolarHBondContact O-CG 3.47Å; V22-K26 PolarHBondContact O-N 3.13Å; N24-K26 VanDerWaalsContact C-N 3.33Å; N24-K26 PolarHBondContact O-N 3.41Å; K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3Å; K26-N30 PolarHBondContact O-ND2 2.93Å; K26-A109 HydrophobicContact CD-CB 4.45Å; K26-A109 HydrophobicContact CG-CB 3.64Å; K26-Q112 HydrophobicContact CD-CB 4.03Å; K26-L113 HydrophobicContact CB-CD1 4.37Å; K26-L113 HydrophobicContact CD-CD2 4.36Å; K26-L113 HydrophobicContact CD-CG 4.14Å; K26-L113 HydrophobicContact CG-CD1 4Å; K26-L113 HydrophobicContact CG-CD2 4.4Å; K26-L113 HydrophobicContact CG-CG 4.01Å
27S96Very high92.8Very high70 Ų7056.1 Ų56.149%0.4929%0.292SS..Hα-helixtrans-64.7-46.9177.6-168.70000111.2T23 N24 N30 R31T23-S27 PolarHBondContact O-N 2.94Å; T23-S27 VanDerWaalsContact O-N 3.07Å; N24-S27 WeakPolarHBondContact O-CA 3.46Å; N24-S27 VanDerWaalsContact O-CB 3.3Å; N24-S27 WeakPolarHBondContact O-CB 3.47Å; N24-S27 PolarHBondContact O-N 3.08Å; S27-N30 PolarHBondContact O-N 2.88Å; S27-R31 WeakPolarHBondContact O-CB 3.41Å; S27-R31 PolarHBondContact O-N 3.25Å
28D94.5Very high93.7Very high19 Ų1960.8 Ų60.810%0.10232%0.319CS..Hα-helixtrans-72.6-37.1-179-68.2-24000111.7Q18 N24 N30 R31 H32 T56Q18-D28 PolarHBondContact NE2-OD1 3.48Å; Q18-D28 PolarHBondContact NE2-OD2 2.96Å; N24-D28 PolarHBondContact O-N 2.67Å; D28-N30 PolarHBondContact O-N 2.85Å; D28-R31 WeakPolarHBondContact O-CB 3.46Å; D28-R31 PolarHBondContact O-N 2.77Å; D28-R31 VanDerWaalsContact O-N 3.16Å; D28-H32 PolarHBondContact O-CD2 2.94Å; D28-H32 PolarHBondContact O-N 2.67Å; D28-T56 HydrophobicContact CB-CG2 4.08Å
29F97.2Very high94.5Very high4 Ų460.4 Ų60.42%0.01832%0.316CS..Hα-helixtrans-57.3-49.3168.6178.4-85.9000112.1L25 R31 H32 L33 F49 A52 L53 T56 M110 L113 L115L25-F29 VanDerWaalsContact O-CB 3.27Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 2.76Å; F29-R31 VanDerWaalsContact C-N 3.27Å; F29-R31 PolarHBondContact O-N 3.23Å; F29-H32 PolarHBondContact O-N 3.43Å; F29-L33 HydrophobicContact CE1-CD2 4.31Å; F29-L33 WeakPolarHBondContact O-CB 3.23Å; F29-L33 PolarHBondContact O-N 2.7Å; F29-F49 HydrophobicContact CE1-CD1 4.33Å; F29-F49 WeakPolarHBondContact CE2-O 3.49Å; F29-F49 HydrophobicContact CZ-CB 4.16Å; F29-F49 AromaticContact CZ-CD1 3.86Å; F29-F49 HydrophobicContact CZ-CD1 3.86Å; F29-F49 HydrophobicContact CZ-CG 4.41Å; F29-A52 HydrophobicContact CD2-CB 3.99Å; F29-A52 HydrophobicContact CE2-CB 3.79Å; F29-A52 HydrophobicContact CZ-CB 4.13Å; F29-L53 HydrophobicContact CD2-CB 4.14Å; F29-L53 HydrophobicContact CE2-CB 3.97Å; F29-T56 WeakPolarHBondContact CA-OG1 3.44Å; F29-T56 PolarHBondContact N-OG1 2.79Å; F29-M110 HydrophobicContact CB-CE 4.24Å; F29-M110 HydrophobicContact CD2-CE 3.71Å; F29-M110 HydrophobicContact CD2-SD 3.87Å; F29-M110 HydrophobicContact CE2-CE 4.22Å; F29-M110 HydrophobicContact CE2-SD 3.75Å; F29-M110 HydrophobicContact CG-CE 3.96Å; F29-M110 HydrophobicContact CZ-SD 4.35Å; F29-L113 HydrophobicContact CB-CD1 4.46Å; F29-L113 HydrophobicContact CD1-CD1 3.51Å; F29-L113 HydrophobicContact CE1-CD1 3.94Å; F29-L113 HydrophobicContact CG-CD1 4.07Å; F29-L115 HydrophobicContact CE1-CD1 3.89Å; F29-L115 HydrophobicContact CE2-CD1 4.19Å; F29-L115 HydrophobicContact CZ-CD1 3.41Å; F29-L115 VanDerWaalsContact CZ-CD1 3.41Å
30N97.1Very high95.1Very high57 Ų5758.4 Ų58.431%0.30531%0.306SS..Hα-helixtrans-62.6-37.1176.5-85.9-91.2000111.3K26 S27 D28 H34K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3Å; K26-N30 PolarHBondContact O-ND2 2.93Å; S27-N30 PolarHBondContact O-N 2.88Å; D28-N30 PolarHBondContact O-N 2.85Å; N30-H34 WeakPolarHBondContact O-CB 3.44Å; N30-H34 PolarHBondContact O-N 3.47Å; N30-H34 VanDerWaalsContact O-N 3.07Å; N30-H34 PolarHBondContact O-ND1 3.28Å
31R96.4Very high95.3Very high148 Ų14866 Ų6656%0.55833%0.332SS*.Hα-helixtrans-60.5-51.4175.5-177-164.4178.5119.46.1111.3S27 D28 F29 H34 F35S27-R31 WeakPolarHBondContact O-CB 3.41Å; S27-R31 PolarHBondContact O-N 3.25Å; D28-R31 WeakPolarHBondContact O-CB 3.46Å; D28-R31 PolarHBondContact O-N 2.77Å; D28-R31 VanDerWaalsContact O-N 3.16Å; F29-R31 VanDerWaalsContact C-N 3.27Å; F29-R31 PolarHBondContact O-N 3.23Å; R31-H34 PolarHBondContact O-N 3.02Å; R31-F35 HydrophobicContact CB-CD2 4.44Å; R31-F35 HydrophobicContact CG-CD2 3.85Å; R31-F35 WeakPolarHBondContact O-CB 3.45Å; R31-F35 WeakPolarHBondContact O-CD2 3.28Å; R31-F35 PolarHBondContact O-N 3.34Å
32H97.1Very high95.3Very high8 Ų868.8 Ų68.84%0.03735%0.347CS..Iπ-helixtrans-64.8-41.5-179.5-65.6-59.7000111.8D28 F29 H34 D36 G37 A52 R55 T56 D59D28-H32 PolarHBondContact O-CD2 2.94Å; D28-H32 PolarHBondContact O-N 2.67Å; F29-H32 PolarHBondContact O-N 3.43Å; H32-H34 PolarHBondContact O-N 3.49Å; H32-D36 IonicContact CE1-OD2 3.77Å; H32-D36 IonicContact CG-OD2 2.82Å; H32-D36 IonicContact ND1-OD2 3.22Å; H32-D36 PolarHBondContact ND1-OD2 3.4Å; H32-D36 WeakPolarHBondContact O-CA 3.37Å; H32-D36 WeakPolarHBondContact O-CB 3.38Å; H32-D36 PolarHBondContact O-N 3.32Å; H32-G37 PolarHBondContact O-N 3.13Å; H32-A52 HydrophobicContact CB-CB 4.21Å; H32-R55 HydrophobicContact CB-CB 3.93Å; H32-R55 VanDerWaalsContact CG-CB 3.49Å; H32-T56 PolarHBondContact CD2-N 3.12Å; H32-D59 IonicContact CE1-OD2 3.9Å
33L97.7Very high95.3Very high6 Ų672.1 Ų72.13%0.03137%0.368CS..Iπ-helixtrans-58.7-48.6177.3-172.368.6000112.3F29 G37 V38 K39 A44 D48 F49 A52F29-L33 HydrophobicContact CE1-CD2 4.31Å; F29-L33 WeakPolarHBondContact O-CB 3.23Å; F29-L33 PolarHBondContact O-N 2.7Å; L33-G37 CarbonylContact O-C 3.55Å; L33-V38 PolarHBondContact O-N 3.14Å; L33-K39 HydrophobicContact CD1-CB 4.05Å; L33-K39 HydrophobicContact CG-CB 4.28Å; L33-K39 PolarHBondContact O-N 3.1Å; L33-A44 HydrophobicContact CD1-CB 3.96Å; L33-D48 HydrophobicContact CD1-CB 4.26Å; L33-F49 HydrophobicContact CD1-CD1 3.92Å; L33-F49 HydrophobicContact CD1-CE1 4.24Å; L33-F49 HydrophobicContact CD2-CD1 4.11Å; L33-F49 HydrophobicContact CD2-CE1 3.84Å; L33-A52 HydrophobicContact CB-CB 3.98Å; L33-A52 HydrophobicContact CD1-CB 4.24Å
34H97.8Very high95.3Very high77 Ų7768.4 Ų68.436%0.35635%0.347SS..Iπ-helixtrans-82.5-33-174.8-64.794.4000114.2N30 R31 H32 V38 K39N30-H34 WeakPolarHBondContact O-CB 3.44Å; N30-H34 PolarHBondContact O-N 3.47Å; N30-H34 VanDerWaalsContact O-N 3.07Å; N30-H34 PolarHBondContact O-ND1 3.28Å; R31-H34 PolarHBondContact O-N 3.02Å; H32-H34 PolarHBondContact O-N 3.49Å; H34-V38 WeakPolarHBondContact O-CA 3.17Å; H34-K39 WeakPolarHBondContact CA-O 3.47Å; H34-K39 PolarHBondContact CD2-O 3.02Å
35F96.4Very high95.4Very high164 Ų16470.3 Ų70.372%0.71936%0.36SS*.Iπ-helixtrans-106.4-31.2-172.8-60.8-65.9000114.9R31R31-F35 HydrophobicContact CB-CD2 4.44Å; R31-F35 HydrophobicContact CG-CD2 3.85Å; R31-F35 WeakPolarHBondContact O-CB 3.45Å; R31-F35 WeakPolarHBondContact O-CD2 3.28Å; R31-F35 PolarHBondContact O-N 3.34Å
36D93.3Very high95.3Very high105 Ų10572.8 Ų72.856%0.56138%0.377SS*.Iπ-helixtrans-94.9-41.1174.6-63.8-44000111.4H32H32-D36 IonicContact CE1-OD2 3.77Å; H32-D36 IonicContact CG-OD2 2.82Å; H32-D36 IonicContact ND1-OD2 3.22Å; H32-D36 PolarHBondContact ND1-OD2 3.4Å; H32-D36 WeakPolarHBondContact O-CA 3.37Å; H32-D36 WeakPolarHBondContact O-CB 3.38Å; H32-D36 PolarHBondContact O-N 3.32Å
37G92.2Very high95.2Very high34 Ų3472.5 Ų72.535%0.35138%0.378SS..SBendtrans-81.6-22.4176.200000114.5H32 L33 K39H32-G37 PolarHBondContact O-N 3.13Å; L33-G37 CarbonylContact O-C 3.55Å; G37-K39 PolarHBondContact O-N 3.31Å
38V96.5Very high95.3Very high118 Ų11870.5 Ų70.572%0.71536%0.362SS*.  trans55.340.3-173.7-160.20000111.6L33 H34L33-V38 PolarHBondContact O-N 3.14Å; H34-V38 WeakPolarHBondContact O-CA 3.17Å
39K96.4Very high95.4Very high57 Ų5771.1 Ų71.125%0.24836%0.364CS..  trans-118.8158.9178-62.1-54.2-169.781.90111.6L33 H34 G37 V43 A44 D48L33-K39 HydrophobicContact CD1-CB 4.05Å; L33-K39 HydrophobicContact CG-CB 4.28Å; L33-K39 PolarHBondContact O-N 3.1Å; H34-K39 WeakPolarHBondContact CA-O 3.47Å; H34-K39 PolarHBondContact CD2-O 3.02Å; G37-K39 PolarHBondContact O-N 3.31Å; K39-V43 HydrophobicContact CD-CG2 4.11Å; K39-V43 PolarHBondContact NZ-O 3.42Å; K39-A44 HydrophobicContact CB-CB 4.06Å; K39-A44 HydrophobicContact CG-CB 4.49Å; K39-D48 VanDerWaalsContact CE-OD1 3.27Å; K39-D48 WeakPolarHBondContact CE-OD1 3.36Å; K39-D48 HydrophobicContact CG-CB 4.14Å; K39-D48 IonicContact NZ-OD1 2.72Å; K39-D48 PolarHBondContact NZ-OD1 2.88Å; K39-D48 IonicContact NZ-OD2 2.69Å; K39-D48 PolarHBondContact NZ-OD2 2.89Å
40D92.8Very high95.4Very high57 Ų5771.6 Ų71.631%0.30537%0.365SS..  trans-118.8175.5158.17810.4000110N42 V43 A44D40-N42 PolarHBondContact O-N 2.78Å; D40-N42 WeakPolarHBondContact OD1-CA 3.21Å; D40-N42 WeakPolarHBondContact OD1-CB 3.47Å; D40-N42 PolarHBondContact OD1-N 2.71Å; D40-N42 PolarHBondContact OD1-ND2 2.86Å; D40-N42 VanDerWaalsContact OD1-ND2 3.08Å; D40-N42 PolarHBondContact OD2-ND2 3.07Å; D40-V43 PolarHBondContact O-N 2.96Å; D40-V43 VanDerWaalsContact O-N 3.15Å; D40-V43 PolarHBondContact OD1-N 3.27Å; D40-A44 VanDerWaalsContact O-CB 3.24Å; D40-A44 WeakPolarHBondContact O-CB 3.41Å; D40-A44 PolarHBondContact O-N 2.92Å
41R90.2Very high95.4Very high206 Ų20672.5 Ų72.578%0.77737%0.368SS*.THydrogen-bonded Turntrans-58.6-14.1179.572.5178.4-172.3-172.4-1.1115.4
42N92Very high95.5Very high115 Ų11565.7 Ų65.762%0.61534%0.343SS*.THydrogen-bonded Turntrans-94.2-17.3-176.5-41.5-67.4000111.8D40D40-N42 PolarHBondContact O-N 2.78Å; D40-N42 WeakPolarHBondContact OD1-CA 3.21Å; D40-N42 WeakPolarHBondContact OD1-CB 3.47Å; D40-N42 PolarHBondContact OD1-N 2.71Å; D40-N42 PolarHBondContact OD1-ND2 2.86Å; D40-N42 VanDerWaalsContact OD1-ND2 3.08Å; D40-N42 PolarHBondContact OD2-ND2 3.07Å
43V94.9Very high95.5Very high91 Ų9165.3 Ų65.355%0.55234%0.341SS*.THydrogen-bonded Turntrans-130.62.1-178.1-61.30000114.3K39 D40K39-V43 HydrophobicContact CD-CG2 4.11Å; K39-V43 PolarHBondContact NZ-O 3.42Å; D40-V43 PolarHBondContact O-N 2.96Å; D40-V43 VanDerWaalsContact O-N 3.15Å; D40-V43 PolarHBondContact OD1-N 3.27Å
44A96.3Very high95.5Very high19 Ų1965 Ų6516%0.15734%0.34CS..  trans-77.8144170.400000111.6L33 K39 D40 D48 F49L33-A44 HydrophobicContact CD1-CB 3.96Å; K39-A44 HydrophobicContact CB-CB 4.06Å; K39-A44 HydrophobicContact CG-CB 4.49Å; D40-A44 VanDerWaalsContact O-CB 3.24Å; D40-A44 WeakPolarHBondContact O-CB 3.41Å; D40-A44 PolarHBondContact O-N 2.92Å; A44-D48 HydrophobicContact CB-CB 4.12Å; A44-F49 HydrophobicContact CB-CD1 3.98Å; A44-F49 HydrophobicContact CB-CE1 3.41Å; A44-F49 VanDerWaalsContact CB-CE1 3.41Å; A44-F49 HydrophobicContact CB-CE2 4.2Å; A44-F49 HydrophobicContact CB-CZ 3.53Å
45T95.6Very high95.5Very high73 Ų7365.4 Ų65.445%0.44834%0.338SS..  trans-106.4168.2172.165.70000110.1L47 D48 F49T45-L47 PolarHBondContact O-N 2.92Å; T45-L47 VanDerWaalsContact O-N 3.11Å; T45-L47 PolarHBondContact OG1-N 2.77Å; T45-D48 WeakPolarHBondContact CB-OD2 3.5Å; T45-D48 PolarHBondContact N-OD2 2.79Å; T45-D48 WeakPolarHBondContact O-CB 3.41Å; T45-D48 PolarHBondContact O-N 2.79Å; T45-D48 PolarHBondContact OG1-N 3.39Å; T45-D48 PolarHBondContact OG1-OD2 2.72Å; T45-F49 WeakPolarHBondContact O-CD2 3.25Å; T45-F49 PolarHBondContact O-N 3.14Å
46S94.9Very high95.5Very high54 Ų5457.7 Ų57.738%0.37830%0.304SS..Hα-helixtrans-55.3-28.6173.4-420000113.1Y50S46-Y50 WeakPolarHBondContact O-CB 3.36Å; S46-Y50 PolarHBondContact O-N 2.77Å
47L94.7Very high95.6Very high41 Ų4152.7 Ų52.722%0.21528%0.277CS..Hα-helixtrans-71.4-41173.3-177.164.2000112.2T45 Y50 Q51 M123 F183T45-L47 PolarHBondContact O-N 2.92Å; T45-L47 VanDerWaalsContact O-N 3.11Å; T45-L47 PolarHBondContact OG1-N 2.77Å; L47-Y50 HydrophobicContact CD1-CD1 4.25Å; L47-Y50 PolarHBondContact O-N 2.81Å; L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 3.19Å; L47-M123 HydrophobicContact CB-CE 3.86Å; L47-M123 HydrophobicContact CD1-CE 4.11Å; L47-F183 HydrophobicContact CD1-CB 4.37Å; L47-F183 HydrophobicContact CD2-CB 4.2Å; L47-F183 HydrophobicContact CD2-CD1 3.82Å; L47-F183 HydrophobicContact CD2-CD2 4.41Å; L47-F183 HydrophobicContact CD2-CE1 4.28Å; L47-F183 HydrophobicContact CD2-CG 3.88Å
48D96.8Very high95.8Very high28 Ų2852.1 Ų52.115%0.1527%0.265CS..Hα-helixtrans-65.1-41.9175.3-57.5-80.3000110.9L33 K39 A44 T45 Q51 A52L33-D48 HydrophobicContact CD1-CB 4.26Å; K39-D48 VanDerWaalsContact CE-OD1 3.27Å; K39-D48 WeakPolarHBondContact CE-OD1 3.36Å; K39-D48 HydrophobicContact CG-CB 4.14Å; K39-D48 IonicContact NZ-OD1 2.72Å; K39-D48 PolarHBondContact NZ-OD1 2.88Å; K39-D48 IonicContact NZ-OD2 2.69Å; K39-D48 PolarHBondContact NZ-OD2 2.89Å; A44-D48 HydrophobicContact CB-CB 4.12Å; T45-D48 WeakPolarHBondContact CB-OD2 3.5Å; T45-D48 PolarHBondContact N-OD2 2.79Å; T45-D48 WeakPolarHBondContact O-CB 3.41Å; T45-D48 PolarHBondContact O-N 2.79Å; T45-D48 PolarHBondContact OG1-N 3.39Å; T45-D48 PolarHBondContact OG1-OD2 2.72Å; D48-Q51 PolarHBondContact O-N 3.4Å; D48-A52 PolarHBondContact O-N 2.88Å
49F97.7Very high95.6Very high32 Ų3250 Ų5014%0.1425%0.25CC..Hα-helixtrans-64-44.5175-64.1-44.8000112F29 L33 A44 T45 Q51 A52 L53 L115 L120F29-F49 HydrophobicContact CE1-CD1 4.33Å; F29-F49 WeakPolarHBondContact CE2-O 3.49Å; F29-F49 HydrophobicContact CZ-CB 4.16Å; F29-F49 AromaticContact CZ-CD1 3.86Å; F29-F49 HydrophobicContact CZ-CD1 3.86Å; F29-F49 HydrophobicContact CZ-CG 4.41Å; L33-F49 HydrophobicContact CD1-CD1 3.92Å; L33-F49 HydrophobicContact CD1-CE1 4.24Å; L33-F49 HydrophobicContact CD2-CD1 4.11Å; L33-F49 HydrophobicContact CD2-CE1 3.84Å; A44-F49 HydrophobicContact CB-CD1 3.98Å; A44-F49 HydrophobicContact CB-CE1 3.41Å; A44-F49 VanDerWaalsContact CB-CE1 3.41Å; A44-F49 HydrophobicContact CB-CE2 4.2Å; A44-F49 HydrophobicContact CB-CZ 3.53Å; T45-F49 WeakPolarHBondContact O-CD2 3.25Å; T45-F49 PolarHBondContact O-N 3.14Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 2.91Å; F49-A52 PolarHBondContact O-N 3.36Å; F49-L53 WeakPolarHBondContact O-CB 3.15Å; F49-L53 PolarHBondContact O-N 2.88Å; F49-L115 HydrophobicContact CB-CD1 4.32Å; F49-L115 HydrophobicContact CD1-CD1 4.19Å; F49-L115 HydrophobicContact CD1-CD2 4.42Å; F49-L115 HydrophobicContact CD2-CD2 3.7Å; F49-L115 HydrophobicContact CE1-CD2 4.49Å; F49-L115 HydrophobicContact CE2-CD2 3.81Å; F49-L115 HydrophobicContact CG-CD1 4.17Å; F49-L115 HydrophobicContact CG-CD2 4.04Å; F49-L115 HydrophobicContact CZ-CD2 4.21Å; F49-L120 HydrophobicContact CB-CD1 4.46Å; F49-L120 HydrophobicContact CB-CD2 3.74Å
50Y97.3Very high95.4Very high14 Ų1447.9 Ų47.96%0.05524%0.241CC..Hα-helixtrans-58.8-43.8173.5161.8-104000111.6S46 L47 A52 L53 A54 L93 L120 M123 E124 P186 W187S46-Y50 WeakPolarHBondContact O-CB 3.36Å; S46-Y50 PolarHBondContact O-N 2.77Å; L47-Y50 HydrophobicContact CD1-CD1 4.25Å; L47-Y50 PolarHBondContact O-N 2.81Å; Y50-A52 PolarHBondContact O-N 3.41Å; Y50-L53 PolarHBondContact O-N 3.36Å; Y50-A54 HydrophobicContact CE2-CB 4.26Å; Y50-A54 WeakPolarHBondContact O-CB 3.49Å; Y50-A54 PolarHBondContact O-N 2.68Å; Y50-L93 HydrophobicContact CD2-CD2 4.16Å; Y50-L93 HydrophobicContact CE2-CD2 4.02Å; Y50-L120 VanDerWaalsContact CD2-O 3.27Å; Y50-L120 WeakPolarHBondContact CD2-O 3.37Å; Y50-M123 HydrophobicContact CD2-CB 4.44Å; Y50-M123 HydrophobicContact CG-CB 4.07Å; Y50-E124 HydrophobicContact CE2-CB 3.79Å; Y50-E124 HydrophobicContact CE2-CG 4.31Å; Y50-E124 WeakPolarHBondContact OH-CG 3.26Å; Y50-P186 HydrophobicContact CE1-CG 4.33Å; Y50-W187 PolarHBondContact OH-NE1 3.16Å
51Q96.7Very high95.4Very high76 Ų7645.2 Ų45.236%0.35523%0.226SC..Hα-helixtrans-65.5-39178-73.6-172.69.500112.6L47 D48 F49 R55 F183L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 3.19Å; D48-Q51 PolarHBondContact O-N 3.4Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 2.91Å; Q51-R55 WeakPolarHBondContact O-CB 3.44Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.44Å; Q51-R55 PolarHBondContact O-N 3.44Å; Q51-F183 PolarHBondContact NE2-O 2.8Å
52A97.9Very high95.5Very high4 Ų436.8 Ų36.83%0.03320%0.198CC..Hα-helixtrans-64-41.7173.800000112.1F29 H32 L33 D48 F49 Y50 R55 T56F29-A52 HydrophobicContact CD2-CB 3.99Å; F29-A52 HydrophobicContact CE2-CB 3.79Å; F29-A52 HydrophobicContact CZ-CB 4.13Å; H32-A52 HydrophobicContact CB-CB 4.21Å; L33-A52 HydrophobicContact CB-CB 3.98Å; L33-A52 HydrophobicContact CD1-CB 4.24Å; D48-A52 PolarHBondContact O-N 2.88Å; F49-A52 PolarHBondContact O-N 3.36Å; Y50-A52 PolarHBondContact O-N 3.41Å; A52-R55 PolarHBondContact O-N 2.9Å; A52-T56 PolarHBondContact O-N 3.1Å; A52-T56 PolarHBondContact O-OG1 3.32Å
53L98.1Very high95.5Very high1 Ų132.1 Ų32.11%0.00518%0.175CC..Hα-helixtrans-64-48.7174.617457.2000112.1F29 F49 Y50 R55 T56 V57 L93 V106 M110 I117 L120F29-L53 HydrophobicContact CD2-CB 4.14Å; F29-L53 HydrophobicContact CE2-CB 3.97Å; F49-L53 WeakPolarHBondContact O-CB 3.15Å; F49-L53 PolarHBondContact O-N 2.88Å; Y50-L53 PolarHBondContact O-N 3.36Å; L53-R55 VanDerWaalsContact C-N 3.27Å; L53-R55 PolarHBondContact O-N 3.31Å; L53-T56 WeakPolarHBondContact O-CB 3.28Å; L53-T56 PolarHBondContact O-N 2.99Å; L53-T56 VanDerWaalsContact O-N 3.1Å; L53-V57 HydrophobicContact CD1-CG2 4.06Å; L53-V57 PolarHBondContact O-N 3.07Å; L53-L93 HydrophobicContact CD2-CD1 4.47Å; L53-L93 HydrophobicContact CD2-CD2 3.85Å; L53-L93 HydrophobicContact CG-CD1 4.17Å; L53-L93 HydrophobicContact CG-CD2 4.26Å; L53-V106 HydrophobicContact CD1-CG1 3.52Å; L53-M110 HydrophobicContact CD1-CE 4.35Å; L53-M110 HydrophobicContact CD1-SD 4.17Å; L53-M110 HydrophobicContact CD2-CG 4.48Å; L53-M110 HydrophobicContact CD2-SD 4.41Å; L53-I117 HydrophobicContact CD2-CD1 3.56Å; L53-L120 HydrophobicContact CD2-CB 4.04Å; L53-L120 HydrophobicContact CD2-CD1 3.91Å
54A97.7Very high95.4Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-60-36.8177.700000111.9Y50 W58 P186 W187Y50-A54 HydrophobicContact CE2-CB 4.26Å; Y50-A54 WeakPolarHBondContact O-CB 3.49Å; Y50-A54 PolarHBondContact O-N 2.68Å; A54-W58 WeakPolarHBondContact O-CB 3.45Å; A54-W58 PolarHBondContact O-N 2.75Å; A54-P186 HydrophobicContact CB-CB 3.84Å; A54-P186 HydrophobicContact CB-CG 3.64Å; A54-W187 HydrophobicContact CB-CH2 4.15Å; A54-W187 HydrophobicContact CB-CZ2 3.64Å
55R96.2Very high95.3Very high84 Ų8427.8 Ų27.832%0.31714%0.144SC..Hα-helixtrans-66.6-42.8172.2-74.9-77.7171.3-111.7-7.9112.8H32 Q51 A52 L53 V57 W58 D59 P186H32-R55 HydrophobicContact CB-CB 3.93Å; H32-R55 VanDerWaalsContact CG-CB 3.49Å; Q51-R55 WeakPolarHBondContact O-CB 3.44Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.44Å; Q51-R55 PolarHBondContact O-N 3.44Å; A52-R55 PolarHBondContact O-N 2.9Å; L53-R55 VanDerWaalsContact C-N 3.27Å; L53-R55 PolarHBondContact O-N 3.31Å; R55-V57 PolarHBondContact O-N 3.06Å; R55-W58 WeakPolarHBondContact O-CB 3.32Å; R55-W58 PolarHBondContact O-N 2.85Å; R55-D59 PolarHBondContact O-N 3.03Å; R55-D59 VanDerWaalsContact O-N 3.08Å; R55-P186 PolarHBondContact NH1-O 2.97Å
56T96.5Very high95.1Very high2 Ų227.3 Ų27.31%0.01214%0.139CC..Hα-helixtrans-57-50.9175.8-51.70000110.9L25 D28 F29 H32 A52 L53 W58 D59 H60L25-T56 HydrophobicContact CD2-CG2 3.87Å; D28-T56 HydrophobicContact CB-CG2 4.08Å; F29-T56 WeakPolarHBondContact CA-OG1 3.44Å; F29-T56 PolarHBondContact N-OG1 2.79Å; H32-T56 PolarHBondContact CD2-N 3.12Å; A52-T56 PolarHBondContact O-N 3.1Å; A52-T56 PolarHBondContact O-OG1 3.32Å; L53-T56 WeakPolarHBondContact O-CB 3.28Å; L53-T56 PolarHBondContact O-N 2.99Å; L53-T56 VanDerWaalsContact O-N 3.1Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 3.42Å; T56-D59 PolarHBondContact O-N 3.33Å; T56-H60 PolarHBondContact O-CD2 2.81Å
57V96.6Very high94.9Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-67.7-33.9178.5173.70000111.7L53 R55 D59 H60 L61 L93 T96 M97 I102 V106 W187L53-V57 HydrophobicContact CD1-CG2 4.06Å; L53-V57 PolarHBondContact O-N 3.07Å; R55-V57 PolarHBondContact O-N 3.06Å; V57-D59 PolarHBondContact O-N 3.48Å; V57-H60 PolarHBondContact O-N 2.79Å; V57-L61 PolarHBondContact O-N 2.96Å; V57-L93 HydrophobicContact CB-CD1 4.23Å; V57-L93 HydrophobicContact CG1-CD1 4.33Å; V57-L93 HydrophobicContact CG2-CD1 3.89Å; V57-T96 HydrophobicContact CG1-CG2 3.48Å; V57-T96 VanDerWaalsContact CG1-CG2 3.48Å; V57-M97 HydrophobicContact CG1-CG 3.9Å; V57-M97 HydrophobicContact CG2-CG 3.8Å; V57-M97 HydrophobicContact CG2-SD 3.94Å; V57-I102 HydrophobicContact CG1-CD1 4.26Å; V57-I102 HydrophobicContact CG2-CD1 4.14Å; V57-V106 HydrophobicContact CG2-CG2 4.4Å; V57-W187 HydrophobicContact CB-CH2 3.93Å; V57-W187 HydrophobicContact CB-CZ3 4.4Å; V57-W187 HydrophobicContact CG1-CH2 3.73Å; V57-W187 HydrophobicContact CG1-CZ3 4.02Å
58W95.1Very high94.9Very high22 Ų2223.9 Ų23.98%0.08312%0.115CC..Hα-helixtrans-61.3-39.6175.2170.4-84.6000112.9A54 R55 T56 H60 L61 C62 W65 W187 K189 P228A54-W58 WeakPolarHBondContact O-CB 3.45Å; A54-W58 PolarHBondContact O-N 2.75Å; R55-W58 WeakPolarHBondContact O-CB 3.32Å; R55-W58 PolarHBondContact O-N 2.85Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 3.42Å; W58-H60 PolarHBondContact O-N 2.69Å; W58-L61 CarbonylContact O-C 3.54Å; W58-L61 PolarHBondContact O-N 2.91Å; W58-L61 VanDerWaalsContact O-N 3.13Å; W58-C62 WeakPolarHBondContact O-CB 3.48Å; W58-C62 PolarHBondContact O-N 2.91Å; W58-W65 AromaticContact CH2-CZ3 3.87Å; W58-W65 HydrophobicContact CH2-CZ3 3.87Å; W58-W65 HydrophobicContact CZ2-CZ3 4.1Å; W58-W187 HydrophobicContact CB-CZ3 4.37Å; W58-W187 HydrophobicContact CE3-CE3 4.15Å; W58-W187 VanDerWaalsContact CZ3-C 3.49Å; W58-K189 HydrophobicContact CH2-CB 4.33Å; W58-K189 HydrophobicContact CZ2-CB 4.41Å; W58-P228 HydrophobicContact CE3-CG 4.1Å; W58-P228 HydrophobicContact CH2-CG 4Å; W58-P228 VanDerWaalsContact CZ3-CD 3.42Å; W58-P228 HydrophobicContact CZ3-CG 3.5Å; W58-P228 VanDerWaalsContact CZ3-CG 3.5Å
59D93Very high94.7Very high75 Ų7524.9 Ų24.940%0.40112%0.119SC..Hα-helixtrans-68.9-35.3-178.1-87.712.4000112.5H32 R55 T56 V57 L61 S63H32-D59 IonicContact CE1-OD2 3.9Å; R55-D59 PolarHBondContact O-N 3.03Å; R55-D59 VanDerWaalsContact O-N 3.08Å; T56-D59 PolarHBondContact O-N 3.33Å; V57-D59 PolarHBondContact O-N 3.48Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 2.71Å; D59-S63 WeakPolarHBondContact O-CB 3.33Å; D59-S63 PolarHBondContact O-N 3.18Å; D59-S63 VanDerWaalsContact O-N 3.17Å; D59-S63 PolarHBondContact O-OG 3.03Å
60H91.9Very high94.3Very high12 Ų1228.6 Ų28.66%0.05614%0.136CC..Hα-helixtrans-65-33.2169.7-72.8-74.6000113.2E20 L25 T56 V57 W58 R64 V100 I102E20-H60 WeakPolarHBondContact CG-CE1 3.48Å; E20-H60 WeakPolarHBondContact CG-ND1 3.4Å; E20-H60 IonicContact OE1-CE1 2.71Å; E20-H60 IonicContact OE1-CG 2.66Å; E20-H60 IonicContact OE1-ND1 3.96Å; E20-H60 PolarHBondContact OE1-ND1 3.22Å; L25-H60 WeakPolarHBondContact CD2-NE2 3.43Å; T56-H60 PolarHBondContact O-CD2 2.81Å; V57-H60 PolarHBondContact O-N 2.79Å; W58-H60 PolarHBondContact O-N 2.69Å; H60-R64 PolarHBondContact O-NH1 2.85Å; H60-V100 HydrophobicContact CB-CG1 4.35Å; H60-I102 HydrophobicContact CB-CD1 4.43Å
61L93.3Very high94Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-77.9-47.1176.3-179.358000112.5V57 W58 D59 S63 R64 W65 T96 V100 P228 P230 C237V57-L61 PolarHBondContact O-N 2.96Å; W58-L61 CarbonylContact O-C 3.54Å; W58-L61 PolarHBondContact O-N 2.91Å; W58-L61 VanDerWaalsContact O-N 3.13Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 2.71Å; L61-S63 PolarHBondContact O-N 2.94Å; L61-R64 WeakPolarHBondContact O-CB 3.42Å; L61-R64 PolarHBondContact O-N 3.5Å; L61-W65 PolarHBondContact O-N 2.99Å; L61-T96 HydrophobicContact CB-CG2 4.17Å; L61-T96 HydrophobicContact CD1-CG2 4.46Å; L61-T96 HydrophobicContact CD2-CG2 3.74Å; L61-T96 HydrophobicContact CG-CG2 4.35Å; L61-V100 HydrophobicContact CD1-CG2 4.22Å; L61-P228 HydrophobicContact CD1-CB 4.4Å; L61-P228 HydrophobicContact CD2-CB 3.75Å; L61-P228 HydrophobicContact CD2-CG 3.43Å; L61-P228 VanDerWaalsContact CD2-CG 3.43Å; L61-P228 HydrophobicContact CG-CB 3.89Å; L61-P228 HydrophobicContact CG-CG 3.95Å; L61-P230 HydrophobicContact CD1-CB 3.69Å; L61-P230 HydrophobicContact CD1-CG 4.1Å; L61-C237 HydrophobicContact CD1-CB 4.31Å
62C92.3Very high93.8Very high29 Ų2926.9 Ų26.920%0.19613%0.128CC..Hα-helixtrans-55.9-41.2179.3-176.40000111.2W58 R64 W65 I66W58-C62 WeakPolarHBondContact O-CB 3.48Å; W58-C62 PolarHBondContact O-N 2.91Å; C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact O-N 3.36Å; C62-W65 WeakPolarHBondContact O-CB 3.49Å; C62-W65 PolarHBondContact O-N 2.82Å; C62-I66 WeakPolarHBondContact O-CG1 3.28Å; C62-I66 PolarHBondContact O-N 2.96Å
63S91Very high93.3Very high17 Ų1732 Ų3212%0.11915%0.151CC..Hα-helixtrans-65.9-30.9177.8-57.60000113.3D59 L61 R67 P833D59-S63 WeakPolarHBondContact O-CB 3.33Å; D59-S63 PolarHBondContact O-N 3.18Å; D59-S63 VanDerWaalsContact O-N 3.17Å; D59-S63 PolarHBondContact O-OG 3.03Å; L61-S63 PolarHBondContact O-N 2.94Å; S63-R67 WeakPolarHBondContact O-CG 3.4Å; S63-P833 VanDerWaalsContact CB-CB 3.47Å
64R93.2Very high92.8Very high7 Ų737.8 Ų37.83%0.02617%0.173CC..Hα-helixtrans-76.5-38.5171.5-69.5172.5169.372.7-2.9112E20 H60 L61 C62 R67 S68 N235 C237 P833E20-R64 VanDerWaalsContact CD-NH2 3.3Å; E20-R64 IonicContact OE1-CZ 3.98Å; E20-R64 VanDerWaalsContact OE1-CZ 3.32Å; E20-R64 IonicContact OE1-NH1 2.73Å; E20-R64 PolarHBondContact OE1-NH1 3.36Å; E20-R64 IonicContact OE1-NH2 3.5Å; E20-R64 PolarHBondContact OE1-NH2 2.93Å; E20-R64 IonicContact OE2-CZ 2.78Å; E20-R64 IonicContact OE2-NH1 3.42Å; E20-R64 IonicContact OE2-NH2 2.82Å; E20-R64 PolarHBondContact OE2-NH2 2.64Å; H60-R64 PolarHBondContact O-NH1 2.85Å; L61-R64 WeakPolarHBondContact O-CB 3.42Å; L61-R64 PolarHBondContact O-N 3.5Å; C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact O-N 3.36Å; R64-R67 PolarHBondContact O-N 2.68Å; R64-S68 WeakPolarHBondContact O-CB 3.35Å; R64-S68 PolarHBondContact O-N 3.21Å; R64-S68 PolarHBondContact O-OG 3.36Å; R64-N235 HydrophobicContact CG-CB 4.35Å; R64-N235 PolarHBondContact NE-OD1 3.35Å; R64-N235 PolarHBondContact NH2-OD1 3.38Å; R64-C237 HydrophobicContact CB-CB 4.36Å; R64-P833 HydrophobicContact CB-CG 4.43Å; R64-P833 HydrophobicContact CG-CG 3.49Å; R64-P833 VanDerWaalsContact CG-CG 3.49Å
65W95.3Very high92.4Very high12 Ų1240.9 Ų40.95%0.04519%0.187CC..Hα-helixtrans-61.7-47.4176.8-174.724.2000112.1W58 L61 C62 R67 S68 Q69 D226 P228 C237 T239W58-W65 AromaticContact CH2-CZ3 3.87Å; W58-W65 HydrophobicContact CH2-CZ3 3.87Å; W58-W65 HydrophobicContact CZ2-CZ3 4.1Å; L61-W65 PolarHBondContact O-N 2.99Å; C62-W65 WeakPolarHBondContact O-CB 3.49Å; C62-W65 PolarHBondContact O-N 2.82Å; W65-R67 VanDerWaalsContact C-N 3.33Å; W65-R67 PolarHBondContact O-N 2.85Å; W65-S68 PolarHBondContact O-N 3.13Å; W65-Q69 WeakPolarHBondContact O-CG 3.49Å; W65-Q69 PolarHBondContact O-N 2.97Å; W65-D226 HydrophobicContact CH2-CB 3.52Å; W65-D226 HydrophobicContact CZ2-CB 3.69Å; W65-P228 HydrophobicContact CD2-CB 3.9Å; W65-P228 HydrophobicContact CE3-CB 3.81Å; W65-P228 HydrophobicContact CE3-CG 4.14Å; W65-P228 HydrophobicContact CG-CB 4.24Å; W65-P228 HydrophobicContact CZ3-CB 4.23Å; W65-P228 HydrophobicContact CZ3-CG 4.22Å; W65-C237 HydrophobicContact CB-CB 4.09Å; W65-T239 HydrophobicContact CZ2-CG2 3.92Å; W65-T239 PolarHBondContact NE1-OG1 2.9Å
66I91.7Very high92.2Very high64 Ų6438.1 Ų38.133%0.32818%0.179SC..Hα-helixtrans-59.3-43.7175.6-67.1163.6000111V13 C62 S68 Q69 Q70V13-I66 HydrophobicContact CG2-CB 4.49Å; V13-I66 HydrophobicContact CG2-CD1 3.97Å; V13-I66 HydrophobicContact CG2-CG2 4.06Å; C62-I66 WeakPolarHBondContact O-CG1 3.28Å; C62-I66 PolarHBondContact O-N 2.96Å; I66-S68 PolarHBondContact O-N 3.2Å; I66-Q69 PolarHBondContact O-N 3.38Å; I66-Q70 HydrophobicContact CG2-CG 4.42Å; I66-Q70 WeakPolarHBondContact O-CB 3.18Å; I66-Q70 VanDerWaalsContact O-CG 3.3Å; I66-Q70 WeakPolarHBondContact O-CG 3.45Å; I66-Q70 PolarHBondContact O-N 3.01Å
67R90.2Very high92Very high22 Ų2240 Ų408%0.08319%0.191CC..Hα-helixtrans-62.5-40.2175.8-76.8-174.4175.2-144.8-3.2113.1S63 R64 W65 Q70 F71 P831 P832 P833 E835S63-R67 WeakPolarHBondContact O-CG 3.4Å; R64-R67 PolarHBondContact O-N 2.68Å; W65-R67 VanDerWaalsContact C-N 3.33Å; W65-R67 PolarHBondContact O-N 2.85Å; R67-Q70 PolarHBondContact O-N 3.41Å; R67-F71 WeakPolarHBondContact O-CB 3.46Å; R67-F71 PolarHBondContact O-N 3.45Å; R67-P831 PolarHBondContact NH1-O 3.41Å; R67-P832 PolarHBondContact NH1-O 3.2Å; R67-P833 PolarHBondContact NH2-O 3.13Å; R67-E835 PolarHBondContact NH1-O 3.46Å; R67-E835 PolarHBondContact NH2-O 2.94Å
68S94Very high92Very high0 Ų042 Ų420%020%0.2CC..Hα-helixtrans-64.2-44.2177.9-57.30000111R64 W65 I66 F71 Y72 C237R64-S68 WeakPolarHBondContact O-CB 3.35Å; R64-S68 PolarHBondContact O-N 3.21Å; R64-S68 PolarHBondContact O-OG 3.36Å; W65-S68 PolarHBondContact O-N 3.13Å; I66-S68 PolarHBondContact O-N 3.2Å; S68-F71 PolarHBondContact O-N 3.05Å; S68-Y72 WeakPolarHBondContact O-CB 3.22Å; S68-Y72 VanDerWaalsContact O-CD2 3.23Å; S68-Y72 WeakPolarHBondContact O-CD2 3.25Å; S68-Y72 PolarHBondContact O-N 2.87Å; S68-C237 VanDerWaalsContact CB-O 3.24Å; S68-C237 WeakPolarHBondContact CB-O 3.46Å; S68-C237 PolarHBondContact OG-N 2.8Å
69Q92.4Very high92.1Very high50 Ų5042.2 Ų42.223%0.23420%0.201CC..Hα-helixtrans-66-38.4174.9-61.9-57.3-48.500112.7W65 I66 Y72 H73 Y153W65-Q69 WeakPolarHBondContact O-CG 3.49Å; W65-Q69 PolarHBondContact O-N 2.97Å; I66-Q69 PolarHBondContact O-N 3.38Å; Q69-Y72 PolarHBondContact O-N 2.84Å; Q69-H73 WeakPolarHBondContact O-CB 3.38Å; Q69-H73 PolarHBondContact O-N 3Å; Q69-Y153 PolarHBondContact OE1-OH 2.94Å
70Q89.9Confident92.4Very high109 Ų10938.7 Ų38.751%0.50918%0.182SC..Hα-helixtrans-62.6-41.6173.2-74.2172-7.900112I66 R67 H73 R74I66-Q70 HydrophobicContact CG2-CG 4.42Å; I66-Q70 WeakPolarHBondContact O-CB 3.18Å; I66-Q70 VanDerWaalsContact O-CG 3.3Å; I66-Q70 WeakPolarHBondContact O-CG 3.45Å; I66-Q70 PolarHBondContact O-N 3.01Å; R67-Q70 PolarHBondContact O-N 3.41Å; Q70-H73 PolarHBondContact O-N 2.86Å; Q70-R74 WeakPolarHBondContact O-CB 3.47Å; Q70-R74 PolarHBondContact O-N 2.89Å
71F90.7Very high92.7Very high49 Ų4938.2 Ų38.222%0.21518%0.179CC..Hα-helixtrans-64.3-48174.8179.1-105.9000111.6R67 S68 H73 R74 E75 L830R67-F71 WeakPolarHBondContact O-CB 3.46Å; R67-F71 PolarHBondContact O-N 3.45Å; S68-F71 PolarHBondContact O-N 3.05Å; F71-H73 PolarHBondContact O-N 3.28Å; F71-R74 PolarHBondContact O-N 3.42Å; F71-R74 VanDerWaalsContact O-N 3.09Å; F71-E75 HydrophobicContact CD2-CG 3.72Å; F71-E75 HydrophobicContact CE1-CG 4.41Å; F71-E75 HydrophobicContact CE2-CG 3.46Å; F71-E75 VanDerWaalsContact CE2-CG 3.46Å; F71-E75 HydrophobicContact CG-CG 4.32Å; F71-E75 HydrophobicContact CZ-CG 3.84Å; F71-E75 PolarHBondContact O-N 3.46Å; F71-L830 HydrophobicContact CB-CD2 4.49Å; F71-L830 HydrophobicContact CD1-CD2 4.13Å; F71-L830 HydrophobicContact CD2-CD2 3.95Å; F71-L830 HydrophobicContact CE1-CD2 4.33Å; F71-L830 HydrophobicContact CE2-CD2 4.14Å; F71-L830 HydrophobicContact CG-CD2 3.94Å; F71-L830 HydrophobicContact CZ-CD2 4.33Å
72Y91.8Very high93Very high6 Ų638.2 Ų38.22%0.02418%0.179CC..Hα-helixtrans-69.6-11.5176.2-58.2-28.8000114.8S68 Q69 P77 R79 L150 A151 T236 N238S68-Y72 WeakPolarHBondContact O-CB 3.22Å; S68-Y72 VanDerWaalsContact O-CD2 3.23Å; S68-Y72 WeakPolarHBondContact O-CD2 3.25Å; S68-Y72 PolarHBondContact O-N 2.87Å; Q69-Y72 PolarHBondContact O-N 2.84Å; Y72-P77 HydrophobicContact CD1-CG 4.17Å; Y72-R79 PolarHBondContact O-NH2 3.4Å; Y72-L150 PolarHBondContact OH-O 2.89Å; Y72-A151 HydrophobicContact CD1-CB 3.61Å; Y72-A151 HydrophobicContact CD2-CB 4.2Å; Y72-A151 HydrophobicContact CE1-CB 3.59Å; Y72-A151 HydrophobicContact CE2-CB 4.19Å; Y72-A151 HydrophobicContact CG-CB 3.93Å; Y72-T236 WeakPolarHBondContact OH-CG2 3.35Å; Y72-N238 WeakPolarHBondContact CE2-OD1 3.35Å; Y72-N238 PolarHBondContact OH-OD1 3.32Å; Y72-N238 VanDerWaalsContact OH-OD1 3.09Å
73H88Confident93.3Very high112 Ų11236.9 Ų36.952%0.51917%0.17SC..Hα-helixtrans-87.5-38.9167.2-175.2-60.6000111.2Q69 Q70 F71Q69-H73 WeakPolarHBondContact O-CB 3.38Å; Q69-H73 PolarHBondContact O-N 3Å; Q70-H73 PolarHBondContact O-N 2.86Å; F71-H73 PolarHBondContact O-N 3.28Å
74R87.5Confident93.5Very high122 Ų12236 Ų3646%0.4616%0.164SC..Hα-helixtrans-77.2-43-175.7-170.8-17769.8-1702.6113.6Q70 F71 I838Q70-R74 WeakPolarHBondContact O-CB 3.47Å; Q70-R74 PolarHBondContact O-N 2.89Å; F71-R74 PolarHBondContact O-N 3.42Å; F71-R74 VanDerWaalsContact O-N 3.09Å; R74-I838 PolarHBondContact NH1-O 3.26Å
75E89.9Confident93.5Very high64 Ų6435.8 Ų35.830%0.29916%0.163SC..SBendtrans-88.9-8.2-179.2-44-64.4141.300112.8F71 P77 K840F71-E75 HydrophobicContact CD2-CG 3.72Å; F71-E75 HydrophobicContact CE1-CG 4.41Å; F71-E75 HydrophobicContact CE2-CG 3.46Å; F71-E75 VanDerWaalsContact CE2-CG 3.46Å; F71-E75 HydrophobicContact CG-CG 4.32Å; F71-E75 HydrophobicContact CZ-CG 3.84Å; F71-E75 PolarHBondContact O-N 3.46Å; E75-P77 VanDerWaalsContact C-CD 3.47Å; E75-K840 IonicContact OE1-NZ 2.79Å; E75-K840 IonicContact OE2-NZ 3.18Å; E75-K840 PolarHBondContact OE2-NZ 3.26Å
76D91Very high93.4Very high27 Ų2735.2 Ų35.214%0.14416%0.161CC..  trans41.751.8178.1-173.643.6000115.1N313 R318 K326D76-N313 PolarHBondContact OD1-ND2 3.03Å; D76-R318 VanDerWaalsContact CG-NH1 3.33Å; D76-R318 IonicContact OD1-CZ 2.67Å; D76-R318 IonicContact OD1-NH1 3.39Å; D76-R318 PolarHBondContact OD1-NH1 3.1Å; D76-R318 IonicContact OD1-NH2 3.23Å; D76-R318 IonicContact OD2-CZ 2.88Å; D76-R318 VanDerWaalsContact OD2-CZ 3.23Å; D76-R318 IonicContact OD2-NH1 2.79Å; D76-R318 PolarHBondContact OD2-NH1 3.08Å; D76-R318 IonicContact OD2-NH2 3.75Å; D76-R318 PolarHBondContact OD2-NH2 2.63Å; D76-K326 VanDerWaalsContact CG-NZ 3.32Å; D76-K326 PolarHBondContact O-NZ 2.89Å; D76-K326 IonicContact OD1-NZ 2.77Å; D76-K326 IonicContact OD2-NZ 3.66Å; D76-K326 PolarHBondContact OD2-NZ 3.35Å
77P93.7Very high93.6Very high42 Ų4232.2 Ų32.227%0.27315%0.146SC..PPolyproline II helixtrans-70.1162.4-177.832.4-37.2000111.8Y72 E75 R79 A151Y72-P77 HydrophobicContact CD1-CG 4.17Å; E75-P77 VanDerWaalsContact C-CD 3.47Å; P77-R79 PolarHBondContact O-N 2.92Å; P77-A151 HydrophobicContact CB-CB 4.34Å; P77-A151 HydrophobicContact CG-CB 3.62Å
78K96Very high93.8Very high42 Ų4231.9 Ų31.918%0.18315%0.145CC..PPolyproline II helixtrans-60.5126.7165.1-175.2171.8-174.1-177.90109.1P324 K325 V327 W821 V823K78-P324 WeakPolarHBondContact CE-O 3.18Å; K78-P324 PolarHBondContact NZ-O 2.86Å; K78-K325 WeakPolarHBondContact CB-O 3.47Å; K78-K325 WeakPolarHBondContact CD-O 3.27Å; K78-K325 WeakPolarHBondContact CG-O 3.12Å; K78-V327 VanDerWaalsContact CE-C 3.46Å; K78-V327 WeakPolarHBondContact CE-O 3.35Å; K78-W821 WeakPolarHBondContact CE-O 3.35Å; K78-W821 PolarHBondContact NZ-O 2.72Å; K78-V823 HydrophobicContact CB-CG1 3.78Å; K78-V823 HydrophobicContact CD-CG1 3.88Å; K78-V823 HydrophobicContact CG-CG1 3.99Å
79R97.4Very high93.8Very high26 Ų2633.1 Ų33.110%0.09815%0.151CC..EExtended strand (participates in β ladder)trans-98.4137.4-176.5-67.2175.7178.8152.3-4.5111Y72 P77 Y81 A151 R309 N313 K326 A328Y72-R79 PolarHBondContact O-NH2 3.4Å; P77-R79 PolarHBondContact O-N 2.92Å; R79-Y81 HydrophobicContact CB-CD2 4.47Å; R79-Y81 HydrophobicContact CB-CE2 3.58Å; R79-Y81 WeakPolarHBondContact CD-OH 3.24Å; R79-A151 VanDerWaalsContact CA-O 3.29Å; R79-A151 WeakPolarHBondContact CA-O 3.1Å; R79-A151 HydrophobicContact CG-CB 4.4Å; R79-R309 PolarHBondContact NH1-O 2.87Å; R79-N313 PolarHBondContact NH1-ND2 3.47Å; R79-N313 PolarHBondContact NH1-OD1 2.99Å; R79-N313 PolarHBondContact NH2-ND2 3.04Å; R79-N313 PolarHBondContact NH2-OD1 2.98Å; R79-K326 PolarHBondContact N-O 2.95Å; R79-A328 PolarHBondContact O-N 3.03Å
80I98.6Very high93.8Very high1 Ų130.7 Ų30.71%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-99.6133.3-179.8-52.378000108.8M145 L150 A151 A152 Y153 W821 V823I80-M145 HydrophobicContact CB-SD 4.47Å; I80-M145 HydrophobicContact CG2-SD 4.02Å; I80-L150 HydrophobicContact CD1-CB 4.2Å; I80-A151 WeakPolarHBondContact CD1-O 3.45Å; I80-A151 PolarHBondContact N-O 2.89Å; I80-A152 HydrophobicContact CB-CB 4.04Å; I80-A152 CarbonylContact O-C 3.58Å; I80-A152 WeakPolarHBondContact O-CA 3.4Å; I80-Y153 PolarHBondContact O-N 3.34Å; I80-W821 HydrophobicContact CB-CE3 4.36Å; I80-W821 HydrophobicContact CG1-CD2 4.21Å; I80-W821 HydrophobicContact CG1-CE3 3.75Å; I80-W821 HydrophobicContact CG1-CZ3 4.3Å; I80-W821 HydrophobicContact CG2-CD2 3.69Å; I80-W821 HydrophobicContact CG2-CE3 3.64Å; I80-W821 HydrophobicContact CG2-CG 4.37Å; I80-W821 HydrophobicContact CG2-CH2 3.9Å; I80-W821 HydrophobicContact CG2-CZ2 3.95Å; I80-W821 HydrophobicContact CG2-CZ3 3.75Å; I80-V823 HydrophobicContact CD1-CG2 4.23Å; I80-V823 HydrophobicContact CG1-CG2 4.4Å
81Y98.8Very high94.1Very high2 Ų226.4 Ų26.41%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-125.3104.1-177.9-64.7-71.9000110R79 Y153 Y155 I306 V327 A328 I329 Q330R79-Y81 HydrophobicContact CB-CD2 4.47Å; R79-Y81 HydrophobicContact CB-CE2 3.58Å; R79-Y81 WeakPolarHBondContact CD-OH 3.24Å; Y81-Y153 HydrophobicContact CE1-CD2 4.26Å; Y81-Y153 HydrophobicContact CE1-CG 4.27Å; Y81-Y155 HydrophobicContact CD1-CD2 4.12Å; Y81-Y155 AromaticContact CD1-CE2 3.56Å; Y81-Y155 HydrophobicContact CD1-CE2 3.56Å; Y81-Y155 AromaticContact CE1-CE2 3.98Å; Y81-Y155 HydrophobicContact CE1-CE2 3.98Å; Y81-I306 HydrophobicContact CD1-CD1 3.83Å; Y81-I306 HydrophobicContact CD1-CG1 3.7Å; Y81-I306 HydrophobicContact CD2-CD1 3.96Å; Y81-I306 HydrophobicContact CD2-CG1 4.12Å; Y81-I306 HydrophobicContact CD2-CG2 4.28Å; Y81-I306 HydrophobicContact CE1-CD1 4.39Å; Y81-I306 HydrophobicContact CE1-CG1 3.77Å; Y81-I306 HydrophobicContact CE2-CD1 4.49Å; Y81-I306 HydrophobicContact CE2-CG1 4.16Å; Y81-I306 HydrophobicContact CE2-CG2 3.96Å; Y81-I306 HydrophobicContact CG-CD1 3.57Å; Y81-I306 HydrophobicContact CG-CG1 3.87Å; Y81-V327 HydrophobicContact CD2-CG1 3.69Å; Y81-V327 HydrophobicContact CE2-CB 4.44Å; Y81-V327 HydrophobicContact CE2-CG1 3.86Å; Y81-V327 HydrophobicContact CE2-CG2 4.33Å; Y81-A328 PolarHBondContact N-O 3.46Å; Y81-I329 CarbonylContact O-C 3.56Å; Y81-I329 WeakPolarHBondContact O-CA 3.25Å; Y81-Q330 PolarHBondContact O-N 3.48Å
82Y98.8Very high94.4Very high0 Ų025 Ų250%012%0.115CC..EExtended strand (participates in β ladder)trans-95.3108.2-178.3-157.5-83.4000110F87 A138 F141 M145 Y153 G154 Y155 Q330 N332 W821Y82-F87 HydrophobicContact CD1-CE1 4.18Å; Y82-F87 HydrophobicContact CD1-CZ 4.21Å; Y82-A138 HydrophobicContact CD1-CB 4.47Å; Y82-A138 HydrophobicContact CE1-CB 3.92Å; Y82-F141 AromaticContact CE2-CD2 3.6Å; Y82-F141 HydrophobicContact CE2-CD2 3.6Å; Y82-F141 HydrophobicContact CE2-CE2 4.25Å; Y82-F141 AromaticContact CZ-CD2 3.64Å; Y82-F141 WeakPolarHBondContact OH-CD2 3.25Å; Y82-M145 HydrophobicContact CD2-CE 4.37Å; Y82-M145 HydrophobicContact CG-CE 4.47Å; Y82-Y153 PolarHBondContact N-O 3.1Å; Y82-G154 CarbonylContact O-C 3.6Å; Y82-G154 WeakPolarHBondContact O-CA 3.33Å; Y82-Y155 PolarHBondContact O-N 3.43Å; Y82-Q330 HydrophobicContact CD2-CB 3.83Å; Y82-Q330 HydrophobicContact CD2-CG 3.74Å; Y82-Q330 HydrophobicContact CE2-CB 4.19Å; Y82-Q330 HydrophobicContact CE2-CG 3.56Å; Y82-Q330 HydrophobicContact CG-CB 4.49Å; Y82-N332 HydrophobicContact CD1-CB 4.32Å; Y82-N332 HydrophobicContact CE1-CB 3.54Å; Y82-N332 VanDerWaalsContact CE1-CG 3.49Å; Y82-N332 PolarHBondContact OH-OD1 3.03Å; Y82-W821 HydrophobicContact CD2-CZ2 4.29Å
83L98.7Very high94.6Very high0 Ų024.8 Ų24.80%011%0.113CC..EExtended strand (participates in β ladder)trans-100.4121.8-176.1-81.957.6000109.6V299 T302 I329 Q330 N332 P336 A339L83-V299 HydrophobicContact CD2-CG1 4.49Å; L83-T302 HydrophobicContact CD1-CG2 3.79Å; L83-T302 HydrophobicContact CD2-CG2 3.98Å; L83-T302 HydrophobicContact CG-CG2 3.93Å; L83-I329 HydrophobicContact CD1-CG2 3.72Å; L83-I329 HydrophobicContact CD2-CG2 3.87Å; L83-I329 HydrophobicContact CG-CG2 4.35Å; L83-Q330 PolarHBondContact N-O 3.42Å; L83-N332 WeakPolarHBondContact O-CB 3.4Å; L83-N332 PolarHBondContact O-N 3.14Å; L83-N332 VanDerWaalsContact O-N 3.14Å; L83-P336 HydrophobicContact CB-CB 3.79Å; L83-P336 HydrophobicContact CB-CG 4.28Å; L83-P336 HydrophobicContact CD2-CB 4.3Å; L83-A339 HydrophobicContact CD2-CB 4.37Å
84S96.9Very high95Very high0 Ų020 Ų200%09%0.093CC..  trans-149.3143175.6-174.90000109.1E86 F87 Y155 G156 N332S84-E86 VanDerWaalsContact C-N 3.26Å; S84-E86 WeakPolarHBondContact CB-O 3.23Å; S84-E86 PolarHBondContact O-N 2.92Å; S84-E86 PolarHBondContact OG-N 2.9Å; S84-E86 PolarHBondContact OG-O 3.25Å; S84-F87 WeakPolarHBondContact O-CE2 3.33Å; S84-Y155 PolarHBondContact N-O 2.74Å; S84-G156 WeakPolarHBondContact O-CA 3.22Å; S84-N332 WeakPolarHBondContact CB-ND2 3.42Å; S84-N332 PolarHBondContact OG-ND2 3.3Å
85L93.1Very high95.4Very high1 Ų115.1 Ų15.11%0.0058%0.075CC..SBendtrans-61-40.5169.2-72.6179.9000110.8I157 Y159 L278 Y279 Q294 E295 L298 H335L85-I157 HydrophobicContact CD2-CD1 3.73Å; L85-I157 HydrophobicContact CD2-CG1 4.26Å; L85-Y159 WeakPolarHBondContact O-CE2 3.48Å; L85-L278 HydrophobicContact CB-CD1 4.36Å; L85-Y279 HydrophobicContact CD1-CE1 4.37Å; L85-Q294 HydrophobicContact CD2-CB 4.44Å; L85-E295 HydrophobicContact CD1-CG 4.29Å; L85-L298 HydrophobicContact CD2-CB 4.46Å; L85-L298 HydrophobicContact CD2-CD2 3.92Å; L85-L298 HydrophobicContact CG-CD2 4.49Å; L85-H335 HydrophobicContact CD1-CB 3.67Å; L85-H335 HydrophobicContact CG-CB 3.74Å
86E93.3Very high95.8Very high0 Ų012 Ų120%06%0.061CC..  trans-112.9141.7-17553.9163.7145.200115.3S84 L129 G130 N131 G135 L278 Y279 R565S84-E86 VanDerWaalsContact C-N 3.26Å; S84-E86 WeakPolarHBondContact CB-O 3.23Å; S84-E86 PolarHBondContact O-N 2.92Å; S84-E86 PolarHBondContact OG-N 2.9Å; S84-E86 PolarHBondContact OG-O 3.25Å; E86-L129 CarbonylContact C-O 3.49Å; E86-L129 VanDerWaalsContact CA-O 3.25Å; E86-L129 WeakPolarHBondContact CA-O 3.38Å; E86-L129 WeakPolarHBondContact CB-O 3.07Å; E86-G130 WeakPolarHBondContact OE2-CA 3.17Å; E86-N131 PolarHBondContact OE2-N 3.5Å; E86-G135 WeakPolarHBondContact O-CA 3.49Å; E86-G135 WeakPolarHBondContact OE2-CA 3.38Å; E86-G135 PolarHBondContact OE2-N 3.35Å; E86-L278 HydrophobicContact CB-CD1 4.48Å; E86-L278 HydrophobicContact CB-CD2 4.02Å; E86-Y279 PolarHBondContact OE1-OH 3.22Å; E86-R565 IonicContact OE1-NH2 3.19Å; E86-R565 PolarHBondContact OE1-NH2 2.89Å
87F95.8Very high96.1Very high1 Ų110.8 Ų10.80%0.0045%0.054CC..  trans-140.194.9170.9-69.5-88.8000109.5Y82 S84 M89 L129 A138 L142 Y155 L240Y82-F87 HydrophobicContact CD1-CE1 4.18Å; Y82-F87 HydrophobicContact CD1-CZ 4.21Å; S84-F87 WeakPolarHBondContact O-CE2 3.33Å; F87-M89 VanDerWaalsContact C-N 3.29Å; F87-M89 HydrophobicContact CB-CG 4.44Å; F87-M89 HydrophobicContact CB-SD 4.37Å; F87-M89 PolarHBondContact O-N 3.23Å; F87-L129 CarbonylContact C-O 3.56Å; F87-L129 PolarHBondContact N-O 3.18Å; F87-L129 WeakPolarHBondContact O-CB 3.49Å; F87-A138 HydrophobicContact CD1-CB 3.67Å; F87-A138 HydrophobicContact CE1-CB 3.73Å; F87-A138 HydrophobicContact CG-CB 4.45Å; F87-L142 HydrophobicContact CD1-CD1 3.42Å; F87-L142 VanDerWaalsContact CD1-CD1 3.42Å; F87-L142 HydrophobicContact CD1-CG 4.15Å; F87-L142 HydrophobicContact CE1-CD1 3.6Å; F87-L142 HydrophobicContact CE1-CD2 4.29Å; F87-L142 HydrophobicContact CE1-CG 3.96Å; F87-L142 HydrophobicContact CG-CD1 4.36Å; F87-Y155 WeakPolarHBondContact CE2-O 3.44Å; F87-L240 HydrophobicContact CB-CD1 4.46Å; F87-L240 HydrophobicContact CB-CD2 3.94Å; F87-L240 HydrophobicContact CD1-CD1 4.14Å; F87-L240 HydrophobicContact CD2-CD1 3.65Å; F87-L240 HydrophobicContact CE1-CD1 4.27Å; F87-L240 HydrophobicContact CE2-CD1 3.81Å; F87-L240 HydrophobicContact CG-CD1 3.82Å; F87-L240 HydrophobicContact CG-CD2 4.16Å; F87-L240 HydrophobicContact CZ-CD1 4.12Å
88Y93.6Very high96.2Very high15 Ų1510 Ų106%0.0595%0.048CC..  trans-83.672.7-175.1-158.4-167.7000111.2G90 G135 R136 R645 V646Y88-G90 PolarHBondContact O-N 3.31Å; Y88-G135 VanDerWaalsContact N-C 3.26Å; Y88-G135 PolarHBondContact N-O 2.92Å; Y88-R136 WeakPolarHBondContact O-CD 3.49Å; Y88-R136 PolarHBondContact O-NE 3.21Å; Y88-R136 PolarHBondContact O-NH1 3.42Å; Y88-R645 VanDerWaalsContact OH-CA 3.27Å; Y88-R645 WeakPolarHBondContact OH-CA 3.47Å; Y88-R645 WeakPolarHBondContact OH-CB 3.41Å; Y88-V646 HydrophobicContact CD1-CG2 3.93Å; Y88-V646 HydrophobicContact CD2-CG2 4.03Å; Y88-V646 HydrophobicContact CE1-CG2 4.05Å; Y88-V646 HydrophobicContact CE2-CG2 4.17Å; Y88-V646 HydrophobicContact CG-CG2 3.94Å
89M93.7Very high96.2Very high26 Ų268.1 Ų8.113%0.1284%0.039CC..  trans-62.3-38.2-171.4-62.2-60.4-72.700113.4F87 R136 A139 L142 V229 L240 R484F87-M89 VanDerWaalsContact C-N 3.29Å; F87-M89 HydrophobicContact CB-CG 4.44Å; F87-M89 HydrophobicContact CB-SD 4.37Å; F87-M89 PolarHBondContact O-N 3.23Å; M89-R136 VanDerWaalsContact C-NH1 3.33Å; M89-R136 PolarHBondContact O-NH1 2.91Å; M89-A139 HydrophobicContact SD-CB 3.52Å; M89-A139 VanDerWaalsContact SD-CB 3.52Å; M89-L142 HydrophobicContact SD-CD1 4.17Å; M89-V229 HydrophobicContact CE-CG2 4.25Å; M89-L240 HydrophobicContact CG-CD2 3.93Å; M89-L240 HydrophobicContact SD-CD2 3.96Å; M89-R484 PolarHBondContact O-NH2 3.49Å
90G93.5Very high96.1Very high0 Ų07.1 Ų7.10%04%0.036CC..  trans71.4-166.5-166.200000112.5Y88 D126Y88-G90 PolarHBondContact O-N 3.31Å; G90-D126 WeakPolarHBondContact CA-OD1 3.37Å
91R95.1Very high95.9Very high18 Ų1811 Ų117%0.0686%0.057CC..  trans-51139.9171.9-75.5-177.5176.4147.8-0.5113.1E121 E122 E124 D126 R484 S647R91-E121 PolarHBondContact NE-O 2.75Å; R91-E122 IonicContact CZ-OE2 3.66Å; R91-E122 IonicContact NH1-OE1 2.77Å; R91-E122 PolarHBondContact NH1-OE1 2.69Å; R91-E122 VanDerWaalsContact NH1-OE1 3.12Å; R91-E122 IonicContact NH1-OE2 3.97Å; R91-E122 PolarHBondContact NH1-OE2 3.05Å; R91-E122 PolarHBondContact NH2-O 2.89Å; R91-E122 IonicContact NH2-OE2 3.71Å; R91-E122 PolarHBondContact NH2-OE2 3.24Å; R91-E124 WeakPolarHBondContact CA-OE2 3.39Å; R91-E124 HydrophobicContact CB-CG 4.36Å; R91-E124 VanDerWaalsContact CB-OE2 3.31Å; R91-E124 WeakPolarHBondContact CB-OE2 3.38Å; R91-E124 HydrophobicContact CG-CB 3.98Å; R91-E124 HydrophobicContact CG-CG 3.91Å; R91-E124 PolarHBondContact NE-O 2.87Å; R91-E124 PolarHBondContact NH2-O 3.09Å; R91-E124 VanDerWaalsContact NH2-O 3.17Å; R91-D126 PolarHBondContact N-OD1 3.03Å; R91-R484 PolarHBondContact O-NH1 3.1Å; R91-R484 PolarHBondContact O-NH2 3.09Å; R91-S647 VanDerWaalsContact CD-OG 3.31Å; R91-S647 WeakPolarHBondContact CD-OG 3.49Å; R91-S647 WeakPolarHBondContact CG-OG 3.24Å; R91-S647 PolarHBondContact NE-OG 3.02Å
92T96.7Very high95.7Very high21 Ų2111.2 Ų11.213%0.1296%0.058CC..SBendtrans-107.2-29.3-172.5-52.90000112.6T96 E124 W187T92-T96 WeakPolarHBondContact O-CB 3.49Å; T92-T96 PolarHBondContact O-N 2.83Å; T92-T96 PolarHBondContact O-OG1 3.27Å; T92-E124 WeakPolarHBondContact CA-OE1 3.32Å; T92-E124 VanDerWaalsContact CB-OE1 3.3Å; T92-E124 WeakPolarHBondContact CB-OE1 3.37Å; T92-E124 PolarHBondContact N-OE1 2.74Å; T92-E124 PolarHBondContact N-OE2 3.49Å; T92-W187 HydrophobicContact CG2-CB 4.06Å; T92-W187 HydrophobicContact CG2-CD2 3.63Å; T92-W187 HydrophobicContact CG2-CE3 3.91Å; T92-W187 HydrophobicContact CG2-CG 3.68Å
93L97.7Very high95.5Very high0 Ų014 Ų140%08%0.075CC..Hα-helixtrans-58.9-65.1-176.7177.853.9000111.6Y50 L53 V57 N95 T96 M97 E121 E124 W187Y50-L93 HydrophobicContact CD2-CD2 4.16Å; Y50-L93 HydrophobicContact CE2-CD2 4.02Å; L53-L93 HydrophobicContact CD2-CD1 4.47Å; L53-L93 HydrophobicContact CD2-CD2 3.85Å; L53-L93 HydrophobicContact CG-CD1 4.17Å; L53-L93 HydrophobicContact CG-CD2 4.26Å; V57-L93 HydrophobicContact CB-CD1 4.23Å; V57-L93 HydrophobicContact CG1-CD1 4.33Å; V57-L93 HydrophobicContact CG2-CD1 3.89Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 3.15Å; L93-T96 WeakPolarHBondContact O-CB 3.5Å; L93-T96 PolarHBondContact O-N 2.87Å; L93-M97 HydrophobicContact CD1-CE 4.08Å; L93-M97 HydrophobicContact CD1-CG 4.14Å; L93-M97 HydrophobicContact CD1-SD 3.86Å; L93-M97 HydrophobicContact CG-CE 3.94Å; L93-M97 HydrophobicContact CG-SD 4.39Å; L93-M97 WeakPolarHBondContact O-CG 3.31Å; L93-M97 PolarHBondContact O-N 2.72Å; L93-E121 HydrophobicContact CD2-CG 4.01Å; L93-E121 HydrophobicContact CG-CG 4.43Å; L93-E124 VanDerWaalsContact CB-OE2 3.29Å; L93-E124 WeakPolarHBondContact CB-OE2 3.16Å; L93-E124 PolarHBondContact N-OE2 3.34Å; L93-W187 HydrophobicContact CB-CH2 4.44Å; L93-W187 HydrophobicContact CB-CZ2 3.73Å; L93-W187 HydrophobicContact CD1-CH2 3.92Å; L93-W187 HydrophobicContact CD1-CZ2 3.87Å; L93-W187 HydrophobicContact CG-CZ2 4.37Å
94T95.7Very high95.4Very high13 Ų1317.5 Ų17.58%0.0811%0.105CC..Hα-helixtrans-44.1-55.9174.545.20000112.7T96 M97 L98 E121 L488T94-T96 VanDerWaalsContact C-N 3.28Å; T94-T96 PolarHBondContact O-N 2.78Å; T94-M97 PolarHBondContact O-N 3.04Å; T94-L98 WeakPolarHBondContact O-CB 3.42Å; T94-L98 PolarHBondContact O-N 3.28Å; T94-E121 HydrophobicContact CG2-CB 4.38Å; T94-E121 HydrophobicContact CG2-CG 4Å; T94-E121 WeakPolarHBondContact CG2-OE1 3.3Å; T94-E121 WeakPolarHBondContact CG2-OE2 3.21Å; T94-L488 HydrophobicContact CG2-CD1 4.39Å
95N96.5Very high95.4Very high18 Ų1818.6 Ų18.610%0.09611%0.113CC..Hα-helixtrans-62-35.1-177.8-172.9113000112.1L93 N99 R484L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 3.15Å; N95-N99 PolarHBondContact ND2-ND2 3.04Å; N95-N99 VanDerWaalsContact ND2-ND2 3.17Å; N95-N99 WeakPolarHBondContact O-CB 3.32Å; N95-N99 PolarHBondContact O-N 2.85Å; N95-N99 VanDerWaalsContact O-N 3.15Å; N95-N99 PolarHBondContact O-ND2 3.47Å; N95-R484 VanDerWaalsContact CG-NH2 3.26Å; N95-R484 PolarHBondContact OD1-NE 3.47Å; N95-R484 VanDerWaalsContact OD1-NE 3.15Å; N95-R484 PolarHBondContact OD1-NH2 2.93Å
96T97.2Very high95.6Very high0 Ų018.6 Ų18.60%011%0.113CC..Hα-helixtrans-73.3-50177.3-630000110.6V57 L61 T92 L93 T94 L98 N99 V100 W187V57-T96 HydrophobicContact CG1-CG2 3.48Å; V57-T96 VanDerWaalsContact CG1-CG2 3.48Å; L61-T96 HydrophobicContact CB-CG2 4.17Å; L61-T96 HydrophobicContact CD1-CG2 4.46Å; L61-T96 HydrophobicContact CD2-CG2 3.74Å; L61-T96 HydrophobicContact CG-CG2 4.35Å; T92-T96 WeakPolarHBondContact O-CB 3.49Å; T92-T96 PolarHBondContact O-N 2.83Å; T92-T96 PolarHBondContact O-OG1 3.27Å; L93-T96 WeakPolarHBondContact O-CB 3.5Å; L93-T96 PolarHBondContact O-N 2.87Å; T94-T96 VanDerWaalsContact C-N 3.28Å; T94-T96 PolarHBondContact O-N 2.78Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-N99 PolarHBondContact O-N 3.25Å; T96-V100 HydrophobicContact CG2-CG2 3.84Å; T96-V100 WeakPolarHBondContact O-CB 3.29Å; T96-V100 VanDerWaalsContact O-CG2 3.24Å; T96-V100 WeakPolarHBondContact O-CG2 3.14Å; T96-V100 PolarHBondContact O-N 2Å; T96-W187 HydrophobicContact CG2-CZ3 4.44Å
97M96.8Very high95.7Very high0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-58.1-39179.4-64.2-170.7-59.200112V57 L93 T94 N101 I102 T103 V106 I117 E121V57-M97 HydrophobicContact CG1-CG 3.9Å; V57-M97 HydrophobicContact CG2-CG 3.8Å; V57-M97 HydrophobicContact CG2-SD 3.94Å; L93-M97 HydrophobicContact CD1-CE 4.08Å; L93-M97 HydrophobicContact CD1-CG 4.14Å; L93-M97 HydrophobicContact CD1-SD 3.86Å; L93-M97 HydrophobicContact CG-CE 3.94Å; L93-M97 HydrophobicContact CG-SD 4.39Å; L93-M97 WeakPolarHBondContact O-CG 3.31Å; L93-M97 PolarHBondContact O-N 2.72Å; T94-M97 PolarHBondContact O-N 3.04Å; M97-N101 WeakPolarHBondContact O-CA 3.32Å; M97-N101 PolarHBondContact O-N 3.42Å; M97-I102 HydrophobicContact CB-CG1 4.17Å; M97-I102 HydrophobicContact CG-CD1 4.43Å; M97-I102 HydrophobicContact CG-CG1 4.28Å; M97-I102 PolarHBondContact O-N 2.89Å; M97-T103 VanDerWaalsContact C-OG1 3.23Å; M97-T103 WeakPolarHBondContact CB-OG1 3.29Å; M97-T103 PolarHBondContact O-OG1 2.85Å; M97-V106 HydrophobicContact SD-CB 3.9Å; M97-V106 HydrophobicContact SD-CG1 3.59Å; M97-V106 VanDerWaalsContact SD-CG1 3.59Å; M97-V106 HydrophobicContact SD-CG2 4Å; M97-I117 HydrophobicContact CE-CD1 4.4Å; M97-E121 WeakPolarHBondContact CE-OE1 3.46Å
98L96.2Very high95.8Very high26 Ų2626.8 Ų26.814%0.13615%0.154CC..Hα-helixtrans-67.2-48.3176.3-177.661.8000112.9T94 T96 N101 T103 Y232 R483 L487 L488T94-L98 WeakPolarHBondContact O-CB 3.42Å; T94-L98 PolarHBondContact O-N 3.28Å; T96-L98 PolarHBondContact O-N 3.44Å; L98-N101 PolarHBondContact O-N 3.19Å; L98-T103 PolarHBondContact N-OG1 3.48Å; L98-Y232 HydrophobicContact CD1-CE2 4.47Å; L98-Y232 HydrophobicContact CG-CE2 4.32Å; L98-R483 WeakPolarHBondContact CD2-O 3.21Å; L98-L487 HydrophobicContact CD1-CD2 3.84Å; L98-L487 HydrophobicContact CD1-CG 4.14Å; L98-L487 HydrophobicContact CD2-CD2 4.1Å; L98-L487 HydrophobicContact CD2-CG 4.2Å; L98-L487 HydrophobicContact CG-CD2 4.26Å; L98-L488 HydrophobicContact CD2-CB 3.79Å; L98-L488 HydrophobicContact CD2-CD1 4.09Å; L98-L488 HydrophobicContact CD2-CG 4.48Å
99N96.6Very high96Very high2 Ų226.1 Ų26.11%0.01115%0.152CC..Hα-helixtrans-71-37.3-179.3-82.8-68.2000112.9N95 T96 N101 P230 Y232 R233N95-N99 PolarHBondContact ND2-ND2 3.04Å; N95-N99 VanDerWaalsContact ND2-ND2 3.17Å; N95-N99 WeakPolarHBondContact O-CB 3.32Å; N95-N99 PolarHBondContact O-N 2.85Å; N95-N99 VanDerWaalsContact O-N 3.15Å; N95-N99 PolarHBondContact O-ND2 3.47Å; T96-N99 PolarHBondContact O-N 3.25Å; N99-N101 VanDerWaalsContact C-N 3.27Å; N99-P230 HydrophobicContact CB-CB 3.86Å; N99-P230 HydrophobicContact CB-CG 3.85Å; N99-Y232 WeakPolarHBondContact OD1-CA 3.31Å; N99-Y232 VanDerWaalsContact OD1-CB 3.24Å; N99-Y232 WeakPolarHBondContact OD1-CB 3.16Å; N99-Y232 WeakPolarHBondContact OD1-CD2 3.39Å; N99-Y232 PolarHBondContact OD1-N 3.06Å; N99-R233 PolarHBondContact O-N 3.28Å
100V94.7Very high96.2Very high6 Ų625 Ų254%0.03615%0.146CC..Hα-helixtrans-73.9-21.2175.6176.30000111.6H60 L61 T96 I102 P230H60-V100 HydrophobicContact CB-CG1 4.35Å; L61-V100 HydrophobicContact CD1-CG2 4.22Å; T96-V100 HydrophobicContact CG2-CG2 3.84Å; T96-V100 WeakPolarHBondContact O-CB 3.29Å; T96-V100 VanDerWaalsContact O-CG2 3.24Å; T96-V100 WeakPolarHBondContact O-CG2 3.14Å; T96-V100 PolarHBondContact O-N 2Å; V100-I102 HydrophobicContact CB-CG1 4.3Å; V100-I102 HydrophobicContact CG1-CD1 4.18Å; V100-I102 HydrophobicContact CG1-CG1 4.08Å; V100-I102 HydrophobicContact CG1-CG2 4.1Å; V100-P230 HydrophobicContact CG2-CB 4.29Å
101N94.1Very high96.4Very high83 Ų8333.5 Ų33.544%0.44418%0.18SC..THydrogen-bonded Turntrans66.855.5-177.8-166.286.6000113.9M97 L98 N99 R233M97-N101 WeakPolarHBondContact O-CA 3.32Å; M97-N101 PolarHBondContact O-N 3.42Å; L98-N101 PolarHBondContact O-N 3.19Å; N99-N101 VanDerWaalsContact C-N 3.27Å; N101-R233 HydrophobicContact CB-CG 4.08Å; N101-R233 PolarHBondContact OD1-NE 3.22Å; N101-R233 PolarHBondContact OD1-NH2 2.82Å
102I95.2Very high96.6Very high5 Ų537.2 Ų37.23%0.02620%0.198CC..  trans-125.7-4.3176.854.5167.3000114.3E20 V57 H60 M97 V100 A104 A105 V106E20-I102 HydrophobicContact CB-CG2 3.89Å; E20-I102 HydrophobicContact CG-CG2 3.81Å; V57-I102 HydrophobicContact CG1-CD1 4.26Å; V57-I102 HydrophobicContact CG2-CD1 4.14Å; H60-I102 HydrophobicContact CB-CD1 4.43Å; M97-I102 HydrophobicContact CB-CG1 4.17Å; M97-I102 HydrophobicContact CG-CD1 4.43Å; M97-I102 HydrophobicContact CG-CG1 4.28Å; M97-I102 PolarHBondContact O-N 2.89Å; V100-I102 HydrophobicContact CB-CG1 4.3Å; V100-I102 HydrophobicContact CG1-CD1 4.18Å; V100-I102 HydrophobicContact CG1-CG1 4.08Å; V100-I102 HydrophobicContact CG1-CG2 4.1Å; I102-A104 PolarHBondContact O-N 2.92Å; I102-A105 PolarHBondContact O-N 3.28Å; I102-V106 HydrophobicContact CB-CG2 4.29Å; I102-V106 HydrophobicContact CD1-CG2 4.06Å; I102-V106 HydrophobicContact CG1-CG2 4.23Å; I102-V106 PolarHBondContact O-N 2.72Å
103T95.4Very high96.5Very high58 Ų5839.1 Ų39.136%0.35621%0.207SC..Hα-helixtrans-44.7-57.6-174.9-49.30000113.7M97 L98 A105 V106 D107M97-T103 VanDerWaalsContact C-OG1 3.23Å; M97-T103 WeakPolarHBondContact CB-OG1 3.29Å; M97-T103 PolarHBondContact O-OG1 2.85Å; L98-T103 PolarHBondContact N-OG1 3.48Å; T103-A105 VanDerWaalsContact C-N 3.3Å; T103-A105 PolarHBondContact O-N 3.23Å; T103-V106 PolarHBondContact O-N 2.88Å; T103-V106 VanDerWaalsContact O-N 3.12Å; T103-D107 WeakPolarHBondContact O-CB 3.4Å; T103-D107 PolarHBondContact O-N 2.97Å
104A95Very high96.4Very high75 Ų7542.3 Ų42.362%0.6224%0.239SC*.Hα-helixtrans-64-30.5-177.900000114I102 E108I102-A104 PolarHBondContact O-N 2.92Å; A104-E108 WeakPolarHBondContact O-CB 3.41Å; A104-E108 PolarHBondContact O-N 2.89Å; A104-E108 VanDerWaalsContact O-N 3.11Å
105A96.5Very high96.5Very high22 Ų2243.1 Ų43.118%0.18224%0.243CC..Hα-helixtrans-80.2-23.5177.400000112.5V22 L25 I102 T103 A109V22-A105 HydrophobicContact CG2-CB 4.28Å; L25-A105 HydrophobicContact CD1-CB 3.64Å; L25-A105 WeakPolarHBondContact CD1-O 3.43Å; I102-A105 PolarHBondContact O-N 3.28Å; T103-A105 VanDerWaalsContact C-N 3.3Å; T103-A105 PolarHBondContact O-N 3.23Å; A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 2.72Å
106V97.5Very high96.4Very high1 Ų146.1 Ų46.11%0.00626%0.259CS..Hα-helixtrans-78.6-45.3171.3171.20000110.8L25 L53 V57 M97 I102 T103 A109 M110 I117L25-V106 HydrophobicContact CD1-CG2 3.93Å; L25-V106 HydrophobicContact CD2-CG2 4.17Å; L53-V106 HydrophobicContact CD1-CG1 3.52Å; V57-V106 HydrophobicContact CG2-CG2 4.4Å; M97-V106 HydrophobicContact SD-CB 3.9Å; M97-V106 HydrophobicContact SD-CG1 3.59Å; M97-V106 VanDerWaalsContact SD-CG1 3.59Å; M97-V106 HydrophobicContact SD-CG2 4Å; I102-V106 HydrophobicContact CB-CG2 4.29Å; I102-V106 HydrophobicContact CD1-CG2 4.06Å; I102-V106 HydrophobicContact CG1-CG2 4.23Å; I102-V106 PolarHBondContact O-N 2.72Å; T103-V106 PolarHBondContact O-N 2.88Å; T103-V106 VanDerWaalsContact O-N 3.12Å; V106-A109 CarbonylContact O-C 3.52Å; V106-A109 WeakPolarHBondContact O-CA 3.29Å; V106-A109 WeakPolarHBondContact O-CB 3.32Å; V106-A109 PolarHBondContact O-N 3.04Å; V106-A109 VanDerWaalsContact O-N 3.1Å; V106-M110 HydrophobicContact CG1-CG 4.25Å; V106-M110 WeakPolarHBondContact O-CG 3.11Å; V106-M110 PolarHBondContact O-N 3.49Å; V106-I117 HydrophobicContact CG1-CD1 4.22Å
107D96.6Very high96.4Very high79 Ų7946.9 Ų46.942%0.42226%0.263SS..Hα-helixtrans-53-57.5173.5171.124.2000111T103 A109 M110 Y111T103-D107 WeakPolarHBondContact O-CB 3.4Å; T103-D107 PolarHBondContact O-N 2.97Å; D107-A109 PolarHBondContact O-N 3.47Å; D107-A109 VanDerWaalsContact O-N 3.14Å; D107-M110 PolarHBondContact O-N 2.92Å; D107-M110 VanDerWaalsContact O-N 3.1Å; D107-Y111 WeakPolarHBondContact O-CB 3.41Å; D107-Y111 PolarHBondContact O-N 2.82Å
108E98.1Very high96.2Very high95 Ų9552.7 Ų52.744%0.44429%0.291SS..Hα-helixtrans-58.2-32.9175.8-161.3-161.8131.500112.4V22 A104 Q112V22-E108 HydrophobicContact CG1-CB 4.33Å; V22-E108 HydrophobicContact CG1-CG 4.29Å; V22-E108 HydrophobicContact CG2-CB 4.03Å; V22-E108 HydrophobicContact CG2-CG 4.28Å; A104-E108 WeakPolarHBondContact O-CB 3.41Å; A104-E108 PolarHBondContact O-N 2.89Å; A104-E108 VanDerWaalsContact O-N 3.11Å; E108-Q112 VanDerWaalsContact O-CB 3.29Å; E108-Q112 WeakPolarHBondContact O-CB 3.34Å; E108-Q112 WeakPolarHBondContact O-CG 3.41Å; E108-Q112 PolarHBondContact O-N 2.96Å; E108-Q112 VanDerWaalsContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.5Å
109A98Very high96.1Very high0 Ų057.5 Ų57.50%031%0.312CS..Hα-helixtrans-70.7-42.4176.600000113V22 L25 K26 A105 V106 D107 L113V22-A109 HydrophobicContact CG1-CB 4.05Å; L25-A109 HydrophobicContact CB-CB 4.07Å; K26-A109 HydrophobicContact CD-CB 4.45Å; K26-A109 HydrophobicContact CG-CB 3.64Å; A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 2.72Å; V106-A109 CarbonylContact O-C 3.52Å; V106-A109 WeakPolarHBondContact O-CA 3.29Å; V106-A109 WeakPolarHBondContact O-CB 3.32Å; V106-A109 PolarHBondContact O-N 3.04Å; V106-A109 VanDerWaalsContact O-N 3.1Å; D107-A109 PolarHBondContact O-N 3.47Å; D107-A109 VanDerWaalsContact O-N 3.14Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.31Å; A109-L113 PolarHBondContact O-N 2.93Å
110M97.4Very high96.1Very high3 Ų357.6 Ų57.62%0.01531%0.313CS..Hα-helixtrans-70.1-45.2178.2-66.7-50.996.900110.5F29 L53 V106 D107 Q112 L113 G114 L115 I117 L120F29-M110 HydrophobicContact CB-CE 4.24Å; F29-M110 HydrophobicContact CD2-CE 3.71Å; F29-M110 HydrophobicContact CD2-SD 3.87Å; F29-M110 HydrophobicContact CE2-CE 4.22Å; F29-M110 HydrophobicContact CE2-SD 3.75Å; F29-M110 HydrophobicContact CG-CE 3.96Å; F29-M110 HydrophobicContact CZ-SD 4.35Å; L53-M110 HydrophobicContact CD1-CE 4.35Å; L53-M110 HydrophobicContact CD1-SD 4.17Å; L53-M110 HydrophobicContact CD2-CG 4.48Å; L53-M110 HydrophobicContact CD2-SD 4.41Å; V106-M110 HydrophobicContact CG1-CG 4.25Å; V106-M110 WeakPolarHBondContact O-CG 3.11Å; V106-M110 PolarHBondContact O-N 3.49Å; D107-M110 PolarHBondContact O-N 2.92Å; D107-M110 VanDerWaalsContact O-N 3.1Å; M110-Q112 VanDerWaalsContact C-N 3.33Å; M110-Q112 PolarHBondContact O-N 3.38Å; M110-L113 HydrophobicContact CE-CD1 4.02Å; M110-L113 CarbonylContact O-C 3.55Å; M110-L113 WeakPolarHBondContact O-CA 3.14Å; M110-L113 WeakPolarHBondContact O-CB 3.4Å; M110-L113 PolarHBondContact O-N 2.72Å; M110-G114 PolarHBondContact O-N 3.38Å; M110-G114 VanDerWaalsContact O-N 3.14Å; M110-L115 CarbonylContact C-O 3.55Å; M110-L115 VanDerWaalsContact C-O 3.26Å; M110-L115 HydrophobicContact CB-CB 4.18Å; M110-L115 PolarHBondContact O-N 2.87Å; M110-L115 HydrophobicContact SD-CD1 4.14Å; M110-I117 HydrophobicContact CG-CD1 4.13Å; M110-L120 HydrophobicContact CG-CD1 4.48Å; M110-L120 HydrophobicContact SD-CD1 4.18Å
111Y97.7Very high96.1Very high179 Ų17959.2 Ų59.270%0.70232%0.32SS*.Hα-helixtrans-55.9-45.7174.8180-99.4000112D107 L113 G114 L115D107-Y111 WeakPolarHBondContact O-CB 3.41Å; D107-Y111 PolarHBondContact O-N 2.82Å; Y111-L113 PolarHBondContact O-N 2.83Å; Y111-G114 PolarHBondContact O-N 2.9Å; Y111-L115 PolarHBondContact N-O 3.43Å
112Q98.1Very high96.1Very high95 Ų9559 Ų5944%0.44432%0.316SS..THydrogen-bonded Turntrans-71-10.1176.2-73.2177.921.400114.7K26 E108 M110K26-Q112 HydrophobicContact CD-CB 4.03Å; E108-Q112 VanDerWaalsContact O-CB 3.29Å; E108-Q112 WeakPolarHBondContact O-CB 3.34Å; E108-Q112 WeakPolarHBondContact O-CG 3.41Å; E108-Q112 PolarHBondContact O-N 2.96Å; E108-Q112 VanDerWaalsContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.5Å; M110-Q112 VanDerWaalsContact C-N 3.33Å; M110-Q112 PolarHBondContact O-N 3.38Å
113L96.1Very high96Very high61 Ų6162.4 Ų62.432%0.31933%0.333SS..THydrogen-bonded Turntrans-95.7-4.2169.1-69.4171.8000112.7K26 F29 A109 M110 Y111 L115K26-L113 HydrophobicContact CB-CD1 4.37Å; K26-L113 HydrophobicContact CD-CD2 4.36Å; K26-L113 HydrophobicContact CD-CG 4.14Å; K26-L113 HydrophobicContact CG-CD1 4Å; K26-L113 HydrophobicContact CG-CD2 4.4Å; K26-L113 HydrophobicContact CG-CG 4.01Å; F29-L113 HydrophobicContact CB-CD1 4.46Å; F29-L113 HydrophobicContact CD1-CD1 3.51Å; F29-L113 HydrophobicContact CE1-CD1 3.94Å; F29-L113 HydrophobicContact CG-CD1 4.07Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.31Å; A109-L113 PolarHBondContact O-N 2.93Å; M110-L113 HydrophobicContact CE-CD1 4.02Å; M110-L113 CarbonylContact O-C 3.55Å; M110-L113 WeakPolarHBondContact O-CA 3.14Å; M110-L113 WeakPolarHBondContact O-CB 3.4Å; M110-L113 PolarHBondContact O-N 2.72Å; Y111-L113 PolarHBondContact O-N 2.83Å; L113-L115 HydrophobicContact CB-CD1 4.41Å; L113-L115 HydrophobicContact CB-CG 4.43Å
114G95.8Very high96Very high67 Ų6760 Ų6069%0.69132%0.318SS*.THydrogen-bonded Turntrans79.128.8-17600000113.6M110 Y111M110-G114 PolarHBondContact O-N 3.38Å; M110-G114 VanDerWaalsContact O-N 3.14Å; Y111-G114 PolarHBondContact O-N 2.9Å
115L96.9Very high95.9Very high31 Ų3159.5 Ų59.516%0.16231%0.31CS..  trans-114.8139.6178.3-59.8175000110.3F29 F49 M110 Y111 L113 L120F29-L115 HydrophobicContact CE1-CD1 3.89Å; F29-L115 HydrophobicContact CE2-CD1 4.19Å; F29-L115 HydrophobicContact CZ-CD1 3.41Å; F29-L115 VanDerWaalsContact CZ-CD1 3.41Å; F49-L115 HydrophobicContact CB-CD1 4.32Å; F49-L115 HydrophobicContact CD1-CD1 4.19Å; F49-L115 HydrophobicContact CD1-CD2 4.42Å; F49-L115 HydrophobicContact CD2-CD2 3.7Å; F49-L115 HydrophobicContact CE1-CD2 4.49Å; F49-L115 HydrophobicContact CE2-CD2 3.81Å; F49-L115 HydrophobicContact CG-CD1 4.17Å; F49-L115 HydrophobicContact CG-CD2 4.04Å; F49-L115 HydrophobicContact CZ-CD2 4.21Å; M110-L115 CarbonylContact C-O 3.55Å; M110-L115 VanDerWaalsContact C-O 3.26Å; M110-L115 HydrophobicContact CB-CB 4.18Å; M110-L115 PolarHBondContact O-N 2.87Å; M110-L115 HydrophobicContact SD-CD1 4.14Å; Y111-L115 PolarHBondContact N-O 3.43Å; L113-L115 HydrophobicContact CB-CD1 4.41Å; L113-L115 HydrophobicContact CB-CG 4.43Å; L115-L120 HydrophobicContact CB-CD1 4.28Å; L115-L120 HydrophobicContact CD1-CD1 4.31Å
116D95.5Very high95.8Very high80 Ų8058.9 Ų58.943%0.42830%0.303SS..  trans-84.1129.2172.4-175.4-67.6000109E118 E119 L120D116-E118 PolarHBondContact OD1-N 3.49Å; D116-E118 VanDerWaalsContact OD1-N 3.09Å; D116-E119 HydrophobicContact CB-CB 4.11Å; D116-E119 HydrophobicContact CB-CG 4.02Å; D116-E119 PolarHBondContact OD1-N 2.98Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.32Å
117I95.6Very high95.5Very high17 Ų1759.3 Ų59.39%0.08731%0.307CS..Hα-helixtrans-79.1-37.1-175.6-178.461.1000111.1L53 M97 V106 M110 L120 E121L53-I117 HydrophobicContact CD2-CD1 3.56Å; M97-I117 HydrophobicContact CE-CD1 4.4Å; V106-I117 HydrophobicContact CG1-CD1 4.22Å; M110-I117 HydrophobicContact CG-CD1 4.13Å; I117-L120 PolarHBondContact O-N 3.16Å; I117-E121 HydrophobicContact CD1-CG 4.31Å; I117-E121 HydrophobicContact CG1-CG 4.36Å; I117-E121 WeakPolarHBondContact O-CG 3.49Å; I117-E121 PolarHBondContact O-N 2.94Å
118E92.9Very high95.3Very high122 Ų12255.6 Ų55.657%0.5729%0.287SS*.Hα-helixtrans-63.5-38.8176-67.396.1141.600112.8D116 E121 E122D116-E118 PolarHBondContact OD1-N 3.49Å; D116-E118 VanDerWaalsContact OD1-N 3.09Å; E118-E121 PolarHBondContact O-N 3.49Å; E118-E122 PolarHBondContact O-N 3.44Å
119E94.4Very high95Very high126 Ų12651.5 Ų51.559%0.58927%0.268SS*.Hα-helixtrans-59.5-44.9170.9-75.9-16416900111.5D116 E122 M123D116-E119 HydrophobicContact CB-CB 4.11Å; D116-E119 HydrophobicContact CB-CG 4.02Å; D116-E119 PolarHBondContact OD1-N 2.98Å; E119-E122 PolarHBondContact O-N 3.02Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.93Å
120L96.5Very high94.5Very high5 Ų551.6 Ų51.63%0.02627%0.27CS..Hα-helixtrans-70.8-30.6179.6-64-179000112.9F49 Y50 L53 M110 L115 D116 I117F49-L120 HydrophobicContact CB-CD1 4.46Å; F49-L120 HydrophobicContact CB-CD2 3.74Å; Y50-L120 VanDerWaalsContact CD2-O 3.27Å; Y50-L120 WeakPolarHBondContact CD2-O 3.37Å; L53-L120 HydrophobicContact CD2-CB 4.04Å; L53-L120 HydrophobicContact CD2-CD1 3.91Å; M110-L120 HydrophobicContact CG-CD1 4.48Å; M110-L120 HydrophobicContact SD-CD1 4.18Å; L115-L120 HydrophobicContact CB-CD1 4.28Å; L115-L120 HydrophobicContact CD1-CD1 4.31Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3.16Å
121E95.1Very high93.4Very high39 Ų3952.1 Ų52.118%0.18227%0.272CS..Hα-helixtrans-72.9-35.4173.2-72.7-172159.800112.4R91 L93 T94 M97 I117 E118 M123 E124R91-E121 PolarHBondContact NE-O 2.75Å; L93-E121 HydrophobicContact CD2-CG 4.01Å; L93-E121 HydrophobicContact CG-CG 4.43Å; T94-E121 HydrophobicContact CG2-CB 4.38Å; T94-E121 HydrophobicContact CG2-CG 4Å; T94-E121 WeakPolarHBondContact CG2-OE1 3.3Å; T94-E121 WeakPolarHBondContact CG2-OE2 3.21Å; M97-E121 WeakPolarHBondContact CE-OE1 3.46Å; I117-E121 HydrophobicContact CD1-CG 4.31Å; I117-E121 HydrophobicContact CG1-CG 4.36Å; I117-E121 WeakPolarHBondContact O-CG 3.49Å; I117-E121 PolarHBondContact O-N 2.94Å; E118-E121 PolarHBondContact O-N 3.49Å; E121-M123 VanDerWaalsContact C-N 3.27Å; E121-M123 PolarHBondContact O-N 3.31Å; E121-E124 PolarHBondContact O-N 3.37Å
122E93.1Very high92.6Very high78 Ų7844.3 Ų44.336%0.36425%0.246SC..Hα-helixtrans-70-21.9174.9-75.1-65.9160.100113.2R91 E118 E119 E124 K651R91-E122 IonicContact CZ-OE2 3.66Å; R91-E122 IonicContact NH1-OE1 2.77Å; R91-E122 PolarHBondContact NH1-OE1 2.69Å; R91-E122 VanDerWaalsContact NH1-OE1 3.12Å; R91-E122 IonicContact NH1-OE2 3.97Å; R91-E122 PolarHBondContact NH1-OE2 3.05Å; R91-E122 PolarHBondContact NH2-O 2.89Å; R91-E122 IonicContact NH2-OE2 3.71Å; R91-E122 PolarHBondContact NH2-OE2 3.24Å; E118-E122 PolarHBondContact O-N 3.44Å; E119-E122 PolarHBondContact O-N 3.02Å; E122-E124 PolarHBondContact O-N 3.43Å; E122-K651 WeakPolarHBondContact OE1-CE 3.4Å; E122-K651 IonicContact OE1-NZ 2.7Å; E122-K651 PolarHBondContact OE1-NZ 2.69Å
123M94Very high91.9Very high77 Ų7741.5 Ų41.538%0.37924%0.243SC..THydrogen-bonded Turntrans-66.6-18.6171.6-70.3-64.1-63.500114.1L47 Y50 E119 E121L47-M123 HydrophobicContact CB-CE 3.86Å; L47-M123 HydrophobicContact CD1-CE 4.11Å; Y50-M123 HydrophobicContact CD2-CB 4.44Å; Y50-M123 HydrophobicContact CG-CB 4.07Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.93Å; E121-M123 VanDerWaalsContact C-N 3.27Å; E121-M123 PolarHBondContact O-N 3.31Å
124E95.8Very high91.6Very high9 Ų939.6 Ų39.64%0.04223%0.233CC..SBendtrans-75.5132.1176.6-173.6174.2-160.300111.4Y50 R91 T92 L93 E121 E122 W187Y50-E124 HydrophobicContact CE2-CB 3.79Å; Y50-E124 HydrophobicContact CE2-CG 4.31Å; Y50-E124 WeakPolarHBondContact OH-CG 3.26Å; R91-E124 WeakPolarHBondContact CA-OE2 3.39Å; R91-E124 HydrophobicContact CB-CG 4.36Å; R91-E124 VanDerWaalsContact CB-OE2 3.31Å; R91-E124 WeakPolarHBondContact CB-OE2 3.38Å; R91-E124 HydrophobicContact CG-CB 3.98Å; R91-E124 HydrophobicContact CG-CG 3.91Å; R91-E124 PolarHBondContact NE-O 2.87Å; R91-E124 PolarHBondContact NH2-O 3.09Å; R91-E124 VanDerWaalsContact NH2-O 3.17Å; T92-E124 WeakPolarHBondContact CA-OE1 3.32Å; T92-E124 VanDerWaalsContact CB-OE1 3.3Å; T92-E124 WeakPolarHBondContact CB-OE1 3.37Å; T92-E124 PolarHBondContact N-OE1 2.74Å; T92-E124 PolarHBondContact N-OE2 3.49Å; L93-E124 VanDerWaalsContact CB-OE2 3.29Å; L93-E124 WeakPolarHBondContact CB-OE2 3.16Å; L93-E124 PolarHBondContact N-OE2 3.34Å; E121-E124 PolarHBondContact O-N 3.37Å; E122-E124 PolarHBondContact O-N 3.43Å; E124-W187 VanDerWaalsContact OE1-CD1 3.29Å; E124-W187 PolarHBondContact OE1-NE1 2.88Å
125S92.7Very high91.5Very high64 Ų6436.4 Ų36.445%0.44820%0.2SC..PPolyproline II helixtrans-78.2140169.8-53.30000111.5A127S125-A127 PolarHBondContact O-N 2.92Å
126D93.6Very high91.3Very high9 Ų935.5 Ų35.55%0.04820%0.195CC..PPolyproline II helixtrans-60.6129.7165.4-89.4-33.6000109.2G90 R91 G128 R645 V646 S647G90-D126 WeakPolarHBondContact CA-OD1 3.37Å; R91-D126 PolarHBondContact N-OD1 3.03Å; D126-G128 PolarHBondContact O-N 3.39Å; D126-G128 VanDerWaalsContact O-N 3.12Å; D126-R645 WeakPolarHBondContact OD2-CB 3.29Å; D126-R645 WeakPolarHBondContact OD2-CD 3.08Å; D126-R645 WeakPolarHBondContact OD2-CG 3.28Å; D126-R645 IonicContact OD2-NE 3.52Å; D126-V646 PolarHBondContact OD2-N 3.08Å; D126-S647 PolarHBondContact OD1-N 3.38Å; D126-S647 PolarHBondContact OD1-OG 3.05Å; D126-S647 VanDerWaalsContact OD2-CB 3.32Å; D126-S647 WeakPolarHBondContact OD2-CB 3.38Å; D126-S647 PolarHBondContact OD2-N 3.09Å; D126-S647 PolarHBondContact OD2-OG 2.67Å
127A92.7Very high91.3Very high9 Ų931.7 Ų31.77%0.07418%0.175CC..PPolyproline II helixtrans-63117.1-179.800000111.9S125 L129 W180S125-A127 PolarHBondContact O-N 2.92Å; A127-L129 HydrophobicContact CB-CD1 4.07Å; A127-L129 HydrophobicContact CB-CG 4.3Å; A127-L129 PolarHBondContact O-N 3.37Å; A127-W180 HydrophobicContact CB-CE3 4.04Å; A127-W180 HydrophobicContact CB-CH2 4.44Å; A127-W180 HydrophobicContact CB-CZ3 3.88Å
128G90.8Very high91.3Very high2 Ų230.9 Ų30.92%0.02117%0.17CC..SBendtrans-70.859.5177.200000112.9D126 G162 W180D126-G128 PolarHBondContact O-N 3.39Å; D126-G128 VanDerWaalsContact O-N 3.12Å; G128-G162 WeakPolarHBondContact O-CA 3.39Å; G128-W180 VanDerWaalsContact N-CD2 3.33Å
129L91.7Very high91.5Very high8 Ų825.1 Ų25.14%0.04214%0.144CC..SBendtrans-122.18.9-173.5-67.2174.9000113.2E86 F87 A127 W180 L242E86-L129 CarbonylContact C-O 3.49Å; E86-L129 VanDerWaalsContact CA-O 3.25Å; E86-L129 WeakPolarHBondContact CA-O 3.38Å; E86-L129 WeakPolarHBondContact CB-O 3.07Å; F87-L129 CarbonylContact C-O 3.56Å; F87-L129 PolarHBondContact N-O 3.18Å; F87-L129 WeakPolarHBondContact O-CB 3.49Å; A127-L129 HydrophobicContact CB-CD1 4.07Å; A127-L129 HydrophobicContact CB-CG 4.3Å; A127-L129 PolarHBondContact O-N 3.37Å; L129-W180 HydrophobicContact CD1-CH2 3.94Å; L129-W180 HydrophobicContact CD1-CZ2 4.3Å; L129-W180 HydrophobicContact CD2-CH2 4.1Å; L129-W180 HydrophobicContact CD2-CZ2 3.65Å; L129-W180 HydrophobicContact CG-CH2 3.93Å; L129-W180 HydrophobicContact CG-CZ2 3.77Å; L129-L242 HydrophobicContact CD1-CD1 3.46Å; L129-L242 VanDerWaalsContact CD1-CD1 3.46Å; L129-L242 HydrophobicContact CD2-CD1 4.06Å; L129-L242 HydrophobicContact CG-CD1 4.42Å
130G87.5Confident91.6Very high3 Ų319.2 Ų19.23%0.03112%0.116CC..  trans-172.5173.5176.200000114.9E86E86-G130 WeakPolarHBondContact OE2-CA 3.17Å
131N75.7Confident91.7Very high13 Ų1319 Ų197%0.0712%0.115CC..  trans-138.2103.6177.1177.89.2000112E86 I163 R565E86-N131 PolarHBondContact OE2-N 3.5Å; N131-I163 HydrophobicContact CB-CD1 3.97Å; N131-I163 HydrophobicContact CB-CG2 4.02Å; N131-I163 WeakPolarHBondContact ND2-CD1 3.49Å; N131-R565 PolarHBondContact O-NE 2.96Å; N131-R565 PolarHBondContact O-NH2 3.39Å
132G79.9Confident91.9Very high15 Ų1517.2 Ų17.216%0.15511%0.107CC..SBendtrans79.7-134.8167.900000113.3R136G132-R136 WeakPolarHBondContact O-CB 3.44Å; G132-R136 PolarHBondContact O-N 2.84Å
133G84.3Confident92.1Very high37 Ų3713.8 Ų13.838%0.3819%0.091SC..Hα-helixtrans-64.8-53.5-163.600000115.1R136 L137G133-R136 PolarHBondContact O-N 3.01Å; G133-L137 WeakPolarHBondContact O-CB 3.4Å; G133-L137 PolarHBondContact O-N 3.38Å
134L89.7Confident92.3Very high20 Ų2010.1 Ų10.111%0.1057%0.073CC..Hα-helixtrans-65.9-53.3-169-176.865.1000112.4R136 L137 A138 N332 D333 H371L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.37Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 2.98Å; L134-A138 PolarHBondContact O-N 2.91Å; L134-N332 WeakPolarHBondContact CD1-ND2 3.43Å; L134-D333 HydrophobicContact CD2-CB 4.04Å; L134-H371 HydrophobicContact CD1-CB 4.18Å
135G92.4Very high92.4Very high0 Ų09.7 Ų9.70%07%0.071CC..Hα-helixtrans-64.2-31.7176.400000112.6E86 Y88 A139E86-G135 WeakPolarHBondContact O-CA 3.49Å; E86-G135 WeakPolarHBondContact OE2-CA 3.38Å; E86-G135 PolarHBondContact OE2-N 3.35Å; Y88-G135 VanDerWaalsContact N-C 3.26Å; Y88-G135 PolarHBondContact N-O 2.92Å; G135-A139 WeakPolarHBondContact O-CB 3.44Å; G135-A139 PolarHBondContact O-N 3.45Å
136R94.2Very high92.6Very high12 Ų126.7 Ų6.75%0.0455%0.05CC..Hα-helixtrans-72.5-33.7177.2-168.158.7-99.5-164.41.2112.5Y88 M89 G132 G133 L134 C140 W485Y88-R136 WeakPolarHBondContact O-CD 3.49Å; Y88-R136 PolarHBondContact O-NE 3.21Å; Y88-R136 PolarHBondContact O-NH1 3.42Å; M89-R136 VanDerWaalsContact C-NH1 3.33Å; M89-R136 PolarHBondContact O-NH1 2.91Å; G132-R136 WeakPolarHBondContact O-CB 3.44Å; G132-R136 PolarHBondContact O-N 2.84Å; G133-R136 PolarHBondContact O-N 3.01Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.37Å; R136-C140 PolarHBondContact O-N 2.64Å; R136-C140 VanDerWaalsContact O-N 3.11Å; R136-C140 PolarHBondContact O-SG 3.44Å; R136-W485 HydrophobicContact CG-CZ2 4.11Å
137L94.2Very high92.8Very high1 Ų16.9 Ų6.91%0.0055%0.051CC..Hα-helixtrans-63.5-52.4170178.877.3000110.4G133 L134 A139 C140 F141 H371 N478 T672G133-L137 WeakPolarHBondContact O-CB 3.4Å; G133-L137 PolarHBondContact O-N 3.38Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 2.98Å; L137-A139 PolarHBondContact O-N 3.1Å; L137-C140 CarbonylContact O-C 3.55Å; L137-C140 WeakPolarHBondContact O-CA 3.42Å; L137-C140 WeakPolarHBondContact O-CB 3.38Å; L137-C140 PolarHBondContact O-N 2.72Å; L137-F141 HydrophobicContact CD1-CD1 4.11Å; L137-F141 HydrophobicContact CD1-CE1 3.48Å; L137-F141 VanDerWaalsContact CD1-CE1 3.48Å; L137-F141 HydrophobicContact CD1-CE2 4.48Å; L137-F141 HydrophobicContact CD1-CZ 3.7Å; L137-F141 HydrophobicContact CD2-CE2 4.27Å; L137-F141 HydrophobicContact CD2-CZ 4.14Å; L137-F141 HydrophobicContact CG-CD1 4.31Å; L137-F141 HydrophobicContact CG-CE1 3.97Å; L137-F141 HydrophobicContact CG-CE2 4.21Å; L137-F141 HydrophobicContact CG-CZ 3.91Å; L137-F141 PolarHBondContact O-N 3.4Å; L137-H371 VanDerWaalsContact CD2-CE1 3.48Å; L137-H371 WeakPolarHBondContact CD2-CE1 3.46Å; L137-N478 HydrophobicContact CD1-CB 3.86Å; L137-N478 WeakPolarHBondContact CD2-OD1 3.21Å; L137-T672 HydrophobicContact CD1-CG2 4.15Å
138A96.3Very high93Very high0 Ų06.9 Ų6.90%05%0.05CC..Hα-helixtrans-55-41.5178.400000111.7Y82 F87 L134 F141 L142Y82-A138 HydrophobicContact CD1-CB 4.47Å; Y82-A138 HydrophobicContact CE1-CB 3.92Å; F87-A138 HydrophobicContact CD1-CB 3.67Å; F87-A138 HydrophobicContact CE1-CB 3.73Å; F87-A138 HydrophobicContact CG-CB 4.45Å; L134-A138 PolarHBondContact O-N 2.91Å; A138-F141 PolarHBondContact O-N 3.45Å; A138-L142 WeakPolarHBondContact O-CG 3.19Å; A138-L142 PolarHBondContact O-N 2.82Å; A138-L142 VanDerWaalsContact O-N 3.08Å
139A96.6Very high93.3Very high1 Ų17.3 Ų7.31%0.0086%0.055CC..Hα-helixtrans-66-33173.200000114.3M89 G135 L137 D143M89-A139 HydrophobicContact SD-CB 3.52Å; M89-A139 VanDerWaalsContact SD-CB 3.52Å; G135-A139 WeakPolarHBondContact O-CB 3.44Å; G135-A139 PolarHBondContact O-N 3.45Å; L137-A139 PolarHBondContact O-N 3.1Å; A139-D143 PolarHBondContact O-N 3.09Å
140C97.6Very high93.6Very high1 Ų17.2 Ų7.21%0.0075%0.054CC..Hα-helixtrans-71.6-34.6171.8-60.70000111.7R136 L137 D143 S144 T481R136-C140 PolarHBondContact O-N 2.64Å; R136-C140 VanDerWaalsContact O-N 3.11Å; R136-C140 PolarHBondContact O-SG 3.44Å; L137-C140 CarbonylContact O-C 3.55Å; L137-C140 WeakPolarHBondContact O-CA 3.42Å; L137-C140 WeakPolarHBondContact O-CB 3.38Å; L137-C140 PolarHBondContact O-N 2.72Å; C140-D143 PolarHBondContact O-N 3.16Å; C140-S144 WeakPolarHBondContact O-CB 3.46Å; C140-S144 PolarHBondContact O-N 3.24Å; C140-S144 PolarHBondContact O-OG 3.13Å; C140-T481 HydrophobicContact CB-CG2 4.15Å
141F98.1Very high94Very high0 Ų07.4 Ų7.40%06%0.055CC..Hα-helixtrans-67.5-35.4177.6-78.810.7000112.4Y82 L137 A138 M145 T812 I813 Y816Y82-F141 AromaticContact CE2-CD2 3.6Å; Y82-F141 HydrophobicContact CE2-CD2 3.6Å; Y82-F141 HydrophobicContact CE2-CE2 4.25Å; Y82-F141 AromaticContact CZ-CD2 3.64Å; Y82-F141 WeakPolarHBondContact OH-CD2 3.25Å; L137-F141 HydrophobicContact CD1-CD1 4.11Å; L137-F141 HydrophobicContact CD1-CE1 3.48Å; L137-F141 VanDerWaalsContact CD1-CE1 3.48Å; L137-F141 HydrophobicContact CD1-CE2 4.48Å; L137-F141 HydrophobicContact CD1-CZ 3.7Å; L137-F141 HydrophobicContact CD2-CE2 4.27Å; L137-F141 HydrophobicContact CD2-CZ 4.14Å; L137-F141 HydrophobicContact CG-CD1 4.31Å; L137-F141 HydrophobicContact CG-CE1 3.97Å; L137-F141 HydrophobicContact CG-CE2 4.21Å; L137-F141 HydrophobicContact CG-CZ 3.91Å; L137-F141 PolarHBondContact O-N 3.4Å; A138-F141 PolarHBondContact O-N 3.45Å; F141-M145 WeakPolarHBondContact O-CB 3.21Å; F141-M145 WeakPolarHBondContact O-CE 3.31Å; F141-M145 VanDerWaalsContact O-CG 3.31Å; F141-M145 WeakPolarHBondContact O-CG 3.39Å; F141-M145 PolarHBondContact O-N 3.15Å; F141-T812 HydrophobicContact CE1-CG2 3.89Å; F141-T812 HydrophobicContact CZ-CG2 3.59Å; F141-I813 HydrophobicContact CB-CD1 3.83Å; F141-I813 HydrophobicContact CB-CG1 4.24Å; F141-I813 HydrophobicContact CD1-CD1 3.89Å; F141-I813 HydrophobicContact CD1-CG1 4.02Å; F141-I813 HydrophobicContact CD2-CD1 3.69Å; F141-I813 HydrophobicContact CE1-CD1 4.35Å; F141-I813 HydrophobicContact CE2-CD1 4.18Å; F141-I813 HydrophobicContact CG-CD1 3.54Å; F141-I813 HydrophobicContact CG-CG1 4.07Å; F141-I813 HydrophobicContact CZ-CD1 4.48Å; F141-Y816 HydrophobicContact CE2-CE2 4.31Å; F141-Y816 HydrophobicContact CZ-CE2 4.41Å
142L98.2Very high95.1Very high3 Ų36.9 Ų6.92%0.0165%0.052CC..Hα-helixtrans-63.3-47.1171.8-66.7175.8000112.6F87 M89 A138 M145 A146 V229 L240F87-L142 HydrophobicContact CD1-CD1 3.42Å; F87-L142 VanDerWaalsContact CD1-CD1 3.42Å; F87-L142 HydrophobicContact CD1-CG 4.15Å; F87-L142 HydrophobicContact CE1-CD1 3.6Å; F87-L142 HydrophobicContact CE1-CD2 4.29Å; F87-L142 HydrophobicContact CE1-CG 3.96Å; F87-L142 HydrophobicContact CG-CD1 4.36Å; M89-L142 HydrophobicContact SD-CD1 4.17Å; A138-L142 WeakPolarHBondContact O-CG 3.19Å; A138-L142 PolarHBondContact O-N 2.82Å; A138-L142 VanDerWaalsContact O-N 3.08Å; L142-M145 HydrophobicContact CD2-CE 3.91Å; L142-M145 PolarHBondContact O-N 2.96Å; L142-A146 WeakPolarHBondContact O-CB 3.45Å; L142-A146 PolarHBondContact O-N 3.03Å; L142-V229 HydrophobicContact CB-CG1 4.1Å; L142-V229 HydrophobicContact CB-CG2 4.48Å; L142-V229 HydrophobicContact CD1-CG2 4.45Å; L142-L240 HydrophobicContact CD1-CB 4.12Å; L142-L240 HydrophobicContact CD1-CD1 4.14Å; L142-L240 HydrophobicContact CD1-CD2 4.2Å; L142-L240 HydrophobicContact CD1-CG 4.38Å
143D97.6Very high95.9Very high6 Ų66.7 Ų6.73%0.0325%0.047CC..Hα-helixtrans-59.2-44175.7173.6-86.3000111.6A139 C140 T147 T481 R483A139-D143 PolarHBondContact O-N 3.09Å; C140-D143 PolarHBondContact O-N 3.16Å; D143-T147 VanDerWaalsContact O-CB 3.25Å; D143-T147 WeakPolarHBondContact O-CB 3.45Å; D143-T147 PolarHBondContact O-N 2.85Å; D143-T147 PolarHBondContact O-OG1 2.91Å; D143-T481 VanDerWaalsContact OD1-CB 3.23Å; D143-T481 WeakPolarHBondContact OD1-CB 3.49Å; D143-T481 PolarHBondContact OD1-OG1 3.18Å; D143-R483 IonicContact OD1-CZ 3.75Å; D143-R483 VanDerWaalsContact OD1-CZ 3.23Å; D143-R483 IonicContact OD1-NE 2.73Å; D143-R483 PolarHBondContact OD1-NE 3.29Å; D143-R483 IonicContact OD1-NH2 3.24Å; D143-R483 PolarHBondContact OD1-NH2 3.32Å; D143-R483 IonicContact OD2-NE 3.42Å
144S98.3Very high96.6Very high0 Ų04.9 Ų4.90%03%0.029CC..Hα-helixtrans-66.1-44.1174.1-740000113.2C140 A146 T147 L148 S809 D810C140-S144 WeakPolarHBondContact O-CB 3.46Å; C140-S144 PolarHBondContact O-N 3.24Å; C140-S144 PolarHBondContact O-OG 3.13Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 2.87Å; S144-T147 PolarHBondContact O-N 3.08Å; S144-L148 VanDerWaalsContact O-CB 3.23Å; S144-L148 WeakPolarHBondContact O-CB 3.24Å; S144-L148 VanDerWaalsContact O-CG 3.24Å; S144-L148 WeakPolarHBondContact O-CG 3.06Å; S144-L148 PolarHBondContact O-N 3.33Å; S144-S809 VanDerWaalsContact OG-C 3.22Å; S144-S809 VanDerWaalsContact OG-CB 3.32Å; S144-S809 WeakPolarHBondContact OG-CB 3.22Å; S144-S809 PolarHBondContact OG-O 2.91Å; S144-S809 PolarHBondContact OG-OG 3.29Å; S144-D810 WeakPolarHBondContact CA-OD1 3.07Å; S144-D810 WeakPolarHBondContact CB-OD1 3.42Å; S144-D810 PolarHBondContact OG-N 2.92Å; S144-D810 PolarHBondContact OG-OD1 2.79Å
145M98.3Very high97.1Very high0 Ų04 Ų40%02%0.024CC..Hα-helixtrans-62.9-39.7177.3-76.5-174.5-70.700112.1I80 Y82 F141 L142 G149 L150 A152 I813 W821I80-M145 HydrophobicContact CB-SD 4.47Å; I80-M145 HydrophobicContact CG2-SD 4.02Å; Y82-M145 HydrophobicContact CD2-CE 4.37Å; Y82-M145 HydrophobicContact CG-CE 4.47Å; F141-M145 WeakPolarHBondContact O-CB 3.21Å; F141-M145 WeakPolarHBondContact O-CE 3.31Å; F141-M145 VanDerWaalsContact O-CG 3.31Å; F141-M145 WeakPolarHBondContact O-CG 3.39Å; F141-M145 PolarHBondContact O-N 3.15Å; L142-M145 HydrophobicContact CD2-CE 3.91Å; L142-M145 PolarHBondContact O-N 2.96Å; M145-G149 PolarHBondContact O-N 3.27Å; M145-L150 HydrophobicContact CB-CB 4.33Å; M145-L150 HydrophobicContact CG-CD1 4.12Å; M145-L150 PolarHBondContact O-N 3.42Å; M145-A152 HydrophobicContact CB-CB 3.84Å; M145-A152 HydrophobicContact CE-CB 4.15Å; M145-A152 HydrophobicContact CG-CB 4.21Å; M145-A152 HydrophobicContact SD-CB 3.52Å; M145-A152 VanDerWaalsContact SD-CB 3.52Å; M145-I813 HydrophobicContact CB-CG2 4.44Å; M145-I813 HydrophobicContact CG-CD1 4.3Å; M145-I813 HydrophobicContact CG-CG1 4.33Å; M145-I813 HydrophobicContact CG-CG2 3.52Å; M145-W821 HydrophobicContact CG-CH2 4.48Å; M145-W821 HydrophobicContact CG-CZ3 4.27Å; M145-W821 HydrophobicContact SD-CH2 3.68Å; M145-W821 HydrophobicContact SD-CZ3 3.73Å
146A97.7Very high97.3Very high0 Ų04 Ų40%02%0.024CC..Hα-helixtrans-67.2-42.9174.500000112L142 S144 L148 G149 V229 G231 N234 T236 N238L142-A146 WeakPolarHBondContact O-CB 3.45Å; L142-A146 PolarHBondContact O-N 3.03Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 2.87Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 3.46Å; A146-G149 PolarHBondContact O-N 3Å; A146-V229 HydrophobicContact CB-CG1 4.36Å; A146-G231 VanDerWaalsContact C-CA 3.49Å; A146-N234 PolarHBondContact O-ND2 2.91Å; A146-T236 WeakPolarHBondContact O-CB 3.5Å; A146-T236 WeakPolarHBondContact O-CG2 3.38Å; A146-N238 WeakPolarHBondContact CA-ND2 2.86Å; A146-N238 HydrophobicContact CB-CB 4.2Å; A146-N238 PolarHBondContact N-ND2 3.25Å
147T97.7Very high97.5Very high13 Ų133.4 Ų3.48%0.082%0.022CC..Hα-helixtrans-65-34.3177.6-62.50000112.6D143 S144 G149 Y232 N234 V509D143-T147 VanDerWaalsContact O-CB 3.25Å; D143-T147 WeakPolarHBondContact O-CB 3.45Å; D143-T147 PolarHBondContact O-N 2.85Å; D143-T147 PolarHBondContact O-OG1 2.91Å; S144-T147 PolarHBondContact O-N 3.08Å; T147-G149 VanDerWaalsContact C-N 3.29Å; T147-G149 PolarHBondContact O-N 2.92Å; T147-Y232 PolarHBondContact OG1-N 2.75Å; T147-N234 PolarHBondContact O-ND2 3.12Å; T147-V509 HydrophobicContact CG2-CB 4.39Å; T147-V509 HydrophobicContact CG2-CG1 3.71Å
148L97.1Very high97.6Very high9 Ų94.4 Ų4.45%0.0473%0.026CC..THydrogen-bonded Turntrans-869.4176.7-68.4170.5000114.1S144 A146 L150 D810 I813 R814 P825 S826S144-L148 VanDerWaalsContact O-CB 3.23Å; S144-L148 WeakPolarHBondContact O-CB 3.24Å; S144-L148 VanDerWaalsContact O-CG 3.24Å; S144-L148 WeakPolarHBondContact O-CG 3.06Å; S144-L148 PolarHBondContact O-N 3.33Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 3.46Å; L148-L150 HydrophobicContact CB-CD1 4.35Å; L148-L150 HydrophobicContact CB-CG 4.28Å; L148-L150 PolarHBondContact O-N 3.16Å; L148-L150 VanDerWaalsContact O-N 3.15Å; L148-D810 HydrophobicContact CD1-CB 4.39Å; L148-I813 HydrophobicContact CD1-CB 3.9Å; L148-I813 HydrophobicContact CD1-CG2 3.6Å; L148-R814 HydrophobicContact CD1-CB 4.47Å; L148-P825 HydrophobicContact CB-CB 4.22Å; L148-P825 HydrophobicContact CD2-CB 4.29Å; L148-S826 PolarHBondContact O-N 2.8Å
149G96.1Very high97.5Very high12 Ų124.4 Ų4.412%0.1243%0.026CC..THydrogen-bonded Turntrans65.615.7175.700000115M145 A146 T147M145-G149 PolarHBondContact O-N 3.27Å; A146-G149 PolarHBondContact O-N 3Å; T147-G149 VanDerWaalsContact C-N 3.29Å; T147-G149 PolarHBondContact O-N 2.92Å
150L97.3Very high97.4Very high6 Ų66.2 Ų6.23%0.0314%0.035CC..  trans-77.3133.5-178.5-66.6172.9000110.4Y72 I80 M145 L148 A152 N238 I813 A817 V823 P825Y72-L150 PolarHBondContact OH-O 2.89Å; I80-L150 HydrophobicContact CD1-CB 4.2Å; M145-L150 HydrophobicContact CB-CB 4.33Å; M145-L150 HydrophobicContact CG-CD1 4.12Å; M145-L150 PolarHBondContact O-N 3.42Å; L148-L150 HydrophobicContact CB-CD1 4.35Å; L148-L150 HydrophobicContact CB-CG 4.28Å; L148-L150 PolarHBondContact O-N 3.16Å; L148-L150 VanDerWaalsContact O-N 3.15Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.22Å; L150-N238 PolarHBondContact O-ND2 2.91Å; L150-N238 PolarHBondContact O-OD1 3.46Å; L150-I813 HydrophobicContact CD1-CG2 3.59Å; L150-A817 HydrophobicContact CD1-CB 4Å; L150-A817 HydrophobicContact CD2-CB 4.35Å; L150-V823 HydrophobicContact CD2-CG2 3.89Å; L150-P825 HydrophobicContact CD2-CG 4.47Å
151A96.7Very high97.1Very high7 Ų710.7 Ų10.76%0.0585%0.053CC..  trans-73.580.6179.900000111.5Y72 P77 R79 I80Y72-A151 HydrophobicContact CD1-CB 3.61Å; Y72-A151 HydrophobicContact CD2-CB 4.2Å; Y72-A151 HydrophobicContact CE1-CB 3.59Å; Y72-A151 HydrophobicContact CE2-CB 4.19Å; Y72-A151 HydrophobicContact CG-CB 3.93Å; P77-A151 HydrophobicContact CB-CB 4.34Å; P77-A151 HydrophobicContact CG-CB 3.62Å; R79-A151 VanDerWaalsContact CA-O 3.29Å; R79-A151 WeakPolarHBondContact CA-O 3.1Å; R79-A151 HydrophobicContact CG-CB 4.4Å; I80-A151 WeakPolarHBondContact CD1-O 3.45Å; I80-A151 PolarHBondContact N-O 2.89Å
152A97.7Very high96.6Very high1 Ų110.7 Ų10.71%0.0085%0.053CC..EExtended strand (participates in β ladder)trans-122.3152.5-165.800000114.1I80 M145 L150 N238I80-A152 HydrophobicContact CB-CB 4.04Å; I80-A152 CarbonylContact O-C 3.58Å; I80-A152 WeakPolarHBondContact O-CA 3.4Å; M145-A152 HydrophobicContact CB-CB 3.84Å; M145-A152 HydrophobicContact CE-CB 4.15Å; M145-A152 HydrophobicContact CG-CB 4.21Å; M145-A152 HydrophobicContact SD-CB 3.52Å; M145-A152 VanDerWaalsContact SD-CB 3.52Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.22Å; A152-N238 PolarHBondContact N-OD1 3.11Å; A152-N238 WeakPolarHBondContact O-CB 3.32Å; A152-N238 VanDerWaalsContact O-CG 3.28Å; A152-N238 PolarHBondContact O-OD1 2.97Å
153Y98.5Very high96Very high11 Ų1111.3 Ų11.34%0.0436%0.056CC..EExtended strand (participates in β ladder)trans-127.8140169.8-90.6-104.2000110.6Q69 I80 Y81 Y82 Y155 T239 R241 R309Q69-Y153 PolarHBondContact OE1-OH 2.94Å; I80-Y153 PolarHBondContact O-N 3.34Å; Y81-Y153 HydrophobicContact CE1-CD2 4.26Å; Y81-Y153 HydrophobicContact CE1-CG 4.27Å; Y82-Y153 PolarHBondContact N-O 3.1Å; Y153-Y155 VanDerWaalsContact CB-CE2 3.42Å; Y153-Y155 AromaticContact CD1-CE2 3.75Å; Y153-Y155 HydrophobicContact CD1-CE2 3.75Å; Y153-Y155 AromaticContact CG-CE2 3.85Å; Y153-Y155 HydrophobicContact CG-CE2 3.85Å; Y153-T239 CarbonylContact C-O 3.26Å; Y153-T239 VanDerWaalsContact CA-O 3.29Å; Y153-T239 WeakPolarHBondContact CA-O 2.83Å; Y153-T239 HydrophobicContact CD1-CG2 4.1Å; Y153-T239 HydrophobicContact CE1-CG2 3.56Å; Y153-R241 HydrophobicContact CD1-CB 4.37Å; Y153-R309 PolarHBondContact OH-NH1 2.95Å
154G98.7Very high95.7Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-90.3141.9157.700000110.3Y82 T239 R241Y82-G154 CarbonylContact O-C 3.6Å; Y82-G154 WeakPolarHBondContact O-CA 3.33Å; G154-T239 PolarHBondContact N-O 2.87Å; G154-R241 PolarHBondContact O-N 2.98Å
155Y98.8Very high95.5Very high0 Ų014.7 Ų14.70%07%0.072CC..EExtended strand (participates in β ladder)trans-130.2123.6173.6-81.3-93.4000110.6Y81 Y82 S84 F87 Y153 R241 W243 T302 D305 R309Y81-Y155 HydrophobicContact CD1-CD2 4.12Å; Y81-Y155 AromaticContact CD1-CE2 3.56Å; Y81-Y155 HydrophobicContact CD1-CE2 3.56Å; Y81-Y155 AromaticContact CE1-CE2 3.98Å; Y81-Y155 HydrophobicContact CE1-CE2 3.98Å; Y82-Y155 PolarHBondContact O-N 3.43Å; S84-Y155 PolarHBondContact N-O 2.74Å; F87-Y155 WeakPolarHBondContact CE2-O 3.44Å; Y153-Y155 VanDerWaalsContact CB-CE2 3.42Å; Y153-Y155 AromaticContact CD1-CE2 3.75Å; Y153-Y155 HydrophobicContact CD1-CE2 3.75Å; Y153-Y155 AromaticContact CG-CE2 3.85Å; Y153-Y155 HydrophobicContact CG-CE2 3.85Å; Y155-R241 WeakPolarHBondContact CA-O 3.48Å; Y155-R241 HydrophobicContact CD1-CB 4.01Å; Y155-R241 HydrophobicContact CD1-CG 3.99Å; Y155-R241 HydrophobicContact CE1-CB 3.86Å; Y155-R241 VanDerWaalsContact CE1-CD 3.42Å; Y155-R241 HydrophobicContact CE1-CG 3.69Å; Y155-W243 HydrophobicContact CD1-CZ2 4.11Å; Y155-W243 AromaticContact CD1-NE1 3.56Å; Y155-W243 AromaticContact CE1-CZ2 3.76Å; Y155-W243 HydrophobicContact CE1-CZ2 3.76Å; Y155-T302 HydrophobicContact CD1-CG2 3.5Å; Y155-T302 VanDerWaalsContact CD1-CG2 3.5Å; Y155-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y155-T302 WeakPolarHBondContact CD1-OG1 3.31Å; Y155-T302 HydrophobicContact CD2-CG2 3.88Å; Y155-T302 HydrophobicContact CE1-CG2 3.95Å; Y155-T302 HydrophobicContact CE2-CG2 4.33Å; Y155-T302 HydrophobicContact CG-CG2 3.43Å; Y155-T302 VanDerWaalsContact CG-CG2 3.43Å; Y155-D305 HydrophobicContact CE1-CB 4.43Å; Y155-D305 PolarHBondContact OH-OD2 3.16Å; Y155-R309 PolarHBondContact OH-NE 3.09Å
156G97.8Very high95.4Very high0 Ų014.8 Ų14.80%07%0.072CC..EExtended strand (participates in β ladder)trans-151.6-166.9178.900000112.8S84 R241 L242 W243S84-G156 WeakPolarHBondContact O-CA 3.22Å; G156-R241 PolarHBondContact N-O 2.78Å; G156-R241 VanDerWaalsContact N-O 3.11Å; G156-L242 WeakPolarHBondContact O-CA 3.28Å; G156-W243 PolarHBondContact O-N 2.76Å
157I97.2Very high95.3Very high1 Ų115.6 Ų15.61%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-103.9139.7177.9-62-177.9000109.7L85 Y159 Q294 F297 L298L85-I157 HydrophobicContact CD2-CD1 3.73Å; L85-I157 HydrophobicContact CD2-CG1 4.26Å; I157-Y159 HydrophobicContact CB-CD2 4.31Å; I157-Y159 HydrophobicContact CB-CE1 4.11Å; I157-Y159 HydrophobicContact CB-CE2 3.78Å; I157-Y159 HydrophobicContact CG2-CD1 3.95Å; I157-Y159 HydrophobicContact CG2-CD2 4.38Å; I157-Y159 HydrophobicContact CG2-CE1 3.71Å; I157-Y159 HydrophobicContact CG2-CE2 4.17Å; I157-Y159 HydrophobicContact CG2-CG 4.3Å; I157-Y159 WeakPolarHBondContact O-CD2 3.44Å; I157-Y159 PolarHBondContact O-N 2.74Å; I157-Q294 HydrophobicContact CD1-CB 3.73Å; I157-Q294 HydrophobicContact CD1-CG 4Å; I157-Q294 WeakPolarHBondContact CD1-O 3.16Å; I157-F297 HydrophobicContact CD1-CD1 4.2Å; I157-F297 HydrophobicContact CG1-CD1 4.34Å; I157-L298 HydrophobicContact CD1-CB 4.41Å; I157-L298 HydrophobicContact CG1-CB 4.25Å
158R96.6Very high95.3Very high21 Ų2116.6 Ų16.68%0.0798%0.082CC..  trans-85.885.9174.4-168.9-177.3162.5-76.512.3109.5D160 E188 Y225 L242 W243R158-D160 IonicContact NH1-OD1 2.74Å; R158-D160 PolarHBondContact NH1-OD1 3.25Å; R158-D160 PolarHBondContact O-N 3.04Å; R158-E188 IonicContact CZ-OE1 3.01Å; R158-E188 VanDerWaalsContact CZ-OE1 3.3Å; R158-E188 IonicContact CZ-OE2 3.18Å; R158-E188 VanDerWaalsContact NE-CD 3.31Å; R158-E188 IonicContact NE-OE1 3.31Å; R158-E188 PolarHBondContact NE-OE1 3Å; R158-E188 IonicContact NE-OE2 2.71Å; R158-E188 PolarHBondContact NE-OE2 2.79Å; R158-E188 IonicContact NH2-OE1 2.79Å; R158-E188 PolarHBondContact NH2-OE1 3.31Å; R158-E188 IonicContact NH2-OE2 2.74Å; R158-Y225 VanDerWaalsContact CD-CG 3.4Å; R158-L242 HydrophobicContact CB-CB 3.65Å; R158-L242 HydrophobicContact CG-CB 4.3Å; R158-W243 PolarHBondContact N-O 3.36Å
159Y95.5Very high95.3Very high0 Ų022 Ų220%010%0.102CC..  trans-70.1122.1179.7-64.3-72.6000112.2L85 I157 Y161 W180 S275 V277 L278L85-Y159 WeakPolarHBondContact O-CE2 3.48Å; I157-Y159 HydrophobicContact CB-CD2 4.31Å; I157-Y159 HydrophobicContact CB-CE1 4.11Å; I157-Y159 HydrophobicContact CB-CE2 3.78Å; I157-Y159 HydrophobicContact CG2-CD1 3.95Å; I157-Y159 HydrophobicContact CG2-CD2 4.38Å; I157-Y159 HydrophobicContact CG2-CE1 3.71Å; I157-Y159 HydrophobicContact CG2-CE2 4.17Å; I157-Y159 HydrophobicContact CG2-CG 4.3Å; I157-Y159 WeakPolarHBondContact O-CD2 3.44Å; I157-Y159 PolarHBondContact O-N 2.74Å; Y159-Y161 VanDerWaalsContact C-N 3.3Å; Y159-Y161 PolarHBondContact O-N 2.75Å; Y159-W180 PolarHBondContact O-NE1 3.08Å; Y159-S275 CarbonylContact C-O 3.57Å; Y159-S275 VanDerWaalsContact CA-O 3.29Å; Y159-S275 WeakPolarHBondContact CA-O 3.36Å; Y159-V277 VanDerWaalsContact CD1-C 3.42Å; Y159-V277 WeakPolarHBondContact CE1-O 3.44Å; Y159-L278 HydrophobicContact CD1-CB 4.02Å; Y159-L278 HydrophobicContact CD2-CB 3.85Å; Y159-L278 HydrophobicContact CE1-CB 3.96Å; Y159-L278 HydrophobicContact CE2-CB 3.78Å; Y159-L278 HydrophobicContact CE2-CD1 3.67Å; Y159-L278 HydrophobicContact CE2-CD2 4.49Å; Y159-L278 HydrophobicContact CE2-CG 4.16Å; Y159-L278 HydrophobicContact CG-CB 3.94Å; Y159-L278 WeakPolarHBondContact OH-CD1 3.46Å
160D93.8Very high95.3Very high39 Ų3928.4 Ų28.421%0.20913%0.133CC..SBendtrans-67.1-29.3-179.8-66.1-49.3000112.9R158 S275 R276R158-D160 IonicContact NH1-OD1 2.74Å; R158-D160 PolarHBondContact NH1-OD1 3.25Å; R158-D160 PolarHBondContact O-N 3.04Å; D160-S275 PolarHBondContact N-O 2.88Å; D160-R276 PolarHBondContact N-O 3.28Å
161Y90.9Very high95.3Very high95 Ų9528.6 Ų28.637%0.37314%0.137SC..SBendtrans-130.118.5-177.5-58.5-75.3000114.8Y159 I163 P177 D178 R276Y159-Y161 VanDerWaalsContact C-N 3.3Å; Y159-Y161 PolarHBondContact O-N 2.75Å; Y161-I163 PolarHBondContact O-N 3.12Å; Y161-P177 HydrophobicContact CD1-CB 3.73Å; Y161-P177 HydrophobicContact CE1-CB 4.25Å; Y161-P177 HydrophobicContact CG-CB 4.29Å; Y161-D178 WeakPolarHBondContact CA-O 3.27Å; Y161-D178 WeakPolarHBondContact O-CB 3.44Å; Y161-R276 HydrophobicContact CD2-CB 4.4Å; Y161-R276 PolarHBondContact N-O 2.85Å
162G87.2Confident95.4Very high0 Ų032.2 Ų32.20%015%0.149CC..  trans50.9-134.7-178.400000113.8G128 V277 L278G128-G162 WeakPolarHBondContact O-CA 3.39Å; G162-V277 CarbonylContact O-C 3.6Å; G162-V277 WeakPolarHBondContact O-CA 3.33Å; G162-L278 WeakPolarHBondContact O-CB 2.99Å; G162-L278 PolarHBondContact O-N 3.29Å
163I86.2Confident95.4Very high17 Ų1732.5 Ų32.59%0.08715%0.15CC..SBendtrans-91.3-56.3173-169.3174.4000111.6N131 Y161 Y279N131-I163 HydrophobicContact CB-CD1 3.97Å; N131-I163 HydrophobicContact CB-CG2 4.02Å; N131-I163 WeakPolarHBondContact ND2-CD1 3.49Å; Y161-I163 PolarHBondContact O-N 3.12Å; I163-Y279 HydrophobicContact CD1-CD2 4.39Å
164F92.2Very high95.3Very high6 Ų633.9 Ų33.93%0.02616%0.16CC..  trans177.3151.1170.855.3-94.8000109.3Q166 Q173 E175 E176 K604 A605 P607F164-Q166 HydrophobicContact CD2-CB 4.1Å; F164-Q166 HydrophobicContact CE2-CB 3.83Å; F164-Q166 HydrophobicContact CE2-CG 4.21Å; F164-Q173 HydrophobicContact CE2-CG 4.48Å; F164-Q173 VanDerWaalsContact CZ-NE2 3.29Å; F164-E175 HydrophobicContact CB-CB 3.84Å; F164-E175 HydrophobicContact CB-CG 4.03Å; F164-E175 HydrophobicContact CD1-CB 4.28Å; F164-E175 HydrophobicContact CD1-CG 3.51Å; F164-E175 HydrophobicContact CD2-CB 4.12Å; F164-E175 HydrophobicContact CD2-CG 3.71Å; F164-E175 HydrophobicContact CE1-CG 3.8Å; F164-E175 HydrophobicContact CE2-CG 3.95Å; F164-E175 HydrophobicContact CG-CB 3.86Å; F164-E175 HydrophobicContact CG-CG 3.49Å; F164-E175 VanDerWaalsContact CG-CG 3.49Å; F164-E175 HydrophobicContact CZ-CG 4Å; F164-E176 CarbonylContact C-O 3.58Å; F164-E176 VanDerWaalsContact CA-O 3.23Å; F164-E176 WeakPolarHBondContact CA-O 3.13Å; F164-E176 VanDerWaalsContact CB-O 3.25Å; F164-E176 WeakPolarHBondContact CB-O 3.19Å; F164-K604 HydrophobicContact CD2-CD 4.27Å; F164-K604 HydrophobicContact CE2-CB 4.1Å; F164-K604 HydrophobicContact CE2-CD 3.78Å; F164-K604 HydrophobicContact CE2-CG 4Å; F164-K604 HydrophobicContact CZ-CB 3.77Å; F164-K604 HydrophobicContact CZ-CD 4.09Å; F164-K604 HydrophobicContact CZ-CG 4.18Å; F164-K604 PolarHBondContact O-NZ 2.89Å; F164-A605 WeakPolarHBondContact CZ-O 3.46Å; F164-P607 HydrophobicContact CD1-CG 3.98Å; F164-P607 HydrophobicContact CE1-CG 3.78Å
165E93.6Very high95Very high71 Ų7136.7 Ų36.733%0.33217%0.173SC..EExtended strand (participates in β ladder)trans-75.9130.5158.2179.8138.8-106.600108.3E176 D178 N643 R645E165-E176 HydrophobicContact CB-CB 4.46Å; E165-E176 PolarHBondContact N-O 2.79Å; E165-E176 PolarHBondContact O-N 3.08Å; E165-D178 HydrophobicContact CB-CB 4.42Å; E165-N643 PolarHBondContact OE1-ND2 3.44Å; E165-R645 IonicContact OE1-NH1 2.85Å; E165-R645 PolarHBondContact OE1-NH1 2.96Å; E165-R645 VanDerWaalsContact OE1-NH1 3.1Å
166Q95.3Very high94.8Very high1 Ų139.9 Ų39.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-94.8126.2-176.5-177.9-171.138.300109F164 I168 Q173 G603 K604 E642 N643F164-Q166 HydrophobicContact CD2-CB 4.1Å; F164-Q166 HydrophobicContact CE2-CB 3.83Å; F164-Q166 HydrophobicContact CE2-CG 4.21Å; Q166-I168 HydrophobicContact CG-CD1 4.42Å; Q166-Q173 HydrophobicContact CG-CG 4.1Å; Q166-G603 PolarHBondContact NE2-O 3.47Å; Q166-G603 PolarHBondContact OE1-O 2.82Å; Q166-K604 HydrophobicContact CB-CD 4.22Å; Q166-K604 HydrophobicContact CB-CG 4.13Å; Q166-K604 HydrophobicContact CG-CG 4.46Å; Q166-E642 VanDerWaalsContact O-CG 3.25Å; Q166-E642 WeakPolarHBondContact O-CG 3.21Å; Q166-N643 HydrophobicContact CB-CB 4.33Å; Q166-N643 PolarHBondContact N-OD1 2.95Å; Q166-N643 VanDerWaalsContact N-OD1 3.16Å; Q166-N643 WeakPolarHBondContact O-CB 3.49Å
167S96.6Very high94.5Very high18 Ų1843.1 Ų43.113%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-118.5151.216562.70000111.6R169 V174 E642S167-R169 PolarHBondContact OG-NH2 2.89Å; S167-V174 PolarHBondContact N-O 2.89Å; S167-V174 PolarHBondContact O-N 3.09Å; S167-E642 WeakPolarHBondContact CA-OE1 3.07Å
168I97.4Very high94.2Very high34 Ų3444.1 Ų44.117%0.17421%0.214CC..EExtended strand (participates in β ladder)trans-106.7105.2178.7-57.3-58.3000109.9Q166 G171 W172 Q173 I616 F640 E642Q166-I168 HydrophobicContact CG-CD1 4.42Å; I168-G171 VanDerWaalsContact CG2-CA 3.47Å; I168-W172 CarbonylContact C-O 3.58Å; I168-W172 VanDerWaalsContact CA-O 3.3Å; I168-W172 WeakPolarHBondContact CA-O 3.27Å; I168-Q173 HydrophobicContact CD1-CB 4.41Å; I168-I616 HydrophobicContact CD1-CG2 3.96Å; I168-F640 HydrophobicContact CD1-CD1 3.89Å; I168-F640 HydrophobicContact CD1-CE1 3.79Å; I168-F640 HydrophobicContact CG1-CD1 3.94Å; I168-F640 HydrophobicContact CG1-CE1 4.28Å; I168-E642 WeakPolarHBondContact CB-OE2 3.29Å; I168-E642 HydrophobicContact CG1-CB 4Å; I168-E642 HydrophobicContact CG1-CG 3.99Å; I168-E642 VanDerWaalsContact CG1-OE2 3.31Å; I168-E642 WeakPolarHBondContact CG1-OE2 3.32Å; I168-E642 PolarHBondContact N-OE2 3.42Å
169R97.6Very high93.9Very high121 Ų12147 Ų4746%0.45723%0.229SC..EExtended strand (participates in β ladder)trans-111.3122.4179.2-59-173.3-175.2142.110.1109.9S167 G171 W172 V174 E176S167-R169 PolarHBondContact OG-NH2 2.89Å; R169-G171 PolarHBondContact O-N 3.45Å; R169-W172 PolarHBondContact N-O 3.35Å; R169-W172 WeakPolarHBondContact O-CB 3.4Å; R169-W172 PolarHBondContact O-N 3.48Å; R169-V174 HydrophobicContact CB-CG2 3.99Å; R169-V174 HydrophobicContact CG-CG2 4.08Å; R169-E176 IonicContact CZ-OE1 2.72Å; R169-E176 IonicContact NH1-OE1 2.67Å; R169-E176 PolarHBondContact NH1-OE1 2.85Å; R169-E176 IonicContact NH2-OE1 3.24Å; R169-E176 PolarHBondContact NH2-OE1 2.86Å
170D95.7Very high93.8Very high147 Ų14747.9 Ų47.979%0.78623%0.232SC*.THydrogen-bonded Turntrans52.123.1-170.9-60.2-55.9000114.8K617D170-K617 WeakPolarHBondContact O-CD 3.33Å; D170-K617 WeakPolarHBondContact O-CE 3.36Å; D170-K617 PolarHBondContact O-NZ 3.08Å
171G97.2Very high93.8Very high11 Ų1147.3 Ų47.311%0.11323%0.229CC..THydrogen-bonded Turntrans90.2-7.4-174.600000115.1I168 R169 K617 N620I168-G171 VanDerWaalsContact CG2-CA 3.47Å; R169-G171 PolarHBondContact O-N 3.45Å; G171-K617 VanDerWaalsContact O-CA 3.29Å; G171-K617 WeakPolarHBondContact O-CA 3.33Å; G171-N620 VanDerWaalsContact CA-CB 3.49Å; G171-N620 PolarHBondContact O-ND2 3.25Å
172W98.2Very high93.9Very high82 Ų8250.6 Ų50.631%0.31124%0.241SC..EExtended strand (participates in β ladder)trans-84.3142.3175-66.5103.3000112I168 R169 V174 L614 K617 L753I168-W172 CarbonylContact C-O 3.58Å; I168-W172 VanDerWaalsContact CA-O 3.3Å; I168-W172 WeakPolarHBondContact CA-O 3.27Å; R169-W172 PolarHBondContact N-O 3.35Å; R169-W172 WeakPolarHBondContact O-CB 3.4Å; R169-W172 PolarHBondContact O-N 3.48Å; W172-V174 PolarHBondContact O-N 2.85Å; W172-L614 HydrophobicContact CH2-CD1 3.65Å; W172-L614 HydrophobicContact CZ3-CD1 4.01Å; W172-K617 HydrophobicContact CD2-CB 3.84Å; W172-K617 HydrophobicContact CD2-CD 4.06Å; W172-K617 HydrophobicContact CD2-CG 3.78Å; W172-K617 HydrophobicContact CE3-CB 3.68Å; W172-K617 HydrophobicContact CE3-CG 4.07Å; W172-K617 HydrophobicContact CG-CB 4.42Å; W172-K617 HydrophobicContact CG-CD 4.06Å; W172-K617 HydrophobicContact CG-CG 4.31Å; W172-K617 HydrophobicContact CH2-CG 4.34Å; W172-K617 HydrophobicContact CZ2-CG 4.06Å; W172-K617 HydrophobicContact CZ3-CB 4.03Å; W172-K617 HydrophobicContact CZ3-CG 4.33Å; W172-L753 HydrophobicContact CH2-CD1 3.97Å; W172-L753 HydrophobicContact CZ2-CD1 3.65Å
173Q98.1Very high94Very high7 Ų756.4 Ų56.43%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-65.7125.1162.8165.8173.2-51.200110.5F164 Q166 I168 E175 A605 K613 I616F164-Q173 HydrophobicContact CE2-CG 4.48Å; F164-Q173 VanDerWaalsContact CZ-NE2 3.29Å; Q166-Q173 HydrophobicContact CG-CG 4.1Å; I168-Q173 HydrophobicContact CD1-CB 4.41Å; Q173-E175 PolarHBondContact NE2-OE1 3Å; Q173-A605 PolarHBondContact NE2-O 3.09Å; Q173-K613 HydrophobicContact CB-CG 4.45Å; Q173-I616 HydrophobicContact CB-CD1 3.97Å; Q173-I616 HydrophobicContact CB-CG2 4.44Å; Q173-I616 VanDerWaalsContact OE1-CD1 3.3Å
174V96.6Very high94.2Very high41 Ų4157.8 Ų57.825%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-114.9135.5166.9-178.20000109S167 R169 W172S167-V174 PolarHBondContact N-O 2.89Å; S167-V174 PolarHBondContact O-N 3.09Å; R169-V174 HydrophobicContact CB-CG2 3.99Å; R169-V174 HydrophobicContact CG-CG2 4.08Å; W172-V174 PolarHBondContact O-N 2.85Å
175E93.4Very high94.3Very high58 Ų5858.9 Ų58.927%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-87.8124.1172.7-66.777.7-151.100111F164 Q173 P607 K613F164-E175 HydrophobicContact CB-CB 3.84Å; F164-E175 HydrophobicContact CB-CG 4.03Å; F164-E175 HydrophobicContact CD1-CB 4.28Å; F164-E175 HydrophobicContact CD1-CG 3.51Å; F164-E175 HydrophobicContact CD2-CB 4.12Å; F164-E175 HydrophobicContact CD2-CG 3.71Å; F164-E175 HydrophobicContact CE1-CG 3.8Å; F164-E175 HydrophobicContact CE2-CG 3.95Å; F164-E175 HydrophobicContact CG-CB 3.86Å; F164-E175 HydrophobicContact CG-CG 3.49Å; F164-E175 VanDerWaalsContact CG-CG 3.49Å; F164-E175 HydrophobicContact CZ-CG 4Å; Q173-E175 PolarHBondContact NE2-OE1 3Å; E175-P607 HydrophobicContact CG-CB 4.12Å; E175-P607 HydrophobicContact CG-CG 4.07Å; E175-K613 WeakPolarHBondContact OE1-CE 3.38Å; E175-K613 IonicContact OE1-NZ 2.76Å; E175-K613 PolarHBondContact OE1-NZ 3.41Å; E175-K613 IonicContact OE2-NZ 3.84Å; E175-K613 PolarHBondContact OE2-NZ 3.08Å
176E93.7Very high94.4Very high68 Ų6856 Ų5632%0.31828%0.278SS..EExtended strand (participates in β ladder)trans-117.3157169.2-65.2-67.1177.800109.5F164 E165 R169 D178F164-E176 CarbonylContact C-O 3.58Å; F164-E176 VanDerWaalsContact CA-O 3.23Å; F164-E176 WeakPolarHBondContact CA-O 3.13Å; F164-E176 VanDerWaalsContact CB-O 3.25Å; F164-E176 WeakPolarHBondContact CB-O 3.19Å; E165-E176 HydrophobicContact CB-CB 4.46Å; E165-E176 PolarHBondContact N-O 2.79Å; E165-E176 PolarHBondContact O-N 3.08Å; R169-E176 IonicContact CZ-OE1 2.72Å; R169-E176 IonicContact NH1-OE1 2.67Å; R169-E176 PolarHBondContact NH1-OE1 2.85Å; R169-E176 IonicContact NH2-OE1 3.24Å; R169-E176 PolarHBondContact NH2-OE1 2.86Å; E176-D178 PolarHBondContact O-N 2.81Å
177P91.1Very high94.4Very high67 Ų6756 Ų5644%0.43528%0.278SS..  trans-65.9129.2177.226.4-33.8000111.8Y161 E179Y161-P177 HydrophobicContact CD1-CB 3.73Å; Y161-P177 HydrophobicContact CE1-CB 4.25Å; Y161-P177 HydrophobicContact CG-CB 4.29Å; P177-E179 PolarHBondContact O-N 2.87Å; P177-E179 VanDerWaalsContact O-N 3.09Å
178D90.7Very high94.4Very high22 Ų2256.3 Ų56.312%0.11828%0.278CS..  trans-78.389.9176-166.6-26.9000109.4Y161 E165 E176 W180Y161-D178 WeakPolarHBondContact CA-O 3.27Å; Y161-D178 WeakPolarHBondContact O-CB 3.44Å; E165-D178 HydrophobicContact CB-CB 4.42Å; E176-D178 PolarHBondContact O-N 2.81Å; D178-W180 PolarHBondContact O-N 3.21Å
179E91.3Very high94.4Very high83 Ų8360.2 Ų60.239%0.38829%0.293SS..  trans-75.837.2-174.7-56.8-160.8124.600114.2P177 L181 R182P177-E179 PolarHBondContact O-N 2.87Å; P177-E179 VanDerWaalsContact O-N 3.09Å; E179-L181 PolarHBondContact O-N 2.99Å; E179-R182 HydrophobicContact CB-CB 4.09Å; E179-R182 WeakPolarHBondContact O-CB 3.25Å; E179-R182 PolarHBondContact O-N 3.33Å; E179-R182 WeakPolarHBondContact OE2-CD 3.46Å; E179-R182 IonicContact OE2-CZ 3.72Å; E179-R182 IonicContact OE2-NE 3.73Å; E179-R182 IonicContact OE2-NH1 2.74Å; E179-R182 PolarHBondContact OE2-NH1 3.32Å
180W93.5Very high94.3Very high17 Ų1755.3 Ų55.36%0.06428%0.28CS..THydrogen-bonded Turntrans-56-14.8-177.276.7-78000115.4A127 G128 L129 Y159 D178 N185A127-W180 HydrophobicContact CB-CE3 4.04Å; A127-W180 HydrophobicContact CB-CH2 4.44Å; A127-W180 HydrophobicContact CB-CZ3 3.88Å; G128-W180 VanDerWaalsContact N-CD2 3.33Å; L129-W180 HydrophobicContact CD1-CH2 3.94Å; L129-W180 HydrophobicContact CD1-CZ2 4.3Å; L129-W180 HydrophobicContact CD2-CH2 4.1Å; L129-W180 HydrophobicContact CD2-CZ2 3.65Å; L129-W180 HydrophobicContact CG-CH2 3.93Å; L129-W180 HydrophobicContact CG-CZ2 3.77Å; Y159-W180 PolarHBondContact O-NE1 3.08Å; D178-W180 PolarHBondContact O-N 3.21Å; W180-N185 HydrophobicContact CZ3-CB 4.48Å
181L94Very high94.3Very high27 Ų2751.6 Ų51.614%0.14126%0.255CS..THydrogen-bonded Turntrans-102.82.8177.2-72.2165.9000114.7E179 F183 G184 N185E179-L181 PolarHBondContact O-N 2.99Å; L181-F183 VanDerWaalsContact C-N 3.26Å; L181-F183 PolarHBondContact O-N 2.94Å; L181-F183 VanDerWaalsContact O-N 3.16Å; L181-G184 WeakPolarHBondContact O-CA 3.2Å; L181-G184 PolarHBondContact O-N 2.86Å; L181-N185 HydrophobicContact CD2-CB 3.68Å
182R92.2Very high94.2Very high164 Ų16455 Ų5562%0.61928%0.275SS*.THydrogen-bonded Turntrans-51.3-39.3-174.5179175.6175.5139.4-9.7114.7E179E179-R182 HydrophobicContact CB-CB 4.09Å; E179-R182 WeakPolarHBondContact O-CB 3.25Å; E179-R182 PolarHBondContact O-N 3.33Å; E179-R182 WeakPolarHBondContact OE2-CD 3.46Å; E179-R182 IonicContact OE2-CZ 3.72Å; E179-R182 IonicContact OE2-NE 3.73Å; E179-R182 IonicContact OE2-NH1 2.74Å; E179-R182 PolarHBondContact OE2-NH1 3.32Å
183F90.1Very high94Very high122 Ų12256.2 Ų56.254%0.53529%0.285SS..THydrogen-bonded Turntrans-105.118.1179.6-55.8-66000112.5L47 Q51 L181L47-F183 HydrophobicContact CD1-CB 4.37Å; L47-F183 HydrophobicContact CD2-CB 4.2Å; L47-F183 HydrophobicContact CD2-CD1 3.82Å; L47-F183 HydrophobicContact CD2-CD2 4.41Å; L47-F183 HydrophobicContact CD2-CE1 4.28Å; L47-F183 HydrophobicContact CD2-CG 3.88Å; Q51-F183 PolarHBondContact NE2-O 2.8Å; L181-F183 VanDerWaalsContact C-N 3.26Å; L181-F183 PolarHBondContact O-N 2.94Å; L181-F183 VanDerWaalsContact O-N 3.16Å
184G90.7Very high93.8Very high46 Ų4659.7 Ų59.747%0.47430%0.298SS..  trans74.6177.7-168.300000112.9L181L181-G184 WeakPolarHBondContact O-CA 3.2Å; L181-G184 PolarHBondContact O-N 2.86Å
185N94.3Very high93.8Very high29 Ų2959.9 Ų59.916%0.15530%0.301CS..  trans-124.8117.9174.8171.414.3000108.5W180 L181 W187 E188W180-N185 HydrophobicContact CZ3-CB 4.48Å; L181-N185 HydrophobicContact CD2-CB 3.68Å; N185-W187 PolarHBondContact O-N 3.19Å; N185-W187 WeakPolarHBondContact OD1-CA 3.47Å; N185-W187 WeakPolarHBondContact OD1-CB 3.35Å; N185-W187 PolarHBondContact OD1-N 2.9Å; N185-E188 HydrophobicContact CB-CG 3.85Å; N185-E188 WeakPolarHBondContact ND2-CG 3.27Å; N185-E188 PolarHBondContact ND2-OE2 3.1Å
186P94.7Very high93.9Very high11 Ų1158.4 Ų58.47%0.07129%0.293CS..THydrogen-bonded Turntrans-71.5-20.117928.1-32.2000112.7Y50 A54 R55Y50-P186 HydrophobicContact CE1-CG 4.33Å; A54-P186 HydrophobicContact CB-CB 3.84Å; A54-P186 HydrophobicContact CB-CG 3.64Å; R55-P186 PolarHBondContact NH1-O 2.97Å
187W96.3Very high94Very high2 Ų257.9 Ų57.91%0.00830%0.295CS..THydrogen-bonded Turntrans-92.514-173.1-49.3108.7000114.9Y50 A54 V57 W58 T92 L93 T96 E124 N185 T227Y50-W187 PolarHBondContact OH-NE1 3.16Å; A54-W187 HydrophobicContact CB-CH2 4.15Å; A54-W187 HydrophobicContact CB-CZ2 3.64Å; V57-W187 HydrophobicContact CB-CH2 3.93Å; V57-W187 HydrophobicContact CB-CZ3 4.4Å; V57-W187 HydrophobicContact CG1-CH2 3.73Å; V57-W187 HydrophobicContact CG1-CZ3 4.02Å; W58-W187 HydrophobicContact CB-CZ3 4.37Å; W58-W187 HydrophobicContact CE3-CE3 4.15Å; W58-W187 VanDerWaalsContact CZ3-C 3.49Å; T92-W187 HydrophobicContact CG2-CB 4.06Å; T92-W187 HydrophobicContact CG2-CD2 3.63Å; T92-W187 HydrophobicContact CG2-CE3 3.91Å; T92-W187 HydrophobicContact CG2-CG 3.68Å; L93-W187 HydrophobicContact CB-CH2 4.44Å; L93-W187 HydrophobicContact CB-CZ2 3.73Å; L93-W187 HydrophobicContact CD1-CH2 3.92Å; L93-W187 HydrophobicContact CD1-CZ2 3.87Å; L93-W187 HydrophobicContact CG-CZ2 4.37Å; T96-W187 HydrophobicContact CG2-CZ3 4.44Å; E124-W187 VanDerWaalsContact OE1-CD1 3.29Å; E124-W187 PolarHBondContact OE1-NE1 2.88Å; N185-W187 PolarHBondContact O-N 3.19Å; N185-W187 WeakPolarHBondContact OD1-CA 3.47Å; N185-W187 WeakPolarHBondContact OD1-CB 3.35Å; N185-W187 PolarHBondContact OD1-N 2.9Å; W187-T227 WeakPolarHBondContact O-CA 3.15Å; W187-T227 WeakPolarHBondContact O-CB 3.35Å; W187-T227 WeakPolarHBondContact O-CG2 3.23Å; W187-T227 PolarHBondContact O-OG1 3.02Å
188E95.7Very high94.3Very high24 Ų2454.7 Ų54.711%0.11228%0.275CS..  trans-126.8148.517566.7-177.1-146.700112.1R158 N185 Y225 D226R158-E188 IonicContact CZ-OE1 3.01Å; R158-E188 VanDerWaalsContact CZ-OE1 3.3Å; R158-E188 IonicContact CZ-OE2 3.18Å; R158-E188 VanDerWaalsContact NE-CD 3.31Å; R158-E188 IonicContact NE-OE1 3.31Å; R158-E188 PolarHBondContact NE-OE1 3Å; R158-E188 IonicContact NE-OE2 2.71Å; R158-E188 PolarHBondContact NE-OE2 2.79Å; R158-E188 IonicContact NH2-OE1 2.79Å; R158-E188 PolarHBondContact NH2-OE1 3.31Å; R158-E188 IonicContact NH2-OE2 2.74Å; N185-E188 HydrophobicContact CB-CG 3.85Å; N185-E188 WeakPolarHBondContact ND2-CG 3.27Å; N185-E188 PolarHBondContact ND2-OE2 3.1Å; E188-Y225 HydrophobicContact CB-CD1 4.42Å; E188-Y225 HydrophobicContact CG-CD1 4.04Å; E188-Y225 VanDerWaalsContact OE1-CD1 3.26Å; E188-Y225 WeakPolarHBondContact OE1-CD1 3.34Å; E188-Y225 WeakPolarHBondContact OE1-CE1 3.28Å; E188-D226 WeakPolarHBondContact CA-O 3.34Å
189K96.4Very high94.5Very high115 Ų11556.4 Ų56.450%0.528%0.284SS..EExtended strand (participates in β ladder)trans-127.4110.4168.5-170.863.7178.2-178.10110.8W58 D226W58-K189 HydrophobicContact CH2-CB 4.33Å; W58-K189 HydrophobicContact CZ2-CB 4.41Å; K189-D226 PolarHBondContact N-O 2.83Å; K189-D226 PolarHBondContact O-N 2.94Å
190G96.6Very high94.7Very high18 Ų1852.5 Ų52.519%0.18627%0.266CS..EExtended strand (participates in β ladder)trans-59.1138.416800000111.7P224G190-P224 CarbonylContact C-O 3.58Å; G190-P224 WeakPolarHBondContact CA-O 3.35Å
191R96.6Very high94.8Very high69 Ų6953 Ų5326%0.2627%0.268SS..  trans-125.270.4-177.6-57.4-61-173.9173.3-3.6111.3E193 Y194 P224 D226R191-E193 WeakPolarHBondContact CA-OE2 3.39Å; R191-E193 WeakPolarHBondContact CD-OE1 3.28Å; R191-E193 PolarHBondContact O-N 2.87Å; R191-E193 VanDerWaalsContact O-N 3.1Å; R191-Y194 HydrophobicContact CB-CD2 3.97Å; R191-Y194 PolarHBondContact O-N 2.84Å; R191-P224 HydrophobicContact CB-CG 4.13Å; R191-P224 PolarHBondContact N-O 2.82Å; R191-P224 WeakPolarHBondContact O-CD 3.31Å; R191-D226 VanDerWaalsContact CG-OD2 3.23Å; R191-D226 WeakPolarHBondContact CG-OD2 3.4Å; R191-D226 IonicContact NE-OD2 3.96Å; R191-D226 PolarHBondContact NE-OD2 2.67Å
192P94.2Very high94.8Very high82 Ų8253.2 Ų53.253%0.53228%0.276SS..G310 helixtrans-60.3-20.3-177.727.3-35.8000113.6Y194 C195P192-Y194 PolarHBondContact O-N 3.3Å; P192-C195 PolarHBondContact O-N 3.26Å; P192-C195 PolarHBondContact O-SG 3.15Å
193E94.6Very high94.9Very high109 Ų10951 Ų5151%0.50927%0.268SS..G310 helixtrans-65.6-12.1172.673.3-83.1-161.600114.3R191R191-E193 WeakPolarHBondContact CA-OE2 3.39Å; R191-E193 WeakPolarHBondContact CD-OE1 3.28Å; R191-E193 PolarHBondContact O-N 2.87Å; R191-E193 VanDerWaalsContact O-N 3.1Å
194Y94.1Very high95.2Very high79 Ų7946.5 Ų46.531%0.3125%0.25SS..G310 helixtrans-121.631.6174-53.8-57.5000112.3R191 P192 Y196 P224 R308R191-Y194 HydrophobicContact CB-CD2 3.97Å; R191-Y194 PolarHBondContact O-N 2.84Å; P192-Y194 PolarHBondContact O-N 3.3Å; Y194-Y196 WeakPolarHBondContact O-CD2 3.45Å; Y194-Y196 VanDerWaalsContact O-CE2 3.24Å; Y194-Y196 WeakPolarHBondContact O-CE2 3.19Å; Y194-P224 WeakPolarHBondContact O-CD 3.45Å; Y194-P224 VanDerWaalsContact O-CG 3.28Å; Y194-P224 WeakPolarHBondContact O-CG 3.47Å; Y194-R308 VanDerWaalsContact CD1-CZ 3.47Å
195C95.9Very high95.3Very high46 Ų4647.4 Ų47.431%0.31124%0.242SC..  trans-66.9130.6168.5-78.60000111.3P192 A222P192-C195 PolarHBondContact O-N 3.26Å; P192-C195 PolarHBondContact O-SG 3.15Å; C195-A222 WeakPolarHBondContact CA-O 3.1Å
196Y96.2Very high94.9Very high27 Ų2751.1 Ų51.111%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-115.9140.7179-69.4-77.4000112.1Y194 F221 A222 W243 Q304 D305 R308Y194-Y196 WeakPolarHBondContact O-CD2 3.45Å; Y194-Y196 VanDerWaalsContact O-CE2 3.24Å; Y194-Y196 WeakPolarHBondContact O-CE2 3.19Å; Y196-F221 CarbonylContact O-C 3.06Å; Y196-F221 WeakPolarHBondContact O-CA 3.24Å; Y196-A222 PolarHBondContact N-O 2.88Å; Y196-A222 VanDerWaalsContact N-O 3.1Å; Y196-A222 PolarHBondContact O-N 2.97Å; Y196-W243 AromaticContact CD2-CH2 3.64Å; Y196-W243 HydrophobicContact CD2-CH2 3.64Å; Y196-W243 AromaticContact CD2-CZ3 3.88Å; Y196-W243 HydrophobicContact CD2-CZ3 3.88Å; Y196-W243 AromaticContact CE2-CH2 3.9Å; Y196-W243 HydrophobicContact CE2-CH2 3.9Å; Y196-W243 HydrophobicContact CE2-CZ3 4.44Å; Y196-Q304 HydrophobicContact CD1-CB 3.5Å; Y196-Q304 HydrophobicContact CD1-CG 4.22Å; Y196-Q304 HydrophobicContact CD2-CB 4.44Å; Y196-Q304 HydrophobicContact CE1-CB 3.65Å; Y196-Q304 HydrophobicContact CG-CB 3.91Å; Y196-Q304 PolarHBondContact OH-O 2.9Å; Y196-D305 HydrophobicContact CE2-CB 3.74Å; Y196-D305 WeakPolarHBondContact OH-CA 3.28Å; Y196-D305 PolarHBondContact OH-OD1 3.39Å; Y196-R308 WeakPolarHBondContact OH-CB 3.45Å; Y196-R308 WeakPolarHBondContact OH-CD 3.29Å; Y196-R308 PolarHBondContact OH-NE 2.9Å
197P95Very high94.3Very high56 Ų5652.5 Ų52.536%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-72.5135.7166.531.6-32.5000110.2F221 Q304P197-F221 HydrophobicContact CB-CD1 4.48Å; P197-F221 HydrophobicContact CB-CE1 4.08Å; P197-Q304 PolarHBondContact O-NE2 3.33Å
198V97.2Very high93.3Very high1 Ų154 Ų541%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-120.5121.3166.1-179.30000107.9F200 P219 V220 A222 Y296 F297 A300 A301V198-F200 HydrophobicContact CB-CE2 4.31Å; V198-F200 HydrophobicContact CG1-CE2 3.84Å; V198-F200 HydrophobicContact CG1-CZ 3.8Å; V198-P219 CarbonylContact O-C 3.06Å; V198-P219 WeakPolarHBondContact O-CA 3.36Å; V198-V220 PolarHBondContact N-O 3.33Å; V198-V220 PolarHBondContact O-N 2.78Å; V198-A222 HydrophobicContact CG2-CB 4.21Å; V198-Y296 HydrophobicContact CG1-CD1 3.67Å; V198-Y296 HydrophobicContact CG1-CE1 3.52Å; V198-F297 HydrophobicContact CB-CD2 4.3Å; V198-F297 HydrophobicContact CG2-CD2 4.16Å; V198-A300 HydrophobicContact CG1-CB 3.79Å; V198-A300 HydrophobicContact CG2-CB 4.06Å; V198-A301 HydrophobicContact CG2-CB 4.12Å
199N94.9Very high92.2Very high58 Ų5861 Ų6131%0.3133%0.329SS..EExtended strand (participates in β ladder)trans-89.5150.4-176.3-70-7.5000111.8W214 A217 H218 Y296N199-W214 HydrophobicContact CB-CE3 4.41Å; N199-W214 HydrophobicContact CB-CH2 3.85Å; N199-W214 HydrophobicContact CB-CZ2 4.29Å; N199-W214 HydrophobicContact CB-CZ3 3.89Å; N199-W214 WeakPolarHBondContact O-CH2 3.18Å; N199-A217 HydrophobicContact CB-CB 3.82Å; N199-H218 CarbonylContact C-O 3.51Å; N199-Y296 VanDerWaalsContact O-CE1 3.29Å; N199-Y296 WeakPolarHBondContact O-CE1 3.32Å
200F95.1Very high90.9Very high1 Ų158.6 Ų58.60%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-140.1156.1174.8-63.2-81.7000111.6V198 A217 H218 V220 I274 R293 Y296 F297 I389V198-F200 HydrophobicContact CB-CE2 4.31Å; V198-F200 HydrophobicContact CG1-CE2 3.84Å; V198-F200 HydrophobicContact CG1-CZ 3.8Å; F200-A217 CarbonylContact O-C 3.58Å; F200-A217 WeakPolarHBondContact O-CA 3.26Å; F200-A217 WeakPolarHBondContact O-CB 3.24Å; F200-H218 PolarHBondContact N-O 2.82Å; F200-H218 PolarHBondContact O-N 3.5Å; F200-V220 HydrophobicContact CD2-CB 4.47Å; F200-V220 HydrophobicContact CD2-CG2 3.98Å; F200-V220 HydrophobicContact CE2-CB 4.05Å; F200-V220 HydrophobicContact CE2-CG2 3.91Å; F200-I274 HydrophobicContact CE2-CD1 3.93Å; F200-I274 HydrophobicContact CZ-CD1 3.91Å; F200-R293 HydrophobicContact CD1-CB 4.44Å; F200-R293 HydrophobicContact CD1-CG 3.8Å; F200-R293 HydrophobicContact CE1-CB 3.85Å; F200-R293 HydrophobicContact CE1-CG 3.72Å; F200-R293 HydrophobicContact CZ-CB 4.33Å; F200-Y296 HydrophobicContact CD1-CD1 4.17Å; F200-Y296 AromaticContact CE1-CD1 3.67Å; F200-Y296 HydrophobicContact CE1-CD1 3.67Å; F200-Y296 HydrophobicContact CE1-CG 4.41Å; F200-Y296 HydrophobicContact CZ-CD1 4.17Å; F200-F297 HydrophobicContact CZ-CB 4.19Å; F200-I389 HydrophobicContact CB-CG2 4.5Å; F200-I389 HydrophobicContact CD1-CG2 3.81Å
201Y95.6Very high90.1Very high28 Ų2864.4 Ų64.411%0.1135%0.353CS..SBendtrans58.5-141.7-179.1-34.1-86.3000111.9W214 H218 H270 E289 R293 H388 I389Y201-W214 PolarHBondContact O-NE1 2.84Å; Y201-H218 HydrophobicContact CD2-CB 4.14Å; Y201-H218 AromaticContact CD2-ND1 3.77Å; Y201-H270 AromaticContact CE2-NE2 3.69Å; Y201-H270 AromaticContact CZ-NE2 3.34Å; Y201-H270 VanDerWaalsContact CZ-NE2 3.34Å; Y201-H270 PolarHBondContact OH-NE2 2.95Å; Y201-E289 PolarHBondContact OH-OE1 2.85Å; Y201-R293 PolarHBondContact OH-NH1 3.22Å; Y201-R293 VanDerWaalsContact OH-NH1 3.1Å; Y201-H388 WeakPolarHBondContact CA-O 3.25Å; Y201-H388 AromaticContact CD1-CD2 3.98Å; Y201-H388 AromaticContact CD1-CE1 3.81Å; Y201-H388 AromaticContact CD1-NE2 3.58Å; Y201-H388 AromaticContact CE1-NE2 3.62Å; Y201-I389 HydrophobicContact CD1-CG1 4.08Å; Y201-I389 HydrophobicContact CE1-CG1 3.97Å; Y201-I389 PolarHBondContact N-O 3.28Å
202G93.5Very high89.7Confident31 Ų3165.1 Ų65.132%0.3236%0.355SS..  trans76.3-156.2-176.600000112.3V215 D216G202-V215 VanDerWaalsContact CA-O 3.31Å; G202-V215 WeakPolarHBondContact CA-O 3.32Å; G202-D216 VanDerWaalsContact CA-O 3.27Å; G202-D216 WeakPolarHBondContact CA-O 3.47Å
203R95.2Very high89.6Confident116 Ų11667.9 Ų67.944%0.43836%0.355SS..EExtended strand (participates in β ladder)trans-150.2168-17763.5-173.9175.984.920.8111.1E205 V215 D216R203-E205 IonicContact CZ-OE1 3.23Å; R203-E205 IonicContact NH1-OE1 3.74Å; R203-E205 PolarHBondContact NH1-OE1 3.01Å; R203-E205 IonicContact NH2-OE1 2.71Å; R203-E205 PolarHBondContact NH2-OE1 2.79Å; R203-V215 HydrophobicContact CG-CG2 3.76Å; R203-V215 PolarHBondContact N-O 2.73Å; R203-V215 PolarHBondContact O-N 3.32Å; R203-D216 IonicContact CZ-OD2 2.91Å; R203-D216 IonicContact NE-OD2 3.83Å; R203-D216 PolarHBondContact NE-OD2 2.92Å; R203-D216 IonicContact NH2-OD2 3.73Å; R203-D216 PolarHBondContact NH2-OD2 3.47Å
204V95.5Very high89.6Confident28 Ų2864.1 Ų64.117%0.1734%0.336CS..EExtended strand (participates in β ladder)trans-112.8132.7177.5-165.30000111.5R212 R213 P391 R392 E395V204-R212 HydrophobicContact CG1-CB 3.81Å; V204-R213 WeakPolarHBondContact CA-O 3.15Å; V204-R213 WeakPolarHBondContact CG1-O 3.46Å; V204-P391 HydrophobicContact CG2-CB 4.1Å; V204-P391 HydrophobicContact CG2-CG 4.19Å; V204-R392 HydrophobicContact CG2-CB 3.73Å; V204-E395 WeakPolarHBondContact CB-OE1 3.42Å; V204-E395 WeakPolarHBondContact CG1-OE1 3.39Å; V204-E395 WeakPolarHBondContact CG2-OE1 3.46Å
205E93.9Very high89.5Confident66 Ų6661.5 Ų61.531%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-106.4154.2173.9-65.2-177.6147.200111.1R203 R212 R213 V215R203-E205 IonicContact CZ-OE1 3.23Å; R203-E205 IonicContact NH1-OE1 3.74Å; R203-E205 PolarHBondContact NH1-OE1 3.01Å; R203-E205 IonicContact NH2-OE1 2.71Å; R203-E205 PolarHBondContact NH2-OE1 2.79Å; E205-R212 CarbonylContact O-C 3.51Å; E205-R212 WeakPolarHBondContact O-CA 3.29Å; E205-R213 PolarHBondContact N-O 3.37Å; E205-R213 PolarHBondContact O-N 2.98Å; E205-V215 HydrophobicContact CG-CG2 3.8Å
206D86.7Confident89.2Confident106 Ų10664 Ų6457%0.56734%0.339SS*.EExtended strand (participates in β ladder)trans-75.1122.8158.8-168.8-25000108.3G208D206-G208 WeakPolarHBondContact OD1-CA 3.43Å; D206-G208 PolarHBondContact OD1-N 2.97Å
207A80.4Confident88.9Confident41 Ų4163.8 Ų63.834%0.33934%0.342SS..  trans-94.26.5179.800000113R211 R213A207-R211 HydrophobicContact CB-CB 4.32Å; A207-R211 WeakPolarHBondContact CB-O 3.4Å; A207-R211 PolarHBondContact N-O 3.1Å; A207-R213 HydrophobicContact CB-CB 4Å
208G77Confident88.6Confident33 Ų3366.6 Ų66.634%0.3435%0.35SS..SBendtrans90157.2-171.700000112.5D206 G210 R211D206-G208 WeakPolarHBondContact OD1-CA 3.43Å; D206-G208 PolarHBondContact OD1-N 2.97Å; G208-G210 PolarHBondContact O-N 3.24Å; G208-G210 VanDerWaalsContact O-N 3.15Å; G208-R211 WeakPolarHBondContact O-CB 3.34Å; G208-R211 PolarHBondContact O-N 3.47Å
209N71.6Confident88.2Confident172 Ų17269.1 Ų69.192%0.9237%0.367SS*.THydrogen-bonded Turntrans54.230.4179-55.9-18.3000114R211N209-R211 PolarHBondContact O-N 3.22Å
210G70Confident88.1Confident63 Ų6366.7 Ų66.765%0.64935%0.354SS*.THydrogen-bonded Turntrans72.94.7-177.900000114.9G208G208-G210 PolarHBondContact O-N 3.24Å; G208-G210 VanDerWaalsContact O-N 3.15Å
211R78.4Confident88.1Confident141 Ų14170 Ų7053%0.53237%0.369SS..  trans-78.6137.7174.9-68.7-174.7169.9-169.4-6.3110A207 G208 N209 G352A207-R211 HydrophobicContact CB-CB 4.32Å; A207-R211 WeakPolarHBondContact CB-O 3.4Å; A207-R211 PolarHBondContact N-O 3.1Å; G208-R211 WeakPolarHBondContact O-CB 3.34Å; G208-R211 PolarHBondContact O-N 3.47Å; N209-R211 PolarHBondContact O-N 3.22Å; R211-G352 PolarHBondContact NH2-O 2.98Å
212R89.7Confident88.2Confident84 Ų8468.7 Ų68.732%0.31736%0.364SS..EExtended strand (participates in β ladder)trans-98145.1176.1-57.1-66.6-77.5169.30.3109.3V204 E205 E395V204-R212 HydrophobicContact CG1-CB 3.81Å; E205-R212 CarbonylContact O-C 3.51Å; E205-R212 WeakPolarHBondContact O-CA 3.29Å; R212-E395 IonicContact CZ-OE1 2.96Å; R212-E395 VanDerWaalsContact CZ-OE1 3.24Å; R212-E395 IonicContact CZ-OE2 2.76Å; R212-E395 IonicContact NE-OE1 3.24Å; R212-E395 PolarHBondContact NE-OE1 3.09Å; R212-E395 IonicContact NE-OE2 3.52Å; R212-E395 PolarHBondContact NE-OE2 3.3Å; R212-E395 VanDerWaalsContact NH2-CD 3.34Å; R212-E395 IonicContact NH2-OE1 2.67Å; R212-E395 PolarHBondContact NH2-OE1 3.17Å; R212-E395 IonicContact NH2-OE2 2.7Å; R212-E395 PolarHBondContact NH2-OE2 2.91Å
213R91Very high88.4Confident139 Ų13968.9 Ų68.953%0.52536%0.356SS..EExtended strand (participates in β ladder)trans-129.8121.1173.8-176-172.2-67.1146.60.9110.6V204 E205 A207 V215V204-R213 WeakPolarHBondContact CA-O 3.15Å; V204-R213 WeakPolarHBondContact CG1-O 3.46Å; E205-R213 PolarHBondContact N-O 3.37Å; E205-R213 PolarHBondContact O-N 2.98Å; A207-R213 HydrophobicContact CB-CB 4Å; R213-V215 HydrophobicContact CB-CG1 4.45Å; R213-V215 HydrophobicContact CG-CG1 3.71Å
214W93.8Very high88.6Confident31 Ų3163.3 Ų63.312%0.11734%0.335CS..EExtended strand (participates in β ladder)trans-78.2121.5171.1-169.120.1000109.7N199 Y201 A217 Y296 L390 R392 H393N199-W214 HydrophobicContact CB-CE3 4.41Å; N199-W214 HydrophobicContact CB-CH2 3.85Å; N199-W214 HydrophobicContact CB-CZ2 4.29Å; N199-W214 HydrophobicContact CB-CZ3 3.89Å; N199-W214 WeakPolarHBondContact O-CH2 3.18Å; Y201-W214 PolarHBondContact O-NE1 2.84Å; W214-A217 HydrophobicContact CD2-CB 4.5Å; W214-A217 HydrophobicContact CZ2-CB 4.28Å; W214-Y296 HydrophobicContact CH2-CE1 4.06Å; W214-Y296 HydrophobicContact CZ3-CE1 4.46Å; W214-Y296 WeakPolarHBondContact CZ3-OH 3.46Å; W214-L390 HydrophobicContact CH2-CD2 4.08Å; W214-L390 HydrophobicContact CZ2-CD2 4.4Å; W214-R392 HydrophobicContact CB-CB 4.27Å; W214-R392 HydrophobicContact CG-CB 4.28Å; W214-H393 AromaticContact CH2-CE1 3.89Å; W214-H393 AromaticContact CZ3-CE1 3.64Å
215V92.3Very high88.7Confident23 Ų2363.9 Ų63.914%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-131169.2-175.3-59.90000111.1G202 R203 E205 R213 A217G202-V215 VanDerWaalsContact CA-O 3.31Å; G202-V215 WeakPolarHBondContact CA-O 3.32Å; R203-V215 HydrophobicContact CG-CG2 3.76Å; R203-V215 PolarHBondContact N-O 2.73Å; R203-V215 PolarHBondContact O-N 3.32Å; E205-V215 HydrophobicContact CG-CG2 3.8Å; R213-V215 HydrophobicContact CB-CG1 4.45Å; R213-V215 HydrophobicContact CG-CG1 3.71Å; V215-A217 PolarHBondContact O-N 3.17Å
216D90.1Very high88.9Confident99 Ų9961.1 Ų61.153%0.52932%0.322SS..SBendtrans56.123.2175.8-50.9-28.4000114.6G202 R203G202-D216 VanDerWaalsContact CA-O 3.27Å; G202-D216 WeakPolarHBondContact CA-O 3.47Å; R203-D216 IonicContact CZ-OD2 2.91Å; R203-D216 IonicContact NE-OD2 3.83Å; R203-D216 PolarHBondContact NE-OD2 2.92Å; R203-D216 IonicContact NH2-OD2 3.73Å; R203-D216 PolarHBondContact NH2-OD2 3.47Å
217A90.4Very high89.4Confident22 Ų2256.7 Ų56.718%0.18230%0.299CS..PPolyproline II helixtrans-88.2149.8-178.700000112.1N199 F200 W214 V215N199-A217 HydrophobicContact CB-CB 3.82Å; F200-A217 CarbonylContact O-C 3.58Å; F200-A217 WeakPolarHBondContact O-CA 3.26Å; F200-A217 WeakPolarHBondContact O-CB 3.24Å; W214-A217 HydrophobicContact CD2-CB 4.5Å; W214-A217 HydrophobicContact CZ2-CB 4.28Å; V215-A217 PolarHBondContact O-N 3.17Å
218H88.9Confident90.3Very high115 Ų11554.9 Ų54.953%0.53228%0.284SS..EExtended strand (participates in β ladder)trans-96.2117-173.2-60.174000110.2N199 F200 Y201N199-H218 CarbonylContact C-O 3.51Å; F200-H218 PolarHBondContact N-O 2.82Å; F200-H218 PolarHBondContact O-N 3.5Å; Y201-H218 HydrophobicContact CD2-CB 4.14Å; Y201-H218 AromaticContact CD2-ND1 3.77Å
219P88.8Confident91.3Very high54 Ų5453.6 Ų53.635%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-80.1140.5-179.129.6-32.8000112.6V198 P248V198-P219 CarbonylContact O-C 3.06Å; V198-P219 WeakPolarHBondContact O-CA 3.36Å; P219-P248 HydrophobicContact CB-CG 4.43Å; P219-P248 HydrophobicContact CG-CG 3.98Å; P219-P248 WeakPolarHBondContact O-CD 3.41Å; P219-P248 WeakPolarHBondContact O-CG 3.48Å
220V92.8Very high92.5Very high7 Ų745.7 Ų45.74%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-118.7137159.8178.60000107.2V198 F200 A245 A271 I274 F297V198-V220 PolarHBondContact N-O 3.33Å; V198-V220 PolarHBondContact O-N 2.78Å; F200-V220 HydrophobicContact CD2-CB 4.47Å; F200-V220 HydrophobicContact CD2-CG2 3.98Å; F200-V220 HydrophobicContact CE2-CB 4.05Å; F200-V220 HydrophobicContact CE2-CG2 3.91Å; V220-A245 HydrophobicContact CG1-CB 4.03Å; V220-A271 HydrophobicContact CG1-CB 4.12Å; V220-A271 HydrophobicContact CG2-CB 3.9Å; V220-I274 HydrophobicContact CG1-CD1 4.41Å; V220-I274 HydrophobicContact CG2-CD1 4.32Å; V220-F297 HydrophobicContact CG1-CE2 4.2Å
221F95Very high93.8Very high72 Ų7242.8 Ų42.832%0.31620%0.198SC..EExtended strand (participates in β ladder)trans-86.6129.2177.7-74.8-85.4000111.2Y196 P197 K246 P248Y196-F221 CarbonylContact O-C 3.06Å; Y196-F221 WeakPolarHBondContact O-CA 3.24Å; P197-F221 HydrophobicContact CB-CD1 4.48Å; P197-F221 HydrophobicContact CB-CE1 4.08Å; F221-K246 HydrophobicContact CB-CB 4.3Å; F221-K246 PolarHBondContact N-O 3.4Å; F221-K246 PolarHBondContact O-N 3.33Å; F221-P248 HydrophobicContact CD2-CB 4.24Å; F221-P248 HydrophobicContact CD2-CG 4.05Å; F221-P248 HydrophobicContact CE2-CB 3.86Å; F221-P248 HydrophobicContact CE2-CG 3.95Å
222A97.9Very high94.6Very high0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-91105.6170.800000109.5C195 Y196 V198 W243 F297 A301C195-A222 WeakPolarHBondContact CA-O 3.1Å; Y196-A222 PolarHBondContact N-O 2.88Å; Y196-A222 VanDerWaalsContact N-O 3.1Å; Y196-A222 PolarHBondContact O-N 2.97Å; V198-A222 HydrophobicContact CG2-CB 4.21Å; A222-W243 HydrophobicContact CB-CD2 4.21Å; A222-W243 HydrophobicContact CB-CE3 3.69Å; A222-W243 HydrophobicContact CB-CZ3 4.22Å; A222-F297 HydrophobicContact CB-CD2 4.32Å; A222-F297 HydrophobicContact CB-CE2 3.5Å; A222-F297 VanDerWaalsContact CB-CE2 3.5Å; A222-F297 HydrophobicContact CB-CZ 3.62Å; A222-A301 HydrophobicContact CB-CB 3.35Å
223M97.3Very high94.8Very high34 Ų3436.7 Ų36.717%0.16718%0.175CC..EExtended strand (participates in β ladder)trans-91.2117.8175.7179.1176.9170.300109.7Y225 S244 K246M223-Y225 HydrophobicContact CB-CE2 4.5Å; M223-Y225 HydrophobicContact CE-CE2 3.74Å; M223-Y225 HydrophobicContact CG-CD2 4.36Å; M223-Y225 HydrophobicContact CG-CE2 3.86Å; M223-Y225 HydrophobicContact SD-CE2 3.84Å; M223-S244 PolarHBondContact N-O 2.91Å; M223-S244 PolarHBondContact O-N 3.29Å; M223-K246 HydrophobicContact CB-CG 3.82Å; M223-K246 HydrophobicContact SD-CG 4.29Å
224P98.4Very high95Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-79138.2179.418.9-14.2000112G190 R191 Y194 R241 W243G190-P224 CarbonylContact C-O 3.58Å; G190-P224 WeakPolarHBondContact CA-O 3.35Å; R191-P224 HydrophobicContact CB-CG 4.13Å; R191-P224 PolarHBondContact N-O 2.82Å; R191-P224 WeakPolarHBondContact O-CD 3.31Å; Y194-P224 WeakPolarHBondContact O-CD 3.45Å; Y194-P224 VanDerWaalsContact O-CG 3.28Å; Y194-P224 WeakPolarHBondContact O-CG 3.47Å; P224-R241 HydrophobicContact CB-CG 3.96Å; P224-W243 HydrophobicContact CB-CE3 3.76Å; P224-W243 HydrophobicContact CB-CH2 4.05Å; P224-W243 HydrophobicContact CB-CZ3 3.45Å; P224-W243 VanDerWaalsContact CB-CZ3 3.45Å; P224-W243 HydrophobicContact CG-CE3 4.15Å; P224-W243 HydrophobicContact CG-CH2 4.13Å; P224-W243 HydrophobicContact CG-CZ3 3.46Å; P224-W243 VanDerWaalsContact CG-CZ3 3.46Å
225Y98.4Very high95.1Very high40 Ų4030 Ų3016%0.15715%0.151CC..EExtended strand (participates in β ladder)trans-116.5122.9165.7-74.3-111.8000107.8R158 E188 M223 L242R158-Y225 VanDerWaalsContact CD-CG 3.4Å; E188-Y225 HydrophobicContact CB-CD1 4.42Å; E188-Y225 HydrophobicContact CG-CD1 4.04Å; E188-Y225 VanDerWaalsContact OE1-CD1 3.26Å; E188-Y225 WeakPolarHBondContact OE1-CD1 3.34Å; E188-Y225 WeakPolarHBondContact OE1-CE1 3.28Å; M223-Y225 HydrophobicContact CB-CE2 4.5Å; M223-Y225 HydrophobicContact CE-CE2 3.74Å; M223-Y225 HydrophobicContact CG-CD2 4.36Å; M223-Y225 HydrophobicContact CG-CE2 3.86Å; M223-Y225 HydrophobicContact SD-CE2 3.84Å; Y225-L242 PolarHBondContact N-O 3.05Å; Y225-L242 PolarHBondContact O-N 3.44Å
226D98.4Very high95.2Very high7 Ų729.1 Ų29.14%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-99.7125.1179.5-69.7-35.6000110.8W65 E188 K189 R191 T239 R241W65-D226 HydrophobicContact CH2-CB 3.52Å; W65-D226 HydrophobicContact CZ2-CB 3.69Å; E188-D226 WeakPolarHBondContact CA-O 3.34Å; K189-D226 PolarHBondContact N-O 2.83Å; K189-D226 PolarHBondContact O-N 2.94Å; R191-D226 VanDerWaalsContact CG-OD2 3.23Å; R191-D226 WeakPolarHBondContact CG-OD2 3.4Å; R191-D226 IonicContact NE-OD2 3.96Å; R191-D226 PolarHBondContact NE-OD2 2.67Å; D226-T239 HydrophobicContact CB-CG2 3.83Å; D226-R241 VanDerWaalsContact CG-NH2 3.27Å; D226-R241 IonicContact OD1-CZ 2.83Å; D226-R241 VanDerWaalsContact OD1-CZ 3.28Å; D226-R241 IonicContact OD1-NE 2.64Å; D226-R241 PolarHBondContact OD1-NE 3.26Å; D226-R241 IonicContact OD1-NH2 3.67Å; D226-R241 PolarHBondContact OD1-NH2 3.36Å; D226-R241 IonicContact OD2-CZ 3.63Å; D226-R241 IonicContact OD2-NE 2.72Å; D226-R241 IonicContact OD2-NH2 3.28Å; D226-R241 PolarHBondContact OD2-NH2 3.3Å
227T97.5Very high95.6Very high13 Ų1324.4 Ų24.48%0.0812%0.121CC..EExtended strand (participates in β ladder)trans-108124.2167.5-73.70000109.7W187 T239 L240W187-T227 WeakPolarHBondContact O-CA 3.15Å; W187-T227 WeakPolarHBondContact O-CB 3.35Å; W187-T227 WeakPolarHBondContact O-CG2 3.23Å; W187-T227 PolarHBondContact O-OG1 3.02Å; T227-T239 WeakPolarHBondContact O-CA 3.36Å; T227-L240 PolarHBondContact N-O 2.86Å; T227-L240 PolarHBondContact O-N 3.12Å
228P97.7Very high95.9Very high4 Ų423.5 Ų23.53%0.02611%0.113CC..EExtended strand (participates in β ladder)trans-67.9139.4175.126.1-32.3000111.8W58 L61 W65 C237W58-P228 HydrophobicContact CE3-CG 4.1Å; W58-P228 HydrophobicContact CH2-CG 4Å; W58-P228 VanDerWaalsContact CZ3-CD 3.42Å; W58-P228 HydrophobicContact CZ3-CG 3.5Å; W58-P228 VanDerWaalsContact CZ3-CG 3.5Å; L61-P228 HydrophobicContact CD1-CB 4.4Å; L61-P228 HydrophobicContact CD2-CB 3.75Å; L61-P228 HydrophobicContact CD2-CG 3.43Å; L61-P228 VanDerWaalsContact CD2-CG 3.43Å; L61-P228 HydrophobicContact CG-CB 3.89Å; L61-P228 HydrophobicContact CG-CG 3.95Å; W65-P228 HydrophobicContact CD2-CB 3.9Å; W65-P228 HydrophobicContact CE3-CB 3.81Å; W65-P228 HydrophobicContact CE3-CG 4.14Å; W65-P228 HydrophobicContact CG-CB 4.24Å; W65-P228 HydrophobicContact CZ3-CB 4.23Å; W65-P228 HydrophobicContact CZ3-CG 4.22Å; P228-C237 WeakPolarHBondContact CB-SG 3.34Å
229V98Very high96.4Very high6 Ų618.1 Ų18.14%0.0369%0.088CC..EExtended strand (participates in β ladder)trans-118.7105.8175.3-176.10000109.4M89 L142 A146 C237 N238 L240M89-V229 HydrophobicContact CE-CG2 4.25Å; L142-V229 HydrophobicContact CB-CG1 4.1Å; L142-V229 HydrophobicContact CB-CG2 4.48Å; L142-V229 HydrophobicContact CD1-CG2 4.45Å; A146-V229 HydrophobicContact CB-CG1 4.36Å; V229-C237 CarbonylContact O-C 3.54Å; V229-C237 VanDerWaalsContact O-CA 3.27Å; V229-C237 WeakPolarHBondContact O-CA 3.48Å; V229-C237 PolarHBondContact O-SG 2.98Å; V229-N238 PolarHBondContact N-O 3.03Å; V229-N238 PolarHBondContact O-N 3.31Å; V229-L240 HydrophobicContact CG2-CB 4.09Å
230P97.3Very high96.9Very high5 Ų515.6 Ų15.63%0.0327%0.072CC..EExtended strand (participates in β ladder)trans-72146.5179.627.6-32.1000112.5L61 N99 V100L61-P230 HydrophobicContact CD1-CB 3.69Å; L61-P230 HydrophobicContact CD1-CG 4.1Å; N99-P230 HydrophobicContact CB-CB 3.86Å; N99-P230 HydrophobicContact CB-CG 3.85Å; V100-P230 HydrophobicContact CG2-CB 4.29Å
231G96.8Very high97.1Very high3 Ų315.4 Ų15.43%0.0317%0.07CC..PPolyproline II helixtrans-94148.5164.400000111.5A146 R233 N234 T236A146-G231 VanDerWaalsContact C-CA 3.49Å; G231-R233 PolarHBondContact O-N 3.06Å; G231-N234 WeakPolarHBondContact CA-OD1 3.43Å; G231-N234 PolarHBondContact O-OD1 3.29Å; G231-T236 PolarHBondContact N-O 2.94Å
232Y96.6Very high97.3Very high12 Ų1212 Ų125%0.0476%0.056CC..THydrogen-bonded Turntrans-67.3117.9-173.1-171-102.5000113.5L98 N99 T147 N234 R483 L487 I508 V509L98-Y232 HydrophobicContact CD1-CE2 4.47Å; L98-Y232 HydrophobicContact CG-CE2 4.32Å; N99-Y232 WeakPolarHBondContact OD1-CA 3.31Å; N99-Y232 VanDerWaalsContact OD1-CB 3.24Å; N99-Y232 WeakPolarHBondContact OD1-CB 3.16Å; N99-Y232 WeakPolarHBondContact OD1-CD2 3.39Å; N99-Y232 PolarHBondContact OD1-N 3.06Å; T147-Y232 PolarHBondContact OG1-N 2.75Å; Y232-N234 PolarHBondContact O-N 3.28Å; Y232-R483 HydrophobicContact CD2-CG 3.88Å; Y232-R483 HydrophobicContact CE2-CG 4.36Å; Y232-R483 VanDerWaalsContact CG-CD 3.47Å; Y232-R483 HydrophobicContact CG-CG 4.17Å; Y232-L487 HydrophobicContact CE2-CD2 3.9Å; Y232-I508 HydrophobicContact CD1-CG2 3.93Å; Y232-I508 HydrophobicContact CD2-CG2 4.42Å; Y232-I508 HydrophobicContact CE1-CB 4.13Å; Y232-I508 HydrophobicContact CE1-CD1 4.46Å; Y232-I508 HydrophobicContact CE1-CG2 3.48Å; Y232-I508 VanDerWaalsContact CE1-CG2 3.48Å; Y232-I508 HydrophobicContact CE2-CG2 4.05Å; Y232-I508 HydrophobicContact CG-CG2 4.38Å; Y232-V509 HydrophobicContact CD1-CG1 3.69Å; Y232-V509 HydrophobicContact CG-CG1 4.4Å
233R94.4Very high97.3Very high85 Ų8512 Ų1232%0.3216%0.056SC..THydrogen-bonded Turntrans52.67.9174.3-69.7-174.9171165.70.2115.6N99 N101 G231 D505 K829N99-R233 PolarHBondContact O-N 3.28Å; N101-R233 HydrophobicContact CB-CG 4.08Å; N101-R233 PolarHBondContact OD1-NE 3.22Å; N101-R233 PolarHBondContact OD1-NH2 2.82Å; G231-R233 PolarHBondContact O-N 3.06Å; R233-D505 IonicContact CZ-OD2 2.8Å; R233-D505 IonicContact NH1-OD2 3.1Å; R233-D505 PolarHBondContact NH1-OD2 2.68Å; R233-K829 WeakPolarHBondContact O-CD 3.36Å; R233-K829 WeakPolarHBondContact O-CE 3.48Å; R233-K829 PolarHBondContact O-NZ 3.26Å
234N94.7Very high97.3Very high16 Ų1610.4 Ų10.49%0.0865%0.048CC..THydrogen-bonded Turntrans-104.3-5.2-173.376.1-3.2000113.8A146 T147 G231 Y232 T236 K829 L830A146-N234 PolarHBondContact O-ND2 2.91Å; T147-N234 PolarHBondContact O-ND2 3.12Å; G231-N234 WeakPolarHBondContact CA-OD1 3.43Å; G231-N234 PolarHBondContact O-OD1 3.29Å; Y232-N234 PolarHBondContact O-N 3.28Å; N234-T236 PolarHBondContact ND2-OG1 2.66Å; N234-T236 PolarHBondContact O-N 2.78Å; N234-T236 VanDerWaalsContact O-N 3.15Å; N234-T236 VanDerWaalsContact OD1-CB 3.29Å; N234-T236 WeakPolarHBondContact OD1-CB 3.38Å; N234-T236 PolarHBondContact OD1-N 3.15Å; N234-K829 WeakPolarHBondContact O-CA 3.3Å; N234-L830 PolarHBondContact O-N 3.04Å
235N94.5Very high97.2Very high12 Ų1210.4 Ų10.46%0.0645%0.048CC..  trans60.69.4-176.5-56.9-42.9000115.9R64 L830R64-N235 HydrophobicContact CG-CB 4.35Å; R64-N235 PolarHBondContact NE-OD1 3.35Å; R64-N235 PolarHBondContact NH2-OD1 3.38Å; N235-L830 HydrophobicContact CB-CB 4.12Å; N235-L830 WeakPolarHBondContact CB-O 3.13Å; N235-L830 PolarHBondContact ND2-O 3.29Å
236T96Very high96.9Very high6 Ų611.1 Ų11.14%0.0375%0.051CC..  trans-74.2142.4166.7-600000109.4Y72 A146 G231 N234Y72-T236 WeakPolarHBondContact OH-CG2 3.35Å; A146-T236 WeakPolarHBondContact O-CB 3.5Å; A146-T236 WeakPolarHBondContact O-CG2 3.38Å; G231-T236 PolarHBondContact N-O 2.94Å; N234-T236 PolarHBondContact ND2-OG1 2.66Å; N234-T236 PolarHBondContact O-N 2.78Å; N234-T236 VanDerWaalsContact O-N 3.15Å; N234-T236 VanDerWaalsContact OD1-CB 3.29Å; N234-T236 WeakPolarHBondContact OD1-CB 3.38Å; N234-T236 PolarHBondContact OD1-N 3.15Å
237C97.4Very high96.3Very high0 Ų011.5 Ų11.50%06%0.056CC..EExtended strand (participates in β ladder)trans-144.3115.1170.7177.40000110.8L61 R64 W65 S68 P228 V229L61-C237 HydrophobicContact CD1-CB 4.31Å; R64-C237 HydrophobicContact CB-CB 4.36Å; W65-C237 HydrophobicContact CB-CB 4.09Å; S68-C237 VanDerWaalsContact CB-O 3.24Å; S68-C237 WeakPolarHBondContact CB-O 3.46Å; S68-C237 PolarHBondContact OG-N 2.8Å; P228-C237 WeakPolarHBondContact CB-SG 3.34Å; V229-C237 CarbonylContact O-C 3.54Å; V229-C237 VanDerWaalsContact O-CA 3.27Å; V229-C237 WeakPolarHBondContact O-CA 3.48Å; V229-C237 PolarHBondContact O-SG 2.98Å
238N98Very high95.3Very high3 Ų314.3 Ų14.32%0.0167%0.074CC..EExtended strand (participates in β ladder)trans-87.5-169.9176.9-80.8-23.7000110.7Y72 A146 L150 A152 V229Y72-N238 WeakPolarHBondContact CE2-OD1 3.35Å; Y72-N238 PolarHBondContact OH-OD1 3.32Å; Y72-N238 VanDerWaalsContact OH-OD1 3.09Å; A146-N238 WeakPolarHBondContact CA-ND2 2.86Å; A146-N238 HydrophobicContact CB-CB 4.2Å; A146-N238 PolarHBondContact N-ND2 3.25Å; L150-N238 PolarHBondContact O-ND2 2.91Å; L150-N238 PolarHBondContact O-OD1 3.46Å; A152-N238 PolarHBondContact N-OD1 3.11Å; A152-N238 WeakPolarHBondContact O-CB 3.32Å; A152-N238 VanDerWaalsContact O-CG 3.28Å; A152-N238 PolarHBondContact O-OD1 2.97Å; V229-N238 PolarHBondContact N-O 3.03Å; V229-N238 PolarHBondContact O-N 3.31Å
239T98.5Very high94.1Very high1 Ų120.5 Ų20.51%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-139.2131.8-176.5-54.40000111.8W65 Y153 G154 D226 T227W65-T239 HydrophobicContact CZ2-CG2 3.92Å; W65-T239 PolarHBondContact NE1-OG1 2.9Å; Y153-T239 CarbonylContact C-O 3.26Å; Y153-T239 VanDerWaalsContact CA-O 3.29Å; Y153-T239 WeakPolarHBondContact CA-O 2.83Å; Y153-T239 HydrophobicContact CD1-CG2 4.1Å; Y153-T239 HydrophobicContact CE1-CG2 3.56Å; G154-T239 PolarHBondContact N-O 2.87Å; D226-T239 HydrophobicContact CB-CG2 3.83Å; T227-T239 WeakPolarHBondContact O-CA 3.36Å
240L98.6Very high92.6Very high1 Ų123.9 Ų23.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-92.1114.6159174.352.9000107.5F87 M89 L142 T227 V229 L242F87-L240 HydrophobicContact CB-CD1 4.46Å; F87-L240 HydrophobicContact CB-CD2 3.94Å; F87-L240 HydrophobicContact CD1-CD1 4.14Å; F87-L240 HydrophobicContact CD2-CD1 3.65Å; F87-L240 HydrophobicContact CE1-CD1 4.27Å; F87-L240 HydrophobicContact CE2-CD1 3.81Å; F87-L240 HydrophobicContact CG-CD1 3.82Å; F87-L240 HydrophobicContact CG-CD2 4.16Å; F87-L240 HydrophobicContact CZ-CD1 4.12Å; M89-L240 HydrophobicContact CG-CD2 3.93Å; M89-L240 HydrophobicContact SD-CD2 3.96Å; L142-L240 HydrophobicContact CD1-CB 4.12Å; L142-L240 HydrophobicContact CD1-CD1 4.14Å; L142-L240 HydrophobicContact CD1-CD2 4.2Å; L142-L240 HydrophobicContact CD1-CG 4.38Å; T227-L240 PolarHBondContact N-O 2.86Å; T227-L240 PolarHBondContact O-N 3.12Å; V229-L240 HydrophobicContact CG2-CB 4.09Å; L240-L242 HydrophobicContact CD1-CD2 3.68Å; L240-L242 HydrophobicContact CD1-CG 4.24Å; L240-L242 HydrophobicContact CD2-CD1 4.36Å; L240-L242 HydrophobicContact CD2-CD2 4.19Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L240-L242 HydrophobicContact CG-CD1 4.32Å; L240-L242 HydrophobicContact CG-CD2 3.84Å; L240-L242 HydrophobicContact CG-CG 3.92Å
241R98.6Very high91.4Very high3 Ų327.8 Ų27.81%0.01114%0.141CC..EExtended strand (participates in β ladder)trans-99.8122.8174.2173.4159.5-78-146.6-10.9109Y153 G154 Y155 G156 P224 D226 W243 D305Y153-R241 HydrophobicContact CD1-CB 4.37Å; G154-R241 PolarHBondContact O-N 2.98Å; Y155-R241 WeakPolarHBondContact CA-O 3.48Å; Y155-R241 HydrophobicContact CD1-CB 4.01Å; Y155-R241 HydrophobicContact CD1-CG 3.99Å; Y155-R241 HydrophobicContact CE1-CB 3.86Å; Y155-R241 VanDerWaalsContact CE1-CD 3.42Å; Y155-R241 HydrophobicContact CE1-CG 3.69Å; G156-R241 PolarHBondContact N-O 2.78Å; G156-R241 VanDerWaalsContact N-O 3.11Å; P224-R241 HydrophobicContact CB-CG 3.96Å; D226-R241 VanDerWaalsContact CG-NH2 3.27Å; D226-R241 IonicContact OD1-CZ 2.83Å; D226-R241 VanDerWaalsContact OD1-CZ 3.28Å; D226-R241 IonicContact OD1-NE 2.64Å; D226-R241 PolarHBondContact OD1-NE 3.26Å; D226-R241 IonicContact OD1-NH2 3.67Å; D226-R241 PolarHBondContact OD1-NH2 3.36Å; D226-R241 IonicContact OD2-CZ 3.63Å; D226-R241 IonicContact OD2-NE 2.72Å; D226-R241 IonicContact OD2-NH2 3.28Å; D226-R241 PolarHBondContact OD2-NH2 3.3Å; R241-W243 HydrophobicContact CG-CZ2 4.31Å; R241-D305 VanDerWaalsContact CD-OD2 3.31Å; R241-D305 WeakPolarHBondContact CD-OD2 3.29Å; R241-D305 IonicContact CZ-OD2 3.39Å; R241-D305 IonicContact NE-OD2 3.84Å; R241-D305 IonicContact NH1-OD1 3.84Å; R241-D305 PolarHBondContact NH1-OD1 3.5Å; R241-D305 IonicContact NH1-OD2 2.9Å; R241-D305 PolarHBondContact NH1-OD2 2.92Å
242L98.5Very high90.1Very high2 Ų229.6 Ų29.61%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-117.3126.7-177.4-58.4169.9000109.6L129 G156 R158 Y225 L240L129-L242 HydrophobicContact CD1-CD1 3.46Å; L129-L242 VanDerWaalsContact CD1-CD1 3.46Å; L129-L242 HydrophobicContact CD2-CD1 4.06Å; L129-L242 HydrophobicContact CG-CD1 4.42Å; G156-L242 WeakPolarHBondContact O-CA 3.28Å; R158-L242 HydrophobicContact CB-CB 3.65Å; R158-L242 HydrophobicContact CG-CB 4.3Å; Y225-L242 PolarHBondContact N-O 3.05Å; Y225-L242 PolarHBondContact O-N 3.44Å; L240-L242 HydrophobicContact CD1-CD2 3.68Å; L240-L242 HydrophobicContact CD1-CG 4.24Å; L240-L242 HydrophobicContact CD2-CD1 4.36Å; L240-L242 HydrophobicContact CD2-CD2 4.19Å; L240-L242 HydrophobicContact CD2-CG 4.42Å; L240-L242 HydrophobicContact CG-CD1 4.32Å; L240-L242 HydrophobicContact CG-CD2 3.84Å; L240-L242 HydrophobicContact CG-CG 3.92Å
243W98.5Very high89.2Confident0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-88.1122.5-179.6-59.9111.9000111Y155 G156 R158 Y196 A222 P224 R241 F297 A301 T302 D305Y155-W243 HydrophobicContact CD1-CZ2 4.11Å; Y155-W243 AromaticContact CD1-NE1 3.56Å; Y155-W243 AromaticContact CE1-CZ2 3.76Å; Y155-W243 HydrophobicContact CE1-CZ2 3.76Å; G156-W243 PolarHBondContact O-N 2.76Å; R158-W243 PolarHBondContact N-O 3.36Å; Y196-W243 AromaticContact CD2-CH2 3.64Å; Y196-W243 HydrophobicContact CD2-CH2 3.64Å; Y196-W243 AromaticContact CD2-CZ3 3.88Å; Y196-W243 HydrophobicContact CD2-CZ3 3.88Å; Y196-W243 AromaticContact CE2-CH2 3.9Å; Y196-W243 HydrophobicContact CE2-CH2 3.9Å; Y196-W243 HydrophobicContact CE2-CZ3 4.44Å; A222-W243 HydrophobicContact CB-CD2 4.21Å; A222-W243 HydrophobicContact CB-CE3 3.69Å; A222-W243 HydrophobicContact CB-CZ3 4.22Å; P224-W243 HydrophobicContact CB-CE3 3.76Å; P224-W243 HydrophobicContact CB-CH2 4.05Å; P224-W243 HydrophobicContact CB-CZ3 3.45Å; P224-W243 VanDerWaalsContact CB-CZ3 3.45Å; P224-W243 HydrophobicContact CG-CE3 4.15Å; P224-W243 HydrophobicContact CG-CH2 4.13Å; P224-W243 HydrophobicContact CG-CZ3 3.46Å; P224-W243 VanDerWaalsContact CG-CZ3 3.46Å; R241-W243 HydrophobicContact CG-CZ2 4.31Å; W243-F297 HydrophobicContact CB-CD1 4.26Å; W243-F297 HydrophobicContact CB-CE1 3.48Å; W243-F297 VanDerWaalsContact CB-CE1 3.48Å; W243-F297 HydrophobicContact CB-CZ 3.98Å; W243-A301 HydrophobicContact CD2-CB 3.56Å; W243-A301 VanDerWaalsContact CE2-CB 3.48Å; W243-A301 HydrophobicContact CE3-CB 3.91Å; W243-A301 HydrophobicContact CG-CB 3.98Å; W243-A301 HydrophobicContact CH2-CB 4.13Å; W243-A301 VanDerWaalsContact CZ2-C 3.41Å; W243-A301 HydrophobicContact CZ2-CB 3.81Å; W243-A301 VanDerWaalsContact CZ2-O 3.26Å; W243-A301 WeakPolarHBondContact CZ2-O 3.4Å; W243-A301 HydrophobicContact CZ3-CB 4.16Å; W243-T302 PolarHBondContact NE1-OG1 2.85Å; W243-D305 HydrophobicContact CH2-CB 3.94Å; W243-D305 HydrophobicContact CZ2-CB 3.98Å
244S97.2Very high88.4Confident0 Ų031.8 Ų31.80%018%0.178CC..EExtended strand (participates in β ladder)trans-100.2132.3167.3-171.10000109.3M223 K246 S275M223-S244 PolarHBondContact N-O 2.91Å; M223-S244 PolarHBondContact O-N 3.29Å; S244-K246 WeakPolarHBondContact OG-CE 3.44Å; S244-K246 PolarHBondContact OG-NZ 3.14Å; S244-S275 PolarHBondContact OG-OG 3.07Å
245A96Very high87.1Confident0 Ų033.6 Ų33.60%019%0.187CC..EExtended strand (participates in β ladder)trans-75.9138.8177.800000110.4V220 A271 I274 S275 F297V220-A245 HydrophobicContact CG1-CB 4.03Å; A245-A271 WeakPolarHBondContact CB-O 3.44Å; A245-I274 HydrophobicContact CB-CB 3.89Å; A245-I274 HydrophobicContact CB-CG2 4.33Å; A245-S275 PolarHBondContact N-OG 3.5Å; A245-F297 VanDerWaalsContact CA-CZ 3.48Å; A245-F297 HydrophobicContact CB-CE1 4.27Å; A245-F297 HydrophobicContact CB-CE2 4.01Å; A245-F297 HydrophobicContact CB-CZ 3.73Å
246K92.7Very high86.1Confident54 Ų5436.7 Ų36.724%0.23520%0.2CC..EExtended strand (participates in β ladder)trans-140.2141.3-179.3-61.2-68.3157.8-108.90110.1F221 M223 S244F221-K246 HydrophobicContact CB-CB 4.3Å; F221-K246 PolarHBondContact N-O 3.4Å; F221-K246 PolarHBondContact O-N 3.33Å; M223-K246 HydrophobicContact CB-CG 3.82Å; M223-K246 HydrophobicContact SD-CG 4.29Å; S244-K246 WeakPolarHBondContact OG-CE 3.44Å; S244-K246 PolarHBondContact OG-NZ 3.14Å
247A85.5Confident85.4Confident16 Ų1642 Ų4213%0.13223%0.229CC..  trans-80.1146-178.700000112.5K249 R268 A271A247-K249 VanDerWaalsContact CB-O 3.27Å; A247-K249 WeakPolarHBondContact CB-O 3.34Å; A247-K249 PolarHBondContact O-N 3.29Å; A247-R268 HydrophobicContact CB-CB 3.96Å; A247-R268 HydrophobicContact CB-CG 3.74Å; A247-A271 HydrophobicContact CB-CB 3.99Å
248P76.3Confident84.6Confident71 Ų7149.3 Ų49.346%0.46127%0.265SS..SBendtrans-57.4-33.4173.2-2634.4000114.1P219 F221P219-P248 HydrophobicContact CB-CG 4.43Å; P219-P248 HydrophobicContact CG-CG 3.98Å; P219-P248 WeakPolarHBondContact O-CD 3.41Å; P219-P248 WeakPolarHBondContact O-CG 3.48Å; F221-P248 HydrophobicContact CD2-CB 4.24Å; F221-P248 HydrophobicContact CD2-CG 4.05Å; F221-P248 HydrophobicContact CE2-CB 3.86Å; F221-P248 HydrophobicContact CE2-CG 3.95Å
249K72.7Confident83.5Confident135 Ų13551 Ų5159%0.58728%0.283SS*.  trans-126.4127.1166.1-64.2-175.5-173.6-177.60107.6A247 F251 D252A247-K249 VanDerWaalsContact CB-O 3.27Å; A247-K249 WeakPolarHBondContact CB-O 3.34Å; A247-K249 PolarHBondContact O-N 3.29Å; K249-F251 VanDerWaalsContact C-N 3.26Å; K249-F251 PolarHBondContact O-N 3.47Å; K249-D252 IonicContact NZ-OD2 3.91Å; K249-D252 PolarHBondContact NZ-OD2 2.78Å
250S65.7Low82.6Confident77 Ų7754 Ų5454%0.53830%0.298SS..SBendtrans-76.3-14.7175.352.80000113.5R268S250-R268 WeakPolarHBondContact O-CD 3.45Å; S250-R268 PolarHBondContact O-NH1 3.49Å
251F72.3Confident81.7Confident87 Ų8760.7 Ų60.738%0.38233%0.325SS..  trans-164.5138.5-173.3179.3-110.2000109.2K249 L253 F256 A264 V265K249-F251 VanDerWaalsContact C-N 3.26Å; K249-F251 PolarHBondContact O-N 3.47Å; F251-L253 HydrophobicContact CD1-CB 4.21Å; F251-L253 HydrophobicContact CE1-CB 3.87Å; F251-L253 HydrophobicContact CE1-CD1 3.93Å; F251-L253 HydrophobicContact CE1-CG 4.49Å; F251-F256 HydrophobicContact CE1-CB 4.29Å; F251-F256 HydrophobicContact CE1-CG 4.4Å; F251-F256 HydrophobicContact CE2-CB 4.03Å; F251-F256 AromaticContact CE2-CD2 3.44Å; F251-F256 HydrophobicContact CE2-CD2 3.44Å; F251-F256 VanDerWaalsContact CE2-CD2 3.44Å; F251-F256 HydrophobicContact CE2-CE2 4.1Å; F251-F256 AromaticContact CE2-CG 3.87Å; F251-F256 HydrophobicContact CE2-CG 3.87Å; F251-F256 HydrophobicContact CZ-CB 3.58Å; F251-F256 HydrophobicContact CZ-CD1 4.01Å; F251-F256 AromaticContact CZ-CD2 3.43Å; F251-F256 HydrophobicContact CZ-CD2 3.43Å; F251-F256 VanDerWaalsContact CZ-CD2 3.43Å; F251-F256 HydrophobicContact CZ-CE2 4.08Å; F251-F256 AromaticContact CZ-CG 3.39Å; F251-F256 HydrophobicContact CZ-CG 3.39Å; F251-A264 WeakPolarHBondContact CA-O 3.25Å; F251-A264 HydrophobicContact CE2-CB 4.36Å; F251-V265 HydrophobicContact CD2-CG1 4.07Å
252D70.3Confident80.5Confident41 Ų4166.5 Ų66.522%0.21936%0.355CS..  trans-108.5102.9168.8-158.5-67.1000111.4K249 G254 I255 F256 A264K249-D252 IonicContact NZ-OD2 3.91Å; K249-D252 PolarHBondContact NZ-OD2 2.78Å; D252-G254 PolarHBondContact O-N 2.95Å; D252-G254 WeakPolarHBondContact OD1-CA 3.34Å; D252-G254 PolarHBondContact OD1-N 3.01Å; D252-I255 HydrophobicContact CB-CB 4.3Å; D252-I255 HydrophobicContact CB-CD1 4.06Å; D252-I255 HydrophobicContact CB-CG1 4.15Å; D252-I255 PolarHBondContact O-N 2.96Å; D252-I255 PolarHBondContact OD1-N 2.8Å; D252-F256 WeakPolarHBondContact O-CB 3.44Å; D252-F256 PolarHBondContact O-N 2.83Å; D252-A264 PolarHBondContact N-O 3.14Å
253L77.5Confident79.2Confident101 Ų10170.4 Ų70.453%0.52938%0.375SS..Hα-helixtrans-64.4-24.8179.8179.661.2000112.8F251 N257F251-L253 HydrophobicContact CD1-CB 4.21Å; F251-L253 HydrophobicContact CE1-CB 3.87Å; F251-L253 HydrophobicContact CE1-CD1 3.93Å; F251-L253 HydrophobicContact CE1-CG 4.49Å; L253-N257 WeakPolarHBondContact CD1-OD1 3.35Å; L253-N257 VanDerWaalsContact O-CB 3.27Å; L253-N257 WeakPolarHBondContact O-CB 3.35Å; L253-N257 PolarHBondContact O-N 3.13Å; L253-N257 PolarHBondContact O-ND2 3.43Å
254G77.3Confident77.9Confident41 Ų4170.6 Ų70.642%0.42338%0.377SS..Hα-helixtrans-69-49.4175.800000111.1D252 F256 N257 M258D252-G254 PolarHBondContact O-N 2.95Å; D252-G254 WeakPolarHBondContact OD1-CA 3.34Å; D252-G254 PolarHBondContact OD1-N 3.01Å; G254-F256 VanDerWaalsContact C-N 3.35Å; G254-N257 PolarHBondContact O-N 3.32Å; G254-M258 PolarHBondContact O-N 2.84Å
255I67.4Low76.8Confident54 Ų5472.2 Ų72.228%0.27739%0.387SS..Hα-helixtrans-63.1-42.5175.9-58.3178.5000110.7D252 N257 M258 D260 N263 A264D252-I255 HydrophobicContact CB-CB 4.3Å; D252-I255 HydrophobicContact CB-CD1 4.06Å; D252-I255 HydrophobicContact CB-CG1 4.15Å; D252-I255 PolarHBondContact O-N 2.96Å; D252-I255 PolarHBondContact OD1-N 2.8Å; I255-N257 PolarHBondContact O-N 3.15Å; I255-M258 HydrophobicContact CG1-CE 4.39Å; I255-M258 PolarHBondContact O-N 2.86Å; I255-D260 HydrophobicContact CG2-CB 3.81Å; I255-D260 WeakPolarHBondContact CG2-O 3.3Å; I255-D260 PolarHBondContact O-N 2.76Å; I255-N263 HydrophobicContact CG2-CB 4.1Å; I255-A264 HydrophobicContact CB-CB 4.24Å; I255-A264 HydrophobicContact CG2-CB 4.21Å
256F73.4Confident75.7Confident77 Ų7774.5 Ų74.534%0.33840%0.402SS..Hα-helixtrans-59.8-44.1176-173-87.6000112.8F251 D252 G254 M258 G259 Y261 A264F251-F256 HydrophobicContact CE1-CB 4.29Å; F251-F256 HydrophobicContact CE1-CG 4.4Å; F251-F256 HydrophobicContact CE2-CB 4.03Å; F251-F256 AromaticContact CE2-CD2 3.44Å; F251-F256 HydrophobicContact CE2-CD2 3.44Å; F251-F256 VanDerWaalsContact CE2-CD2 3.44Å; F251-F256 HydrophobicContact CE2-CE2 4.1Å; F251-F256 AromaticContact CE2-CG 3.87Å; F251-F256 HydrophobicContact CE2-CG 3.87Å; F251-F256 HydrophobicContact CZ-CB 3.58Å; F251-F256 HydrophobicContact CZ-CD1 4.01Å; F251-F256 AromaticContact CZ-CD2 3.43Å; F251-F256 HydrophobicContact CZ-CD2 3.43Å; F251-F256 VanDerWaalsContact CZ-CD2 3.43Å; F251-F256 HydrophobicContact CZ-CE2 4.08Å; F251-F256 AromaticContact CZ-CG 3.39Å; F251-F256 HydrophobicContact CZ-CG 3.39Å; D252-F256 WeakPolarHBondContact O-CB 3.44Å; D252-F256 PolarHBondContact O-N 2.83Å; G254-F256 VanDerWaalsContact C-N 3.35Å; F256-M258 PolarHBondContact O-N 3.49Å; F256-G259 WeakPolarHBondContact O-CA 3.25Å; F256-G259 PolarHBondContact O-N 2.81Å; F256-Y261 HydrophobicContact CD1-CD1 4.25Å; F256-Y261 HydrophobicContact CD1-CE1 4.25Å; F256-Y261 AromaticContact CD2-CD1 3.44Å; F256-Y261 HydrophobicContact CD2-CD1 3.44Å; F256-Y261 VanDerWaalsContact CD2-CD1 3.44Å; F256-Y261 HydrophobicContact CD2-CE1 4.22Å; F256-Y261 HydrophobicContact CD2-CG 4.25Å; F256-Y261 HydrophobicContact CE1-CD1 4.19Å; F256-Y261 HydrophobicContact CE1-CE1 4.03Å; F256-Y261 AromaticContact CE2-CD1 3.37Å; F256-Y261 HydrophobicContact CE2-CD1 3.37Å; F256-Y261 HydrophobicContact CE2-CE1 4.01Å; F256-Y261 HydrophobicContact CE2-CG 4.03Å; F256-Y261 AromaticContact CG-CD1 3.89Å; F256-Y261 HydrophobicContact CG-CD1 3.89Å; F256-Y261 HydrophobicContact CG-CE1 4.34Å; F256-Y261 AromaticContact CZ-CD1 3.77Å; F256-Y261 HydrophobicContact CZ-CD1 3.77Å; F256-Y261 AromaticContact CZ-CE1 3.9Å; F256-Y261 HydrophobicContact CZ-CE1 3.9Å; F256-Y261 WeakPolarHBondContact O-CE1 3.29Å; F256-A264 HydrophobicContact CB-CB 3.89Å; F256-A264 HydrophobicContact CD2-CB 4.4Å
257N81.1Confident74.6Confident119 Ų11975.5 Ų75.564%0.63642%0.421SS*.Hα-helixtrans-70.2-13.9179.5-73.1-12.3000113.7L253 G254 I255 G259L253-N257 WeakPolarHBondContact CD1-OD1 3.35Å; L253-N257 VanDerWaalsContact O-CB 3.27Å; L253-N257 WeakPolarHBondContact O-CB 3.35Å; L253-N257 PolarHBondContact O-N 3.13Å; L253-N257 PolarHBondContact O-ND2 3.43Å; G254-N257 PolarHBondContact O-N 3.32Å; I255-N257 PolarHBondContact O-N 3.15Å; N257-G259 VanDerWaalsContact C-N 3.28Å
258M80.6Confident74.1Confident153 Ų15378.1 Ų78.175%0.75443%0.428SS*.THydrogen-bonded Turntrans-850.8168-64.9-173.8-66.100113G254 I255 F256G254-M258 PolarHBondContact O-N 2.84Å; I255-M258 HydrophobicContact CG1-CE 4.39Å; I255-M258 PolarHBondContact O-N 2.86Å; F256-M258 PolarHBondContact O-N 3.49Å
259G75.4Confident74.2Confident38 Ų3877.2 Ų77.239%0.39242%0.419SS..THydrogen-bonded Turntrans90.3-4-179.700000114.9F256 N257 Y261F256-G259 WeakPolarHBondContact O-CA 3.25Å; F256-G259 PolarHBondContact O-N 2.81Å; N257-G259 VanDerWaalsContact C-N 3.28Å; G259-Y261 VanDerWaalsContact C-N 3.3Å; G259-Y261 PolarHBondContact O-N 2.83Å
260D79.7Confident74.5Confident63 Ų6375.5 Ų75.534%0.33741%0.413SS..  trans-8870.3-179.4-170.6-12.4000111.1I255 I262 N263 A264I255-D260 HydrophobicContact CG2-CB 3.81Å; I255-D260 WeakPolarHBondContact CG2-O 3.3Å; I255-D260 PolarHBondContact O-N 2.76Å; D260-I262 PolarHBondContact O-N 2.71Å; D260-N263 PolarHBondContact O-N 2.97Å; D260-N263 WeakPolarHBondContact OD1-CB 3.42Å; D260-N263 PolarHBondContact OD1-N 3.16Å; D260-N263 PolarHBondContact OD1-ND2 2.75Å; D260-N263 WeakPolarHBondContact OD2-CB 3.42Å; D260-N263 PolarHBondContact OD2-ND2 3.39Å; D260-A264 WeakPolarHBondContact O-CB 3.48Å; D260-A264 PolarHBondContact O-N 3.04Å; D260-A264 VanDerWaalsContact O-N 3.15Å
261Y78.6Confident75.3Confident143 Ų14372.2 Ų72.256%0.56139%0.39SS*.THydrogen-bonded Turntrans-63.8-21.2-176.1-46.9-45.1000113.5F256 G259F256-Y261 HydrophobicContact CD1-CD1 4.25Å; F256-Y261 HydrophobicContact CD1-CE1 4.25Å; F256-Y261 AromaticContact CD2-CD1 3.44Å; F256-Y261 HydrophobicContact CD2-CD1 3.44Å; F256-Y261 VanDerWaalsContact CD2-CD1 3.44Å; F256-Y261 HydrophobicContact CD2-CE1 4.22Å; F256-Y261 HydrophobicContact CD2-CG 4.25Å; F256-Y261 HydrophobicContact CE1-CD1 4.19Å; F256-Y261 HydrophobicContact CE1-CE1 4.03Å; F256-Y261 AromaticContact CE2-CD1 3.37Å; F256-Y261 HydrophobicContact CE2-CD1 3.37Å; F256-Y261 HydrophobicContact CE2-CE1 4.01Å; F256-Y261 HydrophobicContact CE2-CG 4.03Å; F256-Y261 AromaticContact CG-CD1 3.89Å; F256-Y261 HydrophobicContact CG-CD1 3.89Å; F256-Y261 HydrophobicContact CG-CE1 4.34Å; F256-Y261 AromaticContact CZ-CD1 3.77Å; F256-Y261 HydrophobicContact CZ-CD1 3.77Å; F256-Y261 AromaticContact CZ-CE1 3.9Å; F256-Y261 HydrophobicContact CZ-CE1 3.9Å; F256-Y261 WeakPolarHBondContact O-CE1 3.29Å; G259-Y261 VanDerWaalsContact C-N 3.3Å; G259-Y261 PolarHBondContact O-N 2.83Å
262I73.3Confident76.1Confident125 Ų12569.7 Ų69.764%0.64138%0.379SS*.THydrogen-bonded Turntrans-80.6-53.7-179.9-64.2176.6000109.6D260 A264 V265 C266D260-I262 PolarHBondContact O-N 2.71Å; I262-A264 PolarHBondContact O-N 2.98Å; I262-V265 VanDerWaalsContact O-CG2 3.29Å; I262-V265 WeakPolarHBondContact O-CG2 3.09Å; I262-V265 PolarHBondContact O-N 3.19Å; I262-C266 PolarHBondContact O-N 3.49Å; I262-C266 PolarHBondContact O-SG 3.45Å
263N72.3Confident77.1Confident83 Ų8370.5 Ų70.544%0.44438%0.384SS..Hα-helixtrans-69-23.7-178.9-68.3-45.2000113I255 D260 V265 C266I255-N263 HydrophobicContact CG2-CB 4.1Å; D260-N263 PolarHBondContact O-N 2.97Å; D260-N263 WeakPolarHBondContact OD1-CB 3.42Å; D260-N263 PolarHBondContact OD1-N 3.16Å; D260-N263 PolarHBondContact OD1-ND2 2.75Å; D260-N263 WeakPolarHBondContact OD2-CB 3.42Å; D260-N263 PolarHBondContact OD2-ND2 3.39Å; N263-V265 PolarHBondContact O-N 3.33Å; N263-C266 PolarHBondContact O-N 3.41Å; N263-C266 PolarHBondContact OD1-SG 2.93Å
264A70.1Confident77.8Confident5 Ų565.7 Ų65.74%0.04136%0.358CS..Hα-helixtrans-56.5-17.7168.600000114.5F251 D252 I255 F256 D260 I262F251-A264 WeakPolarHBondContact CA-O 3.25Å; F251-A264 HydrophobicContact CE2-CB 4.36Å; D252-A264 PolarHBondContact N-O 3.14Å; I255-A264 HydrophobicContact CB-CB 4.24Å; I255-A264 HydrophobicContact CG2-CB 4.21Å; F256-A264 HydrophobicContact CB-CB 3.89Å; F256-A264 HydrophobicContact CD2-CB 4.4Å; D260-A264 WeakPolarHBondContact O-CB 3.48Å; D260-A264 PolarHBondContact O-N 3.04Å; D260-A264 VanDerWaalsContact O-N 3.15Å; I262-A264 PolarHBondContact O-N 2.98Å
265V75.4Confident78.6Confident33 Ų3363.7 Ų63.720%0.234%0.338CS..Hα-helixtrans-125.1-9.3174.9-62.20000115.1F251 I262 N263 A267 R268 N269F251-V265 HydrophobicContact CD2-CG1 4.07Å; I262-V265 VanDerWaalsContact O-CG2 3.29Å; I262-V265 WeakPolarHBondContact O-CG2 3.09Å; I262-V265 PolarHBondContact O-N 3.19Å; N263-V265 PolarHBondContact O-N 3.33Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 2.81Å; V265-R268 WeakPolarHBondContact O-CB 3.48Å; V265-R268 PolarHBondContact O-N 2.88Å; V265-N269 PolarHBondContact O-N 3.2Å
266C72.3Confident79.7Confident48 Ų4864.8 Ų64.832%0.32434%0.339SS..Hα-helixtrans-53.1-47.2178-79.70000113I262 N263 R268 N269 H270I262-C266 PolarHBondContact O-N 3.49Å; I262-C266 PolarHBondContact O-SG 3.45Å; N263-C266 PolarHBondContact O-N 3.41Å; N263-C266 PolarHBondContact OD1-SG 2.93Å; C266-R268 PolarHBondContact O-N 2.94Å; C266-N269 PolarHBondContact O-N 3.28Å; C266-H270 PolarHBondContact O-N 2.86Å
267A69.7Low80.5Confident76 Ų7663.6 Ų63.663%0.62834%0.338SS*.Hα-helixtrans-60.5-33.8178.200000112.6V265 A271V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 2.81Å; A267-A271 PolarHBondContact O-N 2.83Å
268R75.8Confident80.9Confident71 Ų7157.9 Ų57.927%0.26831%0.307SS..Hα-helixtrans-67.1-52.8173.8-173.4-166.666.5-126.32.5110.8A247 S250 V265 C266 H270 A271 E272A247-R268 HydrophobicContact CB-CB 3.96Å; A247-R268 HydrophobicContact CB-CG 3.74Å; S250-R268 WeakPolarHBondContact O-CD 3.45Å; S250-R268 PolarHBondContact O-NH1 3.49Å; V265-R268 WeakPolarHBondContact O-CB 3.48Å; V265-R268 PolarHBondContact O-N 2.88Å; C266-R268 PolarHBondContact O-N 2.94Å; R268-H270 VanDerWaalsContact C-N 3.32Å; R268-H270 PolarHBondContact O-N 2.63Å; R268-A271 PolarHBondContact O-N 2.76Å; R268-A271 VanDerWaalsContact O-N 3.14Å; R268-E272 WeakPolarHBondContact CD-OE1 3.33Å; R268-E272 WeakPolarHBondContact CD-OE2 3.48Å; R268-E272 HydrophobicContact CG-CG 4.08Å; R268-E272 WeakPolarHBondContact CG-OE1 3.17Å; R268-E272 WeakPolarHBondContact CG-OE2 3.4Å; R268-E272 IonicContact NE-OE2 2.94Å; R268-E272 PolarHBondContact NE-OE2 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.46Å; R268-E272 PolarHBondContact O-N 3.05Å
269N77.4Confident80.9Confident51 Ų5152.3 Ų52.327%0.27328%0.278SS..Hα-helixtrans-58.3-42.9-177.7-66.9-28.9000111.7V265 C266 A271 E272 N273 R276V265-N269 PolarHBondContact O-N 3.2Å; C266-N269 PolarHBondContact O-N 3.28Å; N269-A271 VanDerWaalsContact C-N 3.33Å; N269-A271 PolarHBondContact O-N 3.02Å; N269-E272 PolarHBondContact O-N 3.26Å; N269-N273 WeakPolarHBondContact O-CB 3.31Å; N269-N273 PolarHBondContact O-N 3.05Å; N269-N273 PolarHBondContact O-ND2 2.85Å; N269-N273 PolarHBondContact O-OD1 3.46Å; N269-R276 PolarHBondContact OD1-NH2 2.96Å
270H79.4Confident81.1Confident100 Ų10051.5 Ų51.546%0.46327%0.266SS..Hα-helixtrans-67-28.2178.4-175.177.6000114.3Y201 C266 R268 E289 R293Y201-H270 AromaticContact CE2-NE2 3.69Å; Y201-H270 AromaticContact CZ-NE2 3.34Å; Y201-H270 VanDerWaalsContact CZ-NE2 3.34Å; Y201-H270 PolarHBondContact OH-NE2 2.95Å; C266-H270 PolarHBondContact O-N 2.86Å; R268-H270 VanDerWaalsContact C-N 3.32Å; R268-H270 PolarHBondContact O-N 2.63Å; H270-E289 IonicContact CE1-OE1 3.24Å; H270-E289 PolarHBondContact CE1-OE1 3.44Å; H270-E289 IonicContact NE2-OE1 2.82Å; H270-R293 PolarHBondContact CE1-NH1 3.01Å; H270-R293 PolarHBondContact NE2-NH1 3.28Å; H270-R293 PolarHBondContact O-NH2 2.82Å
271A82.7Confident81Confident7 Ų751.5 Ų51.56%0.05827%0.266CS..Hα-helixtrans-77-47.3172.400000111.5V220 A245 A247 A267 R268 N269 N273V220-A271 HydrophobicContact CG1-CB 4.12Å; V220-A271 HydrophobicContact CG2-CB 3.9Å; A245-A271 WeakPolarHBondContact CB-O 3.44Å; A247-A271 HydrophobicContact CB-CB 3.99Å; A267-A271 PolarHBondContact O-N 2.83Å; R268-A271 PolarHBondContact O-N 2.76Å; R268-A271 VanDerWaalsContact O-N 3.14Å; N269-A271 VanDerWaalsContact C-N 3.33Å; N269-A271 PolarHBondContact O-N 3.02Å; A271-N273 PolarHBondContact O-N 3.47Å
272E89.1Confident80.8Confident34 Ų3447 Ų4716%0.15925%0.252CS..Hα-helixtrans-73.7-24.3-174.7-66.7-179.6160.900113.6R268 N269 I274 S275R268-E272 WeakPolarHBondContact CD-OE1 3.33Å; R268-E272 WeakPolarHBondContact CD-OE2 3.48Å; R268-E272 HydrophobicContact CG-CG 4.08Å; R268-E272 WeakPolarHBondContact CG-OE1 3.17Å; R268-E272 WeakPolarHBondContact CG-OE2 3.4Å; R268-E272 IonicContact NE-OE2 2.94Å; R268-E272 PolarHBondContact NE-OE2 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.46Å; R268-E272 PolarHBondContact O-N 3.05Å; N269-E272 PolarHBondContact O-N 3.26Å; E272-I274 PolarHBondContact O-N 2.86Å; E272-S275 PolarHBondContact O-N 2.82Å
273N89.8Confident80.8Confident58 Ų5846.2 Ų46.231%0.3125%0.249SC..G310 helixtrans-50.8-29.6175.6-82.7-9.3000113.5N269 A271 S275 R276 L290N269-N273 WeakPolarHBondContact O-CB 3.31Å; N269-N273 PolarHBondContact O-N 3.05Å; N269-N273 PolarHBondContact O-ND2 2.85Å; N269-N273 PolarHBondContact O-OD1 3.46Å; A271-N273 PolarHBondContact O-N 3.47Å; N273-S275 VanDerWaalsContact C-N 3.25Å; N273-S275 PolarHBondContact O-N 3.11Å; N273-R276 PolarHBondContact O-N 2.82Å; N273-R276 WeakPolarHBondContact OD1-CD 3.44Å; N273-R276 PolarHBondContact OD1-NE 3.45Å; N273-R276 PolarHBondContact OD1-NH1 2.92Å; N273-L290 HydrophobicContact CB-CD1 4.41Å
274I93.1Very high81.2Confident0 Ų049 Ų490%026%0.257CS..G310 helixtrans-52.2-42.7176.2-66.9173000111.3F200 V220 A245 E272 L290 R293 Q294 F297F200-I274 HydrophobicContact CE2-CD1 3.93Å; F200-I274 HydrophobicContact CZ-CD1 3.91Å; V220-I274 HydrophobicContact CG1-CD1 4.41Å; V220-I274 HydrophobicContact CG2-CD1 4.32Å; A245-I274 HydrophobicContact CB-CB 3.89Å; A245-I274 HydrophobicContact CB-CG2 4.33Å; E272-I274 PolarHBondContact O-N 2.86Å; I274-L290 HydrophobicContact CG1-CD1 4.28Å; I274-R293 HydrophobicContact CD1-CB 4.3Å; I274-R293 HydrophobicContact CG1-CB 4.34Å; I274-Q294 HydrophobicContact CG2-CG 3.97Å; I274-Q294 WeakPolarHBondContact O-CG 3.25Å; I274-Q294 PolarHBondContact O-NE2 3.17Å; I274-F297 HydrophobicContact CG2-CB 3.8Å; I274-F297 HydrophobicContact CG2-CD1 3.65Å; I274-F297 HydrophobicContact CG2-CD2 4.3Å; I274-F297 HydrophobicContact CG2-CE1 4.25Å; I274-F297 HydrophobicContact CG2-CG 3.67Å
275S94.1Very high81.6Confident0 Ų054.2 Ų54.20%028%0.279CS..G310 helixtrans-102.823.3-178.471.50000114.3Y159 D160 S244 A245 E272 N273Y159-S275 CarbonylContact C-O 3.57Å; Y159-S275 VanDerWaalsContact CA-O 3.29Å; Y159-S275 WeakPolarHBondContact CA-O 3.36Å; D160-S275 PolarHBondContact N-O 2.88Å; S244-S275 PolarHBondContact OG-OG 3.07Å; A245-S275 PolarHBondContact N-OG 3.5Å; E272-S275 PolarHBondContact O-N 2.82Å; N273-S275 VanDerWaalsContact C-N 3.25Å; N273-S275 PolarHBondContact O-N 3.11Å
276R91.3Very high82Confident76 Ų7657.4 Ų57.429%0.28730%0.298SS..THydrogen-bonded Turntrans-86.6-54.8178.3-71-172.6-174.9-172.70.9113.5D160 Y161 N269 N273D160-R276 PolarHBondContact N-O 3.28Å; Y161-R276 HydrophobicContact CD2-CB 4.4Å; Y161-R276 PolarHBondContact N-O 2.85Å; N269-R276 PolarHBondContact OD1-NH2 2.96Å; N273-R276 PolarHBondContact O-N 2.82Å; N273-R276 WeakPolarHBondContact OD1-CD 3.44Å; N273-R276 PolarHBondContact OD1-NE 3.45Å; N273-R276 PolarHBondContact OD1-NH1 2.92Å
277V90.2Very high82.6Confident52 Ų5255.5 Ų55.532%0.31529%0.287SS..  trans-131.6133.3-170.7-1800000111.1Y159 G162 Q294Y159-V277 VanDerWaalsContact CD1-C 3.42Å; Y159-V277 WeakPolarHBondContact CE1-O 3.44Å; G162-V277 CarbonylContact O-C 3.6Å; G162-V277 WeakPolarHBondContact O-CA 3.33Å; V277-Q294 PolarHBondContact O-NE2 3.23Å
278L88Confident83.6Confident0 Ų055.4 Ų55.40%027%0.273CS..SBendtrans-79133.9171.6171.262.5000109.8L85 E86 Y159 G162L85-L278 HydrophobicContact CB-CD1 4.36Å; E86-L278 HydrophobicContact CB-CD1 4.48Å; E86-L278 HydrophobicContact CB-CD2 4.02Å; Y159-L278 HydrophobicContact CD1-CB 4.02Å; Y159-L278 HydrophobicContact CD2-CB 3.85Å; Y159-L278 HydrophobicContact CE1-CB 3.96Å; Y159-L278 HydrophobicContact CE2-CB 3.78Å; Y159-L278 HydrophobicContact CE2-CD1 3.67Å; Y159-L278 HydrophobicContact CE2-CD2 4.49Å; Y159-L278 HydrophobicContact CE2-CG 4.16Å; Y159-L278 HydrophobicContact CG-CB 3.94Å; Y159-L278 WeakPolarHBondContact OH-CD1 3.46Å; G162-L278 WeakPolarHBondContact O-CB 2.99Å; G162-L278 PolarHBondContact O-N 3.29Å
279Y81.3Confident84.4Confident35 Ų3552.7 Ų52.714%0.13726%0.263CS..SBendtrans5259.2-179.3-57.6-50.2000114.2L85 E86 I163 H335L85-Y279 HydrophobicContact CD1-CE1 4.37Å; E86-Y279 PolarHBondContact OE1-OH 3.22Å; I163-Y279 HydrophobicContact CD1-CD2 4.39Å; Y279-H335 AromaticContact CE1-NE2 3.57Å; Y279-H335 AromaticContact CZ-NE2 3.97Å; Y279-H335 PolarHBondContact OH-CE1 3.23Å; Y279-H335 PolarHBondContact OH-NE2 3.35Å
280P80.1Confident85.1Confident21 Ų2151.8 Ų51.814%0.13626%0.258CS..  trans-62154.617230.4-36.5000111.4D282 L290 R291P280-D282 PolarHBondContact O-N 3.44Å; P280-L290 HydrophobicContact CB-CD2 4.07Å; P280-L290 HydrophobicContact CG-CB 4.48Å; P280-L290 HydrophobicContact CG-CD2 3.89Å; P280-L290 HydrophobicContact CG-CG 4.13Å; P280-R291 HydrophobicContact CG-CG 3.94Å
281N76.5Confident85.7Confident64 Ų6449.2 Ų49.234%0.34224%0.244SC..  trans-63.8114.3-179.7-176.3-9.9000111.5N283N281-N283 VanDerWaalsContact OD1-CB 3.32Å; N281-N283 WeakPolarHBondContact OD1-CB 3.41Å; N281-N283 PolarHBondContact OD1-N 2.98Å; N281-N283 VanDerWaalsContact OD1-N 3.14Å
282D74.1Confident86.3Confident48 Ų4848.9 Ų48.926%0.25724%0.241SC..  trans-104.113.4-173.554.5-1.6000114P280 F284 K288 R291P280-D282 PolarHBondContact O-N 3.44Å; D282-F284 PolarHBondContact O-N 3.33Å; D282-F284 VanDerWaalsContact O-N 3.1Å; D282-K288 HydrophobicContact CB-CG 4.04Å; D282-K288 WeakPolarHBondContact O-CE 3.19Å; D282-K288 WeakPolarHBondContact O-CG 3.41Å; D282-R291 WeakPolarHBondContact OD2-CD 3.07Å; D282-R291 IonicContact OD2-CZ 2.69Å; D282-R291 IonicContact OD2-NE 2.8Å; D282-R291 IonicContact OD2-NH1 2.69Å; D282-R291 PolarHBondContact OD2-NH1 3.36Å
283N75Confident86.6Confident108 Ų10847.5 Ų47.558%0.57824%0.235SC*.SBendtrans-60.3-15.6166.6-70.4-11000112.9N281N281-N283 VanDerWaalsContact OD1-CB 3.32Å; N281-N283 WeakPolarHBondContact OD1-CB 3.41Å; N281-N283 PolarHBondContact OD1-N 2.98Å; N281-N283 VanDerWaalsContact OD1-N 3.14Å
284F79Confident86.9Confident141 Ų14144.8 Ų44.862%0.61822%0.22SC*.SBendtrans-122.2151.7-178.5-49.5-79.3000111.4D282 V286 G287 K288D282-F284 PolarHBondContact O-N 3.33Å; D282-F284 VanDerWaalsContact O-N 3.1Å; F284-V286 VanDerWaalsContact C-N 3.32Å; F284-V286 PolarHBondContact O-N 2.7Å; F284-G287 PolarHBondContact O-N 3.34Å; F284-K288 PolarHBondContact O-N 2.82Å
285F79.7Confident87.1Confident115 Ų11544.8 Ų44.850%0.50422%0.22SC..Hα-helixtrans-50.7-46.4-177.1-179.7-86.1000113.5G287 K288 E289 L385F285-G287 PolarHBondContact O-N 3.35Å; F285-K288 WeakPolarHBondContact O-CB 3.37Å; F285-K288 PolarHBondContact O-N 3.1Å; F285-K288 VanDerWaalsContact O-N 3.1Å; F285-E289 HydrophobicContact CE1-CB 4.45Å; F285-E289 PolarHBondContact O-N 2.86Å; F285-L385 HydrophobicContact CD2-CD1 4.44Å; F285-L385 HydrophobicContact CE1-CD1 4.21Å; F285-L385 HydrophobicContact CE2-CD1 3.64Å; F285-L385 HydrophobicContact CZ-CD1 3.5Å; F285-L385 VanDerWaalsContact CZ-CD1 3.5Å
286V83.9Confident87.3Confident100 Ų10045 Ų4561%0.60622%0.221SC*.Hα-helixtrans-63.1-30.8-179-176.70000112.2F284 L290F284-V286 VanDerWaalsContact C-N 3.32Å; F284-V286 PolarHBondContact O-N 2.7Å; V286-L290 VanDerWaalsContact O-CB 3.32Å; V286-L290 WeakPolarHBondContact O-CB 3.45Å; V286-L290 PolarHBondContact O-N 3.21Å
287G85.4Confident87.6Confident9 Ų941.4 Ų41.49%0.09321%0.207CC..Hα-helixtrans-71-41.2173.500000112.4F284 F285 L290 R291F284-G287 PolarHBondContact O-N 3.34Å; F285-G287 PolarHBondContact O-N 3.35Å; G287-L290 PolarHBondContact O-N 2.83Å; G287-R291 PolarHBondContact O-N 2.86Å
288K89.3Confident88Confident74 Ų7438.9 Ų38.932%0.32219%0.192SC..Hα-helixtrans-63-46.5173.8-67.4-173.5-179.7-1750112D282 F284 F285 L290 R291 L292 W381 L385D282-K288 HydrophobicContact CB-CG 4.04Å; D282-K288 WeakPolarHBondContact O-CE 3.19Å; D282-K288 WeakPolarHBondContact O-CG 3.41Å; F284-K288 PolarHBondContact O-N 2.82Å; F285-K288 WeakPolarHBondContact O-CB 3.37Å; F285-K288 PolarHBondContact O-N 3.1Å; F285-K288 VanDerWaalsContact O-N 3.1Å; K288-L290 VanDerWaalsContact C-N 3.31Å; K288-L290 PolarHBondContact O-N 2.92Å; K288-R291 PolarHBondContact O-N 3.48Å; K288-L292 PolarHBondContact O-N 3.26Å; K288-W381 HydrophobicContact CB-CZ3 3.86Å; K288-W381 HydrophobicContact CG-CZ3 4.25Å; K288-L385 HydrophobicContact CB-CD2 4.03Å
289E92.3Very high88.5Confident13 Ų1338.9 Ų38.96%0.06119%0.192CC..Hα-helixtrans-53.7-48.7170.9166.6179.3167.700111Y201 H270 F285 R291 L292 R293 L385 I389Y201-E289 PolarHBondContact OH-OE1 2.85Å; H270-E289 IonicContact CE1-OE1 3.24Å; H270-E289 PolarHBondContact CE1-OE1 3.44Å; H270-E289 IonicContact NE2-OE1 2.82Å; F285-E289 HydrophobicContact CE1-CB 4.45Å; F285-E289 PolarHBondContact O-N 2.86Å; E289-R291 PolarHBondContact O-N 3.5Å; E289-L292 PolarHBondContact O-N 2.87Å; E289-R293 HydrophobicContact CG-CG 4.3Å; E289-R293 VanDerWaalsContact O-CB 3.29Å; E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 VanDerWaalsContact O-CG 3.24Å; E289-R293 WeakPolarHBondContact O-CG 3.48Å; E289-R293 PolarHBondContact O-N 2.79Å; E289-R293 WeakPolarHBondContact OE1-CD 3.41Å; E289-R293 IonicContact OE1-CZ 2.72Å; E289-R293 IonicContact OE1-NH1 3.65Å; E289-R293 PolarHBondContact OE1-NH1 3.35Å; E289-L385 HydrophobicContact CB-CD1 4.27Å; E289-I389 HydrophobicContact CB-CD1 4.13Å; E289-I389 HydrophobicContact CG-CD1 3.79Å
290L92.6Very high89.4Confident33 Ų3337.3 Ų37.317%0.17319%0.186CC..Hα-helixtrans-64.6-39.7-176.6-176.558000112.3N273 I274 P280 V286 G287 K288 R293 Q294N273-L290 HydrophobicContact CB-CD1 4.41Å; I274-L290 HydrophobicContact CG1-CD1 4.28Å; P280-L290 HydrophobicContact CB-CD2 4.07Å; P280-L290 HydrophobicContact CG-CB 4.48Å; P280-L290 HydrophobicContact CG-CD2 3.89Å; P280-L290 HydrophobicContact CG-CG 4.13Å; V286-L290 VanDerWaalsContact O-CB 3.32Å; V286-L290 WeakPolarHBondContact O-CB 3.45Å; V286-L290 PolarHBondContact O-N 3.21Å; G287-L290 PolarHBondContact O-N 2.83Å; K288-L290 VanDerWaalsContact C-N 3.31Å; K288-L290 PolarHBondContact O-N 2.92Å; L290-R293 PolarHBondContact O-N 2.77Å; L290-Q294 WeakPolarHBondContact O-CG 3.37Å; L290-Q294 PolarHBondContact O-N 3.39Å
291R92.2Very high90.2Very high45 Ų4536.3 Ų36.317%0.1718%0.18CC..Hα-helixtrans-64.2-51.8174.9-74.4-167.8641710.2112.2P280 D282 G287 K288 E289 R293 Q294 E295 W381P280-R291 HydrophobicContact CG-CG 3.94Å; D282-R291 WeakPolarHBondContact OD2-CD 3.07Å; D282-R291 IonicContact OD2-CZ 2.69Å; D282-R291 IonicContact OD2-NE 2.8Å; D282-R291 IonicContact OD2-NH1 2.69Å; D282-R291 PolarHBondContact OD2-NH1 3.36Å; G287-R291 PolarHBondContact O-N 2.86Å; K288-R291 PolarHBondContact O-N 3.48Å; E289-R291 PolarHBondContact O-N 3.5Å; R291-R293 PolarHBondContact O-N 2.91Å; R291-Q294 WeakPolarHBondContact O-CA 3.47Å; R291-Q294 WeakPolarHBondContact O-CB 3.04Å; R291-Q294 PolarHBondContact O-N 2.8Å; R291-E295 WeakPolarHBondContact O-CG 3.47Å; R291-E295 PolarHBondContact O-N 3.38Å; R291-W381 HydrophobicContact CB-CH2 3.69Å; R291-W381 HydrophobicContact CB-CZ2 4.07Å
292L95.4Very high91.3Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-58.9-36.3176.1176.458000112.1K288 E289 Y296 L338 W381 L385 L386 I389 L390K288-L292 PolarHBondContact O-N 3.26Å; E289-L292 PolarHBondContact O-N 2.87Å; L292-Y296 PolarHBondContact O-N 3.15Å; L292-L338 HydrophobicContact CD1-CD1 3.57Å; L292-W381 HydrophobicContact CB-CD2 4.17Å; L292-W381 HydrophobicContact CB-CE3 4.36Å; L292-W381 HydrophobicContact CB-CH2 4.45Å; L292-W381 HydrophobicContact CB-CZ2 4.2Å; L292-W381 HydrophobicContact CD1-CD2 4.29Å; L292-W381 HydrophobicContact CD1-CG 4.07Å; L292-W381 HydrophobicContact CD2-CD2 4.46Å; L292-W381 HydrophobicContact CD2-CG 4.42Å; L292-L385 HydrophobicContact CD2-CD2 3.87Å; L292-L385 HydrophobicContact CD2-CG 3.82Å; L292-L386 HydrophobicContact CD1-CD2 3.93Å; L292-L386 HydrophobicContact CD2-CD2 3.98Å; L292-L386 HydrophobicContact CD2-CG 4.24Å; L292-I389 HydrophobicContact CD2-CD1 4.16Å; L292-L390 HydrophobicContact CD1-CD1 4.16Å
293R95.6Very high92.5Very high6 Ų631 Ų312%0.02315%0.151CC..Hα-helixtrans-70-33.3174.1-73.8173.261.2-157.2-9.2112.9F200 Y201 H270 I274 E289 L290 R291 F297 I389F200-R293 HydrophobicContact CD1-CB 4.44Å; F200-R293 HydrophobicContact CD1-CG 3.8Å; F200-R293 HydrophobicContact CE1-CB 3.85Å; F200-R293 HydrophobicContact CE1-CG 3.72Å; F200-R293 HydrophobicContact CZ-CB 4.33Å; Y201-R293 PolarHBondContact OH-NH1 3.22Å; Y201-R293 VanDerWaalsContact OH-NH1 3.1Å; H270-R293 PolarHBondContact CE1-NH1 3.01Å; H270-R293 PolarHBondContact NE2-NH1 3.28Å; H270-R293 PolarHBondContact O-NH2 2.82Å; I274-R293 HydrophobicContact CD1-CB 4.3Å; I274-R293 HydrophobicContact CG1-CB 4.34Å; E289-R293 HydrophobicContact CG-CG 4.3Å; E289-R293 VanDerWaalsContact O-CB 3.29Å; E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 VanDerWaalsContact O-CG 3.24Å; E289-R293 WeakPolarHBondContact O-CG 3.48Å; E289-R293 PolarHBondContact O-N 2.79Å; E289-R293 WeakPolarHBondContact OE1-CD 3.41Å; E289-R293 IonicContact OE1-CZ 2.72Å; E289-R293 IonicContact OE1-NH1 3.65Å; E289-R293 PolarHBondContact OE1-NH1 3.35Å; L290-R293 PolarHBondContact O-N 2.77Å; R291-R293 PolarHBondContact O-N 2.91Å; R293-F297 WeakPolarHBondContact O-CB 3.38Å; R293-F297 PolarHBondContact O-N 3.27Å; R293-I389 HydrophobicContact CG-CD1 4.45Å; R293-I389 HydrophobicContact CG-CG2 3.91Å
294Q96.3Very high93.6Very high1 Ų128.3 Ų28.31%0.00514%0.135CC..Hα-helixtrans-63.7-48.9171.1-78.9173.6-8.100111.5L85 I157 I274 V277 L290 R291 Y296 F297 L298L85-Q294 HydrophobicContact CD2-CB 4.44Å; I157-Q294 HydrophobicContact CD1-CB 3.73Å; I157-Q294 HydrophobicContact CD1-CG 4Å; I157-Q294 WeakPolarHBondContact CD1-O 3.16Å; I274-Q294 HydrophobicContact CG2-CG 3.97Å; I274-Q294 WeakPolarHBondContact O-CG 3.25Å; I274-Q294 PolarHBondContact O-NE2 3.17Å; V277-Q294 PolarHBondContact O-NE2 3.23Å; L290-Q294 WeakPolarHBondContact O-CG 3.37Å; L290-Q294 PolarHBondContact O-N 3.39Å; R291-Q294 WeakPolarHBondContact O-CA 3.47Å; R291-Q294 WeakPolarHBondContact O-CB 3.04Å; R291-Q294 PolarHBondContact O-N 2.8Å; Q294-Y296 PolarHBondContact O-N 3.36Å; Q294-F297 PolarHBondContact O-N 2.86Å; Q294-L298 PolarHBondContact O-N 2.8Å
295E96.4Very high94.5Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-59-49.5179.5-69.1155.2-154.500111.1L85 R291 L298 V299 H335 L338 W381L85-E295 HydrophobicContact CD1-CG 4.29Å; R291-E295 WeakPolarHBondContact O-CG 3.47Å; R291-E295 PolarHBondContact O-N 3.38Å; E295-L298 PolarHBondContact O-N 2.68Å; E295-V299 PolarHBondContact O-N 3.36Å; E295-H335 WeakPolarHBondContact CB-O 3.32Å; E295-H335 HydrophobicContact CG-CB 4.21Å; E295-H335 WeakPolarHBondContact CG-O 3.26Å; E295-L338 HydrophobicContact CB-CD1 4.4Å; E295-W381 WeakPolarHBondContact OE1-CZ2 3.47Å; E295-W381 VanDerWaalsContact OE2-CE2 3.31Å; E295-W381 WeakPolarHBondContact OE2-CZ2 3.45Å; E295-W381 PolarHBondContact OE2-NE1 3.34Å
296Y98.4Very high95.4Very high4 Ų416.1 Ų16.12%0.0168%0.082CC..Hα-helixtrans-66.3-39.5176.8-172.1-106.5000113.5V198 N199 F200 W214 L292 Q294 L298 V299 A300 L338 E342 L390 H393V198-Y296 HydrophobicContact CG1-CD1 3.67Å; V198-Y296 HydrophobicContact CG1-CE1 3.52Å; N199-Y296 VanDerWaalsContact O-CE1 3.29Å; N199-Y296 WeakPolarHBondContact O-CE1 3.32Å; F200-Y296 HydrophobicContact CD1-CD1 4.17Å; F200-Y296 AromaticContact CE1-CD1 3.67Å; F200-Y296 HydrophobicContact CE1-CD1 3.67Å; F200-Y296 HydrophobicContact CE1-CG 4.41Å; F200-Y296 HydrophobicContact CZ-CD1 4.17Å; W214-Y296 HydrophobicContact CH2-CE1 4.06Å; W214-Y296 HydrophobicContact CZ3-CE1 4.46Å; W214-Y296 WeakPolarHBondContact CZ3-OH 3.46Å; L292-Y296 PolarHBondContact O-N 3.15Å; Q294-Y296 PolarHBondContact O-N 3.36Å; Y296-L298 VanDerWaalsContact C-N 3.35Å; Y296-L298 PolarHBondContact O-N 2.89Å; Y296-V299 HydrophobicContact CD2-CG2 4.1Å; Y296-V299 WeakPolarHBondContact O-CG2 3.02Å; Y296-V299 PolarHBondContact O-N 3.41Å; Y296-A300 HydrophobicContact CD1-CB 4.35Å; Y296-A300 HydrophobicContact CE1-CB 3.84Å; Y296-A300 HydrophobicContact CE2-CB 4.07Å; Y296-A300 VanDerWaalsContact O-CB 3.28Å; Y296-A300 WeakPolarHBondContact O-CB 3.46Å; Y296-A300 PolarHBondContact O-N 3.06Å; Y296-L338 HydrophobicContact CD2-CD1 4.48Å; Y296-E342 HydrophobicContact CE2-CB 4.2Å; Y296-E342 HydrophobicContact CE2-CG 4.25Å; Y296-E342 PolarHBondContact OH-OE2 3.48Å; Y296-L390 HydrophobicContact CD1-CD2 3.46Å; Y296-L390 VanDerWaalsContact CD1-CD2 3.46Å; Y296-L390 HydrophobicContact CD2-CD1 3.84Å; Y296-L390 HydrophobicContact CD2-CD2 3.79Å; Y296-L390 HydrophobicContact CD2-CG 4.49Å; Y296-L390 HydrophobicContact CE1-CD2 3.71Å; Y296-L390 HydrophobicContact CE2-CD2 4.04Å; Y296-L390 HydrophobicContact CG-CD1 3.84Å; Y296-L390 HydrophobicContact CG-CD2 3.49Å; Y296-L390 VanDerWaalsContact CG-CD2 3.49Å; Y296-L390 HydrophobicContact CG-CG 4.33Å; Y296-H393 AromaticContact CE2-CD2 3.84Å; Y296-H393 AromaticContact CE2-CE1 3.51Å; Y296-H393 AromaticContact CE2-NE2 3.25Å; Y296-H393 WeakPolarHBondContact CE2-NE2 3.43Å; Y296-H393 AromaticContact CZ-CE1 3.54Å; Y296-H393 AromaticContact CZ-NE2 3.62Å; Y296-H393 PolarHBondContact OH-CE1 3.43Å; Y296-H393 VanDerWaalsContact OH-CE1 3.25Å; Y296-H393 PolarHBondContact OH-NE2 3.26Å
297F98.5Very high96Very high0 Ų011.7 Ų11.70%06%0.055CC..Hα-helixtrans-58.4-44.7175.6178.3-104.2000112.5I157 V198 F200 V220 A222 W243 A245 I274 R293 Q294 A301I157-F297 HydrophobicContact CD1-CD1 4.2Å; I157-F297 HydrophobicContact CG1-CD1 4.34Å; V198-F297 HydrophobicContact CB-CD2 4.3Å; V198-F297 HydrophobicContact CG2-CD2 4.16Å; F200-F297 HydrophobicContact CZ-CB 4.19Å; V220-F297 HydrophobicContact CG1-CE2 4.2Å; A222-F297 HydrophobicContact CB-CD2 4.32Å; A222-F297 HydrophobicContact CB-CE2 3.5Å; A222-F297 VanDerWaalsContact CB-CE2 3.5Å; A222-F297 HydrophobicContact CB-CZ 3.62Å; W243-F297 HydrophobicContact CB-CD1 4.26Å; W243-F297 HydrophobicContact CB-CE1 3.48Å; W243-F297 VanDerWaalsContact CB-CE1 3.48Å; W243-F297 HydrophobicContact CB-CZ 3.98Å; A245-F297 VanDerWaalsContact CA-CZ 3.48Å; A245-F297 HydrophobicContact CB-CE1 4.27Å; A245-F297 HydrophobicContact CB-CE2 4.01Å; A245-F297 HydrophobicContact CB-CZ 3.73Å; I274-F297 HydrophobicContact CG2-CB 3.8Å; I274-F297 HydrophobicContact CG2-CD1 3.65Å; I274-F297 HydrophobicContact CG2-CD2 4.3Å; I274-F297 HydrophobicContact CG2-CE1 4.25Å; I274-F297 HydrophobicContact CG2-CG 3.67Å; R293-F297 WeakPolarHBondContact O-CB 3.38Å; R293-F297 PolarHBondContact O-N 3.27Å; Q294-F297 PolarHBondContact O-N 2.86Å; F297-A301 WeakPolarHBondContact O-CB 3.22Å; F297-A301 PolarHBondContact O-N 2.91Å
298L98.4Very high96.4Very high0 Ų014.3 Ų14.30%06%0.062CC..Hα-helixtrans-58.3-54.6174.9171.457.3000111L85 I157 Q294 E295 Y296 T302L85-L298 HydrophobicContact CD2-CB 4.46Å; L85-L298 HydrophobicContact CD2-CD2 3.92Å; L85-L298 HydrophobicContact CG-CD2 4.49Å; I157-L298 HydrophobicContact CD1-CB 4.41Å; I157-L298 HydrophobicContact CG1-CB 4.25Å; Q294-L298 PolarHBondContact O-N 2.8Å; E295-L298 PolarHBondContact O-N 2.68Å; Y296-L298 VanDerWaalsContact C-N 3.35Å; Y296-L298 PolarHBondContact O-N 2.89Å; L298-T302 WeakPolarHBondContact O-CB 3.39Å; L298-T302 PolarHBondContact O-N 3.5Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.39Å
299V98.8Very high96.5Very high0 Ų011.8 Ų11.80%05%0.05CC..Hα-helixtrans-72.4-41-170.5-56.30000112.7L83 E295 Y296 T302 L303 P336 L338 A339 E342L83-V299 HydrophobicContact CD2-CG1 4.49Å; E295-V299 PolarHBondContact O-N 3.36Å; Y296-V299 HydrophobicContact CD2-CG2 4.1Å; Y296-V299 WeakPolarHBondContact O-CG2 3.02Å; Y296-V299 PolarHBondContact O-N 3.41Å; V299-T302 PolarHBondContact O-N 3.24Å; V299-L303 WeakPolarHBondContact O-CB 3.36Å; V299-L303 WeakPolarHBondContact O-CG 3.35Å; V299-L303 PolarHBondContact O-N 2.82Å; V299-P336 HydrophobicContact CG1-CB 4.1Å; V299-P336 WeakPolarHBondContact CG1-O 3.31Å; V299-L338 HydrophobicContact CG2-CB 3.94Å; V299-A339 HydrophobicContact CB-CB 3.84Å; V299-A339 HydrophobicContact CG1-CB 3.77Å; V299-E342 HydrophobicContact CG2-CB 4.47Å
300A98.8Very high96.6Very high1 Ų111.5 Ų11.51%0.0085%0.049CC..Hα-helixtrans-69.7-37-177.100000112.8V198 Y296 Q304 E342V198-A300 HydrophobicContact CG1-CB 3.79Å; V198-A300 HydrophobicContact CG2-CB 4.06Å; Y296-A300 HydrophobicContact CD1-CB 4.35Å; Y296-A300 HydrophobicContact CE1-CB 3.84Å; Y296-A300 HydrophobicContact CE2-CB 4.07Å; Y296-A300 VanDerWaalsContact O-CB 3.28Å; Y296-A300 WeakPolarHBondContact O-CB 3.46Å; Y296-A300 PolarHBondContact O-N 3.06Å; A300-Q304 VanDerWaalsContact O-CG 3.29Å; A300-Q304 WeakPolarHBondContact O-CG 3.24Å; A300-Q304 PolarHBondContact O-N 3.08Å; A300-Q304 PolarHBondContact O-NE2 3.16Å; A300-E342 HydrophobicContact CB-CG 4.24Å
301A98.8Very high96.4Very high0 Ų015.6 Ų15.60%06%0.062CC..Hα-helixtrans-70-42172.500000111.5V198 A222 W243 F297 Q304 D305V198-A301 HydrophobicContact CG2-CB 4.12Å; A222-A301 HydrophobicContact CB-CB 3.35Å; W243-A301 HydrophobicContact CD2-CB 3.56Å; W243-A301 VanDerWaalsContact CE2-CB 3.48Å; W243-A301 HydrophobicContact CE3-CB 3.91Å; W243-A301 HydrophobicContact CG-CB 3.98Å; W243-A301 HydrophobicContact CH2-CB 4.13Å; W243-A301 VanDerWaalsContact CZ2-C 3.41Å; W243-A301 HydrophobicContact CZ2-CB 3.81Å; W243-A301 VanDerWaalsContact CZ2-O 3.26Å; W243-A301 WeakPolarHBondContact CZ2-O 3.4Å; W243-A301 HydrophobicContact CZ3-CB 4.16Å; F297-A301 WeakPolarHBondContact O-CB 3.22Å; F297-A301 PolarHBondContact O-N 2.91Å; A301-Q304 PolarHBondContact O-N 2.93Å; A301-D305 PolarHBondContact O-N 2.98Å; A301-D305 VanDerWaalsContact O-N 3.16Å
302T98.8Very high95.8Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-63.3-46.5179.7-61.20000112.4L83 Y155 W243 L298 V299 Q304 D305 I306L83-T302 HydrophobicContact CD1-CG2 3.79Å; L83-T302 HydrophobicContact CD2-CG2 3.98Å; L83-T302 HydrophobicContact CG-CG2 3.93Å; Y155-T302 HydrophobicContact CD1-CG2 3.5Å; Y155-T302 VanDerWaalsContact CD1-CG2 3.5Å; Y155-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y155-T302 WeakPolarHBondContact CD1-OG1 3.31Å; Y155-T302 HydrophobicContact CD2-CG2 3.88Å; Y155-T302 HydrophobicContact CE1-CG2 3.95Å; Y155-T302 HydrophobicContact CE2-CG2 4.33Å; Y155-T302 HydrophobicContact CG-CG2 3.43Å; Y155-T302 VanDerWaalsContact CG-CG2 3.43Å; W243-T302 PolarHBondContact NE1-OG1 2.85Å; L298-T302 WeakPolarHBondContact O-CB 3.39Å; L298-T302 PolarHBondContact O-N 3.5Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.39Å; V299-T302 PolarHBondContact O-N 3.24Å; T302-Q304 PolarHBondContact O-N 3.14Å; T302-D305 PolarHBondContact O-N 2.92Å; T302-I306 HydrophobicContact CG2-CD1 3.67Å; T302-I306 HydrophobicContact CG2-CG1 4.27Å; T302-I306 VanDerWaalsContact O-CG1 3.29Å; T302-I306 WeakPolarHBondContact O-CG1 3.45Å; T302-I306 PolarHBondContact O-N 3.05Å
303L98.9Very high94.5Very high0 Ų017.3 Ų17.30%08%0.08CC..Hα-helixtrans-66.1-38.7-179.6-72.9168.1000112.3V299 D305 I306 I307 I329 A339 E342 L343 I346 F366V299-L303 WeakPolarHBondContact O-CB 3.36Å; V299-L303 WeakPolarHBondContact O-CG 3.35Å; V299-L303 PolarHBondContact O-N 2.82Å; L303-D305 VanDerWaalsContact C-N 3.32Å; L303-D305 PolarHBondContact O-N 3.34Å; L303-I306 PolarHBondContact O-N 2.81Å; L303-I307 WeakPolarHBondContact O-CB 3.49Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.48Å; L303-I307 PolarHBondContact O-N 2.99Å; L303-I329 HydrophobicContact CD2-CD1 3.67Å; L303-A339 HydrophobicContact CD1-CB 4.13Å; L303-A339 WeakPolarHBondContact CD1-O 3.46Å; L303-E342 HydrophobicContact CD1-CB 3.83Å; L303-E342 HydrophobicContact CD1-CG 3.63Å; L303-L343 HydrophobicContact CD1-CB 4.12Å; L303-L343 HydrophobicContact CD2-CB 4.29Å; L303-L343 HydrophobicContact CD2-CD1 4.41Å; L303-I346 HydrophobicContact CB-CD1 4.01Å; L303-F366 HydrophobicContact CD2-CZ 4.36Å
304Q98.2Very high92.8Very high52 Ų5220.1 Ų20.124%0.24310%0.095CC..Hα-helixtrans-60.8-39.5172.8-73.3177.782.200112.3Y196 P197 A300 A301 T302 R308Y196-Q304 HydrophobicContact CD1-CB 3.5Å; Y196-Q304 HydrophobicContact CD1-CG 4.22Å; Y196-Q304 HydrophobicContact CD2-CB 4.44Å; Y196-Q304 HydrophobicContact CE1-CB 3.65Å; Y196-Q304 HydrophobicContact CG-CB 3.91Å; Y196-Q304 PolarHBondContact OH-O 2.9Å; P197-Q304 PolarHBondContact O-NE2 3.33Å; A300-Q304 VanDerWaalsContact O-CG 3.29Å; A300-Q304 WeakPolarHBondContact O-CG 3.24Å; A300-Q304 PolarHBondContact O-N 3.08Å; A300-Q304 PolarHBondContact O-NE2 3.16Å; A301-Q304 PolarHBondContact O-N 2.93Å; T302-Q304 PolarHBondContact O-N 3.14Å; Q304-R308 WeakPolarHBondContact O-CB 3.49Å; Q304-R308 PolarHBondContact O-N 2.65Å
305D98.3Very high90.8Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-73.9-37.5177.1-161.237.8000113.2Y155 Y196 R241 W243 A301 T302 L303 R308 R309Y155-D305 HydrophobicContact CE1-CB 4.43Å; Y155-D305 PolarHBondContact OH-OD2 3.16Å; Y196-D305 HydrophobicContact CE2-CB 3.74Å; Y196-D305 WeakPolarHBondContact OH-CA 3.28Å; Y196-D305 PolarHBondContact OH-OD1 3.39Å; R241-D305 VanDerWaalsContact CD-OD2 3.31Å; R241-D305 WeakPolarHBondContact CD-OD2 3.29Å; R241-D305 IonicContact CZ-OD2 3.39Å; R241-D305 IonicContact NE-OD2 3.84Å; R241-D305 IonicContact NH1-OD1 3.84Å; R241-D305 PolarHBondContact NH1-OD1 3.5Å; R241-D305 IonicContact NH1-OD2 2.9Å; R241-D305 PolarHBondContact NH1-OD2 2.92Å; W243-D305 HydrophobicContact CH2-CB 3.94Å; W243-D305 HydrophobicContact CZ2-CB 3.98Å; A301-D305 PolarHBondContact O-N 2.98Å; A301-D305 VanDerWaalsContact O-N 3.16Å; T302-D305 PolarHBondContact O-N 2.92Å; L303-D305 VanDerWaalsContact C-N 3.32Å; L303-D305 PolarHBondContact O-N 3.34Å; D305-R308 PolarHBondContact O-N 3.14Å; D305-R308 IonicContact OD1-CZ 2.64Å; D305-R308 VanDerWaalsContact OD1-CZ 3.28Å; D305-R308 IonicContact OD1-NE 3.24Å; D305-R308 PolarHBondContact OD1-NE 3.11Å; D305-R308 IonicContact OD1-NH2 3.79Å; D305-R308 PolarHBondContact OD1-NH2 3.3Å; D305-R309 VanDerWaalsContact CG-NE 3.3Å; D305-R309 WeakPolarHBondContact O-CB 3.23Å; D305-R309 VanDerWaalsContact O-CD 3.31Å; D305-R309 WeakPolarHBondContact O-CD 3.35Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.32Å; D305-R309 IonicContact OD1-NE 2.72Å; D305-R309 PolarHBondContact OD1-NE 3.47Å; D305-R309 IonicContact OD1-NH2 2.93Å; D305-R309 IonicContact OD2-CZ 2.72Å; D305-R309 VanDerWaalsContact OD2-CZ 3.24Å; D305-R309 IonicContact OD2-NE 3.26Å; D305-R309 PolarHBondContact OD2-NE 3.32Å; D305-R309 IonicContact OD2-NH2 3.72Å; D305-R309 PolarHBondContact OD2-NH2 3.32Å
306I97.9Very high88.7Confident0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-60.6-48.2172.4-69.8171.1000110.2Y81 T302 L303 R308 R309 F310 F323 V327 I329Y81-I306 HydrophobicContact CD1-CD1 3.83Å; Y81-I306 HydrophobicContact CD1-CG1 3.7Å; Y81-I306 HydrophobicContact CD2-CD1 3.96Å; Y81-I306 HydrophobicContact CD2-CG1 4.12Å; Y81-I306 HydrophobicContact CD2-CG2 4.28Å; Y81-I306 HydrophobicContact CE1-CD1 4.39Å; Y81-I306 HydrophobicContact CE1-CG1 3.77Å; Y81-I306 HydrophobicContact CE2-CD1 4.49Å; Y81-I306 HydrophobicContact CE2-CG1 4.16Å; Y81-I306 HydrophobicContact CE2-CG2 3.96Å; Y81-I306 HydrophobicContact CG-CD1 3.57Å; Y81-I306 HydrophobicContact CG-CG1 3.87Å; T302-I306 HydrophobicContact CG2-CD1 3.67Å; T302-I306 HydrophobicContact CG2-CG1 4.27Å; T302-I306 VanDerWaalsContact O-CG1 3.29Å; T302-I306 WeakPolarHBondContact O-CG1 3.45Å; T302-I306 PolarHBondContact O-N 3.05Å; L303-I306 PolarHBondContact O-N 2.81Å; I306-R308 PolarHBondContact O-N 2.74Å; I306-R309 PolarHBondContact O-N 3.35Å; I306-R309 VanDerWaalsContact O-N 3.16Å; I306-F310 WeakPolarHBondContact O-CB 3.44Å; I306-F310 PolarHBondContact O-N 3.23Å; I306-F323 HydrophobicContact CG2-CE2 4.14Å; I306-F323 HydrophobicContact CG2-CZ 3.8Å; I306-V327 HydrophobicContact CG2-CG1 3.73Å; I306-V327 HydrophobicContact CG2-CG2 4.09Å; I306-I329 HydrophobicContact CD1-CD1 3.9Å; I306-I329 HydrophobicContact CD1-CG1 4.16Å
307I96.1Very high87.1Confident7 Ų741.2 Ų41.24%0.03621%0.205CC..Hα-helixtrans-66.5-38.3-179.7-69.5164000111.1L303 R309 F310 R311 F320 F323 L343 I346L303-I307 WeakPolarHBondContact O-CB 3.49Å; L303-I307 VanDerWaalsContact O-CG1 3.32Å; L303-I307 WeakPolarHBondContact O-CG1 3.48Å; L303-I307 PolarHBondContact O-N 2.99Å; I307-R309 PolarHBondContact O-N 2.81Å; I307-F310 PolarHBondContact O-N 3.32Å; I307-R311 WeakPolarHBondContact O-CB 3.29Å; I307-R311 WeakPolarHBondContact O-CG 3.49Å; I307-R311 PolarHBondContact O-N 3.4Å; I307-F320 HydrophobicContact CG1-CE1 4.29Å; I307-F320 HydrophobicContact CG2-CE1 4.2Å; I307-F320 HydrophobicContact CG2-CZ 4.1Å; I307-F323 HydrophobicContact CG1-CE2 3.87Å; I307-F323 HydrophobicContact CG1-CZ 3.94Å; I307-L343 HydrophobicContact CD1-CD1 4.19Å; I307-I346 HydrophobicContact CD1-CB 4.48Å; I307-I346 HydrophobicContact CD1-CD1 4.04Å; I307-I346 HydrophobicContact CD1-CG2 3.75Å
308R93.9Very high86.4Confident64 Ų6443.3 Ų43.324%0.24221%0.213CC..Hα-helixtrans-58.6-45.7170.4-175.6-168.259.885.70.2111.5Y194 Y196 Q304 D305 I306 R311 S312Y194-R308 VanDerWaalsContact CD1-CZ 3.47Å; Y196-R308 WeakPolarHBondContact OH-CB 3.45Å; Y196-R308 WeakPolarHBondContact OH-CD 3.29Å; Y196-R308 PolarHBondContact OH-NE 2.9Å; Q304-R308 WeakPolarHBondContact O-CB 3.49Å; Q304-R308 PolarHBondContact O-N 2.65Å; D305-R308 PolarHBondContact O-N 3.14Å; D305-R308 IonicContact OD1-CZ 2.64Å; D305-R308 VanDerWaalsContact OD1-CZ 3.28Å; D305-R308 IonicContact OD1-NE 3.24Å; D305-R308 PolarHBondContact OD1-NE 3.11Å; D305-R308 IonicContact OD1-NH2 3.79Å; D305-R308 PolarHBondContact OD1-NH2 3.3Å; I306-R308 PolarHBondContact O-N 2.74Å; R308-R311 PolarHBondContact O-N 3.01Å; R308-S312 WeakPolarHBondContact O-CB 3.24Å; R308-S312 PolarHBondContact O-N 2.88Å; R308-S312 PolarHBondContact O-OG 3.45Å
309R92.6Very high86Confident22 Ų2245.9 Ų45.98%0.08323%0.231CC..Hα-helixtrans-70.5-30-179.2-69.8163.5-173-87.17.7113.8R79 Y153 Y155 D305 I306 I307 S312R79-R309 PolarHBondContact NH1-O 2.87Å; Y153-R309 PolarHBondContact OH-NH1 2.95Å; Y155-R309 PolarHBondContact OH-NE 3.09Å; D305-R309 VanDerWaalsContact CG-NE 3.3Å; D305-R309 WeakPolarHBondContact O-CB 3.23Å; D305-R309 VanDerWaalsContact O-CD 3.31Å; D305-R309 WeakPolarHBondContact O-CD 3.35Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.32Å; D305-R309 IonicContact OD1-NE 2.72Å; D305-R309 PolarHBondContact OD1-NE 3.47Å; D305-R309 IonicContact OD1-NH2 2.93Å; D305-R309 IonicContact OD2-CZ 2.72Å; D305-R309 VanDerWaalsContact OD2-CZ 3.24Å; D305-R309 IonicContact OD2-NE 3.26Å; D305-R309 PolarHBondContact OD2-NE 3.32Å; D305-R309 IonicContact OD2-NH2 3.72Å; D305-R309 PolarHBondContact OD2-NH2 3.32Å; I306-R309 PolarHBondContact O-N 3.35Å; I306-R309 VanDerWaalsContact O-N 3.16Å; I307-R309 PolarHBondContact O-N 2.81Å; R309-S312 WeakPolarHBondContact CA-OG 3.27Å; R309-S312 PolarHBondContact O-OG 3.4Å
310F93Very high85.8Confident6 Ų646.6 Ų46.63%0.02623%0.234CC..Hα-helixtrans-67.2-44.2171.6173.5-103.7000110.6I306 I307 R318 S319 F320 E322 F323 K326 V327I306-F310 WeakPolarHBondContact O-CB 3.44Å; I306-F310 PolarHBondContact O-N 3.23Å; I307-F310 PolarHBondContact O-N 3.32Å; F310-R318 HydrophobicContact CE1-CB 4.03Å; F310-R318 HydrophobicContact CZ-CB 3.91Å; F310-S319 WeakPolarHBondContact CZ-O 3.1Å; F310-F320 HydrophobicContact CE1-CD1 4.39Å; F310-E322 HydrophobicContact CE2-CB 4.36Å; F310-E322 HydrophobicContact CZ-CB 4.26Å; F310-F323 HydrophobicContact CB-CD2 4.25Å; F310-F323 HydrophobicContact CB-CE2 4.11Å; F310-F323 AromaticContact CD1-CD2 3.83Å; F310-F323 HydrophobicContact CD1-CD2 3.83Å; F310-F323 HydrophobicContact CD1-CE2 4.32Å; F310-F323 AromaticContact CD2-CD2 3.86Å; F310-F323 HydrophobicContact CD2-CD2 3.86Å; F310-F323 HydrophobicContact CE1-CD2 4.11Å; F310-F323 HydrophobicContact CE2-CB 4.39Å; F310-F323 HydrophobicContact CE2-CD2 4.14Å; F310-F323 AromaticContact CG-CD2 3.71Å; F310-F323 HydrophobicContact CG-CD2 3.71Å; F310-F323 HydrophobicContact CG-CE2 4.07Å; F310-F323 HydrophobicContact CZ-CB 4.32Å; F310-F323 HydrophobicContact CZ-CD2 4.26Å; F310-K326 HydrophobicContact CD2-CB 4.01Å; F310-K326 HydrophobicContact CE2-CB 3.94Å; F310-K326 HydrophobicContact CE2-CG 4.28Å; F310-V327 HydrophobicContact CD2-CG2 4.27Å
311R89.2Confident85.5Confident119 Ų11950 Ų5045%0.44925%0.252SS..Hα-helixtrans-69.9-38176.9-73.3172.6156.2153-3.6113.8I307 R308 N313 E351I307-R311 WeakPolarHBondContact O-CB 3.29Å; I307-R311 WeakPolarHBondContact O-CG 3.49Å; I307-R311 PolarHBondContact O-N 3.4Å; R308-R311 PolarHBondContact O-N 3.01Å; R311-N313 PolarHBondContact O-N 2.91Å; R311-E351 IonicContact CZ-OE1 2.76Å; R311-E351 VanDerWaalsContact CZ-OE1 3.24Å; R311-E351 IonicContact CZ-OE2 3.63Å; R311-E351 IonicContact NH1-OE1 3.32Å; R311-E351 PolarHBondContact NH1-OE1 2.76Å; R311-E351 IonicContact NH1-OE2 2.74Å; R311-E351 IonicContact NH2-OE1 3.7Å; R311-E351 PolarHBondContact NH2-OE1 3.42Å; R311-E351 IonicContact NH2-OE2 3.04Å; R311-E351 PolarHBondContact NH2-OE2 3.25Å
312S80.4Confident85.2Confident62 Ų6253.9 Ų53.943%0.43427%0.27SS..THydrogen-bonded Turntrans-73-10-171.367.10000115.5R308 R309 D314R308-S312 WeakPolarHBondContact O-CB 3.24Å; R308-S312 PolarHBondContact O-N 2.88Å; R308-S312 PolarHBondContact O-OG 3.45Å; R309-S312 WeakPolarHBondContact CA-OG 3.27Å; R309-S312 PolarHBondContact O-OG 3.4Å; S312-D314 VanDerWaalsContact C-N 3.3Å
313N67.8Low85.1Confident20 Ų2053.9 Ų53.911%0.10727%0.27CS..THydrogen-bonded Turntrans-83.91.9-178.3-91.434.3000113.4D76 R79 R311D76-N313 PolarHBondContact OD1-ND2 3.03Å; R79-N313 PolarHBondContact NH1-ND2 3.47Å; R79-N313 PolarHBondContact NH1-OD1 2.99Å; R79-N313 PolarHBondContact NH2-ND2 3.04Å; R79-N313 PolarHBondContact NH2-OD1 2.98Å; R311-N313 PolarHBondContact O-N 2.91Å
314D59.7Low85.1Confident65 Ų6555 Ų5535%0.34828%0.277SS..  trans-140.8156.9-173-136.8-58.9000114.8S312 H316 R318S312-D314 VanDerWaalsContact C-N 3.3Å; D314-H316 WeakPolarHBondContact CB-O 3.23Å; D314-H316 IonicContact OD1-CG 2.79Å; D314-H316 PolarHBondContact OD1-N 2.83Å; D314-H316 IonicContact OD1-ND1 3.63Å; D314-H316 PolarHBondContact OD1-ND1 3.47Å; D314-R318 HydrophobicContact CB-CG 4.03Å; D314-R318 IonicContact OD2-CZ 3.97Å; D314-R318 VanDerWaalsContact OD2-CZ 3.31Å; D314-R318 IonicContact OD2-NE 3.31Å; D314-R318 PolarHBondContact OD2-NE 3.01Å; D314-R318 IonicContact OD2-NH2 3.74Å; D314-R318 PolarHBondContact OD2-NH2 2.32Å
315S53.7Low84.9Confident106 Ų10659.1 Ų59.174%0.74129%0.294SS*.SBendtrans-99.4-5.9166.448.60000112.9
316H53.2Low84.8Confident140 Ų14061.6 Ų61.665%0.64831%0.305SS*.SBendtrans-115.2140.7175.1-44.983.8000109.3D314 R318D314-H316 WeakPolarHBondContact CB-O 3.23Å; D314-H316 IonicContact OD1-CG 2.79Å; D314-H316 PolarHBondContact OD1-N 2.83Å; D314-H316 IonicContact OD1-ND1 3.63Å; D314-H316 PolarHBondContact OD1-ND1 3.47Å; H316-R318 PolarHBondContact O-N 3.21Å
317H65.2Low84.8Confident201 Ų20161.7 Ų61.793%0.93131%0.306SS*.  trans-69.690.9-172.7-58.3-75.6000112.4S319H317-S319 PolarHBondContact O-N 3.47Å
318R82.5Confident85Confident45 Ų4561.4 Ų61.417%0.1730%0.304CS..  trans-54.7128.7175.3-67.1-176-177.7-167.7-7111.2D76 F310 D314 H316D76-R318 VanDerWaalsContact CG-NH1 3.33Å; D76-R318 IonicContact OD1-CZ 2.67Å; D76-R318 IonicContact OD1-NH1 3.39Å; D76-R318 PolarHBondContact OD1-NH1 3.1Å; D76-R318 IonicContact OD1-NH2 3.23Å; D76-R318 IonicContact OD2-CZ 2.88Å; D76-R318 VanDerWaalsContact OD2-CZ 3.23Å; D76-R318 IonicContact OD2-NH1 2.79Å; D76-R318 PolarHBondContact OD2-NH1 3.08Å; D76-R318 IonicContact OD2-NH2 3.75Å; D76-R318 PolarHBondContact OD2-NH2 2.63Å; F310-R318 HydrophobicContact CE1-CB 4.03Å; F310-R318 HydrophobicContact CZ-CB 3.91Å; D314-R318 HydrophobicContact CB-CG 4.03Å; D314-R318 IonicContact OD2-CZ 3.97Å; D314-R318 VanDerWaalsContact OD2-CZ 3.31Å; D314-R318 IonicContact OD2-NE 3.31Å; D314-R318 PolarHBondContact OD2-NE 3.01Å; D314-R318 IonicContact OD2-NH2 3.74Å; D314-R318 PolarHBondContact OD2-NH2 2.32Å; H316-R318 PolarHBondContact O-N 3.21Å
319S90Very high85.2Confident54 Ų5458.3 Ų58.338%0.37829%0.292SS..  trans-73.4147.9171.8-173.60000110.9F310 H317 D321 E322F310-S319 WeakPolarHBondContact CZ-O 3.1Å; H317-S319 PolarHBondContact O-N 3.47Å; S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 VanDerWaalsContact O-N 3.08Å; S319-D321 PolarHBondContact OG-N 2.94Å; S319-D321 PolarHBondContact OG-OD2 2.63Å; S319-E322 PolarHBondContact O-N 2.93Å
320F94Very high85.5Confident15 Ų1557.3 Ų57.37%0.06629%0.288CS..G310 helixtrans-61.7-11168.6-70.9-83000113.3I307 F310 E322 F323 L347 E351 L353 I361I307-F320 HydrophobicContact CG1-CE1 4.29Å; I307-F320 HydrophobicContact CG2-CE1 4.2Å; I307-F320 HydrophobicContact CG2-CZ 4.1Å; F310-F320 HydrophobicContact CE1-CD1 4.39Å; F320-E322 PolarHBondContact O-N 2.91Å; F320-E322 VanDerWaalsContact O-N 3.13Å; F320-F323 HydrophobicContact CB-CB 4.47Å; F320-F323 HydrophobicContact CD1-CB 4.23Å; F320-F323 AromaticContact CD1-CD2 3.95Å; F320-F323 HydrophobicContact CD1-CD2 3.95Å; F320-F323 HydrophobicContact CD1-CG 4.17Å; F320-F323 HydrophobicContact CE1-CD2 4.26Å; F320-F323 HydrophobicContact CE1-CE2 4.43Å; F320-F323 WeakPolarHBondContact O-CB 3.34Å; F320-F323 PolarHBondContact O-N 2.74Å; F320-L347 HydrophobicContact CB-CD2 4.2Å; F320-L347 HydrophobicContact CD1-CD2 3.59Å; F320-L347 HydrophobicContact CD2-CD2 4.22Å; F320-L347 HydrophobicContact CE1-CD2 3.9Å; F320-L347 HydrophobicContact CE2-CD2 4.49Å; F320-L347 HydrophobicContact CG-CD2 3.76Å; F320-L347 HydrophobicContact CZ-CD2 4.34Å; F320-E351 HydrophobicContact CE2-CB 4.11Å; F320-E351 HydrophobicContact CE2-CG 3.64Å; F320-E351 HydrophobicContact CZ-CG 3.81Å; F320-L353 HydrophobicContact CB-CD1 4.28Å; F320-I361 HydrophobicContact CB-CD1 3.96Å
321D92.9Very high85.7Confident73 Ų7357 Ų5739%0.3929%0.287SS..G310 helixtrans-59.5-13.9165.7-62.4-64.8000114.1S319 K325 K357S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 VanDerWaalsContact O-N 3.08Å; S319-D321 PolarHBondContact OG-N 2.94Å; S319-D321 PolarHBondContact OG-OD2 2.63Å; D321-K325 PolarHBondContact O-NZ 2.95Å; D321-K357 WeakPolarHBondContact OD1-CE 3.42Å; D321-K357 IonicContact OD1-NZ 2.72Å; D321-K357 PolarHBondContact OD1-NZ 3.14Å; D321-K357 IonicContact OD2-NZ 2.75Å; D321-K357 PolarHBondContact OD2-NZ 3.46Å
322E93.8Very high86.1Confident80 Ų8051.3 Ų51.337%0.37427%0.266SS..G310 helixtrans-101.7-6.8172.4-56.2-161.7135.900113.5F310 S319 F320 K325 K326F310-E322 HydrophobicContact CE2-CB 4.36Å; F310-E322 HydrophobicContact CZ-CB 4.26Å; S319-E322 PolarHBondContact O-N 2.93Å; F320-E322 PolarHBondContact O-N 2.91Å; F320-E322 VanDerWaalsContact O-N 3.13Å; E322-K325 CarbonylContact O-C 3.6Å; E322-K325 WeakPolarHBondContact O-CA 3.23Å; E322-K325 WeakPolarHBondContact O-CB 3.37Å; E322-K325 PolarHBondContact O-N 3.21Å; E322-K326 PolarHBondContact O-N 2.95Å
323F96.6Very high86.7Confident0 Ų049.2 Ų49.20%025%0.25CC..Hα-helixtrans-58.6-49.2-173.6-164.6-103.7000112I306 I307 F310 F320 K325 K326 V327 L343 I361 T365I306-F323 HydrophobicContact CG2-CE2 4.14Å; I306-F323 HydrophobicContact CG2-CZ 3.8Å; I307-F323 HydrophobicContact CG1-CE2 3.87Å; I307-F323 HydrophobicContact CG1-CZ 3.94Å; F310-F323 HydrophobicContact CB-CD2 4.25Å; F310-F323 HydrophobicContact CB-CE2 4.11Å; F310-F323 AromaticContact CD1-CD2 3.83Å; F310-F323 HydrophobicContact CD1-CD2 3.83Å; F310-F323 HydrophobicContact CD1-CE2 4.32Å; F310-F323 AromaticContact CD2-CD2 3.86Å; F310-F323 HydrophobicContact CD2-CD2 3.86Å; F310-F323 HydrophobicContact CE1-CD2 4.11Å; F310-F323 HydrophobicContact CE2-CB 4.39Å; F310-F323 HydrophobicContact CE2-CD2 4.14Å; F310-F323 AromaticContact CG-CD2 3.71Å; F310-F323 HydrophobicContact CG-CD2 3.71Å; F310-F323 HydrophobicContact CG-CE2 4.07Å; F310-F323 HydrophobicContact CZ-CB 4.32Å; F310-F323 HydrophobicContact CZ-CD2 4.26Å; F320-F323 HydrophobicContact CB-CB 4.47Å; F320-F323 HydrophobicContact CD1-CB 4.23Å; F320-F323 AromaticContact CD1-CD2 3.95Å; F320-F323 HydrophobicContact CD1-CD2 3.95Å; F320-F323 HydrophobicContact CD1-CG 4.17Å; F320-F323 HydrophobicContact CE1-CD2 4.26Å; F320-F323 HydrophobicContact CE1-CE2 4.43Å; F320-F323 WeakPolarHBondContact O-CB 3.34Å; F320-F323 PolarHBondContact O-N 2.74Å; F323-K325 PolarHBondContact O-N 3.04Å; F323-K325 VanDerWaalsContact O-N 3.1Å; F323-K326 PolarHBondContact O-N 2.76Å; F323-V327 HydrophobicContact CD1-CB 4.3Å; F323-V327 HydrophobicContact CD1-CG2 4.46Å; F323-V327 HydrophobicContact CD2-CG2 3.82Å; F323-V327 HydrophobicContact CE1-CB 4.25Å; F323-V327 HydrophobicContact CE1-CG1 4.05Å; F323-V327 HydrophobicContact CE1-CG2 4.39Å; F323-V327 HydrophobicContact CE2-CB 4.46Å; F323-V327 HydrophobicContact CE2-CG2 3.73Å; F323-V327 HydrophobicContact CG-CB 4.44Å; F323-V327 HydrophobicContact CG-CG2 4.2Å; F323-V327 HydrophobicContact CZ-CB 4.34Å; F323-V327 HydrophobicContact CZ-CG1 4.07Å; F323-V327 HydrophobicContact CZ-CG2 4.03Å; F323-V327 WeakPolarHBondContact O-CA 3.44Å; F323-V327 VanDerWaalsContact O-CB 3.28Å; F323-V327 WeakPolarHBondContact O-CB 3.4Å; F323-V327 PolarHBondContact O-N 3.46Å; F323-L343 HydrophobicContact CE1-CD1 4.08Å; F323-L343 HydrophobicContact CE1-CD2 3.95Å; F323-L343 HydrophobicContact CZ-CD1 4.38Å; F323-I361 HydrophobicContact CB-CG2 4.09Å; F323-I361 HydrophobicContact CD1-CG2 4.15Å; F323-T365 HydrophobicContact CD1-CG2 4.18Å; F323-T365 HydrophobicContact CE1-CG2 3.95Å
324P97.6Very high87.9Confident23 Ų2348.4 Ų48.415%0.14925%0.245CC..Hα-helixtrans-67.1-15.1177.1-18.433.4000114.1K78 I361 N364K78-P324 WeakPolarHBondContact CE-O 3.18Å; K78-P324 PolarHBondContact NZ-O 2.86Å; P324-I361 HydrophobicContact CG-CG2 4.34Å; P324-N364 HydrophobicContact CB-CB 3.79Å; P324-N364 HydrophobicContact CG-CB 4.05Å
325K95.7Very high89.4Confident139 Ų13945.9 Ų45.960%0.60423%0.231SC*.Hα-helixtrans-88.7-21.2177.6-53.6172.3-170148.70111.9K78 D321 E322 F323K78-K325 WeakPolarHBondContact CB-O 3.47Å; K78-K325 WeakPolarHBondContact CD-O 3.27Å; K78-K325 WeakPolarHBondContact CG-O 3.12Å; D321-K325 PolarHBondContact O-NZ 2.95Å; E322-K325 CarbonylContact O-C 3.6Å; E322-K325 WeakPolarHBondContact O-CA 3.23Å; E322-K325 WeakPolarHBondContact O-CB 3.37Å; E322-K325 PolarHBondContact O-N 3.21Å; F323-K325 PolarHBondContact O-N 3.04Å; F323-K325 VanDerWaalsContact O-N 3.1Å
326K95.4Very high91.4Very high53 Ų5340.8 Ų40.823%0.2320%0.196CC..Hα-helixtrans-114.9-13.1-177.9-67.3-74.9172.7165.40113.8D76 R79 F310 E322 F323D76-K326 VanDerWaalsContact CG-NZ 3.32Å; D76-K326 PolarHBondContact O-NZ 2.89Å; D76-K326 IonicContact OD1-NZ 2.77Å; D76-K326 IonicContact OD2-NZ 3.66Å; D76-K326 PolarHBondContact OD2-NZ 3.35Å; R79-K326 PolarHBondContact N-O 2.95Å; F310-K326 HydrophobicContact CD2-CB 4.01Å; F310-K326 HydrophobicContact CE2-CB 3.94Å; F310-K326 HydrophobicContact CE2-CG 4.28Å; E322-K326 PolarHBondContact O-N 2.95Å; F323-K326 PolarHBondContact O-N 2.76Å
327V98.1Very high93.6Very high2 Ų234.1 Ų34.11%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-130.3132.5-178.2-178.30000108.8K78 Y81 I306 F310 F323 I329 T365K78-V327 VanDerWaalsContact CE-C 3.46Å; K78-V327 WeakPolarHBondContact CE-O 3.35Å; Y81-V327 HydrophobicContact CD2-CG1 3.69Å; Y81-V327 HydrophobicContact CE2-CB 4.44Å; Y81-V327 HydrophobicContact CE2-CG1 3.86Å; Y81-V327 HydrophobicContact CE2-CG2 4.33Å; I306-V327 HydrophobicContact CG2-CG1 3.73Å; I306-V327 HydrophobicContact CG2-CG2 4.09Å; F310-V327 HydrophobicContact CD2-CG2 4.27Å; F323-V327 HydrophobicContact CD1-CB 4.3Å; F323-V327 HydrophobicContact CD1-CG2 4.46Å; F323-V327 HydrophobicContact CD2-CG2 3.82Å; F323-V327 HydrophobicContact CE1-CB 4.25Å; F323-V327 HydrophobicContact CE1-CG1 4.05Å; F323-V327 HydrophobicContact CE1-CG2 4.39Å; F323-V327 HydrophobicContact CE2-CB 4.46Å; F323-V327 HydrophobicContact CE2-CG2 3.73Å; F323-V327 HydrophobicContact CG-CB 4.44Å; F323-V327 HydrophobicContact CG-CG2 4.2Å; F323-V327 HydrophobicContact CZ-CB 4.34Å; F323-V327 HydrophobicContact CZ-CG1 4.07Å; F323-V327 HydrophobicContact CZ-CG2 4.03Å; F323-V327 WeakPolarHBondContact O-CA 3.44Å; F323-V327 VanDerWaalsContact O-CB 3.28Å; F323-V327 WeakPolarHBondContact O-CB 3.4Å; F323-V327 PolarHBondContact O-N 3.46Å; V327-I329 HydrophobicContact CG1-CD1 4.16Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; V327-T365 HydrophobicContact CB-CG2 4.4Å; V327-T365 HydrophobicContact CG1-CG2 3.86Å
328A98.8Very high95.2Very high0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-125.6131159.500000108.2R79 Y81 W821R79-A328 PolarHBondContact O-N 3.03Å; Y81-A328 PolarHBondContact N-O 3.46Å; A328-W821 HydrophobicContact CB-CB 4.01Å; A328-W821 HydrophobicContact CB-CG 4.19Å
329I98.9Very high95.9Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-114.1118.4178.6-54.6176.8000108.9Y81 L83 L303 I306 V327 L331 T365 F366 A367Y81-I329 CarbonylContact O-C 3.56Å; Y81-I329 WeakPolarHBondContact O-CA 3.25Å; L83-I329 HydrophobicContact CD1-CG2 3.72Å; L83-I329 HydrophobicContact CD2-CG2 3.87Å; L83-I329 HydrophobicContact CG-CG2 4.35Å; L303-I329 HydrophobicContact CD2-CD1 3.67Å; I306-I329 HydrophobicContact CD1-CD1 3.9Å; I306-I329 HydrophobicContact CD1-CG1 4.16Å; V327-I329 HydrophobicContact CG1-CD1 4.16Å; V327-I329 HydrophobicContact CG1-CG1 3.78Å; I329-L331 HydrophobicContact CG2-CD2 4.29Å; I329-T365 HydrophobicContact CB-CG2 4.32Å; I329-T365 HydrophobicContact CD1-CG2 3.76Å; I329-T365 HydrophobicContact CG1-CG2 3.73Å; I329-T365 PolarHBondContact N-O 2.88Å; I329-F366 HydrophobicContact CB-CD1 3.69Å; I329-F366 HydrophobicContact CB-CE1 3.77Å; I329-F366 HydrophobicContact CD1-CD1 4.39Å; I329-F366 HydrophobicContact CD1-CE1 3.7Å; I329-F366 HydrophobicContact CD1-CZ 4.04Å; I329-F366 HydrophobicContact CG1-CE1 4.31Å; I329-F366 HydrophobicContact CG2-CD1 3.79Å; I329-F366 HydrophobicContact CG2-CE1 3.63Å; I329-F366 WeakPolarHBondContact O-CA 3.27Å; I329-A367 PolarHBondContact O-N 2.9Å
330Q98.8Very high96.4Very high0 Ų019.9 Ų19.90%010%0.095CC..EExtended strand (participates in β ladder)trans-95.1115.2174.3-174.562.958.200109.6Y81 Y82 L83 A367 T369 Y816 W821Y81-Q330 PolarHBondContact O-N 3.48Å; Y82-Q330 HydrophobicContact CD2-CB 3.83Å; Y82-Q330 HydrophobicContact CD2-CG 3.74Å; Y82-Q330 HydrophobicContact CE2-CB 4.19Å; Y82-Q330 HydrophobicContact CE2-CG 3.56Å; Y82-Q330 HydrophobicContact CG-CB 4.49Å; L83-Q330 PolarHBondContact N-O 3.42Å; Q330-A367 PolarHBondContact NE2-O 2.76Å; Q330-A367 VanDerWaalsContact NE2-O 3.08Å; Q330-T369 PolarHBondContact NE2-OG1 3.48Å; Q330-Y816 HydrophobicContact CG-CE1 4.36Å; Q330-W821 HydrophobicContact CB-CZ2 4.08Å; Q330-W821 HydrophobicContact CG-CZ2 4.15Å
331L98.6Very high96.6Very high0 Ų019.1 Ų19.10%09%0.092CC..EExtended strand (participates in β ladder)trans-80.6116.2168.8-53.6-178.3000108.2I329 P336 A339 I340 F366 A367 Y368 T369I329-L331 HydrophobicContact CG2-CD2 4.29Å; L331-P336 HydrophobicContact CB-CG 3.9Å; L331-P336 HydrophobicContact CD2-CB 3.88Å; L331-P336 HydrophobicContact CD2-CG 3.91Å; L331-P336 HydrophobicContact CG-CG 4.49Å; L331-A339 HydrophobicContact CD2-CB 4.1Å; L331-I340 HydrophobicContact CD1-CD1 3.76Å; L331-I340 HydrophobicContact CD1-CG1 4.18Å; L331-F366 HydrophobicContact CD1-CB 4.41Å; L331-F366 HydrophobicContact CD1-CD1 4.07Å; L331-F366 HydrophobicContact CD1-CG 4.44Å; L331-F366 HydrophobicContact CD2-CD1 3.77Å; L331-F366 HydrophobicContact CD2-CE1 3.99Å; L331-F366 HydrophobicContact CG-CD1 3.96Å; L331-A367 WeakPolarHBondContact CB-O 3.48Å; L331-A367 PolarHBondContact N-O 3.07Å; L331-Y368 HydrophobicContact CB-CD2 4.27Å; L331-T369 PolarHBondContact O-N 2.88Å
332N96.1Very high96.9Very high0 Ų015.7 Ų15.70%07%0.073CC..EExtended strand (participates in β ladder)trans-97.5103.9176.3-170.763.4000109.3Y82 L83 S84 L134 P336 H371Y82-N332 HydrophobicContact CD1-CB 4.32Å; Y82-N332 HydrophobicContact CE1-CB 3.54Å; Y82-N332 VanDerWaalsContact CE1-CG 3.49Å; Y82-N332 PolarHBondContact OH-OD1 3.03Å; L83-N332 WeakPolarHBondContact O-CB 3.4Å; L83-N332 PolarHBondContact O-N 3.14Å; L83-N332 VanDerWaalsContact O-N 3.14Å; S84-N332 WeakPolarHBondContact CB-ND2 3.42Å; S84-N332 PolarHBondContact OG-ND2 3.3Å; L134-N332 WeakPolarHBondContact CD1-ND2 3.43Å; N332-P336 WeakPolarHBondContact O-CD 3.42Å; N332-H371 PolarHBondContact OD1-NE2 3.49Å; N332-H371 VanDerWaalsContact OD1-NE2 3.14Å
333D93.5Very high97.1Very high18 Ų1811.9 Ų11.910%0.0966%0.055CC..SBendtrans63.1-169.5-170.4-142.4-17.4000113.6L134 P336 Y368 T369L134-D333 HydrophobicContact CD2-CB 4.04Å; D333-P336 WeakPolarHBondContact O-CD 3.39Å; D333-Y368 WeakPolarHBondContact O-CE2 3.42Å; D333-T369 WeakPolarHBondContact CA-O 3.32Å; D333-T369 PolarHBondContact N-O 2.68Å
334T93.7Very high97.2Very high2 Ų211.9 Ų11.91%0.0126%0.055CC..SBendtrans-71.4-30.8-176.750.60000114.7P336 S337 E379 A436T334-P336 VanDerWaalsContact C-CD 3.47Å; T334-P336 VanDerWaalsContact O-N 3.12Å; T334-S337 WeakPolarHBondContact O-CA 3.39Å; T334-S337 WeakPolarHBondContact O-CB 3.16Å; T334-S337 PolarHBondContact O-N 2.96Å; T334-S337 PolarHBondContact O-OG 3.34Å; T334-E379 HydrophobicContact CG2-CB 4.15Å; T334-E379 VanDerWaalsContact OG1-CB 3.24Å; T334-E379 WeakPolarHBondContact OG1-CB 3.48Å; T334-E379 PolarHBondContact OG1-OE2 2.69Å; T334-A436 HydrophobicContact CG2-CB 3.88Å
335H90.4Very high97.2Very high12 Ų1212.1 Ų12.16%0.0565%0.053CC..THydrogen-bonded Turntrans-50.7-38.9-170.8-4199.3000116.3L85 Y279 E295 S337 E379L85-H335 HydrophobicContact CD1-CB 3.67Å; L85-H335 HydrophobicContact CG-CB 3.74Å; Y279-H335 AromaticContact CE1-NE2 3.57Å; Y279-H335 AromaticContact CZ-NE2 3.97Å; Y279-H335 PolarHBondContact OH-CE1 3.23Å; Y279-H335 PolarHBondContact OH-NE2 3.35Å; E295-H335 WeakPolarHBondContact CB-O 3.32Å; E295-H335 HydrophobicContact CG-CB 4.21Å; E295-H335 WeakPolarHBondContact CG-O 3.26Å; H335-S337 VanDerWaalsContact C-N 3.32Å; H335-S337 PolarHBondContact O-N 3.29Å; H335-E379 IonicContact CD2-OE2 3.69Å; H335-E379 PolarHBondContact CD2-OE2 2.92Å; H335-E379 IonicContact CG-OE2 3.51Å
336P96.7Very high97.3Very high0 Ų05.9 Ų5.90%03%0.026CC..THydrogen-bonded Turntrans-8710176.136.6-37.7000114.4L83 V299 L331 N332 D333 T334 L338 A339L83-P336 HydrophobicContact CB-CB 3.79Å; L83-P336 HydrophobicContact CB-CG 4.28Å; L83-P336 HydrophobicContact CD2-CB 4.3Å; V299-P336 HydrophobicContact CG1-CB 4.1Å; V299-P336 WeakPolarHBondContact CG1-O 3.31Å; L331-P336 HydrophobicContact CB-CG 3.9Å; L331-P336 HydrophobicContact CD2-CB 3.88Å; L331-P336 HydrophobicContact CD2-CG 3.91Å; L331-P336 HydrophobicContact CG-CG 4.49Å; N332-P336 WeakPolarHBondContact O-CD 3.42Å; D333-P336 WeakPolarHBondContact O-CD 3.39Å; T334-P336 VanDerWaalsContact C-CD 3.47Å; T334-P336 VanDerWaalsContact O-N 3.12Å; P336-L338 PolarHBondContact O-N 3.16Å; P336-L338 VanDerWaalsContact O-N 3.15Å; P336-A339 WeakPolarHBondContact O-CB 3.39Å; P336-A339 PolarHBondContact O-N 3.3Å
337S97.8Very high97.4Very high0 Ų03.3 Ų3.30%02%0.015CC..THydrogen-bonded Turntrans-49.5-38.9-17854.40000114.4T334 H335 A339 I340 M435 C439T334-S337 WeakPolarHBondContact O-CA 3.39Å; T334-S337 WeakPolarHBondContact O-CB 3.16Å; T334-S337 PolarHBondContact O-N 2.96Å; T334-S337 PolarHBondContact O-OG 3.34Å; H335-S337 VanDerWaalsContact C-N 3.32Å; H335-S337 PolarHBondContact O-N 3.29Å; S337-A339 PolarHBondContact O-N 3.35Å; S337-I340 PolarHBondContact O-N 3.41Å; S337-I340 VanDerWaalsContact O-N 3.09Å; S337-M435 WeakPolarHBondContact OG-CE 3.41Å; S337-C439 WeakPolarHBondContact CB-SG 3.39Å
338L98.7Very high97.2Very high0 Ų04.5 Ų4.50%02%0.023CC..THydrogen-bonded Turntrans-63.1-9.9178.6-69.9172.6000114.2L292 E295 Y296 V299 P336 I340 P341 E342 L386 L390 I397 M435L292-L338 HydrophobicContact CD1-CD1 3.57Å; E295-L338 HydrophobicContact CB-CD1 4.4Å; Y296-L338 HydrophobicContact CD2-CD1 4.48Å; V299-L338 HydrophobicContact CG2-CB 3.94Å; P336-L338 PolarHBondContact O-N 3.16Å; P336-L338 VanDerWaalsContact O-N 3.15Å; L338-I340 PolarHBondContact O-N 3.19Å; L338-P341 HydrophobicContact CD2-CG 4.04Å; L338-P341 VanDerWaalsContact O-CD 3.32Å; L338-P341 WeakPolarHBondContact O-CD 3.22Å; L338-P341 WeakPolarHBondContact O-CG 3.37Å; L338-E342 VanDerWaalsContact O-CB 3.27Å; L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 PolarHBondContact O-N 3.46Å; L338-L386 HydrophobicContact CD2-CD2 4.47Å; L338-L390 HydrophobicContact CD1-CD1 3.82Å; L338-L390 HydrophobicContact CD2-CD1 4.48Å; L338-I397 HydrophobicContact CD2-CD1 4.35Å; L338-M435 HydrophobicContact CD2-CE 3.77Å; L338-M435 HydrophobicContact CG-CE 3.97Å
339A98.9Very high97Very high0 Ų06.2 Ų6.20%03%0.031CC..Hα-helixtrans-60.6-32.3170.200000112.1L83 V299 L303 L331 P336 S337 L343 F366L83-A339 HydrophobicContact CD2-CB 4.37Å; V299-A339 HydrophobicContact CB-CB 3.84Å; V299-A339 HydrophobicContact CG1-CB 3.77Å; L303-A339 HydrophobicContact CD1-CB 4.13Å; L303-A339 WeakPolarHBondContact CD1-O 3.46Å; L331-A339 HydrophobicContact CD2-CB 4.1Å; P336-A339 WeakPolarHBondContact O-CB 3.39Å; P336-A339 PolarHBondContact O-N 3.3Å; S337-A339 PolarHBondContact O-N 3.35Å; A339-L343 WeakPolarHBondContact O-CB 3.41Å; A339-L343 PolarHBondContact O-N 3.08Å; A339-F366 VanDerWaalsContact C-CZ 3.43Å; A339-F366 HydrophobicContact CB-CE1 3.48Å; A339-F366 VanDerWaalsContact CB-CE1 3.48Å; A339-F366 HydrophobicContact CB-CZ 3.62Å; A339-F366 VanDerWaalsContact O-CZ 3.24Å; A339-F366 WeakPolarHBondContact O-CZ 3.39Å
340I98.9Very high96.7Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-62.2-59.9177.7-68.1157.9000111L331 S337 L338 E342 L343 L344 F366 I400 L438L331-I340 HydrophobicContact CD1-CD1 3.76Å; L331-I340 HydrophobicContact CD1-CG1 4.18Å; S337-I340 PolarHBondContact O-N 3.41Å; S337-I340 VanDerWaalsContact O-N 3.09Å; L338-I340 PolarHBondContact O-N 3.19Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 3.03Å; I340-L343 PolarHBondContact O-N 3.29Å; I340-L344 HydrophobicContact CG2-CD1 4.32Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.41Å; I340-L344 PolarHBondContact O-N 3.29Å; I340-F366 HydrophobicContact CB-CD2 4.47Å; I340-F366 HydrophobicContact CB-CE2 4.4Å; I340-F366 HydrophobicContact CG1-CB 4.42Å; I340-F366 HydrophobicContact CG1-CD1 4.47Å; I340-F366 HydrophobicContact CG1-CD2 3.65Å; I340-F366 HydrophobicContact CG1-CE2 3.97Å; I340-F366 HydrophobicContact CG1-CG 3.94Å; I340-I400 HydrophobicContact CG2-CD1 4.26Å; I340-L438 HydrophobicContact CG2-CD1 4.2Å
341P98.8Very high96.4Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-67.5-28.7177.325.9-34.8000113.4L338 R345 H393 I396 I397 L438L338-P341 HydrophobicContact CD2-CG 4.04Å; L338-P341 VanDerWaalsContact O-CD 3.32Å; L338-P341 WeakPolarHBondContact O-CD 3.22Å; L338-P341 WeakPolarHBondContact O-CG 3.37Å; P341-R345 WeakPolarHBondContact O-CB 3.24Å; P341-R345 PolarHBondContact O-N 3.41Å; P341-H393 HydrophobicContact CB-CB 4.32Å; P341-I396 HydrophobicContact CB-CB 4.21Å; P341-I396 HydrophobicContact CB-CG2 3.6Å; P341-I397 HydrophobicContact CB-CG1 4.19Å; P341-I397 HydrophobicContact CG-CD1 4.29Å; P341-I397 HydrophobicContact CG-CG1 4.2Å; P341-L438 HydrophobicContact CG-CD2 4.23Å
342E98.8Very high96Very high1 Ų115.6 Ų15.61%0.0059%0.085CC..Hα-helixtrans-71-40.5176.1175.857.3-175.900112.8Y296 V299 A300 L303 L338 I340 L344 R345 I346 H393Y296-E342 HydrophobicContact CE2-CB 4.2Å; Y296-E342 HydrophobicContact CE2-CG 4.25Å; Y296-E342 PolarHBondContact OH-OE2 3.48Å; V299-E342 HydrophobicContact CG2-CB 4.47Å; A300-E342 HydrophobicContact CB-CG 4.24Å; L303-E342 HydrophobicContact CD1-CB 3.83Å; L303-E342 HydrophobicContact CD1-CG 3.63Å; L338-E342 VanDerWaalsContact O-CB 3.27Å; L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 PolarHBondContact O-N 3.46Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 3.03Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 2.88Å; E342-R345 WeakPolarHBondContact O-CB 3.34Å; E342-R345 PolarHBondContact O-N 3.34Å; E342-R345 IonicContact OE1-CZ 3.24Å; E342-R345 IonicContact OE1-NE 2.91Å; E342-R345 IonicContact OE1-NH2 3.94Å; E342-R345 PolarHBondContact OE1-NH2 2.85Å; E342-R345 IonicContact OE2-CZ 2.75Å; E342-R345 IonicContact OE2-NE 2.96Å; E342-R345 PolarHBondContact OE2-NE 2.92Å; E342-R345 IonicContact OE2-NH2 2.69Å; E342-R345 PolarHBondContact OE2-NH2 2.84Å; E342-I346 HydrophobicContact CG-CD1 4.11Å; E342-I346 VanDerWaalsContact O-CG1 3.31Å; E342-I346 WeakPolarHBondContact O-CG1 3.34Å; E342-I346 PolarHBondContact O-N 2.87Å; E342-H393 IonicContact OE2-CD2 2.72Å; E342-H393 IonicContact OE2-CE1 3.28Å; E342-H393 IonicContact OE2-NE2 3.63Å; E342-H393 PolarHBondContact OE2-NE2 3Å
343L98.8Very high95.9Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-63.4-40.9173.7-179.257.5000110.6L303 I307 F323 A339 I340 I346 L347 F366L303-L343 HydrophobicContact CD1-CB 4.12Å; L303-L343 HydrophobicContact CD2-CB 4.29Å; L303-L343 HydrophobicContact CD2-CD1 4.41Å; I307-L343 HydrophobicContact CD1-CD1 4.19Å; F323-L343 HydrophobicContact CE1-CD1 4.08Å; F323-L343 HydrophobicContact CE1-CD2 3.95Å; F323-L343 HydrophobicContact CZ-CD1 4.38Å; A339-L343 WeakPolarHBondContact O-CB 3.41Å; A339-L343 PolarHBondContact O-N 3.08Å; I340-L343 PolarHBondContact O-N 3.29Å; L343-I346 PolarHBondContact O-N 2.85Å; L343-L347 HydrophobicContact CD1-CD1 4.01Å; L343-L347 HydrophobicContact CD1-CG 3.99Å; L343-L347 HydrophobicContact CG-CD1 3.88Å; L343-L347 HydrophobicContact CG-CG 4.3Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 VanDerWaalsContact O-CG 3.25Å; L343-L347 WeakPolarHBondContact O-CG 3.43Å; L343-L347 PolarHBondContact O-N 2.88Å; L343-F366 HydrophobicContact CB-CE2 3.92Å; L343-F366 HydrophobicContact CB-CZ 4.04Å; L343-F366 HydrophobicContact CD2-CD2 4.48Å; L343-F366 HydrophobicContact CD2-CE2 3.58Å; L343-F366 HydrophobicContact CD2-CZ 3.94Å; L343-F366 HydrophobicContact CG-CE2 4.37Å
344L98.7Very high96Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-61.6-43.9173.5-67.6167.5000111.9I340 E342 I346 L347 V348 W355 A358 W359 I396 I400I340-L344 HydrophobicContact CG2-CD1 4.32Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.41Å; I340-L344 PolarHBondContact O-N 3.29Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 2.88Å; L344-I346 VanDerWaalsContact C-N 3.32Å; L344-I346 PolarHBondContact O-N 3.26Å; L344-L347 PolarHBondContact O-N 2.94Å; L344-V348 WeakPolarHBondContact O-CB 3.34Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å; L344-V348 PolarHBondContact O-N 2.97Å; L344-W355 HydrophobicContact CB-CZ3 4.47Å; L344-W355 HydrophobicContact CD1-CH2 4.12Å; L344-A358 HydrophobicContact CD2-CB 4.09Å; L344-A358 WeakPolarHBondContact CD2-O 3.45Å; L344-W359 HydrophobicContact CD1-CE3 3.84Å; L344-W359 HydrophobicContact CD1-CZ3 3.94Å; L344-W359 HydrophobicContact CD2-CE3 4.21Å; L344-I396 HydrophobicContact CB-CG2 3.96Å; L344-I396 HydrophobicContact CD1-CG2 3.96Å; L344-I400 HydrophobicContact CD1-CD1 3.7Å; L344-I400 HydrophobicContact CD1-CG1 4.15Å
345R97.5Very high96.1Very high28 Ų2825.6 Ų25.611%0.10613%0.131CC..Hα-helixtrans-59-43175.7-163.9-162.859.266.55111.6P341 E342 D349 R392 I396P341-R345 WeakPolarHBondContact O-CB 3.24Å; P341-R345 PolarHBondContact O-N 3.41Å; E342-R345 WeakPolarHBondContact O-CB 3.34Å; E342-R345 PolarHBondContact O-N 3.34Å; E342-R345 IonicContact OE1-CZ 3.24Å; E342-R345 IonicContact OE1-NE 2.91Å; E342-R345 IonicContact OE1-NH2 3.94Å; E342-R345 PolarHBondContact OE1-NH2 2.85Å; E342-R345 IonicContact OE2-CZ 2.75Å; E342-R345 IonicContact OE2-NE 2.96Å; E342-R345 PolarHBondContact OE2-NE 2.92Å; E342-R345 IonicContact OE2-NH2 2.69Å; E342-R345 PolarHBondContact OE2-NH2 2.84Å; R345-D349 HydrophobicContact CG-CB 4.43Å; R345-D349 WeakPolarHBondContact CG-OD2 3.5Å; R345-D349 WeakPolarHBondContact O-CA 3.29Å; R345-D349 WeakPolarHBondContact O-CB 3.24Å; R345-D349 PolarHBondContact O-N 3.32Å; R345-R392 HydrophobicContact CG-CG 3.85Å; R345-I396 HydrophobicContact CB-CD1 3.51Å; R345-I396 HydrophobicContact CG-CD1 3.87Å
346I97Very high96.4Very high7 Ų733.5 Ų33.54%0.03617%0.165CC..Iπ-helixtrans-65.2-51.7176.8-64.5162.8000110.2L303 I307 E342 L343 L344 V348 L350 E351L303-I346 HydrophobicContact CB-CD1 4.01Å; I307-I346 HydrophobicContact CD1-CB 4.48Å; I307-I346 HydrophobicContact CD1-CD1 4.04Å; I307-I346 HydrophobicContact CD1-CG2 3.75Å; E342-I346 HydrophobicContact CG-CD1 4.11Å; E342-I346 VanDerWaalsContact O-CG1 3.31Å; E342-I346 WeakPolarHBondContact O-CG1 3.34Å; E342-I346 PolarHBondContact O-N 2.87Å; L343-I346 PolarHBondContact O-N 2.85Å; L344-I346 VanDerWaalsContact C-N 3.32Å; L344-I346 PolarHBondContact O-N 3.26Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 PolarHBondContact O-N 3.46Å; I346-L350 HydrophobicContact CG1-CD1 4.29Å; I346-L350 HydrophobicContact CG2-CD1 4.35Å; I346-L350 WeakPolarHBondContact O-CA 3.34Å; I346-L350 WeakPolarHBondContact O-CB 3.26Å; I346-L350 PolarHBondContact O-N 2.98Å; I346-L350 VanDerWaalsContact O-N 3.12Å; I346-E351 HydrophobicContact CG2-CG 4.16Å; I346-E351 WeakPolarHBondContact O-CG 3.42Å; I346-E351 PolarHBondContact O-N 3.32Å
347L97.3Very high96.5Very high0 Ų037.1 Ų37.10%018%0.18CC..Iπ-helixtrans-63.1-35.2-176.5-68.9175000113.3F320 L343 L344 E351 G352 L353 A358 I361F320-L347 HydrophobicContact CB-CD2 4.2Å; F320-L347 HydrophobicContact CD1-CD2 3.59Å; F320-L347 HydrophobicContact CD2-CD2 4.22Å; F320-L347 HydrophobicContact CE1-CD2 3.9Å; F320-L347 HydrophobicContact CE2-CD2 4.49Å; F320-L347 HydrophobicContact CG-CD2 3.76Å; F320-L347 HydrophobicContact CZ-CD2 4.34Å; L343-L347 HydrophobicContact CD1-CD1 4.01Å; L343-L347 HydrophobicContact CD1-CG 3.99Å; L343-L347 HydrophobicContact CG-CD1 3.88Å; L343-L347 HydrophobicContact CG-CG 4.3Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 VanDerWaalsContact O-CG 3.25Å; L343-L347 WeakPolarHBondContact O-CG 3.43Å; L343-L347 PolarHBondContact O-N 2.88Å; L344-L347 PolarHBondContact O-N 2.94Å; L347-E351 CarbonylContact O-C 3.58Å; L347-G352 PolarHBondContact O-N 2.82Å; L347-L353 HydrophobicContact CB-CD1 4.26Å; L347-L353 HydrophobicContact CD2-CD1 3.96Å; L347-L353 VanDerWaalsContact O-CB 3.31Å; L347-L353 WeakPolarHBondContact O-CB 3.48Å; L347-L353 PolarHBondContact O-N 2.97Å; L347-A358 HydrophobicContact CB-CB 3.7Å; L347-A358 HydrophobicContact CD1-CB 4.22Å; L347-I361 HydrophobicContact CD1-CB 4.08Å; L347-I361 HydrophobicContact CD1-CG2 3.74Å
348V95.6Very high96.5Very high27 Ų2737.1 Ų37.116%0.16418%0.18CC..Iπ-helixtrans-90.7-54.3-178.8178.90000112.1L344 I346 G352 W355 A358L344-V348 WeakPolarHBondContact O-CB 3.34Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å; L344-V348 PolarHBondContact O-N 2.97Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 PolarHBondContact O-N 3.46Å; V348-G352 VanDerWaalsContact O-CA 3.26Å; V348-G352 WeakPolarHBondContact O-CA 3.32Å; V348-G352 PolarHBondContact O-N 3.49Å; V348-W355 HydrophobicContact CG2-CE3 4.17Å; V348-A358 HydrophobicContact CG2-CB 3.53Å
349D94Very high96.5Very high35 Ų3539.8 Ų39.819%0.18719%0.191CC..Iπ-helixtrans-82.2-28.3-169.7-55.4-10.3000112.7R345 R392R345-D349 HydrophobicContact CG-CB 4.43Å; R345-D349 WeakPolarHBondContact CG-OD2 3.5Å; R345-D349 WeakPolarHBondContact O-CA 3.29Å; R345-D349 WeakPolarHBondContact O-CB 3.24Å; R345-D349 PolarHBondContact O-N 3.32Å; D349-R392 IonicContact OD1-CZ 3.27Å; D349-R392 IonicContact OD1-NE 3.52Å; D349-R392 PolarHBondContact OD1-NE 3.43Å; D349-R392 IonicContact OD1-NH2 2.92Å; D349-R392 PolarHBondContact OD1-NH2 3.37Å; D349-R392 WeakPolarHBondContact OD2-CG 3.29Å; D349-R392 IonicContact OD2-CZ 2.71Å; D349-R392 IonicContact OD2-NE 3.68Å; D349-R392 PolarHBondContact OD2-NE 3.42Å; D349-R392 IonicContact OD2-NH2 2.92Å
350L92.1Very high96.5Very high113 Ų11344.3 Ų44.359%0.59222%0.215SC*.Iπ-helixtrans-104.8-47.2-178.1-53.8-177.2000112.7I346I346-L350 HydrophobicContact CG1-CD1 4.29Å; I346-L350 HydrophobicContact CG2-CD1 4.35Å; I346-L350 WeakPolarHBondContact O-CA 3.34Å; I346-L350 WeakPolarHBondContact O-CB 3.26Å; I346-L350 PolarHBondContact O-N 2.98Å; I346-L350 VanDerWaalsContact O-N 3.12Å
351E92Very high96.5Very high60 Ų6044.5 Ų44.528%0.2822%0.216SC..SBendtrans-87.6-11.8-179-52.5-64.6166.700112.6R311 F320 I346 L347 L353R311-E351 IonicContact CZ-OE1 2.76Å; R311-E351 VanDerWaalsContact CZ-OE1 3.24Å; R311-E351 IonicContact CZ-OE2 3.63Å; R311-E351 IonicContact NH1-OE1 3.32Å; R311-E351 PolarHBondContact NH1-OE1 2.76Å; R311-E351 IonicContact NH1-OE2 2.74Å; R311-E351 IonicContact NH2-OE1 3.7Å; R311-E351 PolarHBondContact NH2-OE1 3.42Å; R311-E351 IonicContact NH2-OE2 3.04Å; R311-E351 PolarHBondContact NH2-OE2 3.25Å; F320-E351 HydrophobicContact CE2-CB 4.11Å; F320-E351 HydrophobicContact CE2-CG 3.64Å; F320-E351 HydrophobicContact CZ-CG 3.81Å; I346-E351 HydrophobicContact CG2-CG 4.16Å; I346-E351 WeakPolarHBondContact O-CG 3.42Å; I346-E351 PolarHBondContact O-N 3.32Å; L347-E351 CarbonylContact O-C 3.58Å; E351-L353 VanDerWaalsContact C-N 3.35Å; E351-L353 PolarHBondContact O-N 3.28Å
352G91.4Very high96.5Very high24 Ų2444.5 Ų44.525%0.24722%0.216CC..  trans74.316.617000000115.8R211 L347 V348R211-G352 PolarHBondContact NH2-O 2.98Å; L347-G352 PolarHBondContact O-N 2.82Å; V348-G352 VanDerWaalsContact O-CA 3.26Å; V348-G352 WeakPolarHBondContact O-CA 3.32Å; V348-G352 PolarHBondContact O-N 3.49Å
353L94.4Very high96.5Very high39 Ų3947 Ų4720%0.20423%0.226CC..  trans-70.5149.8177.9-58.5-176.7000111.7F320 L347 E351 I361F320-L353 HydrophobicContact CB-CD1 4.28Å; L347-L353 HydrophobicContact CB-CD1 4.26Å; L347-L353 HydrophobicContact CD2-CD1 3.96Å; L347-L353 VanDerWaalsContact O-CB 3.31Å; L347-L353 WeakPolarHBondContact O-CB 3.48Å; L347-L353 PolarHBondContact O-N 2.97Å; E351-L353 VanDerWaalsContact C-N 3.35Å; E351-L353 PolarHBondContact O-N 3.28Å; L353-I361 HydrophobicContact CD1-CD1 3.9Å
354E95.2Very high96.5Very high160 Ų16049.9 Ų49.975%0.74824%0.241SC*.  trans-62.9140.3169.5-64-177.4168.300111K356 K357 A358E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 2.74Å; E354-K357 WeakPolarHBondContact O-CB 3.25Å; E354-K357 PolarHBondContact O-N 3.2Å; E354-A358 PolarHBondContact O-N 2.84Å
355W95.6Very high96.5Very high32 Ų3249.9 Ų49.912%0.12124%0.241CC..Hα-helixtrans-49.6-49.1-175.7172.5-94.1000113.6L344 V348 K357 A358 W359 I396 Q399 I400 E403L344-W355 HydrophobicContact CB-CZ3 4.47Å; L344-W355 HydrophobicContact CD1-CH2 4.12Å; V348-W355 HydrophobicContact CG2-CE3 4.17Å; W355-K357 PolarHBondContact O-N 2.71Å; W355-A358 CarbonylContact O-C 3.59Å; W355-A358 WeakPolarHBondContact O-CB 3.49Å; W355-A358 PolarHBondContact O-N 2.87Å; W355-A358 VanDerWaalsContact O-N 3.11Å; W355-W359 WeakPolarHBondContact O-CB 3.2Å; W355-W359 PolarHBondContact O-N 2.72Å; W355-I396 HydrophobicContact CH2-CG2 3.84Å; W355-I396 HydrophobicContact CZ3-CG1 4.34Å; W355-I396 HydrophobicContact CZ3-CG2 3.98Å; W355-Q399 HydrophobicContact CD2-CG 4.32Å; W355-Q399 VanDerWaalsContact CD2-NE2 3.26Å; W355-Q399 VanDerWaalsContact CG-NE2 3.27Å; W355-Q399 HydrophobicContact CH2-CB 3.9Å; W355-Q399 HydrophobicContact CH2-CG 3.97Å; W355-Q399 HydrophobicContact CZ2-CB 3.97Å; W355-Q399 HydrophobicContact CZ2-CG 3.62Å; W355-Q399 HydrophobicContact CZ3-CB 4.49Å; W355-Q399 HydrophobicContact CZ3-CG 4.47Å; W355-I400 HydrophobicContact CH2-CG1 3.91Å; W355-I400 HydrophobicContact CZ2-CG1 3.91Å; W355-E403 VanDerWaalsContact CD1-OE1 3.25Å; W355-E403 PolarHBondContact NE1-OE1 3.31Å; W355-E403 PolarHBondContact NE1-OE2 3.18Å
356K96.9Very high96.5Very high177 Ų17748.6 Ų48.677%0.7724%0.236SC*.Hα-helixtrans-59.3-34.2-179.7-177.9174.3179.3177.70113E354 D360E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 2.74Å; K356-D360 PolarHBondContact O-N 2.58Å
357K97.9Very high96.6Very high76 Ų7648.3 Ų48.333%0.3324%0.235SC..Hα-helixtrans-76.2-40.9175.9177.6167.5177.7160.90111.4D321 E354 W355 W359 D360 I361D321-K357 WeakPolarHBondContact OD1-CE 3.42Å; D321-K357 IonicContact OD1-NZ 2.72Å; D321-K357 PolarHBondContact OD1-NZ 3.14Å; D321-K357 IonicContact OD2-NZ 2.75Å; D321-K357 PolarHBondContact OD2-NZ 3.46Å; E354-K357 WeakPolarHBondContact O-CB 3.25Å; E354-K357 PolarHBondContact O-N 3.2Å; W355-K357 PolarHBondContact O-N 2.71Å; K357-W359 VanDerWaalsContact C-N 3.3Å; K357-W359 PolarHBondContact O-N 2.85Å; K357-D360 PolarHBondContact O-N 2.79Å; K357-I361 HydrophobicContact CG-CD1 3.87Å; K357-I361 WeakPolarHBondContact O-CD1 3.12Å; K357-I361 VanDerWaalsContact O-CG1 3.3Å; K357-I361 WeakPolarHBondContact O-CG1 3.48Å; K357-I361 PolarHBondContact O-N 2.94Å; K357-I361 VanDerWaalsContact O-N 3.12Å
358A98.3Very high96.7Very high0 Ų048.3 Ų48.30%024%0.235CC..Hα-helixtrans-61.6-38.9173.200000112L344 L347 V348 E354 W355 S362L344-A358 HydrophobicContact CD2-CB 4.09Å; L344-A358 WeakPolarHBondContact CD2-O 3.45Å; L347-A358 HydrophobicContact CB-CB 3.7Å; L347-A358 HydrophobicContact CD1-CB 4.22Å; V348-A358 HydrophobicContact CG2-CB 3.53Å; E354-A358 PolarHBondContact O-N 2.84Å; W355-A358 CarbonylContact O-C 3.59Å; W355-A358 WeakPolarHBondContact O-CB 3.49Å; W355-A358 PolarHBondContact O-N 2.87Å; W355-A358 VanDerWaalsContact O-N 3.11Å; A358-S362 VanDerWaalsContact O-CB 3.28Å; A358-S362 WeakPolarHBondContact O-CB 3.32Å; A358-S362 PolarHBondContact O-N 2.93Å
359W98.6Very high96.8Very high57 Ų5747 Ų4722%0.21623%0.227CC..Hα-helixtrans-61.6-51.5175.5-178.5-103.9000112.3L344 W355 K357 I361 S362 Y363 I400 V441L344-W359 HydrophobicContact CD1-CE3 3.84Å; L344-W359 HydrophobicContact CD1-CZ3 3.94Å; L344-W359 HydrophobicContact CD2-CE3 4.21Å; W355-W359 WeakPolarHBondContact O-CB 3.2Å; W355-W359 PolarHBondContact O-N 2.72Å; K357-W359 VanDerWaalsContact C-N 3.3Å; K357-W359 PolarHBondContact O-N 2.85Å; W359-I361 VanDerWaalsContact C-N 3.33Å; W359-I361 PolarHBondContact O-N 3.41Å; W359-S362 PolarHBondContact O-N 2.57Å; W359-Y363 AromaticContact CZ2-CD2 3.97Å; W359-Y363 HydrophobicContact CZ2-CD2 3.97Å; W359-Y363 VanDerWaalsContact O-CB 3.23Å; W359-Y363 WeakPolarHBondContact O-CB 3.14Å; W359-Y363 PolarHBondContact O-N 3.12Å; W359-I400 HydrophobicContact CE3-CG1 4.28Å; W359-I400 HydrophobicContact CH2-CG1 4.37Å; W359-I400 HydrophobicContact CH2-CG2 3.83Å; W359-I400 HydrophobicContact CZ3-CB 4.42Å; W359-I400 HydrophobicContact CZ3-CD1 3.92Å; W359-I400 HydrophobicContact CZ3-CG1 3.65Å; W359-I400 HydrophobicContact CZ3-CG2 3.97Å; W359-V441 HydrophobicContact CH2-CG1 4.13Å; W359-V441 HydrophobicContact CZ2-CG1 4.33Å
360D98.7Very high96.9Very high95 Ų9545.4 Ų45.451%0.50822%0.218SC..Hα-helixtrans-60-42.1178.1-176.170.3000112.2K356 K357 N364K356-D360 PolarHBondContact O-N 2.58Å; K357-D360 PolarHBondContact O-N 2.79Å; D360-N364 WeakPolarHBondContact O-CB 3.33Å; D360-N364 PolarHBondContact O-N 3.19Å; D360-N364 VanDerWaalsContact O-N 3.14Å; D360-N364 PolarHBondContact O-ND2 3.13Å; D360-N364 PolarHBondContact OD1-ND2 3.16Å
361I98.8Very high96.9Very high4 Ų441.3 Ų41.32%0.02120%0.196CC..Hα-helixtrans-63.8-42.8176-67.9164000111.3F320 F323 P324 L347 L353 K357 W359 T365F320-I361 HydrophobicContact CB-CD1 3.96Å; F323-I361 HydrophobicContact CB-CG2 4.09Å; F323-I361 HydrophobicContact CD1-CG2 4.15Å; P324-I361 HydrophobicContact CG-CG2 4.34Å; L347-I361 HydrophobicContact CD1-CB 4.08Å; L347-I361 HydrophobicContact CD1-CG2 3.74Å; L353-I361 HydrophobicContact CD1-CD1 3.9Å; K357-I361 HydrophobicContact CG-CD1 3.87Å; K357-I361 WeakPolarHBondContact O-CD1 3.12Å; K357-I361 VanDerWaalsContact O-CG1 3.3Å; K357-I361 WeakPolarHBondContact O-CG1 3.48Å; K357-I361 PolarHBondContact O-N 2.94Å; K357-I361 VanDerWaalsContact O-N 3.12Å; W359-I361 VanDerWaalsContact C-N 3.33Å; W359-I361 PolarHBondContact O-N 3.41Å; I361-T365 WeakPolarHBondContact O-CB 3.46Å; I361-T365 PolarHBondContact O-N 3.2Å; I361-T365 PolarHBondContact O-OG1 3.06Å
362S98.8Very high96.8Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-66.4-52.1178.9-167.40000111.4A358 W359 N364 T365 F366A358-S362 VanDerWaalsContact O-CB 3.28Å; A358-S362 WeakPolarHBondContact O-CB 3.32Å; A358-S362 PolarHBondContact O-N 2.93Å; W359-S362 PolarHBondContact O-N 2.57Å; S362-N364 PolarHBondContact O-N 2.84Å; S362-T365 WeakPolarHBondContact O-CB 3.43Å; S362-T365 PolarHBondContact O-N 2.81Å; S362-F366 VanDerWaalsContact O-CD2 3.29Å; S362-F366 WeakPolarHBondContact O-CD2 3.44Å; S362-F366 PolarHBondContact O-N 3.26Å; S362-F366 WeakPolarHBondContact OG-CE2 3.48Å
363Y98.7Very high96.6Very high54 Ų5438.9 Ų38.921%0.21218%0.18CC..Hα-helixtrans-55.3-48.4-178.1-175.1-90.7000112.5W359 T365 V441 S443 H444 K472W359-Y363 AromaticContact CZ2-CD2 3.97Å; W359-Y363 HydrophobicContact CZ2-CD2 3.97Å; W359-Y363 VanDerWaalsContact O-CB 3.23Å; W359-Y363 WeakPolarHBondContact O-CB 3.14Å; W359-Y363 PolarHBondContact O-N 3.12Å; Y363-T365 PolarHBondContact O-N 3.26Å; Y363-V441 WeakPolarHBondContact CE2-O 3.39Å; Y363-S443 VanDerWaalsContact CE2-O 3.24Å; Y363-S443 WeakPolarHBondContact CE2-O 3.41Å; Y363-H444 HydrophobicContact CD1-CB 3.97Å; Y363-H444 HydrophobicContact CE1-CB 3.74Å; Y363-H444 WeakPolarHBondContact O-CB 3.2Å; Y363-H444 PolarHBondContact O-N 3.34Å; Y363-K472 PolarHBondContact OH-NZ 2.81Å
364N98.6Very high96.1Very high60 Ų6037.9 Ų37.932%0.32117%0.174SC..THydrogen-bonded Turntrans-75.2-5.4179.7-67.6-69.3000114P324 D360 S362P324-N364 HydrophobicContact CB-CB 3.79Å; P324-N364 HydrophobicContact CG-CB 4.05Å; D360-N364 WeakPolarHBondContact O-CB 3.33Å; D360-N364 PolarHBondContact O-N 3.19Å; D360-N364 VanDerWaalsContact O-N 3.14Å; D360-N364 PolarHBondContact O-ND2 3.13Å; D360-N364 PolarHBondContact OD1-ND2 3.16Å; S362-N364 PolarHBondContact O-N 2.84Å
365T98.8Very high95.2Very high0 Ų033.9 Ų33.90%016%0.162CC..THydrogen-bonded Turntrans-94.8-35.7177.4-61.80000112.5F323 V327 I329 I361 S362 Y363F323-T365 HydrophobicContact CD1-CG2 4.18Å; F323-T365 HydrophobicContact CE1-CG2 3.95Å; V327-T365 HydrophobicContact CB-CG2 4.4Å; V327-T365 HydrophobicContact CG1-CG2 3.86Å; I329-T365 HydrophobicContact CB-CG2 4.32Å; I329-T365 HydrophobicContact CD1-CG2 3.76Å; I329-T365 HydrophobicContact CG1-CG2 3.73Å; I329-T365 PolarHBondContact N-O 2.88Å; I361-T365 WeakPolarHBondContact O-CB 3.46Å; I361-T365 PolarHBondContact O-N 3.2Å; I361-T365 PolarHBondContact O-OG1 3.06Å; S362-T365 WeakPolarHBondContact O-CB 3.43Å; S362-T365 PolarHBondContact O-N 2.81Å; Y363-T365 PolarHBondContact O-N 3.26Å
366F98.9Very high94.3Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-93.8129.5-173.2-71.5-67.7000113.6L303 I329 L331 A339 I340 L343 S362 S443 H444L303-F366 HydrophobicContact CD2-CZ 4.36Å; I329-F366 HydrophobicContact CB-CD1 3.69Å; I329-F366 HydrophobicContact CB-CE1 3.77Å; I329-F366 HydrophobicContact CD1-CD1 4.39Å; I329-F366 HydrophobicContact CD1-CE1 3.7Å; I329-F366 HydrophobicContact CD1-CZ 4.04Å; I329-F366 HydrophobicContact CG1-CE1 4.31Å; I329-F366 HydrophobicContact CG2-CD1 3.79Å; I329-F366 HydrophobicContact CG2-CE1 3.63Å; I329-F366 WeakPolarHBondContact O-CA 3.27Å; L331-F366 HydrophobicContact CD1-CB 4.41Å; L331-F366 HydrophobicContact CD1-CD1 4.07Å; L331-F366 HydrophobicContact CD1-CG 4.44Å; L331-F366 HydrophobicContact CD2-CD1 3.77Å; L331-F366 HydrophobicContact CD2-CE1 3.99Å; L331-F366 HydrophobicContact CG-CD1 3.96Å; A339-F366 VanDerWaalsContact C-CZ 3.43Å; A339-F366 HydrophobicContact CB-CE1 3.48Å; A339-F366 VanDerWaalsContact CB-CE1 3.48Å; A339-F366 HydrophobicContact CB-CZ 3.62Å; A339-F366 VanDerWaalsContact O-CZ 3.24Å; A339-F366 WeakPolarHBondContact O-CZ 3.39Å; I340-F366 HydrophobicContact CB-CD2 4.47Å; I340-F366 HydrophobicContact CB-CE2 4.4Å; I340-F366 HydrophobicContact CG1-CB 4.42Å; I340-F366 HydrophobicContact CG1-CD1 4.47Å; I340-F366 HydrophobicContact CG1-CD2 3.65Å; I340-F366 HydrophobicContact CG1-CE2 3.97Å; I340-F366 HydrophobicContact CG1-CG 3.94Å; L343-F366 HydrophobicContact CB-CE2 3.92Å; L343-F366 HydrophobicContact CB-CZ 4.04Å; L343-F366 HydrophobicContact CD2-CD2 4.48Å; L343-F366 HydrophobicContact CD2-CE2 3.58Å; L343-F366 HydrophobicContact CD2-CZ 3.94Å; L343-F366 HydrophobicContact CG-CE2 4.37Å; S362-F366 VanDerWaalsContact O-CD2 3.29Å; S362-F366 WeakPolarHBondContact O-CD2 3.44Å; S362-F366 PolarHBondContact O-N 3.26Å; S362-F366 WeakPolarHBondContact OG-CE2 3.48Å; F366-S443 CarbonylContact O-C 3.42Å; F366-S443 WeakPolarHBondContact O-CA 3.5Å; F366-S443 WeakPolarHBondContact O-CB 3.43Å; F366-H444 PolarHBondContact O-N 3.34Å; F366-H444 PolarHBondContact O-ND1 2.93Å
367A98.8Very high93.6Very high1 Ų130.9 Ų30.91%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-116.1146.1164.200000110.3I329 Q330 L331 H444 T445 I820I329-A367 PolarHBondContact O-N 2.9Å; Q330-A367 PolarHBondContact NE2-O 2.76Å; Q330-A367 VanDerWaalsContact NE2-O 3.08Å; L331-A367 WeakPolarHBondContact CB-O 3.48Å; L331-A367 PolarHBondContact N-O 3.07Å; A367-H444 VanDerWaalsContact CB-CE1 3.5Å; A367-H444 WeakPolarHBondContact CB-CE1 3.29Å; A367-T445 WeakPolarHBondContact CB-OG1 3.39Å; A367-I820 HydrophobicContact CB-CG2 3.26Å
368Y98.6Very high93Very high1 Ų127.7 Ų27.70%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-117.9136.8-178171.2-135.3000111.9L331 D333 N370 C439 I440 S443 T445 V446 N447L331-Y368 HydrophobicContact CB-CD2 4.27Å; D333-Y368 WeakPolarHBondContact O-CE2 3.42Å; Y368-N370 HydrophobicContact CE1-CB 3.88Å; Y368-N370 HydrophobicContact CE2-CB 4.37Å; Y368-N370 PolarHBondContact OH-OD1 2.73Å; Y368-C439 HydrophobicContact CD1-CB 3.53Å; Y368-C439 HydrophobicContact CD2-CB 3.72Å; Y368-C439 HydrophobicContact CE1-CB 3.71Å; Y368-C439 HydrophobicContact CE2-CB 3.91Å; Y368-C439 HydrophobicContact CG-CB 3.55Å; Y368-I440 HydrophobicContact CD1-CG1 4.08Å; Y368-I440 HydrophobicContact CE1-CG1 3.94Å; Y368-S443 WeakPolarHBondContact CB-OG 3.39Å; Y368-T445 PolarHBondContact N-O 2.86Å; Y368-V446 HydrophobicContact CD1-CG1 3.88Å; Y368-V446 HydrophobicContact CD1-CG2 4.23Å; Y368-V446 HydrophobicContact CE1-CG1 4.38Å; Y368-V446 CarbonylContact O-C 3.34Å; Y368-V446 WeakPolarHBondContact O-CA 3.44Å; Y368-N447 PolarHBondContact O-N 2.76Å
369T98Very high92.6Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-116124.2166.2-57.50000109.2Q330 L331 D333 H371 N447 V449 Y816Q330-T369 PolarHBondContact NE2-OG1 3.48Å; L331-T369 PolarHBondContact O-N 2.88Å; D333-T369 WeakPolarHBondContact CA-O 3.32Å; D333-T369 PolarHBondContact N-O 2.68Å; T369-H371 VanDerWaalsContact CG2-NE2 3.25Å; T369-H371 WeakPolarHBondContact CG2-NE2 3.48Å; T369-H371 PolarHBondContact O-CD2 3.19Å; T369-N447 HydrophobicContact CG2-CB 4.28Å; T369-V449 HydrophobicContact CG2-CG1 3.42Å; T369-V449 VanDerWaalsContact CG2-CG1 3.42Å; T369-Y816 WeakPolarHBondContact CG2-OH 3.36Å; T369-Y816 WeakPolarHBondContact OG1-CE1 3.39Å; T369-Y816 PolarHBondContact OG1-OH 2.9Å
370N96.2Very high92.4Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-97.5127177.2177.635.9000111.6Y368 T372 N447 H453 L457 F462Y368-N370 HydrophobicContact CE1-CB 3.88Å; Y368-N370 HydrophobicContact CE2-CB 4.37Å; Y368-N370 PolarHBondContact OH-OD1 2.73Å; N370-T372 PolarHBondContact ND2-O 3.13Å; N370-T372 PolarHBondContact OD1-N 3.48Å; N370-T372 PolarHBondContact OD1-O 3.39Å; N370-N447 PolarHBondContact N-O 2.83Å; N370-H453 PolarHBondContact O-NE2 2.96Å; N370-L457 HydrophobicContact CB-CD1 4.08Å; N370-L457 WeakPolarHBondContact ND2-CD1 3.43Å; N370-L457 WeakPolarHBondContact ND2-CD2 3.15Å; N370-F462 WeakPolarHBondContact ND2-CE2 3.35Å
371H92.7Very high92.2Very high28 Ų2825.3 Ų25.313%0.1313%0.132CC..  trans-107.24.4-175.5-66.1-91000114.5L134 L137 N332 T369 A669L134-H371 HydrophobicContact CD1-CB 4.18Å; L137-H371 VanDerWaalsContact CD2-CE1 3.48Å; L137-H371 WeakPolarHBondContact CD2-CE1 3.46Å; N332-H371 PolarHBondContact OD1-NE2 3.49Å; N332-H371 VanDerWaalsContact OD1-NE2 3.14Å; T369-H371 VanDerWaalsContact CG2-NE2 3.25Å; T369-H371 WeakPolarHBondContact CG2-NE2 3.48Å; T369-H371 PolarHBondContact O-CD2 3.19Å; H371-A669 WeakPolarHBondContact O-CB 3.49Å
372T89.7Confident92.1Very high15 Ų1525.5 Ų25.59%0.09213%0.133CC..  trans-141.5149.6179.5-172.50000113.9N370 L374 A377 L378N370-T372 PolarHBondContact ND2-O 3.13Å; N370-T372 PolarHBondContact OD1-N 3.48Å; N370-T372 PolarHBondContact OD1-O 3.39Å; T372-L374 PolarHBondContact OG1-N 3.08Å; T372-L374 VanDerWaalsContact OG1-N 3.11Å; T372-A377 HydrophobicContact CG2-CB 3.89Å; T372-A377 WeakPolarHBondContact OG1-CB 3.4Å; T372-L378 HydrophobicContact CG2-CD2 3.66Å; T372-L378 HydrophobicContact CG2-CG 4.29Å
373I86.1Confident92Very high18 Ų1826 Ų269%0.09214%0.136CC..  trans-110.3-12.9166.745-180000112.4P375 L456 L457 G666I373-P375 WeakPolarHBondContact O-CD 3.27Å; I373-L456 HydrophobicContact CD1-CD1 3.96Å; I373-L456 HydrophobicContact CG2-CB 4.44Å; I373-L457 HydrophobicContact CG2-CD2 3.59Å; I373-L457 HydrophobicContact CG2-CG 4.48Å; I373-G666 WeakPolarHBondContact CD1-O 3.45Å
374L84.8Confident91.9Very high17 Ų1727.7 Ų27.79%0.08915%0.152CC..  trans-74.3120.2-177.7-65.9176.2000110.3T372 E376 A377 L378 Y569 T667T372-L374 PolarHBondContact OG1-N 3.08Å; T372-L374 VanDerWaalsContact OG1-N 3.11Å; L374-E376 HydrophobicContact CB-CG 4.44Å; L374-E376 PolarHBondContact O-N 3.03Å; L374-A377 HydrophobicContact CB-CB 4.42Å; L374-A377 PolarHBondContact O-N 2.91Å; L374-L378 PolarHBondContact O-N 2.82Å; L374-Y569 HydrophobicContact CD1-CD1 3.6Å; L374-Y569 HydrophobicContact CD1-CE1 3.3Å; L374-Y569 HydrophobicContact CD1-CG 4.47Å; L374-T667 HydrophobicContact CD2-CG2 4.38Å
375P77Confident91.8Very high76 Ų7625 Ų2549%0.49414%0.138SC..G310 helixtrans-57.7-32.2-177-27.336.1000114.1I373 A377 L378 R380I373-P375 WeakPolarHBondContact O-CD 3.27Å; P375-A377 PolarHBondContact O-N 3.5Å; P375-L378 PolarHBondContact O-N 2.91Å; P375-R380 PolarHBondContact O-NH1 2.86Å
376E75.2Confident91.7Very high99 Ų9925 Ų2546%0.46314%0.138SC..G310 helixtrans-68.4-17.7176.860-97.3-112.500114.2L374 R766L374-E376 HydrophobicContact CB-CG 4.44Å; L374-E376 PolarHBondContact O-N 3.03Å; E376-R766 IonicContact OE1-CZ 3.92Å; E376-R766 VanDerWaalsContact OE1-CZ 3.24Å; E376-R766 IonicContact OE1-NH1 3.67Å; E376-R766 PolarHBondContact OE1-NH1 2.96Å; E376-R766 IonicContact OE1-NH2 3.87Å; E376-R766 PolarHBondContact OE1-NH2 3.38Å; E376-R766 IonicContact OE2-NH2 2.78Å
377A82.1Confident91.7Very high47 Ų4730.5 Ų30.539%0.38816%0.163SC..G310 helixtrans-99.6-4.3174.700000112.9T372 L374 P375 E379T372-A377 HydrophobicContact CG2-CB 3.89Å; T372-A377 WeakPolarHBondContact OG1-CB 3.4Å; L374-A377 HydrophobicContact CB-CB 4.42Å; L374-A377 PolarHBondContact O-N 2.91Å; P375-A377 PolarHBondContact O-N 3.5Å; A377-E379 PolarHBondContact O-N 2.77Å
378L85Confident91.5Very high10 Ų1035.1 Ų35.15%0.05219%0.185CC..SBendtrans-80.6107.6168.3-63.4177.3000108.8T372 L374 P375 R380 A436 T461 F462T372-L378 HydrophobicContact CG2-CD2 3.66Å; T372-L378 HydrophobicContact CG2-CG 4.29Å; L374-L378 PolarHBondContact O-N 2.82Å; P375-L378 PolarHBondContact O-N 2.91Å; L378-R380 PolarHBondContact O-NH1 3.19Å; L378-A436 HydrophobicContact CD2-CB 3.93Å; L378-T461 HydrophobicContact CD1-CG2 3.96Å; L378-F462 HydrophobicContact CD1-CE1 4.2Å; L378-F462 HydrophobicContact CD1-CZ 4.26Å; L378-F462 HydrophobicContact CD2-CZ 4Å
379E91Very high91.4Very high17 Ų1735 Ų358%0.07918%0.184CC..  trans-60.3133-173.6-174.1-176.693.800113T334 H335 A377 W381 M435T334-E379 HydrophobicContact CG2-CB 4.15Å; T334-E379 VanDerWaalsContact OG1-CB 3.24Å; T334-E379 WeakPolarHBondContact OG1-CB 3.48Å; T334-E379 PolarHBondContact OG1-OE2 2.69Å; H335-E379 IonicContact CD2-OE2 3.69Å; H335-E379 PolarHBondContact CD2-OE2 2.92Å; H335-E379 IonicContact CG-OE2 3.51Å; A377-E379 PolarHBondContact O-N 2.77Å; E379-W381 HydrophobicContact CG-CZ2 4.18Å; E379-M435 HydrophobicContact CB-CB 4.14Å; E379-M435 HydrophobicContact CB-CG 4.25Å; E379-M435 HydrophobicContact CG-CB 4.25Å; E379-M435 HydrophobicContact CG-CG 3.93Å; E379-M435 WeakPolarHBondContact O-CG 3.43Å; E379-M435 PolarHBondContact O-N 3.01Å; E379-M435 WeakPolarHBondContact OE1-CB 3.4Å; E379-M435 WeakPolarHBondContact OE1-CG 3.47Å
380R93.4Very high91.5Very high74 Ų7435 Ų3528%0.27918%0.184SC..EExtended strand (participates in β ladder)trans-140.4118.8-176.1-72.6171.3178.891.7-7.3111.2P375 L378 E426 R432 I433P375-R380 PolarHBondContact O-NH1 2.86Å; L378-R380 PolarHBondContact O-NH1 3.19Å; R380-E426 WeakPolarHBondContact CD-OE2 3.17Å; R380-E426 IonicContact CZ-OE1 3.74Å; R380-E426 VanDerWaalsContact NE-CD 3.25Å; R380-E426 IonicContact NE-OE1 2.75Å; R380-E426 PolarHBondContact NE-OE1 3.29Å; R380-E426 IonicContact NE-OE2 2.72Å; R380-E426 PolarHBondContact NE-OE2 3.29Å; R380-E426 IonicContact NH2-OE1 2.74Å; R380-E426 PolarHBondContact NH2-OE1 3.2Å; R380-R432 HydrophobicContact CB-CB 4.44Å; R380-I433 VanDerWaalsContact CA-O 3.29Å; R380-I433 WeakPolarHBondContact CA-O 3.44Å
381W95.5Very high91.5Very high11 Ų1136 Ų364%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-102.3126.8178.9-68.1124.5000111.5K288 R291 L292 E295 E379 V383 L385 L386 R432 I433 M435K288-W381 HydrophobicContact CB-CZ3 3.86Å; K288-W381 HydrophobicContact CG-CZ3 4.25Å; R291-W381 HydrophobicContact CB-CH2 3.69Å; R291-W381 HydrophobicContact CB-CZ2 4.07Å; L292-W381 HydrophobicContact CB-CD2 4.17Å; L292-W381 HydrophobicContact CB-CE3 4.36Å; L292-W381 HydrophobicContact CB-CH2 4.45Å; L292-W381 HydrophobicContact CB-CZ2 4.2Å; L292-W381 HydrophobicContact CD1-CD2 4.29Å; L292-W381 HydrophobicContact CD1-CG 4.07Å; L292-W381 HydrophobicContact CD2-CD2 4.46Å; L292-W381 HydrophobicContact CD2-CG 4.42Å; E295-W381 WeakPolarHBondContact OE1-CZ2 3.47Å; E295-W381 VanDerWaalsContact OE2-CE2 3.31Å; E295-W381 WeakPolarHBondContact OE2-CZ2 3.45Å; E295-W381 PolarHBondContact OE2-NE1 3.34Å; E379-W381 HydrophobicContact CG-CZ2 4.18Å; W381-V383 PolarHBondContact O-N 2.84Å; W381-L385 HydrophobicContact CE3-CD2 3.77Å; W381-L385 HydrophobicContact CZ3-CD2 4.2Å; W381-L386 HydrophobicContact CB-CD1 3.75Å; W381-L386 HydrophobicContact CB-CG 3.91Å; W381-R432 CarbonylContact O-C 3.44Å; W381-R432 VanDerWaalsContact O-CA 3.31Å; W381-R432 WeakPolarHBondContact O-CA 3.46Å; W381-I433 PolarHBondContact N-O 2.9Å; W381-I433 VanDerWaalsContact N-O 3.12Å; W381-I433 PolarHBondContact O-N 3.16Å; W381-M435 HydrophobicContact CG-SD 4.49Å
382P95.9Very high91.8Very high8 Ų835.2 Ų35.25%0.05219%0.186CC..EExtended strand (participates in β ladder)trans-55.3136171.9-25.935.4000111T384 L385 L386 E430 R432P382-T384 PolarHBondContact O-N 3.27Å; P382-L385 HydrophobicContact CB-CB 4.18Å; P382-L385 WeakPolarHBondContact O-CB 3.48Å; P382-L385 PolarHBondContact O-N 2.97Å; P382-L386 PolarHBondContact O-N 2.78Å; P382-L386 VanDerWaalsContact O-N 3.08Å; P382-E430 HydrophobicContact CB-CG 4.27Å; P382-R432 HydrophobicContact CG-CG 4.44Å
383V97.8Very high92.2Very high11 Ų1134.5 Ų34.57%0.06718%0.182CC..Hα-helixtrans-57.7-38.8-180161.50000111.2W381 L385 L386 E387 L394 Y398 K431 I433W381-V383 PolarHBondContact O-N 2.84Å; V383-L385 VanDerWaalsContact C-N 3.29Å; V383-L385 PolarHBondContact O-N 3.42Å; V383-L386 PolarHBondContact O-N 3.11Å; V383-E387 VanDerWaalsContact O-CB 3.25Å; V383-E387 WeakPolarHBondContact O-CB 3.47Å; V383-E387 PolarHBondContact O-N 3.21Å; V383-L394 HydrophobicContact CG1-CD1 4.28Å; V383-L394 HydrophobicContact CG1-CD2 3.93Å; V383-L394 HydrophobicContact CG2-CD1 4.37Å; V383-Y398 WeakPolarHBondContact CG1-OH 3.48Å; V383-K431 HydrophobicContact CB-CB 4.4Å; V383-K431 HydrophobicContact CB-CD 4.12Å; V383-K431 HydrophobicContact CB-CG 4.26Å; V383-K431 HydrophobicContact CG1-CD 4.16Å; V383-K431 HydrophobicContact CG2-CB 4.33Å; V383-K431 HydrophobicContact CG2-CD 3.87Å; V383-K431 HydrophobicContact CG2-CG 3.77Å; V383-K431 PolarHBondContact N-O 3.14Å; V383-I433 HydrophobicContact CG2-CD1 3.91Å; V383-I433 HydrophobicContact CG2-CG1 4.15Å
384T96.1Very high92.8Very high89 Ų8933.9 Ų33.955%0.54618%0.179SC..Hα-helixtrans-61.6-3317649.40000113.3P382 H388P382-T384 PolarHBondContact O-N 3.27Å; T384-H388 VanDerWaalsContact O-CB 3.3Å; T384-H388 WeakPolarHBondContact O-CB 3.21Å; T384-H388 PolarHBondContact O-N 3.39Å
385L96.5Very high93.4Very high3 Ų335.2 Ų35.22%0.01618%0.184CC..Hα-helixtrans-76.3-41.3177.2-173.871.2000111F285 K288 E289 L292 W381 P382 V383 H388 I389F285-L385 HydrophobicContact CD2-CD1 4.44Å; F285-L385 HydrophobicContact CE1-CD1 4.21Å; F285-L385 HydrophobicContact CE2-CD1 3.64Å; F285-L385 HydrophobicContact CZ-CD1 3.5Å; F285-L385 VanDerWaalsContact CZ-CD1 3.5Å; K288-L385 HydrophobicContact CB-CD2 4.03Å; E289-L385 HydrophobicContact CB-CD1 4.27Å; L292-L385 HydrophobicContact CD2-CD2 3.87Å; L292-L385 HydrophobicContact CD2-CG 3.82Å; W381-L385 HydrophobicContact CE3-CD2 3.77Å; W381-L385 HydrophobicContact CZ3-CD2 4.2Å; P382-L385 HydrophobicContact CB-CB 4.18Å; P382-L385 WeakPolarHBondContact O-CB 3.48Å; P382-L385 PolarHBondContact O-N 2.97Å; V383-L385 VanDerWaalsContact C-N 3.29Å; V383-L385 PolarHBondContact O-N 3.42Å; L385-H388 PolarHBondContact O-N 3.1Å; L385-I389 HydrophobicContact CD1-CD1 3.65Å; L385-I389 HydrophobicContact CG-CD1 3.99Å; L385-I389 WeakPolarHBondContact O-CG1 3.42Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-I389 VanDerWaalsContact O-N 3.13Å
386L97.7Very high94.4Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-65.7-39.3172.8-82.1167.3000112.2L292 L338 W381 P382 V383 L390 L394 I433L292-L386 HydrophobicContact CD1-CD2 3.93Å; L292-L386 HydrophobicContact CD2-CD2 3.98Å; L292-L386 HydrophobicContact CD2-CG 4.24Å; L338-L386 HydrophobicContact CD2-CD2 4.47Å; W381-L386 HydrophobicContact CB-CD1 3.75Å; W381-L386 HydrophobicContact CB-CG 3.91Å; P382-L386 PolarHBondContact O-N 2.78Å; P382-L386 VanDerWaalsContact O-N 3.08Å; V383-L386 PolarHBondContact O-N 3.11Å; L386-L390 HydrophobicContact CD2-CD1 4.17Å; L386-L390 CarbonylContact O-C 3.57Å; L386-L390 VanDerWaalsContact O-CA 3.27Å; L386-L390 WeakPolarHBondContact O-CA 3.49Å; L386-L390 PolarHBondContact O-N 2.86Å; L386-L394 HydrophobicContact CB-CB 4.49Å; L386-L394 HydrophobicContact CB-CD1 4.36Å; L386-I433 HydrophobicContact CD1-CB 3.8Å; L386-I433 HydrophobicContact CD1-CG1 3.42Å; L386-I433 VanDerWaalsContact CD1-CG1 3.42Å
387E97.2Very high95.5Very high115 Ų11526.9 Ų26.954%0.53714%0.139SC..Hα-helixtrans-63.5-42.7174.6-173.8169.4-139.300111.4V383 P391 L394V383-E387 VanDerWaalsContact O-CB 3.25Å; V383-E387 WeakPolarHBondContact O-CB 3.47Å; V383-E387 PolarHBondContact O-N 3.21Å; E387-P391 WeakPolarHBondContact O-CB 3.36Å; E387-P391 WeakPolarHBondContact O-CD 3.26Å; E387-L394 HydrophobicContact CB-CD2 3.64Å; E387-L394 HydrophobicContact CG-CD2 4.27Å
388H95.5Very high96.3Very high98 Ų9828.5 Ų28.545%0.45414%0.136SC..Hα-helixtrans-66.6-36.6179.3-179.549.5000113.5Y201 T384 L385Y201-H388 WeakPolarHBondContact CA-O 3.25Å; Y201-H388 AromaticContact CD1-CD2 3.98Å; Y201-H388 AromaticContact CD1-CE1 3.81Å; Y201-H388 AromaticContact CD1-NE2 3.58Å; Y201-H388 AromaticContact CE1-NE2 3.62Å; T384-H388 VanDerWaalsContact O-CB 3.3Å; T384-H388 WeakPolarHBondContact O-CB 3.21Å; T384-H388 PolarHBondContact O-N 3.39Å; L385-H388 PolarHBondContact O-N 3.1Å
389I97.2Very high96.9Very high0 Ų031.2 Ų31.20%015%0.148CC..Hα-helixtrans-105.7-35-169.2-57.7171.3000112.4F200 Y201 E289 L292 R293 L385F200-I389 HydrophobicContact CB-CG2 4.5Å; F200-I389 HydrophobicContact CD1-CG2 3.81Å; Y201-I389 HydrophobicContact CD1-CG1 4.08Å; Y201-I389 HydrophobicContact CE1-CG1 3.97Å; Y201-I389 PolarHBondContact N-O 3.28Å; E289-I389 HydrophobicContact CB-CD1 4.13Å; E289-I389 HydrophobicContact CG-CD1 3.79Å; L292-I389 HydrophobicContact CD2-CD1 4.16Å; R293-I389 HydrophobicContact CG-CD1 4.45Å; R293-I389 HydrophobicContact CG-CG2 3.91Å; L385-I389 HydrophobicContact CD1-CD1 3.65Å; L385-I389 HydrophobicContact CG-CD1 3.99Å; L385-I389 WeakPolarHBondContact O-CG1 3.42Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-I389 VanDerWaalsContact O-N 3.13Å
390L98.1Very high97.3Very high0 Ų030.7 Ų30.70%015%0.146CC..  trans-139.354-171-58.1176.3000112W214 L292 Y296 L338 L386 R392 H393 L394W214-L390 HydrophobicContact CH2-CD2 4.08Å; W214-L390 HydrophobicContact CZ2-CD2 4.4Å; L292-L390 HydrophobicContact CD1-CD1 4.16Å; Y296-L390 HydrophobicContact CD1-CD2 3.46Å; Y296-L390 VanDerWaalsContact CD1-CD2 3.46Å; Y296-L390 HydrophobicContact CD2-CD1 3.84Å; Y296-L390 HydrophobicContact CD2-CD2 3.79Å; Y296-L390 HydrophobicContact CD2-CG 4.49Å; Y296-L390 HydrophobicContact CE1-CD2 3.71Å; Y296-L390 HydrophobicContact CE2-CD2 4.04Å; Y296-L390 HydrophobicContact CG-CD1 3.84Å; Y296-L390 HydrophobicContact CG-CD2 3.49Å; Y296-L390 VanDerWaalsContact CG-CD2 3.49Å; Y296-L390 HydrophobicContact CG-CG 4.33Å; L338-L390 HydrophobicContact CD1-CD1 3.82Å; L338-L390 HydrophobicContact CD2-CD1 4.48Å; L386-L390 HydrophobicContact CD2-CD1 4.17Å; L386-L390 CarbonylContact O-C 3.57Å; L386-L390 VanDerWaalsContact O-CA 3.27Å; L386-L390 WeakPolarHBondContact O-CA 3.49Å; L386-L390 PolarHBondContact O-N 2.86Å; L390-R392 PolarHBondContact O-N 2.78Å; L390-R392 VanDerWaalsContact O-N 3.1Å; L390-H393 HydrophobicContact CB-CB 4.02Å; L390-H393 PolarHBondContact O-N 2.99Å; L390-L394 PolarHBondContact O-N 2.99Å; L390-L394 VanDerWaalsContact O-N 3.11Å
391P98Very high97.6Very high19 Ų1927.8 Ų27.812%0.12314%0.136CC..Hα-helixtrans-59.6-30.7-170.122.2-33.3000113.7V204 E387 E395V204-P391 HydrophobicContact CG2-CB 4.1Å; V204-P391 HydrophobicContact CG2-CG 4.19Å; E387-P391 WeakPolarHBondContact O-CB 3.36Å; E387-P391 WeakPolarHBondContact O-CD 3.26Å; P391-E395 PolarHBondContact O-N 3.41Å
392R97.1Very high97.7Very high12 Ų1229.7 Ų29.75%0.04515%0.154CC..Hα-helixtrans-72.6-35.3176.2-175.857.4-173.1130.86.1112.8V204 W214 R345 D349 L390 L394 E395 I396V204-R392 HydrophobicContact CG2-CB 3.73Å; W214-R392 HydrophobicContact CB-CB 4.27Å; W214-R392 HydrophobicContact CG-CB 4.28Å; R345-R392 HydrophobicContact CG-CG 3.85Å; D349-R392 IonicContact OD1-CZ 3.27Å; D349-R392 IonicContact OD1-NE 3.52Å; D349-R392 PolarHBondContact OD1-NE 3.43Å; D349-R392 IonicContact OD1-NH2 2.92Å; D349-R392 PolarHBondContact OD1-NH2 3.37Å; D349-R392 WeakPolarHBondContact OD2-CG 3.29Å; D349-R392 IonicContact OD2-CZ 2.71Å; D349-R392 IonicContact OD2-NE 3.68Å; D349-R392 PolarHBondContact OD2-NE 3.42Å; D349-R392 IonicContact OD2-NH2 2.92Å; L390-R392 PolarHBondContact O-N 2.78Å; L390-R392 VanDerWaalsContact O-N 3.1Å; R392-L394 VanDerWaalsContact C-N 3.34Å; R392-E395 IonicContact NH1-OE2 3.85Å; R392-E395 PolarHBondContact NH1-OE2 3.37Å; R392-E395 WeakPolarHBondContact O-CB 3.49Å; R392-E395 PolarHBondContact O-N 2.94Å; R392-I396 HydrophobicContact CG-CD1 4.2Å; R392-I396 WeakPolarHBondContact O-CG1 3.48Å; R392-I396 PolarHBondContact O-N 3.37Å; R392-I396 VanDerWaalsContact O-N 3.15Å
393H98.5Very high97.8Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-72-33177.8-54.977.3000111.2W214 Y296 P341 E342 L390 I396 I397W214-H393 AromaticContact CH2-CE1 3.89Å; W214-H393 AromaticContact CZ3-CE1 3.64Å; Y296-H393 AromaticContact CE2-CD2 3.84Å; Y296-H393 AromaticContact CE2-CE1 3.51Å; Y296-H393 AromaticContact CE2-NE2 3.25Å; Y296-H393 WeakPolarHBondContact CE2-NE2 3.43Å; Y296-H393 AromaticContact CZ-CE1 3.54Å; Y296-H393 AromaticContact CZ-NE2 3.62Å; Y296-H393 PolarHBondContact OH-CE1 3.43Å; Y296-H393 VanDerWaalsContact OH-CE1 3.25Å; Y296-H393 PolarHBondContact OH-NE2 3.26Å; P341-H393 HydrophobicContact CB-CB 4.32Å; E342-H393 IonicContact OE2-CD2 2.72Å; E342-H393 IonicContact OE2-CE1 3.28Å; E342-H393 IonicContact OE2-NE2 3.63Å; E342-H393 PolarHBondContact OE2-NE2 3Å; L390-H393 HydrophobicContact CB-CB 4.02Å; L390-H393 PolarHBondContact O-N 2.99Å; H393-I396 PolarHBondContact O-N 2.84Å; H393-I397 WeakPolarHBondContact O-CB 3.24Å; H393-I397 WeakPolarHBondContact O-CD1 3.17Å; H393-I397 WeakPolarHBondContact O-CG1 3.3Å; H393-I397 PolarHBondContact O-N 2.84Å
394L98.6Very high97.8Very high6 Ų633.1 Ų33.13%0.03117%0.168CC..Hα-helixtrans-62.1-43.6171.7-179.162.6000112.2V383 L386 E387 L390 R392 I396 I397 Y398 I433V383-L394 HydrophobicContact CG1-CD1 4.28Å; V383-L394 HydrophobicContact CG1-CD2 3.93Å; V383-L394 HydrophobicContact CG2-CD1 4.37Å; L386-L394 HydrophobicContact CB-CB 4.49Å; L386-L394 HydrophobicContact CB-CD1 4.36Å; E387-L394 HydrophobicContact CB-CD2 3.64Å; E387-L394 HydrophobicContact CG-CD2 4.27Å; L390-L394 PolarHBondContact O-N 2.99Å; L390-L394 VanDerWaalsContact O-N 3.11Å; R392-L394 VanDerWaalsContact C-N 3.34Å; L394-I396 VanDerWaalsContact C-N 3.34Å; L394-I396 PolarHBondContact O-N 2.73Å; L394-I397 PolarHBondContact O-N 3.44Å; L394-Y398 HydrophobicContact CD1-CD2 4.21Å; L394-Y398 HydrophobicContact CD1-CE1 4.41Å; L394-Y398 HydrophobicContact CD1-CE2 3.71Å; L394-Y398 HydrophobicContact CD2-CE2 4.01Å; L394-Y398 HydrophobicContact CG-CD2 3.98Å; L394-Y398 HydrophobicContact CG-CE2 3.56Å; L394-Y398 VanDerWaalsContact O-CD2 3.31Å; L394-Y398 WeakPolarHBondContact O-CD2 3.24Å; L394-Y398 PolarHBondContact O-N 3.45Å; L394-I433 HydrophobicContact CD1-CD1 4.24Å; L394-I433 HydrophobicContact CD1-CG1 4.26Å
395E97.7Very high97.9Very high44 Ų4429.6 Ų29.621%0.20615%0.146CC..Hα-helixtrans-56.6-46.6170.6-82.9150.277.100112.5V204 R212 P391 R392 I397 Y398 Q399V204-E395 WeakPolarHBondContact CB-OE1 3.42Å; V204-E395 WeakPolarHBondContact CG1-OE1 3.39Å; V204-E395 WeakPolarHBondContact CG2-OE1 3.46Å; R212-E395 IonicContact CZ-OE1 2.96Å; R212-E395 VanDerWaalsContact CZ-OE1 3.24Å; R212-E395 IonicContact CZ-OE2 2.76Å; R212-E395 IonicContact NE-OE1 3.24Å; R212-E395 PolarHBondContact NE-OE1 3.09Å; R212-E395 IonicContact NE-OE2 3.52Å; R212-E395 PolarHBondContact NE-OE2 3.3Å; R212-E395 VanDerWaalsContact NH2-CD 3.34Å; R212-E395 IonicContact NH2-OE1 2.67Å; R212-E395 PolarHBondContact NH2-OE1 3.17Å; R212-E395 IonicContact NH2-OE2 2.7Å; R212-E395 PolarHBondContact NH2-OE2 2.91Å; P391-E395 PolarHBondContact O-N 3.41Å; R392-E395 IonicContact NH1-OE2 3.85Å; R392-E395 PolarHBondContact NH1-OE2 3.37Å; R392-E395 WeakPolarHBondContact O-CB 3.49Å; R392-E395 PolarHBondContact O-N 2.94Å; E395-I397 VanDerWaalsContact C-N 3.34Å; E395-I397 PolarHBondContact O-N 3.27Å; E395-Y398 PolarHBondContact O-N 3.34Å; E395-Q399 PolarHBondContact O-N 2.96Å
396I98.4Very high98Very high0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-63.9-42-179.8-69.5170000110.1P341 L344 R345 W355 R392 H393 L394 Q399 I400P341-I396 HydrophobicContact CB-CB 4.21Å; P341-I396 HydrophobicContact CB-CG2 3.6Å; L344-I396 HydrophobicContact CB-CG2 3.96Å; L344-I396 HydrophobicContact CD1-CG2 3.96Å; R345-I396 HydrophobicContact CB-CD1 3.51Å; R345-I396 HydrophobicContact CG-CD1 3.87Å; W355-I396 HydrophobicContact CH2-CG2 3.84Å; W355-I396 HydrophobicContact CZ3-CG1 4.34Å; W355-I396 HydrophobicContact CZ3-CG2 3.98Å; R392-I396 HydrophobicContact CG-CD1 4.2Å; R392-I396 WeakPolarHBondContact O-CG1 3.48Å; R392-I396 PolarHBondContact O-N 3.37Å; R392-I396 VanDerWaalsContact O-N 3.15Å; H393-I396 PolarHBondContact O-N 2.84Å; L394-I396 VanDerWaalsContact C-N 3.34Å; L394-I396 PolarHBondContact O-N 2.73Å; I396-Q399 PolarHBondContact O-N 3.3Å; I396-I400 HydrophobicContact CG2-CD1 4.13Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.09Å; I396-I400 PolarHBondContact O-N 3.32Å
397I98.8Very high97.9Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-62.8-40.5174.1-70.3162.1000111.3L338 P341 H393 L394 E395 I400 N401 I433 L438L338-I397 HydrophobicContact CD2-CD1 4.35Å; P341-I397 HydrophobicContact CB-CG1 4.19Å; P341-I397 HydrophobicContact CG-CD1 4.29Å; P341-I397 HydrophobicContact CG-CG1 4.2Å; H393-I397 WeakPolarHBondContact O-CB 3.24Å; H393-I397 WeakPolarHBondContact O-CD1 3.17Å; H393-I397 WeakPolarHBondContact O-CG1 3.3Å; H393-I397 PolarHBondContact O-N 2.84Å; L394-I397 PolarHBondContact O-N 3.44Å; E395-I397 VanDerWaalsContact C-N 3.34Å; E395-I397 PolarHBondContact O-N 3.27Å; I397-I400 PolarHBondContact O-N 3.29Å; I397-N401 WeakPolarHBondContact O-CB 3.41Å; I397-N401 PolarHBondContact O-N 3.2Å; I397-I433 HydrophobicContact CD1-CG2 4.47Å; I397-I433 HydrophobicContact CG2-CD1 3.89Å; I397-I433 HydrophobicContact CG2-CG1 4.2Å; I397-I433 HydrophobicContact CG2-CG2 3.83Å; I397-L438 HydrophobicContact CD1-CD2 4.19Å; I397-L438 HydrophobicContact CG1-CD1 4.34Å; I397-L438 HydrophobicContact CG1-CD2 4.18Å
398Y98.6Very high98Very high82 Ų8231.7 Ų31.732%0.32216%0.163SC..Hα-helixtrans-65-38.2174-74.3-44.6000112.8V383 L394 E395 N401 A402 V425 K431V383-Y398 WeakPolarHBondContact CG1-OH 3.48Å; L394-Y398 HydrophobicContact CD1-CD2 4.21Å; L394-Y398 HydrophobicContact CD1-CE1 4.41Å; L394-Y398 HydrophobicContact CD1-CE2 3.71Å; L394-Y398 HydrophobicContact CD2-CE2 4.01Å; L394-Y398 HydrophobicContact CG-CD2 3.98Å; L394-Y398 HydrophobicContact CG-CE2 3.56Å; L394-Y398 VanDerWaalsContact O-CD2 3.31Å; L394-Y398 WeakPolarHBondContact O-CD2 3.24Å; L394-Y398 PolarHBondContact O-N 3.45Å; E395-Y398 PolarHBondContact O-N 3.34Å; Y398-N401 PolarHBondContact O-N 2.75Å; Y398-A402 WeakPolarHBondContact O-CB 3.34Å; Y398-A402 PolarHBondContact O-N 3Å; Y398-V425 HydrophobicContact CD1-CG2 3.8Å; Y398-V425 HydrophobicContact CE1-CG1 4.27Å; Y398-V425 HydrophobicContact CE1-CG2 3.71Å; Y398-K431 VanDerWaalsContact OH-CE 3.25Å; Y398-K431 WeakPolarHBondContact OH-CE 3.42Å
399Q98Very high98Very high67 Ų6732.3 Ų32.331%0.31316%0.162SC..Hα-helixtrans-67-43.4175-173.3172.9-6.600111.8W355 E395 I396 N401 A402 E403W355-Q399 HydrophobicContact CD2-CG 4.32Å; W355-Q399 VanDerWaalsContact CD2-NE2 3.26Å; W355-Q399 VanDerWaalsContact CG-NE2 3.27Å; W355-Q399 HydrophobicContact CH2-CB 3.9Å; W355-Q399 HydrophobicContact CH2-CG 3.97Å; W355-Q399 HydrophobicContact CZ2-CB 3.97Å; W355-Q399 HydrophobicContact CZ2-CG 3.62Å; W355-Q399 HydrophobicContact CZ3-CB 4.49Å; W355-Q399 HydrophobicContact CZ3-CG 4.47Å; E395-Q399 PolarHBondContact O-N 2.96Å; I396-Q399 PolarHBondContact O-N 3.3Å; Q399-N401 VanDerWaalsContact C-N 3.28Å; Q399-N401 PolarHBondContact O-N 3.29Å; Q399-A402 PolarHBondContact O-N 2.88Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.44Å; Q399-E403 PolarHBondContact NE2-OE1 2.97Å; Q399-E403 PolarHBondContact O-N 3.33Å
400I98.7Very high98Very high5 Ų536.5 Ų36.53%0.02620%0.196CC..Hα-helixtrans-55.8-46.3171.8-64.7165.4000110I340 L344 W355 W359 I396 I397 F404 L424 L438 V441I340-I400 HydrophobicContact CG2-CD1 4.26Å; L344-I400 HydrophobicContact CD1-CD1 3.7Å; L344-I400 HydrophobicContact CD1-CG1 4.15Å; W355-I400 HydrophobicContact CH2-CG1 3.91Å; W355-I400 HydrophobicContact CZ2-CG1 3.91Å; W359-I400 HydrophobicContact CE3-CG1 4.28Å; W359-I400 HydrophobicContact CH2-CG1 4.37Å; W359-I400 HydrophobicContact CH2-CG2 3.83Å; W359-I400 HydrophobicContact CZ3-CB 4.42Å; W359-I400 HydrophobicContact CZ3-CD1 3.92Å; W359-I400 HydrophobicContact CZ3-CG1 3.65Å; W359-I400 HydrophobicContact CZ3-CG2 3.97Å; I396-I400 HydrophobicContact CG2-CD1 4.13Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.09Å; I396-I400 PolarHBondContact O-N 3.32Å; I397-I400 PolarHBondContact O-N 3.29Å; I400-F404 WeakPolarHBondContact O-CB 3.31Å; I400-F404 PolarHBondContact O-N 3.26Å; I400-L424 HydrophobicContact CB-CD2 4.48Å; I400-L424 HydrophobicContact CG2-CD2 3.83Å; I400-L438 HydrophobicContact CD1-CD1 3.95Å; I400-V441 HydrophobicContact CG2-CG1 3.89Å
401N98.7Very high97.9Very high14 Ų1442 Ų428%0.07522%0.22CC..Hα-helixtrans-64.5-42.7179.9-165.851.1000112.2I397 Y398 Q399 F404 L405 S423 L424 V425I397-N401 WeakPolarHBondContact O-CB 3.41Å; I397-N401 PolarHBondContact O-N 3.2Å; Y398-N401 PolarHBondContact O-N 2.75Å; Q399-N401 VanDerWaalsContact C-N 3.28Å; Q399-N401 PolarHBondContact O-N 3.29Å; N401-F404 PolarHBondContact O-N 2.95Å; N401-L405 WeakPolarHBondContact O-CB 3.3Å; N401-L405 VanDerWaalsContact O-CG 3.25Å; N401-L405 WeakPolarHBondContact O-CG 3.3Å; N401-L405 PolarHBondContact O-N 3.03Å; N401-S423 PolarHBondContact ND2-OG 3.44Å; N401-S423 VanDerWaalsContact ND2-OG 3.15Å; N401-S423 WeakPolarHBondContact OD1-CA 3.13Å; N401-S423 PolarHBondContact OD1-OG 3.39Å; N401-L424 HydrophobicContact CB-CB 4.28Å; N401-L424 HydrophobicContact CB-CD1 4.38Å; N401-L424 WeakPolarHBondContact OD1-CD1 3.49Å; N401-L424 PolarHBondContact OD1-N 3.3Å; N401-V425 HydrophobicContact CB-CG2 4.35Å; N401-V425 WeakPolarHBondContact ND2-CG2 3.16Å
402A98.3Very high97.8Very high50 Ų5043.6 Ų43.641%0.41322%0.224SC..Hα-helixtrans-60.7-53.2178.600000111.7Y398 Q399 F404 L405 D406Y398-A402 WeakPolarHBondContact O-CB 3.34Å; Y398-A402 PolarHBondContact O-N 3Å; Q399-A402 PolarHBondContact O-N 2.88Å; A402-F404 VanDerWaalsContact C-N 3.32Å; A402-F404 PolarHBondContact O-N 3.24Å; A402-L405 PolarHBondContact O-N 3.33Å; A402-D406 PolarHBondContact O-N 3.02Å; A402-D406 VanDerWaalsContact O-N 3.13Å
403E98.2Very high97.5Very high81 Ų8147.3 Ų47.338%0.37925%0.249SC..Hα-helixtrans-66.5-34.1-179.6-68177.2-157.600112W355 Q399 V407W355-E403 VanDerWaalsContact CD1-OE1 3.25Å; W355-E403 PolarHBondContact NE1-OE1 3.31Å; W355-E403 PolarHBondContact NE1-OE2 3.18Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.44Å; Q399-E403 PolarHBondContact NE2-OE1 2.97Å; Q399-E403 PolarHBondContact O-N 3.33Å; E403-V407 PolarHBondContact O-N 3.39Å
404F98.5Very high97.3Very high10 Ų1054.5 Ų54.54%0.04429%0.287CS..Hα-helixtrans-68.1-43.9173.7176-116.7000112.8I400 N401 A402 D406 V407 V408 M422 L424 V441 F465 L468 W469I400-F404 WeakPolarHBondContact O-CB 3.31Å; I400-F404 PolarHBondContact O-N 3.26Å; N401-F404 PolarHBondContact O-N 2.95Å; A402-F404 VanDerWaalsContact C-N 3.32Å; A402-F404 PolarHBondContact O-N 3.24Å; F404-D406 PolarHBondContact O-N 2.94Å; F404-V407 WeakPolarHBondContact O-CA 3.33Å; F404-V407 WeakPolarHBondContact O-CB 3.44Å; F404-V407 PolarHBondContact O-N 2.93Å; F404-V408 HydrophobicContact CD1-CG2 4.4Å; F404-V408 HydrophobicContact CE1-CG2 3.96Å; F404-V408 HydrophobicContact CE2-CG2 4.12Å; F404-V408 HydrophobicContact CZ-CG2 3.82Å; F404-V408 PolarHBondContact O-N 3.36Å; F404-M422 HydrophobicContact CE1-CB 4.17Å; F404-M422 WeakPolarHBondContact CE1-O 3.42Å; F404-M422 HydrophobicContact CZ-CE 3.92Å; F404-L424 HydrophobicContact CD1-CD1 3.63Å; F404-L424 HydrophobicContact CE1-CD1 4.2Å; F404-L424 HydrophobicContact CG-CD1 4.37Å; F404-V441 HydrophobicContact CB-CG1 4.06Å; F404-V441 HydrophobicContact CD1-CG1 4.48Å; F404-V441 HydrophobicContact CD1-CG2 3.9Å; F404-V441 HydrophobicContact CD2-CG1 3.85Å; F404-V441 HydrophobicContact CD2-CG2 3.93Å; F404-V441 HydrophobicContact CE1-CG2 3.72Å; F404-V441 HydrophobicContact CE2-CG1 4.44Å; F404-V441 HydrophobicContact CE2-CG2 3.77Å; F404-V441 HydrophobicContact CG-CG1 3.86Å; F404-V441 HydrophobicContact CG-CG2 3.99Å; F404-V441 HydrophobicContact CZ-CG2 3.65Å; F404-F465 AromaticContact CE1-CE1 3.78Å; F404-F465 HydrophobicContact CE1-CE1 3.78Å; F404-F465 AromaticContact CZ-CD1 3.93Å; F404-F465 HydrophobicContact CZ-CD1 3.93Å; F404-F465 AromaticContact CZ-CE1 3.6Å; F404-F465 HydrophobicContact CZ-CE1 3.6Å; F404-L468 HydrophobicContact CE2-CD2 3.65Å; F404-L468 HydrophobicContact CZ-CD2 4.06Å; F404-W469 AromaticContact CD2-CH2 3.8Å; F404-W469 HydrophobicContact CD2-CH2 3.8Å; F404-W469 HydrophobicContact CD2-CZ2 4.3Å; F404-W469 AromaticContact CE2-CH2 3.34Å; F404-W469 HydrophobicContact CE2-CH2 3.34Å; F404-W469 AromaticContact CE2-CZ2 3.91Å; F404-W469 HydrophobicContact CE2-CZ2 3.91Å; F404-W469 AromaticContact CE2-CZ3 3.89Å; F404-W469 HydrophobicContact CE2-CZ3 3.89Å; F404-W469 HydrophobicContact CZ-CH2 4.34Å; F404-W469 HydrophobicContact CZ-CZ3 4.5Å
405L98Very high97.1Very high15 Ų1556.5 Ų56.58%0.07930%0.298CS..Hα-helixtrans-66.3-26178.1-70.9-175.5000112.3N401 A402 V408 R409 I419N401-L405 WeakPolarHBondContact O-CB 3.3Å; N401-L405 VanDerWaalsContact O-CG 3.25Å; N401-L405 WeakPolarHBondContact O-CG 3.3Å; N401-L405 PolarHBondContact O-N 3.03Å; A402-L405 PolarHBondContact O-N 3.33Å; L405-V408 HydrophobicContact CD2-CG2 4.43Å; L405-V408 PolarHBondContact O-N 3.17Å; L405-R409 WeakPolarHBondContact O-CB 3.21Å; L405-R409 WeakPolarHBondContact O-CD 3.4Å; L405-R409 WeakPolarHBondContact O-CG 3.06Å; L405-R409 PolarHBondContact O-N 3.05Å; L405-I419 HydrophobicContact CD1-CG2 4.24Å; L405-I419 HydrophobicContact CD2-CG2 4.05Å; L405-I419 WeakPolarHBondContact CD2-O 3.35Å
406D97.6Very high96.8Very high90 Ų9060 Ų6048%0.48132%0.318SS..Hα-helixtrans-69-34169.2-73.5-21000112.8A402 F404 R409 A410A402-D406 PolarHBondContact O-N 3.02Å; A402-D406 VanDerWaalsContact O-N 3.13Å; F404-D406 PolarHBondContact O-N 2.94Å; D406-R409 WeakPolarHBondContact OD1-CD 3.32Å; D406-R409 IonicContact OD1-CZ 2.72Å; D406-R409 IonicContact OD1-NH1 3.66Å; D406-R409 PolarHBondContact OD1-NH1 3.35Å; D406-A410 VanDerWaalsContact O-CB 3.29Å; D406-A410 WeakPolarHBondContact O-CB 3.46Å; D406-A410 PolarHBondContact O-N 3.03Å
407V97Very high96.6Very high72 Ų7264.9 Ų64.944%0.43635%0.345SS..Hα-helixtrans-65.2-40169177.10000111.2E403 F404 A410 K411E403-V407 PolarHBondContact O-N 3.39Å; F404-V407 WeakPolarHBondContact O-CA 3.33Å; F404-V407 WeakPolarHBondContact O-CB 3.44Å; F404-V407 PolarHBondContact O-N 2.93Å; V407-A410 PolarHBondContact O-N 3.06Å; V407-K411 WeakPolarHBondContact O-CB 3.38Å; V407-K411 PolarHBondContact O-N 3.02Å; V407-K411 VanDerWaalsContact O-N 3.14Å
408V97.7Very high96.4Very high0 Ų066.2 Ų66.20%035%0.35CS..Hα-helixtrans-64.7-47.3175.7179.20000110.9F404 L405 A410 K411 W412 I419 M422 L468F404-V408 HydrophobicContact CD1-CG2 4.4Å; F404-V408 HydrophobicContact CE1-CG2 3.96Å; F404-V408 HydrophobicContact CE2-CG2 4.12Å; F404-V408 HydrophobicContact CZ-CG2 3.82Å; F404-V408 PolarHBondContact O-N 3.36Å; L405-V408 HydrophobicContact CD2-CG2 4.43Å; L405-V408 PolarHBondContact O-N 3.17Å; V408-A410 PolarHBondContact O-N 3.01Å; V408-K411 PolarHBondContact O-N 3.28Å; V408-K411 VanDerWaalsContact O-N 3.1Å; V408-W412 HydrophobicContact CG1-CE3 4.11Å; V408-W412 PolarHBondContact O-N 3.15Å; V408-I419 HydrophobicContact CG1-CG1 3.82Å; V408-M422 HydrophobicContact CG1-SD 3.82Å; V408-M422 HydrophobicContact CG2-CB 4.35Å; V408-M422 HydrophobicContact CG2-CE 4.02Å; V408-M422 HydrophobicContact CG2-SD 3.97Å; V408-L468 HydrophobicContact CG2-CD2 4.44Å
409R96.7Very high96.1Very high112 Ų11263.1 Ų63.142%0.42334%0.339SS..Hα-helixtrans-58.5-42.3175.4-74.2163.9-175.9140.35.4112.7L405 D406 K411 W412 P413 I419L405-R409 WeakPolarHBondContact O-CB 3.21Å; L405-R409 WeakPolarHBondContact O-CD 3.4Å; L405-R409 WeakPolarHBondContact O-CG 3.06Å; L405-R409 PolarHBondContact O-N 3.05Å; D406-R409 WeakPolarHBondContact OD1-CD 3.32Å; D406-R409 IonicContact OD1-CZ 2.72Å; D406-R409 IonicContact OD1-NH1 3.66Å; D406-R409 PolarHBondContact OD1-NH1 3.35Å; R409-K411 VanDerWaalsContact C-N 3.25Å; R409-K411 PolarHBondContact O-N 3.34Å; R409-W412 CarbonylContact O-C 3.45Å; R409-P413 WeakPolarHBondContact O-CA 3.47Å; R409-P413 VanDerWaalsContact O-N 3.15Å; R409-I419 HydrophobicContact CG-CD1 3.53Å; R409-I419 HydrophobicContact CG-CG1 4.29Å
410A96.4Very high96Very high87 Ų8766.8 Ų66.872%0.71935%0.349SS*.Hα-helixtrans-67.3-26.4177.600000112.8D406 V407 V408D406-A410 VanDerWaalsContact O-CB 3.29Å; D406-A410 WeakPolarHBondContact O-CB 3.46Å; D406-A410 PolarHBondContact O-N 3.03Å; V407-A410 PolarHBondContact O-N 3.06Å; V408-A410 PolarHBondContact O-N 3.01Å
411K95.9Very high95.8Very high117 Ų11771.5 Ų71.551%0.50937%0.367SS..Hα-helixtrans-85.5-40177.2-176.867.4-179-176.10113V407 V408 R409 L468V407-K411 WeakPolarHBondContact O-CB 3.38Å; V407-K411 PolarHBondContact O-N 3.02Å; V407-K411 VanDerWaalsContact O-N 3.14Å; V408-K411 PolarHBondContact O-N 3.28Å; V408-K411 VanDerWaalsContact O-N 3.1Å; R409-K411 VanDerWaalsContact C-N 3.25Å; R409-K411 PolarHBondContact O-N 3.34Å; K411-L468 HydrophobicContact CB-CD1 4.09Å; K411-L468 HydrophobicContact CD-CD1 4.45Å; K411-L468 HydrophobicContact CG-CD1 3.86Å
412W96.1Very high95.7Very high52 Ų5270.8 Ų70.820%0.19736%0.363CS..SBendtrans-135.276.7-177.5-62-76.1000110.9V408 R409 N414 D415 R418 M422 E467 L468V408-W412 HydrophobicContact CG1-CE3 4.11Å; V408-W412 PolarHBondContact O-N 3.15Å; R409-W412 CarbonylContact O-C 3.45Å; W412-N414 PolarHBondContact O-N 3.48Å; W412-D415 HydrophobicContact CB-CB 4.04Å; W412-D415 PolarHBondContact O-N 3.31Å; W412-R418 HydrophobicContact CE3-CG 4.43Å; W412-M422 HydrophobicContact CZ3-CE 4.25Å; W412-M422 HydrophobicContact CZ3-SD 3.92Å; W412-E467 HydrophobicContact CH2-CB 4.22Å; W412-E467 HydrophobicContact CZ2-CB 4.09Å; W412-L468 HydrophobicContact CH2-CB 3.77Å; W412-L468 HydrophobicContact CH2-CD1 4.13Å; W412-L468 HydrophobicContact CZ3-CB 4.02Å; W412-L468 HydrophobicContact CZ3-CD1 3.87Å; W412-L468 HydrophobicContact CZ3-CG 4.41Å
413P92.2Very high95.7Very high89 Ų8968.9 Ų68.958%0.57835%0.347SS*.THydrogen-bonded Turntrans-63.5133.9175.526.3-34000110.3R409R409-P413 WeakPolarHBondContact O-CA 3.47Å; R409-P413 VanDerWaalsContact O-N 3.15Å
414N92.5Very high95.7Very high151 Ų15165 Ų6581%0.80733%0.329SS*.THydrogen-bonded Turntrans71.713.1-178.9-31.4-81.7000116.7W412 D416W412-N414 PolarHBondContact O-N 3.48Å; N414-D416 PolarHBondContact O-N 3.18Å
415D95.1Very high95.7Very high49 Ų4964.7 Ų64.726%0.26233%0.328SS..  trans-95.668.8167.2-169.2-10.5000109.9W412 D417 R418 I419W412-D415 HydrophobicContact CB-CB 4.04Å; W412-D415 PolarHBondContact O-N 3.31Å; D415-D417 VanDerWaalsContact C-N 3.25Å; D415-D417 PolarHBondContact O-N 2.99Å; D415-R418 HydrophobicContact CB-CB 4Å; D415-R418 WeakPolarHBondContact O-CB 3.32Å; D415-R418 PolarHBondContact O-N 3.17Å; D415-R418 VanDerWaalsContact O-N 3.1Å; D415-R418 WeakPolarHBondContact OD1-CB 3.39Å; D415-R418 PolarHBondContact OD1-N 2.93Å; D415-R418 WeakPolarHBondContact OD2-CB 3.35Å; D415-R418 WeakPolarHBondContact OD2-CD 3.2Å; D415-R418 IonicContact OD2-CZ 2.68Å; D415-R418 IonicContact OD2-NE 2.78Å; D415-R418 PolarHBondContact OD2-NE 3.27Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 2.95Å
416D91.3Very high95.6Very high116 Ų11666.1 Ų66.162%0.6233%0.334SS*.Hα-helixtrans-63.6-30-176.9-73.1-40.5000112.7N414 I419 R420N414-D416 PolarHBondContact O-N 3.18Å; D416-I419 PolarHBondContact O-N 2.81Å; D416-R420 WeakPolarHBondContact O-CB 3.44Å; D416-R420 PolarHBondContact O-N 3.21Å
417D94.1Very high95.3Very high104 Ų10467.4 Ų67.456%0.55634%0.337SS*.Hα-helixtrans-66.3-37.7172.8-77.9-38.9000111.7D415 R420 R421D415-D417 VanDerWaalsContact C-N 3.25Å; D415-D417 PolarHBondContact O-N 2.99Å; D417-R420 PolarHBondContact O-N 3.34Å; D417-R421 WeakPolarHBondContact O-CG 3.4Å; D417-R421 PolarHBondContact O-N 3.45Å; D417-R421 PolarHBondContact O-NH1 3.24Å
418R94.5Very high94.9Very high28 Ų2870.3 Ų70.311%0.10635%0.346CS..Hα-helixtrans-69.3-40.2172.5-178.5-177.2-67.2-105-4.3112W412 D415 R420 R421 M422 D464 E467W412-R418 HydrophobicContact CE3-CG 4.43Å; D415-R418 HydrophobicContact CB-CB 4Å; D415-R418 WeakPolarHBondContact O-CB 3.32Å; D415-R418 PolarHBondContact O-N 3.17Å; D415-R418 VanDerWaalsContact O-N 3.1Å; D415-R418 WeakPolarHBondContact OD1-CB 3.39Å; D415-R418 PolarHBondContact OD1-N 2.93Å; D415-R418 WeakPolarHBondContact OD2-CB 3.35Å; D415-R418 WeakPolarHBondContact OD2-CD 3.2Å; D415-R418 IonicContact OD2-CZ 2.68Å; D415-R418 IonicContact OD2-NE 2.78Å; D415-R418 PolarHBondContact OD2-NE 3.27Å; R418-R420 VanDerWaalsContact C-N 3.26Å; R418-R420 PolarHBondContact O-N 3.27Å; R418-R421 PolarHBondContact O-N 3.1Å; R418-M422 HydrophobicContact CG-CG 4.14Å; R418-M422 HydrophobicContact CG-SD 3.59Å; R418-M422 VanDerWaalsContact CG-SD 3.59Å; R418-M422 WeakPolarHBondContact O-CB 3.47Å; R418-M422 VanDerWaalsContact O-CG 3.26Å; R418-M422 WeakPolarHBondContact O-CG 3.23Å; R418-M422 PolarHBondContact O-N 2.96Å; R418-D464 HydrophobicContact CG-CB 4.41Å; R418-D464 IonicContact CZ-OD1 2.85Å; R418-D464 VanDerWaalsContact CZ-OD1 3.27Å; R418-D464 IonicContact NE-OD1 2.72Å; R418-D464 IonicContact NH1-OD1 3.4Å; R418-D464 PolarHBondContact NH1-OD1 3.08Å; R418-D464 IonicContact NH2-OD1 3.23Å; R418-E467 IonicContact CZ-OE2 3.74Å; R418-E467 VanDerWaalsContact CZ-OE2 3.3Å; R418-E467 IonicContact NH1-OE2 2.79Å; R418-E467 PolarHBondContact NH1-OE2 3.39Å; R418-E467 IonicContact NH2-OE2 3.16Å; R418-E467 PolarHBondContact NH2-OE2 3.2Å
419I93.7Very high94.5Very high17 Ų1774.3 Ų74.39%0.08739%0.387CS..Hα-helixtrans-56.2-43.9173-69.5166.1000110L405 V408 R409 D415 D416 S423L405-I419 HydrophobicContact CD1-CG2 4.24Å; L405-I419 HydrophobicContact CD2-CG2 4.05Å; L405-I419 WeakPolarHBondContact CD2-O 3.35Å; V408-I419 HydrophobicContact CG1-CG1 3.82Å; R409-I419 HydrophobicContact CG-CD1 3.53Å; R409-I419 HydrophobicContact CG-CG1 4.29Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 2.95Å; D416-I419 PolarHBondContact O-N 2.81Å; I419-S423 PolarHBondContact O-N 3.22Å; I419-S423 VanDerWaalsContact O-N 3.13Å
420R94.1Very high94.3Very high143 Ų14373.1 Ų73.154%0.5439%0.386SS..Hα-helixtrans-62.9-49.1173.2176.8179.6175.3167.6-2.2113D416 D417 R418 M422 S423 E428D416-R420 WeakPolarHBondContact O-CB 3.44Å; D416-R420 PolarHBondContact O-N 3.21Å; D417-R420 PolarHBondContact O-N 3.34Å; R418-R420 VanDerWaalsContact C-N 3.26Å; R418-R420 PolarHBondContact O-N 3.27Å; R420-M422 VanDerWaalsContact C-N 3.28Å; R420-M422 PolarHBondContact O-N 2.81Å; R420-S423 PolarHBondContact O-N 2.92Å; R420-E428 IonicContact CZ-OE1 2.69Å; R420-E428 VanDerWaalsContact CZ-OE1 3.31Å; R420-E428 IonicContact NE-OE1 2.84Å; R420-E428 PolarHBondContact NE-OE1 2.71Å; R420-E428 VanDerWaalsContact NE-OE1 3.12Å; R420-E428 VanDerWaalsContact NH2-CD 3.29Å; R420-E428 IonicContact NH2-OE1 3.24Å; R420-E428 PolarHBondContact NH2-OE1 3.09Å
421R94.8Very high94.3Very high104 Ų10472.2 Ų72.239%0.39237%0.366SS..Hα-helixtrans-65-26.8179.8-71.6-170.9-43-83.51.6114D417 R418 Y437 D464D417-R421 WeakPolarHBondContact O-CG 3.4Å; D417-R421 PolarHBondContact O-N 3.45Å; D417-R421 PolarHBondContact O-NH1 3.24Å; R418-R421 PolarHBondContact O-N 3.1Å; R421-Y437 VanDerWaalsContact O-CE2 3.28Å; R421-Y437 WeakPolarHBondContact O-CE2 3.21Å; R421-Y437 PolarHBondContact O-OH 2.89Å; R421-D464 IonicContact CZ-OD1 3.85Å; R421-D464 IonicContact CZ-OD2 3.05Å; R421-D464 IonicContact NE-OD1 2.92Å; R421-D464 IonicContact NE-OD2 3.61Å; R421-D464 PolarHBondContact NE-OD2 3.11Å; R421-D464 VanDerWaalsContact NH2-CG 3.35Å; R421-D464 IonicContact NH2-OD1 3.3Å; R421-D464 PolarHBondContact NH2-OD1 3.02Å; R421-D464 IonicContact NH2-OD2 3.27Å; R421-D464 PolarHBondContact NH2-OD2 2.86Å
422M97.3Very high94.4Very high0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-94.5-16-178.7-64-177.377.900113.8F404 V408 W412 R418 R420 L424 D464 F465 L468F404-M422 HydrophobicContact CE1-CB 4.17Å; F404-M422 WeakPolarHBondContact CE1-O 3.42Å; F404-M422 HydrophobicContact CZ-CE 3.92Å; V408-M422 HydrophobicContact CG1-SD 3.82Å; V408-M422 HydrophobicContact CG2-CB 4.35Å; V408-M422 HydrophobicContact CG2-CE 4.02Å; V408-M422 HydrophobicContact CG2-SD 3.97Å; W412-M422 HydrophobicContact CZ3-CE 4.25Å; W412-M422 HydrophobicContact CZ3-SD 3.92Å; R418-M422 HydrophobicContact CG-CG 4.14Å; R418-M422 HydrophobicContact CG-SD 3.59Å; R418-M422 VanDerWaalsContact CG-SD 3.59Å; R418-M422 WeakPolarHBondContact O-CB 3.47Å; R418-M422 VanDerWaalsContact O-CG 3.26Å; R418-M422 WeakPolarHBondContact O-CG 3.23Å; R418-M422 PolarHBondContact O-N 2.96Å; R420-M422 VanDerWaalsContact C-N 3.28Å; R420-M422 PolarHBondContact O-N 2.81Å; M422-L424 PolarHBondContact O-N 2.91Å; M422-D464 HydrophobicContact CE-CB 4.26Å; M422-D464 WeakPolarHBondContact CE-O 3.39Å; M422-D464 HydrophobicContact CG-CB 3.6Å; M422-D464 HydrophobicContact SD-CB 3.7Å; M422-F465 HydrophobicContact CB-CE1 4.5Å; M422-F465 HydrophobicContact CB-CZ 4.21Å; M422-F465 HydrophobicContact CE-CD1 4.02Å; M422-F465 HydrophobicContact CE-CE1 4.37Å; M422-F465 HydrophobicContact CE-CG 4.23Å; M422-F465 WeakPolarHBondContact O-CZ 3.4Å; M422-L468 HydrophobicContact CE-CB 4.09Å; M422-L468 HydrophobicContact CE-CD2 3.81Å
423S98.3Very high94.5Very high10 Ų1068.2 Ų68.27%0.0735%0.348CS..  trans-55.3131.5178.51770000111.7N401 I419 R420 V425 Y437N401-S423 PolarHBondContact ND2-OG 3.44Å; N401-S423 VanDerWaalsContact ND2-OG 3.15Å; N401-S423 WeakPolarHBondContact OD1-CA 3.13Å; N401-S423 PolarHBondContact OD1-OG 3.39Å; I419-S423 PolarHBondContact O-N 3.22Å; I419-S423 VanDerWaalsContact O-N 3.13Å; R420-S423 PolarHBondContact O-N 2.92Å; S423-V425 WeakPolarHBondContact CB-O 3.46Å; S423-V425 PolarHBondContact O-N 2.79Å; S423-V425 VanDerWaalsContact O-N 3.15Å; S423-V425 PolarHBondContact OG-N 2.89Å; S423-V425 VanDerWaalsContact OG-N 3.09Å; S423-V425 PolarHBondContact OG-O 3.15Å; S423-Y437 WeakPolarHBondContact O-CD2 3.05Å
424L98.1Very high94.7Very high0 Ų064 Ų640%032%0.32CS..SBendtrans-61.5-19.4170.5-72.271.6000111.6I400 N401 F404 M422 I433 N434 L438 V441I400-L424 HydrophobicContact CB-CD2 4.48Å; I400-L424 HydrophobicContact CG2-CD2 3.83Å; N401-L424 HydrophobicContact CB-CB 4.28Å; N401-L424 HydrophobicContact CB-CD1 4.38Å; N401-L424 WeakPolarHBondContact OD1-CD1 3.49Å; N401-L424 PolarHBondContact OD1-N 3.3Å; F404-L424 HydrophobicContact CD1-CD1 3.63Å; F404-L424 HydrophobicContact CE1-CD1 4.2Å; F404-L424 HydrophobicContact CG-CD1 4.37Å; M422-L424 PolarHBondContact O-N 2.91Å; L424-I433 CarbonylContact O-C 3.48Å; L424-I433 WeakPolarHBondContact O-CA 3.43Å; L424-N434 PolarHBondContact O-N 2.97Å; L424-L438 HydrophobicContact CD2-CB 4.16Å; L424-L438 HydrophobicContact CD2-CD1 3.82Å; L424-V441 HydrophobicContact CD1-CB 4.43Å; L424-V441 HydrophobicContact CD1-CG2 3.99Å
425V98Very high94.9Very high3 Ų356.8 Ų56.82%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-102111179.4-173.60000108.6Y398 N401 S423 E427 K431 R432 I433Y398-V425 HydrophobicContact CD1-CG2 3.8Å; Y398-V425 HydrophobicContact CE1-CG1 4.27Å; Y398-V425 HydrophobicContact CE1-CG2 3.71Å; N401-V425 HydrophobicContact CB-CG2 4.35Å; N401-V425 WeakPolarHBondContact ND2-CG2 3.16Å; S423-V425 WeakPolarHBondContact CB-O 3.46Å; S423-V425 PolarHBondContact O-N 2.79Å; S423-V425 VanDerWaalsContact O-N 3.15Å; S423-V425 PolarHBondContact OG-N 2.89Å; S423-V425 VanDerWaalsContact OG-N 3.09Å; S423-V425 PolarHBondContact OG-O 3.15Å; V425-E427 WeakPolarHBondContact CG1-OE1 3.43Å; V425-K431 HydrophobicContact CG1-CD 4.4Å; V425-K431 HydrophobicContact CG1-CG 4.02Å; V425-R432 CarbonylContact C-O 3.59Å; V425-R432 WeakPolarHBondContact CA-O 3.42Å; V425-I433 HydrophobicContact CB-CD1 4.34Å; V425-I433 HydrophobicContact CG1-CD1 4.41Å; V425-I433 HydrophobicContact CG2-CD1 3.75Å
426E95.6Very high95Very high45 Ų4554.5 Ų54.521%0.2127%0.269CS..EExtended strand (participates in β ladder)trans-82.1116.7171.2-65.4180175.500108.7R380 K431 R432 N434R380-E426 WeakPolarHBondContact CD-OE2 3.17Å; R380-E426 IonicContact CZ-OE1 3.74Å; R380-E426 VanDerWaalsContact NE-CD 3.25Å; R380-E426 IonicContact NE-OE1 2.75Å; R380-E426 PolarHBondContact NE-OE1 3.29Å; R380-E426 IonicContact NE-OE2 2.72Å; R380-E426 PolarHBondContact NE-OE2 3.29Å; R380-E426 IonicContact NH2-OE1 2.74Å; R380-E426 PolarHBondContact NH2-OE1 3.2Å; E426-K431 WeakPolarHBondContact O-CA 3.46Å; E426-R432 HydrophobicContact CB-CB 4.41Å; E426-R432 PolarHBondContact N-O 3.12Å; E426-R432 PolarHBondContact O-N 3.08Å; E426-N434 HydrophobicContact CG-CB 4.32Å; E426-N434 PolarHBondContact OE1-ND2 2.98Å
427E93Very high95.3Very high116 Ų11650.8 Ų50.854%0.54225%0.247SC..  trans-92-1-176.5-60.6-68.5175.900113.6V425 K431V425-E427 WeakPolarHBondContact CG1-OE1 3.43Å; E427-K431 IonicContact OE1-NZ 3.27Å; E427-K431 PolarHBondContact OE1-NZ 3.15Å; E427-K431 IonicContact OE2-NZ 2.98Å; E427-K431 PolarHBondContact OE2-NZ 2.88Å
428E87.1Confident95.5Very high134 Ų13445.8 Ų45.863%0.62622%0.22SC*.SBendtrans-87.8113.5-172.7-71.8-178.3-148.900112.7R420 E430R420-E428 IonicContact CZ-OE1 2.69Å; R420-E428 VanDerWaalsContact CZ-OE1 3.31Å; R420-E428 IonicContact NE-OE1 2.84Å; R420-E428 PolarHBondContact NE-OE1 2.71Å; R420-E428 VanDerWaalsContact NE-OE1 3.12Å; R420-E428 VanDerWaalsContact NH2-CD 3.29Å; R420-E428 IonicContact NH2-OE1 3.24Å; R420-E428 PolarHBondContact NH2-OE1 3.09Å; E428-E430 PolarHBondContact O-N 3.06Å
429G90.4Very high95.7Very high84 Ų8444.5 Ų44.587%0.86622%0.215SC*.SBendtrans77.3-110.1179.300000112
430E92.6Very high96Very high86 Ų8643.7 Ų43.740%0.40221%0.211SC..SBendtrans-85.5112.1171.6-179.9-171.5-134.200108.8P382 E428 R432P382-E430 HydrophobicContact CB-CG 4.27Å; E428-E430 PolarHBondContact O-N 3.06Å; E430-R432 VanDerWaalsContact O-CD 3.27Å; E430-R432 WeakPolarHBondContact O-CD 3.49Å; E430-R432 VanDerWaalsContact O-CG 3.25Å; E430-R432 WeakPolarHBondContact O-CG 3.25Å; E430-R432 PolarHBondContact O-N 3.42Å; E430-R432 IonicContact OE2-CZ 3.56Å; E430-R432 VanDerWaalsContact OE2-CZ 3.22Å; E430-R432 IonicContact OE2-NE 3.28Å; E430-R432 PolarHBondContact OE2-NE 3.23Å; E430-R432 IonicContact OE2-NH2 3.32Å; E430-R432 PolarHBondContact OE2-NH2 2.67Å
431K96.5Very high96.2Very high68 Ų6837 Ų3730%0.29619%0.186SC..  trans-52.8123.3-179.8-167.5-168.6-176.6870111.4V383 Y398 V425 E426 E427V383-K431 HydrophobicContact CB-CB 4.4Å; V383-K431 HydrophobicContact CB-CD 4.12Å; V383-K431 HydrophobicContact CB-CG 4.26Å; V383-K431 HydrophobicContact CG1-CD 4.16Å; V383-K431 HydrophobicContact CG2-CB 4.33Å; V383-K431 HydrophobicContact CG2-CD 3.87Å; V383-K431 HydrophobicContact CG2-CG 3.77Å; V383-K431 PolarHBondContact N-O 3.14Å; Y398-K431 VanDerWaalsContact OH-CE 3.25Å; Y398-K431 WeakPolarHBondContact OH-CE 3.42Å; V425-K431 HydrophobicContact CG1-CD 4.4Å; V425-K431 HydrophobicContact CG1-CG 4.02Å; E426-K431 WeakPolarHBondContact O-CA 3.46Å; E427-K431 IonicContact OE1-NZ 3.27Å; E427-K431 PolarHBondContact OE1-NZ 3.15Å; E427-K431 IonicContact OE2-NZ 2.98Å; E427-K431 PolarHBondContact OE2-NZ 2.88Å
432R96.8Very high96.4Very high85 Ų8532 Ų3232%0.32117%0.167SC..EExtended strand (participates in β ladder)trans-133.7157.3-172.6-78154-175.2-179.44.9112.2R380 W381 P382 V425 E426 E430R380-R432 HydrophobicContact CB-CB 4.44Å; W381-R432 CarbonylContact O-C 3.44Å; W381-R432 VanDerWaalsContact O-CA 3.31Å; W381-R432 WeakPolarHBondContact O-CA 3.46Å; P382-R432 HydrophobicContact CG-CG 4.44Å; V425-R432 CarbonylContact C-O 3.59Å; V425-R432 WeakPolarHBondContact CA-O 3.42Å; E426-R432 HydrophobicContact CB-CB 4.41Å; E426-R432 PolarHBondContact N-O 3.12Å; E426-R432 PolarHBondContact O-N 3.08Å; E430-R432 VanDerWaalsContact O-CD 3.27Å; E430-R432 WeakPolarHBondContact O-CD 3.49Å; E430-R432 VanDerWaalsContact O-CG 3.25Å; E430-R432 WeakPolarHBondContact O-CG 3.25Å; E430-R432 PolarHBondContact O-N 3.42Å; E430-R432 IonicContact OE2-CZ 3.56Å; E430-R432 VanDerWaalsContact OE2-CZ 3.22Å; E430-R432 IonicContact OE2-NE 3.28Å; E430-R432 PolarHBondContact OE2-NE 3.23Å; E430-R432 IonicContact OE2-NH2 3.32Å; E430-R432 PolarHBondContact OE2-NH2 2.67Å
433I97.9Very high96.4Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-99.1130.7166.7-55.5-53.7000109R380 W381 V383 L386 L394 I397 L424 V425 M435R380-I433 VanDerWaalsContact CA-O 3.29Å; R380-I433 WeakPolarHBondContact CA-O 3.44Å; W381-I433 PolarHBondContact N-O 2.9Å; W381-I433 VanDerWaalsContact N-O 3.12Å; W381-I433 PolarHBondContact O-N 3.16Å; V383-I433 HydrophobicContact CG2-CD1 3.91Å; V383-I433 HydrophobicContact CG2-CG1 4.15Å; L386-I433 HydrophobicContact CD1-CB 3.8Å; L386-I433 HydrophobicContact CD1-CG1 3.42Å; L386-I433 VanDerWaalsContact CD1-CG1 3.42Å; L394-I433 HydrophobicContact CD1-CD1 4.24Å; L394-I433 HydrophobicContact CD1-CG1 4.26Å; I397-I433 HydrophobicContact CD1-CG2 4.47Å; I397-I433 HydrophobicContact CG2-CD1 3.89Å; I397-I433 HydrophobicContact CG2-CG1 4.2Å; I397-I433 HydrophobicContact CG2-CG2 3.83Å; L424-I433 CarbonylContact O-C 3.48Å; L424-I433 WeakPolarHBondContact O-CA 3.43Å; V425-I433 HydrophobicContact CB-CD1 4.34Å; V425-I433 HydrophobicContact CG1-CD1 4.41Å; V425-I433 HydrophobicContact CG2-CD1 3.75Å; I433-M435 HydrophobicContact CB-SD 4.07Å; I433-M435 HydrophobicContact CG2-SD 3.66Å
434N96.9Very high96.4Very high1 Ų133.8 Ų33.81%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-88.3110.6174.5-172.7-53.9000110.2L424 E426 A436 Y437 L438L424-N434 PolarHBondContact O-N 2.97Å; E426-N434 HydrophobicContact CG-CB 4.32Å; E426-N434 PolarHBondContact OE1-ND2 2.98Å; N434-A436 PolarHBondContact O-N 3.1Å; N434-A436 PolarHBondContact OD1-N 2.78Å; N434-Y437 HydrophobicContact CB-CD1 4.5Å; N434-Y437 HydrophobicContact CB-CD2 3.82Å; N434-Y437 HydrophobicContact CB-CE2 4.38Å; N434-Y437 HydrophobicContact CB-CG 3.89Å; N434-Y437 PolarHBondContact O-N 3.17Å; N434-Y437 WeakPolarHBondContact OD1-CD1 3.48Å; N434-Y437 PolarHBondContact OD1-N 2.94Å; N434-L438 PolarHBondContact O-N 2.74Å; N434-L438 VanDerWaalsContact O-N 3.14Å
435M97.6Very high96.4Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-76.1-25.6-170.3-52.8-48-68.800112.6S337 L338 E379 W381 I433 L438 C439S337-M435 WeakPolarHBondContact OG-CE 3.41Å; L338-M435 HydrophobicContact CD2-CE 3.77Å; L338-M435 HydrophobicContact CG-CE 3.97Å; E379-M435 HydrophobicContact CB-CB 4.14Å; E379-M435 HydrophobicContact CB-CG 4.25Å; E379-M435 HydrophobicContact CG-CB 4.25Å; E379-M435 HydrophobicContact CG-CG 3.93Å; E379-M435 WeakPolarHBondContact O-CG 3.43Å; E379-M435 PolarHBondContact O-N 3.01Å; E379-M435 WeakPolarHBondContact OE1-CB 3.4Å; E379-M435 WeakPolarHBondContact OE1-CG 3.47Å; W381-M435 HydrophobicContact CG-SD 4.49Å; I433-M435 HydrophobicContact CB-SD 4.07Å; I433-M435 HydrophobicContact CG2-SD 3.66Å; M435-L438 HydrophobicContact CE-CD2 3.79Å; M435-L438 PolarHBondContact O-N 2.89Å; M435-C439 PolarHBondContact O-N 2.91Å
436A97Very high96.5Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-68.5-39.7171.300000111.6T334 L378 N434 C439 I440 F462T334-A436 HydrophobicContact CG2-CB 3.88Å; L378-A436 HydrophobicContact CD2-CB 3.93Å; N434-A436 PolarHBondContact O-N 3.1Å; N434-A436 PolarHBondContact OD1-N 2.78Å; A436-C439 WeakPolarHBondContact O-CB 3.29Å; A436-C439 PolarHBondContact O-N 3.4Å; A436-I440 WeakPolarHBondContact O-CD1 3.46Å; A436-I440 VanDerWaalsContact O-CG1 3.25Å; A436-I440 WeakPolarHBondContact O-CG1 3.48Å; A436-I440 PolarHBondContact O-N 2.72Å; A436-F462 HydrophobicContact CB-CE1 4.14Å; A436-F462 HydrophobicContact CB-CZ 3.89Å
437Y98Very high96.6Very high38 Ų3832.2 Ų32.215%0.14917%0.168CC..Hα-helixtrans-65.3-40.5175.1-66.52.8000111.3R421 S423 N434 C439 I440 V441 F462 F465R421-Y437 VanDerWaalsContact O-CE2 3.28Å; R421-Y437 WeakPolarHBondContact O-CE2 3.21Å; R421-Y437 PolarHBondContact O-OH 2.89Å; S423-Y437 WeakPolarHBondContact O-CD2 3.05Å; N434-Y437 HydrophobicContact CB-CD1 4.5Å; N434-Y437 HydrophobicContact CB-CD2 3.82Å; N434-Y437 HydrophobicContact CB-CE2 4.38Å; N434-Y437 HydrophobicContact CB-CG 3.89Å; N434-Y437 PolarHBondContact O-N 3.17Å; N434-Y437 WeakPolarHBondContact OD1-CD1 3.48Å; N434-Y437 PolarHBondContact OD1-N 2.94Å; Y437-C439 PolarHBondContact O-N 2.87Å; Y437-I440 PolarHBondContact O-N 3.37Å; Y437-V441 WeakPolarHBondContact O-CB 3.46Å; Y437-V441 WeakPolarHBondContact O-CG2 3.5Å; Y437-V441 PolarHBondContact O-N 2.83Å; Y437-F462 HydrophobicContact CD1-CD1 4.25Å; Y437-F462 HydrophobicContact CD1-CE1 4.09Å; Y437-F462 AromaticContact CE1-CD1 3.87Å; Y437-F462 HydrophobicContact CE1-CD1 3.87Å; Y437-F462 AromaticContact CE1-CE1 3.87Å; Y437-F462 HydrophobicContact CE1-CE1 3.87Å; Y437-F465 AromaticContact CD1-CE2 3.65Å; Y437-F465 HydrophobicContact CD1-CE2 3.65Å; Y437-F465 AromaticContact CD1-CZ 3.78Å; Y437-F465 HydrophobicContact CD1-CZ 3.78Å; Y437-F465 HydrophobicContact CD2-CE2 4.06Å; Y437-F465 AromaticContact CD2-CZ 3.68Å; Y437-F465 HydrophobicContact CD2-CZ 3.68Å; Y437-F465 AromaticContact CE1-CE2 3.6Å; Y437-F465 HydrophobicContact CE1-CE2 3.6Å; Y437-F465 HydrophobicContact CE1-CZ 4.14Å; Y437-F465 HydrophobicContact CE2-CE2 4.01Å; Y437-F465 HydrophobicContact CE2-CZ 4.05Å; Y437-F465 AromaticContact CG-CE2 3.9Å; Y437-F465 HydrophobicContact CG-CE2 3.9Å; Y437-F465 AromaticContact CG-CZ 3.54Å; Y437-F465 HydrophobicContact CG-CZ 3.54Å; Y437-F465 AromaticContact CZ-CE2 3.78Å
438L98.7Very high96.7Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-57-47.2172178.561.9000111.6I340 P341 I397 I400 L424 N434 M435 V441 G442I340-L438 HydrophobicContact CG2-CD1 4.2Å; P341-L438 HydrophobicContact CG-CD2 4.23Å; I397-L438 HydrophobicContact CD1-CD2 4.19Å; I397-L438 HydrophobicContact CG1-CD1 4.34Å; I397-L438 HydrophobicContact CG1-CD2 4.18Å; I400-L438 HydrophobicContact CD1-CD1 3.95Å; L424-L438 HydrophobicContact CD2-CB 4.16Å; L424-L438 HydrophobicContact CD2-CD1 3.82Å; N434-L438 PolarHBondContact O-N 2.74Å; N434-L438 VanDerWaalsContact O-N 3.14Å; M435-L438 HydrophobicContact CE-CD2 3.79Å; M435-L438 PolarHBondContact O-N 2.89Å; L438-V441 PolarHBondContact O-N 3.23Å; L438-G442 PolarHBondContact O-N 3.15Å
439C98.6Very high97.2Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-59.9-44.1174.3-78.80000113.1S337 Y368 M435 A436 Y437 S443S337-C439 WeakPolarHBondContact CB-SG 3.39Å; Y368-C439 HydrophobicContact CD1-CB 3.53Å; Y368-C439 HydrophobicContact CD2-CB 3.72Å; Y368-C439 HydrophobicContact CE1-CB 3.71Å; Y368-C439 HydrophobicContact CE2-CB 3.91Å; Y368-C439 HydrophobicContact CG-CB 3.55Å; M435-C439 PolarHBondContact O-N 2.91Å; A436-C439 WeakPolarHBondContact O-CB 3.29Å; A436-C439 PolarHBondContact O-N 3.4Å; Y437-C439 PolarHBondContact O-N 2.87Å; C439-S443 WeakPolarHBondContact O-CB 3.42Å; C439-S443 PolarHBondContact O-N 3.27Å; C439-S443 VanDerWaalsContact O-N 3.16Å; C439-S443 PolarHBondContact O-OG 2.99Å
440I98.5Very high97.4Very high0 Ų016.4 Ų16.40%07%0.072CC..Hα-helixtrans-66.2-37.5179.9-70.3163.2000111.8Y368 A436 Y437 V446 F462 F465 K472 F473Y368-I440 HydrophobicContact CD1-CG1 4.08Å; Y368-I440 HydrophobicContact CE1-CG1 3.94Å; A436-I440 WeakPolarHBondContact O-CD1 3.46Å; A436-I440 VanDerWaalsContact O-CG1 3.25Å; A436-I440 WeakPolarHBondContact O-CG1 3.48Å; A436-I440 PolarHBondContact O-N 2.72Å; Y437-I440 PolarHBondContact O-N 3.37Å; I440-V446 HydrophobicContact CB-CG2 4.39Å; I440-V446 HydrophobicContact CG1-CG1 4.41Å; I440-V446 HydrophobicContact CG1-CG2 4.12Å; I440-V446 HydrophobicContact CG2-CG2 4.41Å; I440-F462 HydrophobicContact CD1-CB 4.18Å; I440-F462 HydrophobicContact CD1-CD1 3.53Å; I440-F462 HydrophobicContact CD1-CD2 3.61Å; I440-F462 HydrophobicContact CD1-CE1 3.69Å; I440-F462 HydrophobicContact CD1-CE2 3.74Å; I440-F462 HydrophobicContact CD1-CG 3.5Å; I440-F462 HydrophobicContact CD1-CZ 3.8Å; I440-F465 HydrophobicContact CG2-CB 3.95Å; I440-F465 HydrophobicContact CG2-CD1 3.64Å; I440-F465 HydrophobicContact CG2-CE1 4.33Å; I440-F465 HydrophobicContact CG2-CG 3.9Å; I440-K472 WeakPolarHBondContact O-CE 3.41Å; I440-K472 PolarHBondContact O-NZ 3.2Å; I440-F473 HydrophobicContact CD1-CZ 4.35Å; I440-F473 HydrophobicContact CG1-CZ 4.41Å; I440-F473 HydrophobicContact CG2-CE2 4.36Å; I440-F473 HydrophobicContact CG2-CZ 3.87Å
441V98.7Very high97.5Very high2 Ų214.3 Ų14.31%0.0127%0.07CC..Hα-helixtrans-78.8-44.4-179.2173.50000111.2W359 Y363 I400 F404 L424 Y437 L438 F465 W469 K472W359-V441 HydrophobicContact CH2-CG1 4.13Å; W359-V441 HydrophobicContact CZ2-CG1 4.33Å; Y363-V441 WeakPolarHBondContact CE2-O 3.39Å; I400-V441 HydrophobicContact CG2-CG1 3.89Å; F404-V441 HydrophobicContact CB-CG1 4.06Å; F404-V441 HydrophobicContact CD1-CG1 4.48Å; F404-V441 HydrophobicContact CD1-CG2 3.9Å; F404-V441 HydrophobicContact CD2-CG1 3.85Å; F404-V441 HydrophobicContact CD2-CG2 3.93Å; F404-V441 HydrophobicContact CE1-CG2 3.72Å; F404-V441 HydrophobicContact CE2-CG1 4.44Å; F404-V441 HydrophobicContact CE2-CG2 3.77Å; F404-V441 HydrophobicContact CG-CG1 3.86Å; F404-V441 HydrophobicContact CG-CG2 3.99Å; F404-V441 HydrophobicContact CZ-CG2 3.65Å; L424-V441 HydrophobicContact CD1-CB 4.43Å; L424-V441 HydrophobicContact CD1-CG2 3.99Å; Y437-V441 WeakPolarHBondContact O-CB 3.46Å; Y437-V441 WeakPolarHBondContact O-CG2 3.5Å; Y437-V441 PolarHBondContact O-N 2.83Å; L438-V441 PolarHBondContact O-N 3.23Å; V441-F465 HydrophobicContact CG2-CD1 4.43Å; V441-F465 HydrophobicContact CG2-CE1 3.92Å; V441-W469 HydrophobicContact CG1-CH2 4.4Å; V441-W469 HydrophobicContact CG2-CH2 4.29Å; V441-W469 HydrophobicContact CG2-CZ3 4.18Å; V441-K472 PolarHBondContact O-NZ 3.17Å
442G98.6Very high97.4Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-87.1-2.3-174.700000117.6L438L438-G442 PolarHBondContact O-N 3.15Å
443S98.7Very high97.2Very high0 Ų08.8 Ų8.80%05%0.049CC..SBendtrans-100.5152.5174.1-55.90000111.8Y363 F366 Y368 C439 T445 K472Y363-S443 VanDerWaalsContact CE2-O 3.24Å; Y363-S443 WeakPolarHBondContact CE2-O 3.41Å; F366-S443 CarbonylContact O-C 3.42Å; F366-S443 WeakPolarHBondContact O-CA 3.5Å; F366-S443 WeakPolarHBondContact O-CB 3.43Å; Y368-S443 WeakPolarHBondContact CB-OG 3.39Å; C439-S443 WeakPolarHBondContact O-CB 3.42Å; C439-S443 PolarHBondContact O-N 3.27Å; C439-S443 VanDerWaalsContact O-N 3.16Å; C439-S443 PolarHBondContact O-OG 2.99Å; S443-T445 WeakPolarHBondContact CB-O 3.37Å; S443-K472 WeakPolarHBondContact O-CE 3.48Å; S443-K472 PolarHBondContact O-NZ 3.09Å
444H98.2Very high97.1Very high47 Ų479.2 Ų9.222%0.2185%0.052CC..SBendtrans-76.4-23.4171.767.6-74.5000113.5Y363 F366 A367 I820Y363-H444 HydrophobicContact CD1-CB 3.97Å; Y363-H444 HydrophobicContact CE1-CB 3.74Å; Y363-H444 WeakPolarHBondContact O-CB 3.2Å; Y363-H444 PolarHBondContact O-N 3.34Å; F366-H444 PolarHBondContact O-N 3.34Å; F366-H444 PolarHBondContact O-ND1 2.93Å; A367-H444 VanDerWaalsContact CB-CE1 3.5Å; A367-H444 WeakPolarHBondContact CB-CE1 3.29Å; H444-I820 PolarHBondContact CE1-O 3.04Å; H444-I820 PolarHBondContact NE2-O 3.34Å
445T98.2Very high97Very high15 Ų1514.4 Ų14.49%0.0928%0.076CC..EExtended strand (participates in β ladder)trans-141.1149-177.9410000112A367 Y368 S443A367-T445 WeakPolarHBondContact CB-OG1 3.39Å; Y368-T445 PolarHBondContact N-O 2.86Å; S443-T445 WeakPolarHBondContact CB-O 3.37Å
446V98.4Very high96.8Very high0 Ų015 Ų150%08%0.079CC..EExtended strand (participates in β ladder)trans-128.3125.8177.5-1800000108.9Y368 I440 K472 F473 Q474Y368-V446 HydrophobicContact CD1-CG1 3.88Å; Y368-V446 HydrophobicContact CD1-CG2 4.23Å; Y368-V446 HydrophobicContact CE1-CG1 4.38Å; Y368-V446 CarbonylContact O-C 3.34Å; Y368-V446 WeakPolarHBondContact O-CA 3.44Å; I440-V446 HydrophobicContact CB-CG2 4.39Å; I440-V446 HydrophobicContact CG1-CG1 4.41Å; I440-V446 HydrophobicContact CG1-CG2 4.12Å; I440-V446 HydrophobicContact CG2-CG2 4.41Å; V446-K472 HydrophobicContact CG2-CG 4.21Å; V446-K472 PolarHBondContact N-O 2.82Å; V446-F473 HydrophobicContact CB-CD1 3.99Å; V446-F473 HydrophobicContact CB-CE1 4.16Å; V446-F473 HydrophobicContact CB-CG 4.33Å; V446-F473 HydrophobicContact CG1-CD1 3.69Å; V446-F473 HydrophobicContact CG1-CE1 3.67Å; V446-F473 HydrophobicContact CG1-CZ 4.46Å; V446-F473 CarbonylContact O-C 3.48Å; V446-F473 WeakPolarHBondContact O-CA 3.36Å; V446-Q474 PolarHBondContact O-N 2.71Å
447N98.1Very high96.7Very high1 Ų115.1 Ų15.11%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-112.2138.4-179.1-17657.3000113.4Y368 T369 N370 Q474 N475 K476 Y816 I820Y368-N447 PolarHBondContact O-N 2.76Å; T369-N447 HydrophobicContact CG2-CB 4.28Å; N370-N447 PolarHBondContact N-O 2.83Å; N447-Q474 HydrophobicContact CB-CG 4.35Å; N447-Q474 PolarHBondContact OD1-O 2.98Å; N447-N475 VanDerWaalsContact OD1-CA 3.31Å; N447-N475 WeakPolarHBondContact OD1-CA 3.3Å; N447-K476 PolarHBondContact ND2-O 2.9Å; N447-K476 WeakPolarHBondContact OD1-CB 3.32Å; N447-K476 WeakPolarHBondContact OD1-CG 3.36Å; N447-K476 PolarHBondContact OD1-N 3.39Å; N447-Y816 PolarHBondContact ND2-OH 3.09Å; N447-I820 HydrophobicContact CB-CD1 4.15Å
448G96.5Very high96.6Very high1 Ų117.3 Ų17.31%0.019%0.09CC..EExtended strand (participates in β ladder)trans-105.2145.3164.300000113.1S454 Q474 N475 K476G448-S454 WeakPolarHBondContact CA-OG 3.3Å; G448-S454 PolarHBondContact O-OG 3.39Å; G448-S454 VanDerWaalsContact O-OG 3.11Å; G448-Q474 PolarHBondContact N-O 3.1Å; G448-N475 WeakPolarHBondContact O-CA 3.43Å; G448-N475 PolarHBondContact O-ND2 3.14Å; G448-K476 PolarHBondContact O-N 3.32Å; G448-K476 VanDerWaalsContact O-N 3.16Å
449V95.8Very high96.4Very high1 Ų120.2 Ų20.21%0.00611%0.108CC..SBendtrans-95.93-163.4-64.60000117.1T369 H453 T477 N478 A669 S670T369-V449 HydrophobicContact CG2-CG1 3.42Å; T369-V449 VanDerWaalsContact CG2-CG1 3.42Å; V449-H453 PolarHBondContact N-CD2 3.46Å; V449-H453 VanDerWaalsContact N-CD2 3.32Å; V449-T477 CarbonylContact O-C 3.55Å; V449-T477 VanDerWaalsContact O-CA 3.26Å; V449-T477 WeakPolarHBondContact O-CA 3.15Å; V449-N478 WeakPolarHBondContact CB-OD1 3.48Å; V449-N478 WeakPolarHBondContact CG1-OD1 3.36Å; V449-N478 PolarHBondContact O-N 2.85Å; V449-A669 HydrophobicContact CG2-CB 3.87Å; V449-S670 VanDerWaalsContact O-CB 3.23Å; V449-S670 WeakPolarHBondContact O-CB 3.22Å; V449-S670 PolarHBondContact O-OG 2.96Å
450A94.8Very high96.1Very high0 Ų024.7 Ų24.70%013%0.129CC..SBendtrans-151.7160.3162.600000108.5I452 H453 S454 N475 T477 A669 E694A450-I452 PolarHBondContact O-N 2.93Å; A450-H453 HydrophobicContact CB-CB 4.22Å; A450-H453 PolarHBondContact O-N 3.36Å; A450-S454 WeakPolarHBondContact O-CB 3.3Å; A450-S454 PolarHBondContact O-N 3.35Å; A450-S454 PolarHBondContact O-OG 3.44Å; A450-N475 PolarHBondContact O-ND2 3.47Å; A450-T477 HydrophobicContact CB-CG2 4.49Å; A450-A669 VanDerWaalsContact CB-O 3.3Å; A450-A669 WeakPolarHBondContact CB-O 3.37Å; A450-E694 VanDerWaalsContact CA-OE2 3.3Å; A450-E694 WeakPolarHBondContact CA-OE2 3.47Å; A450-E694 WeakPolarHBondContact CB-OE2 3.37Å
451A95Very high95.8Very high42 Ų4226.3 Ų26.335%0.34714%0.139SC..Hα-helixtrans-57.8-50.7-177.500000111.9S454 H455 E694A451-S454 PolarHBondContact O-N 3.1Å; A451-H455 PolarHBondContact O-N 3.32Å; A451-E694 HydrophobicContact CB-CG 4.19Å; A451-E694 PolarHBondContact N-OE2 3.18Å
452I93.6Very high95.6Very high34 Ų3426.3 Ų26.317%0.17414%0.139CC..Hα-helixtrans-65.8-42.2179-168.8168.2000112.7A450 S454 H455 L456 G690 V693 V711A450-I452 PolarHBondContact O-N 2.93Å; I452-S454 VanDerWaalsContact C-N 3.33Å; I452-S454 PolarHBondContact O-N 2.9Å; I452-H455 WeakPolarHBondContact O-CB 3.49Å; I452-H455 PolarHBondContact O-N 2.75Å; I452-H455 VanDerWaalsContact O-N 3.16Å; I452-L456 HydrophobicContact CG1-CD1 4.44Å; I452-L456 WeakPolarHBondContact O-CG 3.23Å; I452-L456 PolarHBondContact O-N 3.16Å; I452-G690 VanDerWaalsContact CG2-O 3.31Å; I452-G690 WeakPolarHBondContact CG2-O 3.45Å; I452-V693 HydrophobicContact CD1-CG2 4.17Å; I452-V693 HydrophobicContact CG2-CG2 4.19Å; I452-V711 HydrophobicContact CD1-CG2 3.71Å
453H93.9Very high95.5Very high2 Ų231 Ų311%0.00916%0.159CC..Hα-helixtrans-58.1-46.3173169.786000111.2N370 V449 A450 H455 L456 L457 A669N370-H453 PolarHBondContact O-NE2 2.96Å; V449-H453 PolarHBondContact N-CD2 3.46Å; V449-H453 VanDerWaalsContact N-CD2 3.32Å; A450-H453 HydrophobicContact CB-CB 4.22Å; A450-H453 PolarHBondContact O-N 3.36Å; H453-H455 VanDerWaalsContact C-N 3.25Å; H453-H455 PolarHBondContact O-N 3Å; H453-L456 PolarHBondContact O-N 3.01Å; H453-L456 VanDerWaalsContact O-N 3.14Å; H453-L457 WeakPolarHBondContact O-CG 3.31Å; H453-L457 PolarHBondContact O-N 3.05Å; H453-A669 WeakPolarHBondContact CB-O 3.46Å; H453-A669 WeakPolarHBondContact CE1-CB 3.42Å; H453-A669 WeakPolarHBondContact ND1-CA 3.46Å; H453-A669 WeakPolarHBondContact ND1-CB 3.36Å
454S95.8Very high95.5Very high10 Ų1032 Ų327%0.0716%0.164CC..Hα-helixtrans-65-29.2178.6-49.70000112.8G448 A450 A451 I452 K458 N475G448-S454 WeakPolarHBondContact CA-OG 3.3Å; G448-S454 PolarHBondContact O-OG 3.39Å; G448-S454 VanDerWaalsContact O-OG 3.11Å; A450-S454 WeakPolarHBondContact O-CB 3.3Å; A450-S454 PolarHBondContact O-N 3.35Å; A450-S454 PolarHBondContact O-OG 3.44Å; A451-S454 PolarHBondContact O-N 3.1Å; I452-S454 VanDerWaalsContact C-N 3.33Å; I452-S454 PolarHBondContact O-N 2.9Å; S454-K458 WeakPolarHBondContact O-CG 3.45Å; S454-K458 PolarHBondContact O-N 2.96Å; S454-N475 WeakPolarHBondContact OG-CB 3.43Å; S454-N475 PolarHBondContact OG-ND2 2.98Å; S454-N475 VanDerWaalsContact OG-ND2 3.14Å
455H95.5Very high95.5Very high110 Ų11029.9 Ų29.951%0.50916%0.155SC..Hα-helixtrans-68.9-49.8169.9179.690.3000111.1A451 I452 H453 L457 K458 T459A451-H455 PolarHBondContact O-N 3.32Å; I452-H455 WeakPolarHBondContact O-CB 3.49Å; I452-H455 PolarHBondContact O-N 2.75Å; I452-H455 VanDerWaalsContact O-N 3.16Å; H453-H455 VanDerWaalsContact C-N 3.25Å; H453-H455 PolarHBondContact O-N 3Å; H455-L457 VanDerWaalsContact C-N 3.29Å; H455-L457 PolarHBondContact O-N 2.9Å; H455-K458 CarbonylContact O-C 3.55Å; H455-K458 WeakPolarHBondContact O-CA 3.21Å; H455-K458 WeakPolarHBondContact O-CB 3.37Å; H455-K458 PolarHBondContact O-N 3.33Å; H455-T459 PolarHBondContact CD2-OG1 2.98Å; H455-T459 WeakPolarHBondContact NE2-CG2 3.23Å; H455-T459 PolarHBondContact NE2-OG1 3.48Å; H455-T459 PolarHBondContact O-N 3.16Å; H455-T459 PolarHBondContact O-OG1 2.86Å; H455-T459 VanDerWaalsContact O-OG1 3.06Å
456L93.4Very high95.4Very high12 Ų1229.6 Ų29.66%0.06315%0.154CC..Hα-helixtrans-61.1-34.6179.1-66.4171.9000112.8I373 I452 H453 K458 T459 Q460 T461 V711I373-L456 HydrophobicContact CD1-CD1 3.96Å; I373-L456 HydrophobicContact CG2-CB 4.44Å; I452-L456 HydrophobicContact CG1-CD1 4.44Å; I452-L456 WeakPolarHBondContact O-CG 3.23Å; I452-L456 PolarHBondContact O-N 3.16Å; H453-L456 PolarHBondContact O-N 3.01Å; H453-L456 VanDerWaalsContact O-N 3.14Å; L456-K458 VanDerWaalsContact C-N 3.28Å; L456-K458 PolarHBondContact O-N 3.06Å; L456-T459 PolarHBondContact O-N 3.27Å; L456-Q460 HydrophobicContact CD2-CG 4.34Å; L456-Q460 CarbonylContact O-C 3.26Å; L456-Q460 WeakPolarHBondContact O-CA 3.43Å; L456-Q460 WeakPolarHBondContact O-CB 3.37Å; L456-Q460 PolarHBondContact O-N 3.07Å; L456-T461 PolarHBondContact O-N 3.36Å; L456-V711 HydrophobicContact CD1-CG1 4.44Å; L456-V711 HydrophobicContact CD2-CG1 4.11Å
457L94.4Very high95.4Very high2 Ų233.5 Ų33.51%0.0117%0.172CC..Iπ-helixtrans-60-37.5169.8-64.3-170.8000112.6N370 I373 H453 H455 T461 F462N370-L457 HydrophobicContact CB-CD1 4.08Å; N370-L457 WeakPolarHBondContact ND2-CD1 3.43Å; N370-L457 WeakPolarHBondContact ND2-CD2 3.15Å; I373-L457 HydrophobicContact CG2-CD2 3.59Å; I373-L457 HydrophobicContact CG2-CG 4.48Å; H453-L457 WeakPolarHBondContact O-CG 3.31Å; H453-L457 PolarHBondContact O-N 3.05Å; H455-L457 VanDerWaalsContact C-N 3.29Å; H455-L457 PolarHBondContact O-N 2.9Å; L457-T461 HydrophobicContact CD2-CG2 4.37Å; L457-F462 HydrophobicContact CB-CD2 4.23Å; L457-F462 HydrophobicContact CD1-CD2 4.49Å; L457-F462 HydrophobicContact CD2-CD2 3.87Å; L457-F462 HydrophobicContact CD2-CE2 3.82Å; L457-F462 HydrophobicContact CG-CD2 4.41Å; L457-F462 CarbonylContact O-C 3.54Å; L457-F462 WeakPolarHBondContact O-CA 3.21Å; L457-F462 WeakPolarHBondContact O-CB 3.5Å; L457-F462 PolarHBondContact O-N 2.87Å
458K95.6Very high95.3Very high84 Ų8434.4 Ų34.437%0.36518%0.177SC..Iπ-helixtrans-81.1-31.4-179.2-72179.9174-166.90113.8S454 H455 L456 K463 A466 F473S454-K458 WeakPolarHBondContact O-CG 3.45Å; S454-K458 PolarHBondContact O-N 2.96Å; H455-K458 CarbonylContact O-C 3.55Å; H455-K458 WeakPolarHBondContact O-CA 3.21Å; H455-K458 WeakPolarHBondContact O-CB 3.37Å; H455-K458 PolarHBondContact O-N 3.33Å; L456-K458 VanDerWaalsContact C-N 3.28Å; L456-K458 PolarHBondContact O-N 3.06Å; K458-K463 WeakPolarHBondContact O-CA 3.3Å; K458-A466 HydrophobicContact CB-CB 4.1Å; K458-A466 HydrophobicContact CG-CB 4.06Å; K458-F473 HydrophobicContact CD-CB 4.39Å; K458-F473 WeakPolarHBondContact CE-O 3.49Å; K458-F473 HydrophobicContact CG-CB 4.15Å; K458-F473 PolarHBondContact NZ-O 2.94Å
459T94.1Very high95.3Very high61 Ų6137.3 Ų37.337%0.37419%0.188SC..Iπ-helixtrans-103.5-21.2-174.355.30000114.2H455 L456H455-T459 PolarHBondContact CD2-OG1 2.98Å; H455-T459 WeakPolarHBondContact NE2-CG2 3.23Å; H455-T459 PolarHBondContact NE2-OG1 3.48Å; H455-T459 PolarHBondContact O-N 3.16Å; H455-T459 PolarHBondContact O-OG1 2.86Å; H455-T459 VanDerWaalsContact O-OG1 3.06Å; L456-T459 PolarHBondContact O-N 3.27Å
460Q91.8Very high95.2Very high94 Ų9440.7 Ų40.744%0.43921%0.209SC..Iπ-helixtrans-124.2-80.7179.2-56.2-172.4-400111.4L456 F462 K463L456-Q460 HydrophobicContact CD2-CG 4.34Å; L456-Q460 CarbonylContact O-C 3.26Å; L456-Q460 WeakPolarHBondContact O-CA 3.43Å; L456-Q460 WeakPolarHBondContact O-CB 3.37Å; L456-Q460 PolarHBondContact O-N 3.07Å; Q460-F462 PolarHBondContact O-N 3.36Å; Q460-K463 PolarHBondContact O-N 2.89Å
461T92.1Very high95.2Very high34 Ų3448.2 Ų48.221%0.20925%0.249CC..Iπ-helixtrans-60.1-40.4-160.8-42.40000114.7L378 L456 L457L378-T461 HydrophobicContact CD1-CG2 3.96Å; L456-T461 PolarHBondContact O-N 3.36Å; L457-T461 HydrophobicContact CD2-CG2 4.37Å
462F95.8Very high95.2Very high3 Ų346.8 Ų46.81%0.01324%0.235CC..THydrogen-bonded Turntrans-126.131.9-179.7-55.1-51.5000111.8N370 L378 A436 Y437 I440 L457 Q460 D464 F465 A466 F473N370-F462 WeakPolarHBondContact ND2-CE2 3.35Å; L378-F462 HydrophobicContact CD1-CE1 4.2Å; L378-F462 HydrophobicContact CD1-CZ 4.26Å; L378-F462 HydrophobicContact CD2-CZ 4Å; A436-F462 HydrophobicContact CB-CE1 4.14Å; A436-F462 HydrophobicContact CB-CZ 3.89Å; Y437-F462 HydrophobicContact CD1-CD1 4.25Å; Y437-F462 HydrophobicContact CD1-CE1 4.09Å; Y437-F462 AromaticContact CE1-CD1 3.87Å; Y437-F462 HydrophobicContact CE1-CD1 3.87Å; Y437-F462 AromaticContact CE1-CE1 3.87Å; Y437-F462 HydrophobicContact CE1-CE1 3.87Å; I440-F462 HydrophobicContact CD1-CB 4.18Å; I440-F462 HydrophobicContact CD1-CD1 3.53Å; I440-F462 HydrophobicContact CD1-CD2 3.61Å; I440-F462 HydrophobicContact CD1-CE1 3.69Å; I440-F462 HydrophobicContact CD1-CE2 3.74Å; I440-F462 HydrophobicContact CD1-CG 3.5Å; I440-F462 HydrophobicContact CD1-CZ 3.8Å; L457-F462 HydrophobicContact CB-CD2 4.23Å; L457-F462 HydrophobicContact CD1-CD2 4.49Å; L457-F462 HydrophobicContact CD2-CD2 3.87Å; L457-F462 HydrophobicContact CD2-CE2 3.82Å; L457-F462 HydrophobicContact CG-CD2 4.41Å; L457-F462 CarbonylContact O-C 3.54Å; L457-F462 WeakPolarHBondContact O-CA 3.21Å; L457-F462 WeakPolarHBondContact O-CB 3.5Å; L457-F462 PolarHBondContact O-N 2.87Å; Q460-F462 PolarHBondContact O-N 3.36Å; F462-D464 PolarHBondContact O-N 3.47Å; F462-F465 HydrophobicContact CB-CB 4.43Å; F462-F465 HydrophobicContact CB-CD2 4.26Å; F462-F465 WeakPolarHBondContact O-CB 3.13Å; F462-F465 PolarHBondContact O-N 3.42Å; F462-A466 PolarHBondContact O-N 3.34Å; F462-F473 HydrophobicContact CB-CE1 4Å; F462-F473 HydrophobicContact CB-CZ 4Å; F462-F473 HydrophobicContact CD2-CE1 4.1Å; F462-F473 HydrophobicContact CG-CE1 4.46Å
463K96.3Very high95.4Very high98 Ų9845.6 Ų45.643%0.42623%0.229SC..Hα-helixtrans-48.9-52.7-174.4-179.1-174.6166.4-1780113.4K458 Q460 F465 A466 E467K458-K463 WeakPolarHBondContact O-CA 3.3Å; Q460-K463 PolarHBondContact O-N 2.89Å; K463-F465 VanDerWaalsContact C-N 3.26Å; K463-F465 PolarHBondContact O-N 3.34Å; K463-A466 PolarHBondContact O-N 2.89Å; K463-A466 VanDerWaalsContact O-N 3.08Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 IonicContact NZ-OE1 3.3Å; K463-E467 WeakPolarHBondContact O-CG 3.43Å; K463-E467 PolarHBondContact O-N 2.98Å
464D97.4Very high95.5Very high21 Ų2147.2 Ų47.211%0.11224%0.237CC..Hα-helixtrans-62.2-32.6-177.6-65.2-61.4000112.4R418 R421 M422 F462 L468R418-D464 HydrophobicContact CG-CB 4.41Å; R418-D464 IonicContact CZ-OD1 2.85Å; R418-D464 VanDerWaalsContact CZ-OD1 3.27Å; R418-D464 IonicContact NE-OD1 2.72Å; R418-D464 IonicContact NH1-OD1 3.4Å; R418-D464 PolarHBondContact NH1-OD1 3.08Å; R418-D464 IonicContact NH2-OD1 3.23Å; R421-D464 IonicContact CZ-OD1 3.85Å; R421-D464 IonicContact CZ-OD2 3.05Å; R421-D464 IonicContact NE-OD1 2.92Å; R421-D464 IonicContact NE-OD2 3.61Å; R421-D464 PolarHBondContact NE-OD2 3.11Å; R421-D464 VanDerWaalsContact NH2-CG 3.35Å; R421-D464 IonicContact NH2-OD1 3.3Å; R421-D464 PolarHBondContact NH2-OD1 3.02Å; R421-D464 IonicContact NH2-OD2 3.27Å; R421-D464 PolarHBondContact NH2-OD2 2.86Å; M422-D464 HydrophobicContact CE-CB 4.26Å; M422-D464 WeakPolarHBondContact CE-O 3.39Å; M422-D464 HydrophobicContact CG-CB 3.6Å; M422-D464 HydrophobicContact SD-CB 3.7Å; F462-D464 PolarHBondContact O-N 3.47Å; D464-L468 PolarHBondContact O-N 2.97Å; D464-L468 VanDerWaalsContact O-N 3.16Å
465F98.1Very high95.6Very high3 Ų349.4 Ų49.41%0.01325%0.248CC..Hα-helixtrans-73.7-36.1173.9-62.7-90.3000112.6F404 M422 Y437 I440 V441 F462 K463 L468 W469 F473F404-F465 AromaticContact CE1-CE1 3.78Å; F404-F465 HydrophobicContact CE1-CE1 3.78Å; F404-F465 AromaticContact CZ-CD1 3.93Å; F404-F465 HydrophobicContact CZ-CD1 3.93Å; F404-F465 AromaticContact CZ-CE1 3.6Å; F404-F465 HydrophobicContact CZ-CE1 3.6Å; M422-F465 HydrophobicContact CB-CE1 4.5Å; M422-F465 HydrophobicContact CB-CZ 4.21Å; M422-F465 HydrophobicContact CE-CD1 4.02Å; M422-F465 HydrophobicContact CE-CE1 4.37Å; M422-F465 HydrophobicContact CE-CG 4.23Å; M422-F465 WeakPolarHBondContact O-CZ 3.4Å; Y437-F465 AromaticContact CD1-CE2 3.65Å; Y437-F465 HydrophobicContact CD1-CE2 3.65Å; Y437-F465 AromaticContact CD1-CZ 3.78Å; Y437-F465 HydrophobicContact CD1-CZ 3.78Å; Y437-F465 HydrophobicContact CD2-CE2 4.06Å; Y437-F465 AromaticContact CD2-CZ 3.68Å; Y437-F465 HydrophobicContact CD2-CZ 3.68Å; Y437-F465 AromaticContact CE1-CE2 3.6Å; Y437-F465 HydrophobicContact CE1-CE2 3.6Å; Y437-F465 HydrophobicContact CE1-CZ 4.14Å; Y437-F465 HydrophobicContact CE2-CE2 4.01Å; Y437-F465 HydrophobicContact CE2-CZ 4.05Å; Y437-F465 AromaticContact CG-CE2 3.9Å; Y437-F465 HydrophobicContact CG-CE2 3.9Å; Y437-F465 AromaticContact CG-CZ 3.54Å; Y437-F465 HydrophobicContact CG-CZ 3.54Å; Y437-F465 AromaticContact CZ-CE2 3.78Å; I440-F465 HydrophobicContact CG2-CB 3.95Å; I440-F465 HydrophobicContact CG2-CD1 3.64Å; I440-F465 HydrophobicContact CG2-CE1 4.33Å; I440-F465 HydrophobicContact CG2-CG 3.9Å; V441-F465 HydrophobicContact CG2-CD1 4.43Å; V441-F465 HydrophobicContact CG2-CE1 3.92Å; F462-F465 HydrophobicContact CB-CB 4.43Å; F462-F465 HydrophobicContact CB-CD2 4.26Å; F462-F465 WeakPolarHBondContact O-CB 3.13Å; F462-F465 PolarHBondContact O-N 3.42Å; K463-F465 VanDerWaalsContact C-N 3.26Å; K463-F465 PolarHBondContact O-N 3.34Å; F465-L468 PolarHBondContact O-N 2.65Å; F465-W469 PolarHBondContact O-N 3.24Å; F465-F473 HydrophobicContact CB-CE2 3.95Å; F465-F473 HydrophobicContact CB-CZ 3.83Å
466A97.1Very high95.6Very high9 Ų945 Ų457%0.07423%0.227CC..Hα-helixtrans-70.8-31.1174.900000112.2K458 F462 K463 L468 W469 P470 F473K458-A466 HydrophobicContact CB-CB 4.1Å; K458-A466 HydrophobicContact CG-CB 4.06Å; F462-A466 PolarHBondContact O-N 3.34Å; K463-A466 PolarHBondContact O-N 2.89Å; K463-A466 VanDerWaalsContact O-N 3.08Å; A466-L468 VanDerWaalsContact C-N 3.35Å; A466-W469 CarbonylContact O-C 3.37Å; A466-P470 WeakPolarHBondContact O-CA 3.28Å; A466-P470 WeakPolarHBondContact O-CB 3.42Å; A466-P470 WeakPolarHBondContact O-CD 3.4Å; A466-P470 VanDerWaalsContact O-N 3.11Å; A466-F473 HydrophobicContact CB-CD2 4.17Å; A466-F473 HydrophobicContact CB-CE2 4.24Å
467E97.4Very high95.7Very high81 Ų8144.5 Ų44.538%0.37922%0.224SC..Hα-helixtrans-69.3-30.7169.7-72.4-178.5-179.300112.3W412 R418 K463W412-E467 HydrophobicContact CH2-CB 4.22Å; W412-E467 HydrophobicContact CZ2-CB 4.09Å; R418-E467 IonicContact CZ-OE2 3.74Å; R418-E467 VanDerWaalsContact CZ-OE2 3.3Å; R418-E467 IonicContact NH1-OE2 2.79Å; R418-E467 PolarHBondContact NH1-OE2 3.39Å; R418-E467 IonicContact NH2-OE2 3.16Å; R418-E467 PolarHBondContact NH2-OE2 3.2Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 IonicContact NZ-OE1 3.3Å; K463-E467 WeakPolarHBondContact O-CG 3.43Å; K463-E467 PolarHBondContact O-N 2.98Å
468L97.4Very high95.7Very high20 Ų2044.6 Ų44.611%0.10523%0.225CC..Hα-helixtrans-76-43.9175-175.761.7000112.1F404 V408 K411 W412 M422 D464 F465 A466F404-L468 HydrophobicContact CE2-CD2 3.65Å; F404-L468 HydrophobicContact CZ-CD2 4.06Å; V408-L468 HydrophobicContact CG2-CD2 4.44Å; K411-L468 HydrophobicContact CB-CD1 4.09Å; K411-L468 HydrophobicContact CD-CD1 4.45Å; K411-L468 HydrophobicContact CG-CD1 3.86Å; W412-L468 HydrophobicContact CH2-CB 3.77Å; W412-L468 HydrophobicContact CH2-CD1 4.13Å; W412-L468 HydrophobicContact CZ3-CB 4.02Å; W412-L468 HydrophobicContact CZ3-CD1 3.87Å; W412-L468 HydrophobicContact CZ3-CG 4.41Å; M422-L468 HydrophobicContact CE-CB 4.09Å; M422-L468 HydrophobicContact CE-CD2 3.81Å; D464-L468 PolarHBondContact O-N 2.97Å; D464-L468 VanDerWaalsContact O-N 3.16Å; F465-L468 PolarHBondContact O-N 2.65Å; A466-L468 VanDerWaalsContact C-N 3.35Å
469W96.8Very high95.8Very high63 Ų6340.6 Ų40.624%0.23921%0.208CC..  trans-134.666.3-172.5-61-43.6000112.9F404 V441 F465 A466 N471 K472F404-W469 AromaticContact CD2-CH2 3.8Å; F404-W469 HydrophobicContact CD2-CH2 3.8Å; F404-W469 HydrophobicContact CD2-CZ2 4.3Å; F404-W469 AromaticContact CE2-CH2 3.34Å; F404-W469 HydrophobicContact CE2-CH2 3.34Å; F404-W469 AromaticContact CE2-CZ2 3.91Å; F404-W469 HydrophobicContact CE2-CZ2 3.91Å; F404-W469 AromaticContact CE2-CZ3 3.89Å; F404-W469 HydrophobicContact CE2-CZ3 3.89Å; F404-W469 HydrophobicContact CZ-CH2 4.34Å; F404-W469 HydrophobicContact CZ-CZ3 4.5Å; V441-W469 HydrophobicContact CG1-CH2 4.4Å; V441-W469 HydrophobicContact CG2-CH2 4.29Å; V441-W469 HydrophobicContact CG2-CZ3 4.18Å; F465-W469 PolarHBondContact O-N 3.24Å; A466-W469 CarbonylContact O-C 3.37Å; W469-N471 VanDerWaalsContact C-N 3.26Å; W469-N471 PolarHBondContact O-N 3.34Å; W469-N471 VanDerWaalsContact O-N 3.16Å; W469-K472 HydrophobicContact CB-CB 3.69Å; W469-K472 HydrophobicContact CB-CD 3.95Å; W469-K472 HydrophobicContact CB-CG 4.49Å; W469-K472 HydrophobicContact CD2-CD 3.95Å; W469-K472 HydrophobicContact CE3-CD 3.6Å; W469-K472 HydrophobicContact CG-CD 4.17Å; W469-K472 HydrophobicContact CZ3-CD 4.31Å; W469-K472 VanDerWaalsContact O-CB 3.24Å; W469-K472 WeakPolarHBondContact O-CB 3.33Å; W469-K472 PolarHBondContact O-N 2.72Å
470P92.2Very high95.9Very high72 Ų7237.9 Ų37.947%0.46819%0.191SC..THydrogen-bonded Turntrans-60.7-32.3-172.721.6-33.4000114.1A466 K472A466-P470 WeakPolarHBondContact O-CA 3.28Å; A466-P470 WeakPolarHBondContact O-CB 3.42Å; A466-P470 WeakPolarHBondContact O-CD 3.4Å; A466-P470 VanDerWaalsContact O-N 3.11Å; P470-K472 VanDerWaalsContact C-N 3.32Å
471N94.4Very high96.2Very high157 Ų15733.4 Ų33.484%0.8417%0.17SC*.THydrogen-bonded Turntrans-77.3-14.5179.1-63-9.7000113.6W469W469-N471 VanDerWaalsContact C-N 3.26Å; W469-N471 PolarHBondContact O-N 3.34Å; W469-N471 VanDerWaalsContact O-N 3.16Å
472K96.7Very high96.4Very high12 Ų1231.8 Ų31.85%0.05216%0.16CC..THydrogen-bonded Turntrans-77.2-31.1-178.8-175.4171.3-169.9164.60112.3Y363 I440 V441 S443 V446 W469 P470Y363-K472 PolarHBondContact OH-NZ 2.81Å; I440-K472 WeakPolarHBondContact O-CE 3.41Å; I440-K472 PolarHBondContact O-NZ 3.2Å; V441-K472 PolarHBondContact O-NZ 3.17Å; S443-K472 WeakPolarHBondContact O-CE 3.48Å; S443-K472 PolarHBondContact O-NZ 3.09Å; V446-K472 HydrophobicContact CG2-CG 4.21Å; V446-K472 PolarHBondContact N-O 2.82Å; W469-K472 HydrophobicContact CB-CB 3.69Å; W469-K472 HydrophobicContact CB-CD 3.95Å; W469-K472 HydrophobicContact CB-CG 4.49Å; W469-K472 HydrophobicContact CD2-CD 3.95Å; W469-K472 HydrophobicContact CE3-CD 3.6Å; W469-K472 HydrophobicContact CG-CD 4.17Å; W469-K472 HydrophobicContact CZ3-CD 4.31Å; W469-K472 VanDerWaalsContact O-CB 3.24Å; W469-K472 WeakPolarHBondContact O-CB 3.33Å; W469-K472 PolarHBondContact O-N 2.72Å; P470-K472 VanDerWaalsContact C-N 3.32Å
473F97.6Very high96.5Very high10 Ų1031.7 Ų31.74%0.04416%0.159CC..EExtended strand (participates in β ladder)trans-89.8115.7-179.8-73.8-97.1000110.6I440 V446 K458 F462 F465 A466I440-F473 HydrophobicContact CD1-CZ 4.35Å; I440-F473 HydrophobicContact CG1-CZ 4.41Å; I440-F473 HydrophobicContact CG2-CE2 4.36Å; I440-F473 HydrophobicContact CG2-CZ 3.87Å; V446-F473 HydrophobicContact CB-CD1 3.99Å; V446-F473 HydrophobicContact CB-CE1 4.16Å; V446-F473 HydrophobicContact CB-CG 4.33Å; V446-F473 HydrophobicContact CG1-CD1 3.69Å; V446-F473 HydrophobicContact CG1-CE1 3.67Å; V446-F473 HydrophobicContact CG1-CZ 4.46Å; V446-F473 CarbonylContact O-C 3.48Å; V446-F473 WeakPolarHBondContact O-CA 3.36Å; K458-F473 HydrophobicContact CD-CB 4.39Å; K458-F473 WeakPolarHBondContact CE-O 3.49Å; K458-F473 HydrophobicContact CG-CB 4.15Å; K458-F473 PolarHBondContact NZ-O 2.94Å; F462-F473 HydrophobicContact CB-CE1 4Å; F462-F473 HydrophobicContact CB-CZ 4Å; F462-F473 HydrophobicContact CD2-CE1 4.1Å; F462-F473 HydrophobicContact CG-CE1 4.46Å; F465-F473 HydrophobicContact CB-CE2 3.95Å; F465-F473 HydrophobicContact CB-CZ 3.83Å; A466-F473 HydrophobicContact CB-CD2 4.17Å; A466-F473 HydrophobicContact CB-CE2 4.24Å
474Q96.3Very high96.6Very high35 Ų3527.2 Ų27.216%0.16414%0.14CC..EExtended strand (participates in β ladder)trans-122.6175.1178.963.3174.5-78.400112.4V446 N447 G448 D819 I820V446-Q474 PolarHBondContact O-N 2.71Å; N447-Q474 HydrophobicContact CB-CG 4.35Å; N447-Q474 PolarHBondContact OD1-O 2.98Å; G448-Q474 PolarHBondContact N-O 3.1Å; Q474-D819 PolarHBondContact NE2-O 2.86Å; Q474-D819 VanDerWaalsContact NE2-O 3.12Å; Q474-I820 HydrophobicContact CG-CD1 4.49Å
475N96.5Very high96.6Very high57 Ų5726.2 Ų26.231%0.30514%0.135SC..EExtended strand (participates in β ladder)trans-123.4138.2173.5169.2-127.8000110.1N447 G448 A450 S454 T477N447-N475 VanDerWaalsContact OD1-CA 3.31Å; N447-N475 WeakPolarHBondContact OD1-CA 3.3Å; G448-N475 WeakPolarHBondContact O-CA 3.43Å; G448-N475 PolarHBondContact O-ND2 3.14Å; A450-N475 PolarHBondContact O-ND2 3.47Å; S454-N475 WeakPolarHBondContact OG-CB 3.43Å; S454-N475 PolarHBondContact OG-ND2 2.98Å; S454-N475 VanDerWaalsContact OG-ND2 3.14Å; N475-T477 PolarHBondContact ND2-OG1 2.96Å
476K96.2Very high96.6Very high16 Ų1626.1 Ų26.17%0.0713%0.134CC..  trans-146.496.6171.2-59-75.9175.7-84.10105.1N447 G448 T812 E815 Y816 D819 I820N447-K476 PolarHBondContact ND2-O 2.9Å; N447-K476 WeakPolarHBondContact OD1-CB 3.32Å; N447-K476 WeakPolarHBondContact OD1-CG 3.36Å; N447-K476 PolarHBondContact OD1-N 3.39Å; G448-K476 PolarHBondContact O-N 3.32Å; G448-K476 VanDerWaalsContact O-N 3.16Å; K476-T812 HydrophobicContact CB-CG2 4.43Å; K476-E815 HydrophobicContact CD-CB 3.36Å; K476-E815 HydrophobicContact CD-CG 4.41Å; K476-E815 WeakPolarHBondContact CE-O 3.25Å; K476-Y816 HydrophobicContact CB-CD2 3.77Å; K476-Y816 HydrophobicContact CB-CE2 3.42Å; K476-Y816 VanDerWaalsContact CB-CE2 3.42Å; K476-Y816 HydrophobicContact CD-CD2 4.33Å; K476-Y816 HydrophobicContact CG-CD2 3.88Å; K476-Y816 HydrophobicContact CG-CE2 3.9Å; K476-D819 WeakPolarHBondContact CE-OD2 3.09Å; K476-D819 IonicContact NZ-OD2 3.73Å; K476-D819 PolarHBondContact NZ-OD2 3.49Å; K476-I820 HydrophobicContact CG-CD1 4.03Å
477T95.3Very high96.7Very high2 Ų226.9 Ų26.91%0.01214%0.137CC..  trans-61.2145.8-176-57.30000110.5V449 A450 N475 M675 E694 F807 R811 T812V449-T477 CarbonylContact O-C 3.55Å; V449-T477 VanDerWaalsContact O-CA 3.26Å; V449-T477 WeakPolarHBondContact O-CA 3.15Å; A450-T477 HydrophobicContact CB-CG2 4.49Å; N475-T477 PolarHBondContact ND2-OG1 2.96Å; T477-M675 HydrophobicContact CG2-CE 4.35Å; T477-E694 WeakPolarHBondContact CB-OE1 3.3Å; T477-E694 VanDerWaalsContact CG2-OE1 3.32Å; T477-E694 WeakPolarHBondContact CG2-OE1 3.47Å; T477-E694 WeakPolarHBondContact CG2-OE2 3.49Å; T477-E694 PolarHBondContact OG1-OE1 3.31Å; T477-E694 PolarHBondContact OG1-OE2 2.93Å; T477-F807 HydrophobicContact CG2-CE1 4.43Å; T477-R811 PolarHBondContact O-NH2 3.48Å; T477-T812 WeakPolarHBondContact O-CG2 3.33Å; T477-T812 PolarHBondContact O-OG1 3.49Å
478N95.4Very high96.6Very high5 Ų525 Ų253%0.02713%0.129CC..  trans-57.1164.9175.1-79.8-15.5000112.4L137 V449 S670 T672 M675 R811L137-N478 HydrophobicContact CD1-CB 3.86Å; L137-N478 WeakPolarHBondContact CD2-OD1 3.21Å; V449-N478 WeakPolarHBondContact CB-OD1 3.48Å; V449-N478 WeakPolarHBondContact CG1-OD1 3.36Å; V449-N478 PolarHBondContact O-N 2.85Å; N478-S670 PolarHBondContact ND2-O 2.69Å; N478-T672 HydrophobicContact CB-CG2 4.11Å; N478-M675 HydrophobicContact CB-CE 4Å; N478-M675 WeakPolarHBondContact O-CE 3.41Å; N478-R811 PolarHBondContact O-NH2 2.96Å
479G95.8Very high96.6Very high0 Ų025.1 Ų25.10%013%0.131CC..  trans-157.6172.4175.600000112.6F807G479-F807 CarbonylContact C-O 3.54Å; G479-F807 WeakPolarHBondContact CA-O 3.5Å
480I97.6Very high96.7Very high3 Ų322.2 Ų22.22%0.01512%0.12CC..BIsolated β-bridgetrans-125.7151.2-176.958.3169.6000110.7P482 W485 M675 K676 L679 F807 S808 S809I480-P482 WeakPolarHBondContact O-CD 3.46Å; I480-W485 HydrophobicContact CD1-CB 4.2Å; I480-M675 HydrophobicContact CD1-CB 3.89Å; I480-M675 HydrophobicContact CG1-CB 4.21Å; I480-M675 HydrophobicContact CG2-CB 4.21Å; I480-M675 HydrophobicContact CG2-SD 4.36Å; I480-K676 HydrophobicContact CB-CG 4.47Å; I480-K676 HydrophobicContact CD1-CB 4.16Å; I480-K676 HydrophobicContact CD1-CG 3.53Å; I480-K676 HydrophobicContact CG2-CG 4.01Å; I480-L679 HydrophobicContact CD1-CB 4.33Å; I480-L679 HydrophobicContact CD1-CD2 3.72Å; I480-F807 WeakPolarHBondContact CG1-O 3.49Å; I480-F807 PolarHBondContact N-O 3.37Å; I480-S808 WeakPolarHBondContact O-CA 3.25Å; I480-S809 PolarHBondContact O-N 3.38Å; I480-S809 PolarHBondContact O-OG 3.48Å
481T96.7Very high97Very high0 Ų021.5 Ų21.50%012%0.116CC..  trans-80.3120.1174.5172.30000110.7C140 D143 R483 R484 W485 S809C140-T481 HydrophobicContact CB-CG2 4.15Å; D143-T481 VanDerWaalsContact OD1-CB 3.23Å; D143-T481 WeakPolarHBondContact OD1-CB 3.49Å; D143-T481 PolarHBondContact OD1-OG1 3.18Å; T481-R483 PolarHBondContact O-N 3.19Å; T481-R483 VanDerWaalsContact OG1-CZ 3.28Å; T481-R483 PolarHBondContact OG1-N 3.13Å; T481-R483 PolarHBondContact OG1-NE 3.41Å; T481-R483 VanDerWaalsContact OG1-NE 3.16Å; T481-R483 PolarHBondContact OG1-NH2 3.38Å; T481-R484 HydrophobicContact CG2-CB 4.03Å; T481-R484 PolarHBondContact O-N 2.95Å; T481-W485 PolarHBondContact O-N 3.29Å; T481-W485 VanDerWaalsContact O-N 3.16Å; T481-S809 WeakPolarHBondContact CA-OG 3.44Å; T481-S809 PolarHBondContact N-OG 3.29Å
482P97.5Very high97.2Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-67.7-18.4178.729.3-35.7000112.3I480 R484 L486 L487 I508 L511I480-P482 WeakPolarHBondContact O-CD 3.46Å; P482-R484 VanDerWaalsContact C-N 3.35Å; P482-R484 PolarHBondContact O-N 3.3Å; P482-L486 WeakPolarHBondContact O-CB 3.16Å; P482-L486 PolarHBondContact O-N 3.12Å; P482-L487 PolarHBondContact O-N 2.99Å; P482-I508 WeakPolarHBondContact CG-O 3.42Å; P482-L511 HydrophobicContact CB-CD1 3.68Å; P482-L511 HydrophobicContact CB-CD2 4.16Å; P482-L511 HydrophobicContact CB-CG 4.46Å; P482-L511 HydrophobicContact CG-CD1 4.14Å; P482-L511 HydrophobicContact CG-CD2 4.45Å
483R98Very high97.3Very high1 Ų116.2 Ų16.20%0.0049%0.088CC..Iπ-helixtrans-65.7-37179.9-67.2163.8-70-839.2112.3L98 D143 Y232 T481 L488 I508 D810L98-R483 WeakPolarHBondContact CD2-O 3.21Å; D143-R483 IonicContact OD1-CZ 3.75Å; D143-R483 VanDerWaalsContact OD1-CZ 3.23Å; D143-R483 IonicContact OD1-NE 2.73Å; D143-R483 PolarHBondContact OD1-NE 3.29Å; D143-R483 IonicContact OD1-NH2 3.24Å; D143-R483 PolarHBondContact OD1-NH2 3.32Å; D143-R483 IonicContact OD2-NE 3.42Å; Y232-R483 HydrophobicContact CD2-CG 3.88Å; Y232-R483 HydrophobicContact CE2-CG 4.36Å; Y232-R483 VanDerWaalsContact CG-CD 3.47Å; Y232-R483 HydrophobicContact CG-CG 4.17Å; T481-R483 PolarHBondContact O-N 3.19Å; T481-R483 VanDerWaalsContact OG1-CZ 3.28Å; T481-R483 PolarHBondContact OG1-N 3.13Å; T481-R483 PolarHBondContact OG1-NE 3.41Å; T481-R483 VanDerWaalsContact OG1-NE 3.16Å; T481-R483 PolarHBondContact OG1-NH2 3.38Å; R483-L488 VanDerWaalsContact O-CB 3.3Å; R483-L488 WeakPolarHBondContact O-CB 3.4Å; R483-L488 PolarHBondContact O-N 2.91Å; R483-I508 HydrophobicContact CG-CG2 3.59Å; R483-I508 PolarHBondContact NH1-O 2.96Å; R483-D810 IonicContact CZ-OD1 2.69Å; R483-D810 IonicContact CZ-OD2 3.58Å; R483-D810 IonicContact NH1-OD1 3.64Å; R483-D810 IonicContact NH1-OD2 3.74Å; R483-D810 PolarHBondContact NH1-OD2 2.66Å; R483-D810 IonicContact NH2-OD1 3.54Å; R483-D810 PolarHBondContact NH2-OD1 2.95Å; R483-D810 IonicContact NH2-OD2 2.71Å; R483-D810 PolarHBondContact NH2-OD2 2.75Å
484R97.5Very high97.3Very high4 Ų415.8 Ų15.82%0.0159%0.086CC..Iπ-helixtrans-88.5-47.7172.6-173.1171.7-77.7-104.712.4112.2M89 R91 N95 T481 P482 L486 L488 C489 E650M89-R484 PolarHBondContact O-NH2 3.49Å; R91-R484 PolarHBondContact O-NH1 3.1Å; R91-R484 PolarHBondContact O-NH2 3.09Å; N95-R484 VanDerWaalsContact CG-NH2 3.26Å; N95-R484 PolarHBondContact OD1-NE 3.47Å; N95-R484 VanDerWaalsContact OD1-NE 3.15Å; N95-R484 PolarHBondContact OD1-NH2 2.93Å; T481-R484 HydrophobicContact CG2-CB 4.03Å; T481-R484 PolarHBondContact O-N 2.95Å; P482-R484 VanDerWaalsContact C-N 3.35Å; P482-R484 PolarHBondContact O-N 3.3Å; R484-L486 VanDerWaalsContact C-N 3.34Å; R484-L486 PolarHBondContact O-N 2.77Å; R484-L488 HydrophobicContact CG-CD2 4.45Å; R484-C489 WeakPolarHBondContact O-CB 3.14Å; R484-C489 PolarHBondContact O-N 3.4Å; R484-C489 PolarHBondContact O-SG 3.07Å; R484-C489 VanDerWaalsContact O-SG 3.34Å; R484-E650 WeakPolarHBondContact CD-OE1 3.12Å; R484-E650 HydrophobicContact CG-CG 4.47Å; R484-E650 WeakPolarHBondContact CG-OE1 3.22Å; R484-E650 IonicContact CZ-OE1 3.12Å; R484-E650 IonicContact NE-OE1 2.66Å; R484-E650 IonicContact NH1-OE1 3.77Å; R484-E650 PolarHBondContact NH1-OE1 2.75Å; R484-E650 IonicContact NH1-OE2 2.71Å
485W98Very high97.4Very high1 Ų118.7 Ų18.70%0.00410%0.103CC..Iπ-helixtrans-88.97.2-167.6-56109.9000115.4R136 I480 T481 V646 A649 E650 F653 K676 L679 N680R136-W485 HydrophobicContact CG-CZ2 4.11Å; I480-W485 HydrophobicContact CD1-CB 4.2Å; T481-W485 PolarHBondContact O-N 3.29Å; T481-W485 VanDerWaalsContact O-N 3.16Å; W485-V646 HydrophobicContact CH2-CG1 4.03Å; W485-V646 HydrophobicContact CZ2-CG1 4.47Å; W485-A649 HydrophobicContact CH2-CB 4.39Å; W485-A649 HydrophobicContact CZ3-CB 4.23Å; W485-E650 HydrophobicContact CE3-CG 4.33Å; W485-E650 HydrophobicContact CH2-CG 4.16Å; W485-E650 HydrophobicContact CZ3-CG 3.7Å; W485-F653 AromaticContact CE3-CD2 3.64Å; W485-F653 HydrophobicContact CE3-CD2 3.64Å; W485-F653 AromaticContact CE3-CE2 3.82Å; W485-F653 HydrophobicContact CE3-CE2 3.82Å; W485-F653 HydrophobicContact CH2-CE2 4.29Å; W485-F653 AromaticContact CZ3-CD2 3.62Å; W485-F653 HydrophobicContact CZ3-CD2 3.62Å; W485-F653 AromaticContact CZ3-CE2 3.49Å; W485-F653 HydrophobicContact CZ3-CE2 3.49Å; W485-F653 VanDerWaalsContact CZ3-CE2 3.49Å; W485-K676 HydrophobicContact CB-CG 4.1Å; W485-K676 HydrophobicContact CD2-CD 3.58Å; W485-K676 HydrophobicContact CD2-CG 4.01Å; W485-K676 HydrophobicContact CE3-CD 3.66Å; W485-K676 HydrophobicContact CE3-CG 4.3Å; W485-K676 HydrophobicContact CG-CD 3.99Å; W485-K676 HydrophobicContact CG-CG 3.88Å; W485-K676 VanDerWaalsContact CH2-NZ 3.29Å; W485-K676 HydrophobicContact CZ2-CD 4.48Å; W485-K676 HydrophobicContact CZ3-CD 4.14Å; W485-L679 HydrophobicContact CB-CD2 4.19Å; W485-N680 PolarHBondContact O-ND2 3.36Å
486L98.5Very high97.5Very high0 Ų016.3 Ų16.30%09%0.09CC..Iπ-helixtrans-144-61.5169.4171.254.7000110.2P482 R484 L488 N490 L493 S494 I497 W507 L679P482-L486 WeakPolarHBondContact O-CB 3.16Å; P482-L486 PolarHBondContact O-N 3.12Å; R484-L486 VanDerWaalsContact C-N 3.34Å; R484-L486 PolarHBondContact O-N 2.77Å; L486-L488 PolarHBondContact O-N 3.3Å; L486-N490 HydrophobicContact CD1-CB 4.39Å; L486-N490 CarbonylContact O-C 3.57Å; L486-N490 VanDerWaalsContact O-C 3.26Å; L486-N490 WeakPolarHBondContact O-CA 3.25Å; L486-N490 WeakPolarHBondContact O-CB 3.44Å; L486-N490 PolarHBondContact O-N 2.78Å; L486-L493 HydrophobicContact CD1-CB 4.13Å; L486-L493 HydrophobicContact CD1-CD2 3.82Å; L486-L493 HydrophobicContact CD1-CG 3.87Å; L486-S494 VanDerWaalsContact C-OG 3.3Å; L486-S494 WeakPolarHBondContact CD1-OG 3.31Å; L486-S494 WeakPolarHBondContact CG-OG 3.45Å; L486-S494 PolarHBondContact O-OG 3.42Å; L486-S494 VanDerWaalsContact O-OG 3.07Å; L486-I497 HydrophobicContact CD1-CD1 4.04Å; L486-I497 HydrophobicContact CD2-CD1 3.59Å; L486-I497 HydrophobicContact CG-CD1 4.39Å; L486-W507 HydrophobicContact CD2-CE3 4.42Å; L486-W507 HydrophobicContact CD2-CH2 3.85Å; L486-W507 HydrophobicContact CD2-CZ3 3.53Å; L486-W507 HydrophobicContact CG-CH2 4.09Å; L486-W507 HydrophobicContact CG-CZ3 4.11Å; L486-L679 HydrophobicContact CB-CD1 4.32Å; L486-L679 HydrophobicContact CB-CD2 3.88Å; L486-L679 HydrophobicContact CB-CG 4Å; L486-L679 HydrophobicContact CD2-CD1 3.69Å; L486-L679 HydrophobicContact CD2-CG 4.24Å
487L98.1Very high97.6Very high26 Ų2615.6 Ų15.614%0.1369%0.087CC..Iπ-helixtrans-62.5-45.6-172.3-174.665.6000113.6L98 Y232 P482 S494 W507 I508L98-L487 HydrophobicContact CD1-CD2 3.84Å; L98-L487 HydrophobicContact CD1-CG 4.14Å; L98-L487 HydrophobicContact CD2-CD2 4.1Å; L98-L487 HydrophobicContact CD2-CG 4.2Å; L98-L487 HydrophobicContact CG-CD2 4.26Å; Y232-L487 HydrophobicContact CE2-CD2 3.9Å; P482-L487 PolarHBondContact O-N 2.99Å; L487-S494 VanDerWaalsContact CA-OG 3.29Å; L487-S494 WeakPolarHBondContact CA-OG 3.39Å; L487-S494 PolarHBondContact N-OG 3.43Å; L487-W507 HydrophobicContact CD1-CH2 4.46Å; L487-I508 HydrophobicContact CD1-CD1 4.16Å; L487-I508 HydrophobicContact CD2-CD1 3.87Å; L487-I508 HydrophobicContact CD2-CG1 4.26Å; L487-I508 HydrophobicContact CD2-CG2 3.73Å
488L96.8Very high97.7Very high42 Ų4217.9 Ų17.922%0.2210%0.098CC..Iπ-helixtrans-77.1-53.8177.2-173.967.8000112.2T94 L98 R483 R484 L486 N490T94-L488 HydrophobicContact CG2-CD1 4.39Å; L98-L488 HydrophobicContact CD2-CB 3.79Å; L98-L488 HydrophobicContact CD2-CD1 4.09Å; L98-L488 HydrophobicContact CD2-CG 4.48Å; R483-L488 VanDerWaalsContact O-CB 3.3Å; R483-L488 WeakPolarHBondContact O-CB 3.4Å; R483-L488 PolarHBondContact O-N 2.91Å; R484-L488 HydrophobicContact CG-CD2 4.45Å; L486-L488 PolarHBondContact O-N 3.3Å; L488-N490 PolarHBondContact O-N 3.39Å
489C97.6Very high97.8Very high21 Ų2123.3 Ų23.314%0.14212%0.124CC..THydrogen-bonded Turntrans-80.6-14.5-169.873.10000114.6R484 E650 P654R484-C489 WeakPolarHBondContact O-CB 3.14Å; R484-C489 PolarHBondContact O-N 3.4Å; R484-C489 PolarHBondContact O-SG 3.07Å; R484-C489 VanDerWaalsContact O-SG 3.34Å; C489-E650 HydrophobicContact CB-CB 3.83Å; C489-E650 HydrophobicContact CB-CG 4.04Å; C489-E650 WeakPolarHBondContact CB-O 3.31Å; C489-P654 HydrophobicContact CB-CG 4.24Å; C489-P654 WeakPolarHBondContact O-CG 2.89Å
490N98.5Very high97.8Very high2 Ų223.9 Ų23.91%0.01113%0.129CC..  trans-143.765.2-176.6-161.2-5.7000111.2L486 L488 N492 L493 S494 N537 P654 N680L486-N490 HydrophobicContact CD1-CB 4.39Å; L486-N490 CarbonylContact O-C 3.57Å; L486-N490 VanDerWaalsContact O-C 3.26Å; L486-N490 WeakPolarHBondContact O-CA 3.25Å; L486-N490 WeakPolarHBondContact O-CB 3.44Å; L486-N490 PolarHBondContact O-N 2.78Å; L488-N490 PolarHBondContact O-N 3.39Å; N490-N492 PolarHBondContact O-N 3.4Å; N490-L493 HydrophobicContact CB-CB 4.27Å; N490-L493 VanDerWaalsContact CG-CB 3.41Å; N490-L493 WeakPolarHBondContact ND2-CB 3.46Å; N490-L493 WeakPolarHBondContact ND2-CD2 3.42Å; N490-L493 PolarHBondContact O-N 2.83Å; N490-L493 WeakPolarHBondContact OD1-CB 3.32Å; N490-S494 PolarHBondContact O-N 3.32Å; N490-S494 PolarHBondContact O-OG 2.87Å; N490-N537 PolarHBondContact OD1-ND2 3.32Å; N490-P654 HydrophobicContact CB-CB 4.1Å; N490-P654 HydrophobicContact CB-CG 4.06Å; N490-N680 WeakPolarHBondContact CB-OD1 3.48Å; N490-N680 PolarHBondContact ND2-OD1 3.2Å
491P97.3Very high97.6Very high57 Ų5724.3 Ų24.337%0.3713%0.131SC..Hα-helixtrans-59.2-46.7-175.922.3-32.8000111.8L493 S494 D495P491-L493 PolarHBondContact O-N 2.59Å; P491-L493 VanDerWaalsContact O-N 3.14Å; P491-S494 CarbonylContact O-C 3.53Å; P491-S494 WeakPolarHBondContact O-CA 3.45Å; P491-S494 VanDerWaalsContact O-CB 3.31Å; P491-S494 WeakPolarHBondContact O-CB 3.48Å; P491-S494 PolarHBondContact O-N 3.16Å; P491-D495 PolarHBondContact O-N 3.5Å
492N98.6Very high97.5Very high54 Ų5427.2 Ų27.229%0.28916%0.161SC..Hα-helixtrans-54.8-37.3178.7-60.727.5000113N490 L496 I533 E536N490-N492 PolarHBondContact O-N 3.4Å; N492-L496 PolarHBondContact O-N 2.71Å; N492-I533 HydrophobicContact CB-CD1 4.41Å; N492-I533 HydrophobicContact CB-CG1 4.06Å; N492-I533 HydrophobicContact CB-CG2 3.91Å; N492-I533 WeakPolarHBondContact O-CD1 3.39Å; N492-E536 PolarHBondContact ND2-OE2 3.06Å
493L98.8Very high97.3Very high5 Ų529.9 Ų29.93%0.02619%0.189CC..Hα-helixtrans-73.8-36.6174.5-178.858.7000111.9L486 N490 P491 D495 L496 I497 L530 I533 I801L486-L493 HydrophobicContact CD1-CB 4.13Å; L486-L493 HydrophobicContact CD1-CD2 3.82Å; L486-L493 HydrophobicContact CD1-CG 3.87Å; N490-L493 HydrophobicContact CB-CB 4.27Å; N490-L493 VanDerWaalsContact CG-CB 3.41Å; N490-L493 WeakPolarHBondContact ND2-CB 3.46Å; N490-L493 WeakPolarHBondContact ND2-CD2 3.42Å; N490-L493 PolarHBondContact O-N 2.83Å; N490-L493 WeakPolarHBondContact OD1-CB 3.32Å; P491-L493 PolarHBondContact O-N 2.59Å; P491-L493 VanDerWaalsContact O-N 3.14Å; L493-D495 VanDerWaalsContact C-N 3.35Å; L493-L496 PolarHBondContact O-N 3.16Å; L493-I497 HydrophobicContact CD1-CD1 4.32Å; L493-I497 HydrophobicContact CD1-CG1 4.43Å; L493-I497 HydrophobicContact CG-CD1 3.97Å; L493-I497 WeakPolarHBondContact O-CB 3.44Å; L493-I497 VanDerWaalsContact O-CG1 3.26Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 3.16Å; L493-L530 HydrophobicContact CD1-CD2 3.48Å; L493-L530 VanDerWaalsContact CD1-CD2 3.48Å; L493-I533 HydrophobicContact CB-CG2 4.15Å; L493-I801 HydrophobicContact CD1-CD1 4.16Å; L493-I801 HydrophobicContact CD2-CD1 4.22Å
494S98.5Very high97Very high0 Ų034.9 Ų34.90%021%0.211CC..Hα-helixtrans-66.1-37.5178.1-56.50000112.1L486 L487 N490 P491 I497 M498L486-S494 VanDerWaalsContact C-OG 3.3Å; L486-S494 WeakPolarHBondContact CD1-OG 3.31Å; L486-S494 WeakPolarHBondContact CG-OG 3.45Å; L486-S494 PolarHBondContact O-OG 3.42Å; L486-S494 VanDerWaalsContact O-OG 3.07Å; L487-S494 VanDerWaalsContact CA-OG 3.29Å; L487-S494 WeakPolarHBondContact CA-OG 3.39Å; L487-S494 PolarHBondContact N-OG 3.43Å; N490-S494 PolarHBondContact O-N 3.32Å; N490-S494 PolarHBondContact O-OG 2.87Å; P491-S494 CarbonylContact O-C 3.53Å; P491-S494 WeakPolarHBondContact O-CA 3.45Å; P491-S494 VanDerWaalsContact O-CB 3.31Å; P491-S494 WeakPolarHBondContact O-CB 3.48Å; P491-S494 PolarHBondContact O-N 3.16Å; S494-I497 PolarHBondContact O-N 3.35Å; S494-M498 WeakPolarHBondContact O-CB 3.38Å; S494-M498 PolarHBondContact O-N 2.8Å
495D98.3Very high96.9Very high97 Ų9737.9 Ų37.952%0.51923%0.227SC..Hα-helixtrans-66.8-44.8173.4-64.3-31000111.2P491 L493 I497 M498 E499P491-D495 PolarHBondContact O-N 3.5Å; L493-D495 VanDerWaalsContact C-N 3.35Å; D495-I497 VanDerWaalsContact C-N 3.32Å; D495-I497 PolarHBondContact O-N 3.01Å; D495-M498 CarbonylContact O-C 3.53Å; D495-M498 WeakPolarHBondContact O-CB 3.34Å; D495-M498 PolarHBondContact O-N 3.01Å; D495-M498 VanDerWaalsContact O-N 3.13Å; D495-E499 PolarHBondContact O-N 3.12Å
496L98.6Very high96.7Very high7 Ų739.9 Ų39.94%0.03724%0.241CC..Hα-helixtrans-63.5-36.9174.5-178.466.4000112.1N492 L493 G500 F526 H529 L530 I533N492-L496 PolarHBondContact O-N 2.71Å; L493-L496 PolarHBondContact O-N 3.16Å; L496-G500 PolarHBondContact O-N 3.41Å; L496-F526 HydrophobicContact CD1-CD2 3.79Å; L496-F526 HydrophobicContact CD1-CE2 3.65Å; L496-F526 HydrophobicContact CD1-CZ 4.27Å; L496-F526 HydrophobicContact CD2-CE1 4.39Å; L496-F526 HydrophobicContact CD2-CE2 4.39Å; L496-F526 HydrophobicContact CD2-CZ 4.23Å; L496-F526 HydrophobicContact CG-CD2 4.22Å; L496-F526 HydrophobicContact CG-CE1 4.44Å; L496-F526 HydrophobicContact CG-CE2 3.67Å; L496-F526 HydrophobicContact CG-CZ 3.79Å; L496-F526 WeakPolarHBondContact O-CE2 3.29Å; L496-H529 HydrophobicContact CD1-CB 3.77Å; L496-H529 HydrophobicContact CD2-CB 3.67Å; L496-H529 HydrophobicContact CG-CB 4.39Å; L496-L530 HydrophobicContact CD2-CD2 3.75Å; L496-L530 HydrophobicContact CD2-CG 3.95Å; L496-I533 HydrophobicContact CB-CD1 3.91Å; L496-I533 HydrophobicContact CD2-CD1 3.64Å; L496-I533 HydrophobicContact CG-CD1 4.38Å
497I98.5Very high96.7Very high1 Ų139.9 Ų39.91%0.00524%0.241CC..Hα-helixtrans-63.2-45.1171.7-75.4169000109.9L486 L493 S494 D495 E499 G500 M501 W507 I514 L517 I801L486-I497 HydrophobicContact CD1-CD1 4.04Å; L486-I497 HydrophobicContact CD2-CD1 3.59Å; L486-I497 HydrophobicContact CG-CD1 4.39Å; L493-I497 HydrophobicContact CD1-CD1 4.32Å; L493-I497 HydrophobicContact CD1-CG1 4.43Å; L493-I497 HydrophobicContact CG-CD1 3.97Å; L493-I497 WeakPolarHBondContact O-CB 3.44Å; L493-I497 VanDerWaalsContact O-CG1 3.26Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 3.16Å; S494-I497 PolarHBondContact O-N 3.35Å; D495-I497 VanDerWaalsContact C-N 3.32Å; D495-I497 PolarHBondContact O-N 3.01Å; I497-E499 PolarHBondContact O-N 3.2Å; I497-G500 PolarHBondContact O-N 2.95Å; I497-M501 HydrophobicContact CG2-CG 4.28Å; I497-M501 VanDerWaalsContact O-CB 3.25Å; I497-M501 WeakPolarHBondContact O-CB 3.05Å; I497-M501 WeakPolarHBondContact O-CG 3.4Å; I497-M501 PolarHBondContact O-N 3.42Å; I497-W507 HydrophobicContact CB-CZ2 4.48Å; I497-W507 HydrophobicContact CG2-CD2 4Å; I497-W507 HydrophobicContact CG2-CG 4.41Å; I497-W507 HydrophobicContact CG2-CH2 4.44Å; I497-W507 HydrophobicContact CG2-CZ2 3.89Å; I497-I514 HydrophobicContact CG2-CG2 4.12Å; I497-L517 HydrophobicContact CB-CD1 4.38Å; I497-L517 HydrophobicContact CG1-CD1 3.86Å; I497-L517 HydrophobicContact CG2-CD1 4.19Å; I497-I801 HydrophobicContact CD1-CG2 3.86Å; I497-I801 HydrophobicContact CG1-CG2 4.49Å
498M97.4Very high96.6Very high49 Ų4938.7 Ų38.724%0.24124%0.235CC..Hα-helixtrans-63.2-41.2177.9-162.6176.3-59.900112.1S494 D495 M501 G502 G503 D505 I508S494-M498 WeakPolarHBondContact O-CB 3.38Å; S494-M498 PolarHBondContact O-N 2.8Å; D495-M498 CarbonylContact O-C 3.53Å; D495-M498 WeakPolarHBondContact O-CB 3.34Å; D495-M498 PolarHBondContact O-N 3.01Å; D495-M498 VanDerWaalsContact O-N 3.13Å; M498-M501 PolarHBondContact O-N 3.09Å; M498-G502 PolarHBondContact O-N 3.12Å; M498-G503 PolarHBondContact O-N 2.91Å; M498-D505 HydrophobicContact CE-CB 4.02Å; M498-I508 HydrophobicContact CE-CD1 4.43Å
499E96.6Very high96.5Very high120 Ų12039.3 Ų39.356%0.56124%0.24SC*.Hα-helixtrans-59.3-51.7171-171.8-163156.900111D495 I497 M501 G502D495-E499 PolarHBondContact O-N 3.12Å; I497-E499 PolarHBondContact O-N 3.2Å; E499-M501 PolarHBondContact O-N 3.23Å; E499-G502 PolarHBondContact O-N 3.24Å
500G95.8Very high96.5Very high11 Ų1141.3 Ų41.311%0.11325%0.249CC..Hα-helixtrans-58.3-36179.800000113.4L496 I497 G502 R520L496-G500 PolarHBondContact O-N 3.41Å; I497-G500 PolarHBondContact O-N 2.95Å; G500-G502 VanDerWaalsContact C-N 3.33Å; G500-R520 PolarHBondContact O-NH2 3.15Å; G500-R520 VanDerWaalsContact O-NH2 3.09Å
501M94.7Very high96.4Very high12 Ų1241.3 Ų41.36%0.05925%0.25CC..THydrogen-bonded Turntrans-81.5-2.1176.4-67.9-65.2-67.800114.3I497 M498 E499 E513 Q516 L517I497-M501 HydrophobicContact CG2-CG 4.28Å; I497-M501 VanDerWaalsContact O-CB 3.25Å; I497-M501 WeakPolarHBondContact O-CB 3.05Å; I497-M501 WeakPolarHBondContact O-CG 3.4Å; I497-M501 PolarHBondContact O-N 3.42Å; M498-M501 PolarHBondContact O-N 3.09Å; E499-M501 PolarHBondContact O-N 3.23Å; M501-E513 HydrophobicContact CE-CB 3.83Å; M501-E513 WeakPolarHBondContact CE-O 3.48Å; M501-Q516 HydrophobicContact CE-CB 4.47Å; M501-Q516 HydrophobicContact SD-CB 3.99Å; M501-L517 HydrophobicContact CG-CD2 4.06Å; M501-L517 HydrophobicContact CG-CG 4.42Å; M501-L517 HydrophobicContact SD-CD2 4.06Å; M501-L517 HydrophobicContact SD-CG 4.07Å
502G93.3Very high96.4Very high62 Ų6242.6 Ų42.664%0.63925%0.253SS*.THydrogen-bonded Turntrans77.638.9177.200000114.4M498 E499 G500M498-G502 PolarHBondContact O-N 3.12Å; E499-G502 PolarHBondContact O-N 3.24Å; G500-G502 VanDerWaalsContact C-N 3.33Å
503G94.1Very high96.4Very high56 Ų5642 Ų4258%0.57725%0.249SC*.SBendtrans80.811176.700000115.1M498M498-G503 PolarHBondContact O-N 2.91Å
504K92.6Very high96.4Very high105 Ų10541.8 Ų41.846%0.45725%0.248SC..  trans-88130.9-180-61174.5-173.71700110.9W507K504-W507 PolarHBondContact O-NE1 3.39Å
505D94.3Very high96.3Very high67 Ų6744.1 Ų44.136%0.35827%0.267SS..  trans-101.3-4.1176.377.6-36.4000113.6R233 M498 W507 I508R233-D505 IonicContact CZ-OD2 2.8Å; R233-D505 IonicContact NH1-OD2 3.1Å; R233-D505 PolarHBondContact NH1-OD2 2.68Å; M498-D505 HydrophobicContact CE-CB 4.02Å; D505-W507 PolarHBondContact O-N 3.47Å; D505-W507 VanDerWaalsContact O-N 3.1Å; D505-I508 HydrophobicContact CB-CD1 3.9Å; D505-I508 VanDerWaalsContact O-CB 3.31Å; D505-I508 WeakPolarHBondContact O-CB 2.97Å; D505-I508 WeakPolarHBondContact O-CD1 3.5Å; D505-I508 VanDerWaalsContact O-CG1 3.23Å; D505-I508 WeakPolarHBondContact O-CG1 3.38Å; D505-I508 PolarHBondContact O-N 3.16Å
506S95.1Very high96.3Very high44 Ų4444.5 Ų44.531%0.30827%0.266SS..G310 helixtrans-55.1-29.2-178.945.40000114.4I508 V509 N510 E513S506-I508 PolarHBondContact O-N 2.92Å; S506-I508 VanDerWaalsContact O-N 3.13Å; S506-V509 WeakPolarHBondContact O-CG2 3.38Å; S506-V509 PolarHBondContact O-N 3.02Å; S506-V509 VanDerWaalsContact O-N 3.16Å; S506-N510 PolarHBondContact O-N 3.26Å; S506-N510 VanDerWaalsContact O-N 3.12Å; S506-E513 VanDerWaalsContact CB-OE2 3.29Å; S506-E513 WeakPolarHBondContact CB-OE2 3.29Å; S506-E513 PolarHBondContact OG-OE2 3.36Å
507W96.6Very high96.2Very high0 Ų044.2 Ų44.20%026%0.264CS..G310 helixtrans-58.3-24.8175.766.8-98.3000113.7L486 L487 I497 K504 D505 V509 N510 L511 E513 I514L486-W507 HydrophobicContact CD2-CE3 4.42Å; L486-W507 HydrophobicContact CD2-CH2 3.85Å; L486-W507 HydrophobicContact CD2-CZ3 3.53Å; L486-W507 HydrophobicContact CG-CH2 4.09Å; L486-W507 HydrophobicContact CG-CZ3 4.11Å; L487-W507 HydrophobicContact CD1-CH2 4.46Å; I497-W507 HydrophobicContact CB-CZ2 4.48Å; I497-W507 HydrophobicContact CG2-CD2 4Å; I497-W507 HydrophobicContact CG2-CG 4.41Å; I497-W507 HydrophobicContact CG2-CH2 4.44Å; I497-W507 HydrophobicContact CG2-CZ2 3.89Å; K504-W507 PolarHBondContact O-NE1 3.39Å; D505-W507 PolarHBondContact O-N 3.47Å; D505-W507 VanDerWaalsContact O-N 3.1Å; W507-V509 PolarHBondContact O-N 3.34Å; W507-N510 CarbonylContact O-C 3.51Å; W507-N510 VanDerWaalsContact O-C 3.25Å; W507-N510 PolarHBondContact O-N 3.43Å; W507-L511 HydrophobicContact CE3-CD1 4.07Å; W507-L511 VanDerWaalsContact O-CA 3.3Å; W507-L511 WeakPolarHBondContact O-CA 3.17Å; W507-L511 PolarHBondContact O-N 2.83Å; W507-L511 VanDerWaalsContact O-N 3.14Å; W507-E513 HydrophobicContact CB-CB 4.11Å; W507-E513 PolarHBondContact N-OE2 2.89Å; W507-I514 HydrophobicContact CB-CG2 3.68Å; W507-I514 HydrophobicContact CD2-CG2 4.23Å; W507-I514 HydrophobicContact CE3-CG2 4.31Å; W507-I514 HydrophobicContact CG-CG2 3.99Å
508I96.5Very high96.2Very high1 Ų147.5 Ų47.51%0.00528%0.278CS..G310 helixtrans-64.6-22.8-179.5-60.7166.5000112Y232 P482 R483 L487 M498 D505 S506Y232-I508 HydrophobicContact CD1-CG2 3.93Å; Y232-I508 HydrophobicContact CD2-CG2 4.42Å; Y232-I508 HydrophobicContact CE1-CB 4.13Å; Y232-I508 HydrophobicContact CE1-CD1 4.46Å; Y232-I508 HydrophobicContact CE1-CG2 3.48Å; Y232-I508 VanDerWaalsContact CE1-CG2 3.48Å; Y232-I508 HydrophobicContact CE2-CG2 4.05Å; Y232-I508 HydrophobicContact CG-CG2 4.38Å; P482-I508 WeakPolarHBondContact CG-O 3.42Å; R483-I508 HydrophobicContact CG-CG2 3.59Å; R483-I508 PolarHBondContact NH1-O 2.96Å; L487-I508 HydrophobicContact CD1-CD1 4.16Å; L487-I508 HydrophobicContact CD2-CD1 3.87Å; L487-I508 HydrophobicContact CD2-CG1 4.26Å; L487-I508 HydrophobicContact CD2-CG2 3.73Å; M498-I508 HydrophobicContact CE-CD1 4.43Å; D505-I508 HydrophobicContact CB-CD1 3.9Å; D505-I508 VanDerWaalsContact O-CB 3.31Å; D505-I508 WeakPolarHBondContact O-CB 2.97Å; D505-I508 WeakPolarHBondContact O-CD1 3.5Å; D505-I508 VanDerWaalsContact O-CG1 3.23Å; D505-I508 WeakPolarHBondContact O-CG1 3.38Å; D505-I508 PolarHBondContact O-N 3.16Å; S506-I508 PolarHBondContact O-N 2.92Å; S506-I508 VanDerWaalsContact O-N 3.13Å
509V95.9Very high96.2Very high54 Ų5449.8 Ų49.833%0.32730%0.299SS..THydrogen-bonded Turntrans-118.6-0.5174.5-60.50000113.3T147 Y232 S506 W507T147-V509 HydrophobicContact CG2-CB 4.39Å; T147-V509 HydrophobicContact CG2-CG1 3.71Å; Y232-V509 HydrophobicContact CD1-CG1 3.69Å; Y232-V509 HydrophobicContact CG-CG1 4.4Å; S506-V509 WeakPolarHBondContact O-CG2 3.38Å; S506-V509 PolarHBondContact O-N 3.02Å; S506-V509 VanDerWaalsContact O-N 3.16Å; W507-V509 PolarHBondContact O-N 3.34Å
510N96.1Very high96.2Very high63 Ų6347.7 Ų47.734%0.33729%0.286SS..  trans-144.768.4178.4-172.321.9000110.7S506 W507 N512 E513S506-N510 PolarHBondContact O-N 3.26Å; S506-N510 VanDerWaalsContact O-N 3.12Å; W507-N510 CarbonylContact O-C 3.51Å; W507-N510 VanDerWaalsContact O-C 3.25Å; W507-N510 PolarHBondContact O-N 3.43Å; N510-N512 PolarHBondContact O-N 3.15Å; N510-E513 HydrophobicContact CB-CG 4.34Å; N510-E513 WeakPolarHBondContact CB-OE1 3.49Å; N510-E513 WeakPolarHBondContact ND2-CG 3.4Å; N510-E513 PolarHBondContact ND2-OE1 2.75Å; N510-E513 WeakPolarHBondContact O-CB 2.98Å; N510-E513 WeakPolarHBondContact O-CG 3.39Å; N510-E513 PolarHBondContact O-N 3.24Å
511L97.9Very high96.3Very high3 Ų349.1 Ų49.12%0.01629%0.291CS..G310 helixtrans-56.6-25.6-169-163.263.2000114.1P482 W507 E513 I514 L679P482-L511 HydrophobicContact CB-CD1 3.68Å; P482-L511 HydrophobicContact CB-CD2 4.16Å; P482-L511 HydrophobicContact CB-CG 4.46Å; P482-L511 HydrophobicContact CG-CD1 4.14Å; P482-L511 HydrophobicContact CG-CD2 4.45Å; W507-L511 HydrophobicContact CE3-CD1 4.07Å; W507-L511 VanDerWaalsContact O-CA 3.3Å; W507-L511 WeakPolarHBondContact O-CA 3.17Å; W507-L511 PolarHBondContact O-N 2.83Å; W507-L511 VanDerWaalsContact O-N 3.14Å; L511-E513 PolarHBondContact O-N 2.73Å; L511-I514 HydrophobicContact CD1-CD1 3.82Å; L511-I514 HydrophobicContact CD1-CG2 4.37Å; L511-I514 HydrophobicContact CG-CD1 4.05Å; L511-I514 VanDerWaalsContact O-CG1 3.3Å; L511-I514 WeakPolarHBondContact O-CG1 3.24Å; L511-I514 PolarHBondContact O-N 3.09Å; L511-I514 VanDerWaalsContact O-N 3.15Å; L511-L679 HydrophobicContact CD1-CD1 4.28Å; L511-L679 HydrophobicContact CD2-CD1 4.2Å
512N96.8Very high96.4Very high83 Ų8354.2 Ų54.244%0.44432%0.318SS..G310 helixtrans-54.2-24.1173.6-74.2-17.1000114N510 I514 A515 G805 K806N510-N512 PolarHBondContact O-N 3.15Å; N512-I514 PolarHBondContact O-N 2.9Å; N512-A515 WeakPolarHBondContact O-CB 3.38Å; N512-A515 PolarHBondContact O-N 3.27Å; N512-G805 WeakPolarHBondContact OD1-CA 3.24Å; N512-G805 PolarHBondContact OD1-O 3.38Å; N512-K806 PolarHBondContact OD1-N 2.71Å
513E97.7Very high96.6Very high42 Ų4253.5 Ų53.520%0.19630%0.3CS..G310 helixtrans-61.4-30.2178.4-71.9177-157.300113.1M501 S506 W507 N510 L511 A515 Q516M501-E513 HydrophobicContact CE-CB 3.83Å; M501-E513 WeakPolarHBondContact CE-O 3.48Å; S506-E513 VanDerWaalsContact CB-OE2 3.29Å; S506-E513 WeakPolarHBondContact CB-OE2 3.29Å; S506-E513 PolarHBondContact OG-OE2 3.36Å; W507-E513 HydrophobicContact CB-CB 4.11Å; W507-E513 PolarHBondContact N-OE2 2.89Å; N510-E513 HydrophobicContact CB-CG 4.34Å; N510-E513 WeakPolarHBondContact CB-OE1 3.49Å; N510-E513 WeakPolarHBondContact ND2-CG 3.4Å; N510-E513 PolarHBondContact ND2-OE1 2.75Å; N510-E513 WeakPolarHBondContact O-CB 2.98Å; N510-E513 WeakPolarHBondContact O-CG 3.39Å; N510-E513 PolarHBondContact O-N 3.24Å; L511-E513 PolarHBondContact O-N 2.73Å; E513-A515 PolarHBondContact O-N 3.49Å; E513-A515 VanDerWaalsContact O-N 3.08Å; E513-Q516 WeakPolarHBondContact O-CB 3.21Å; E513-Q516 PolarHBondContact O-N 3.26Å; E513-Q516 VanDerWaalsContact O-N 3.12Å; E513-Q516 PolarHBondContact O-NE2 3.03Å
514I98.2Very high96.8Very high0 Ų054.9 Ų54.90%030%0.297CS..G310 helixtrans-68-8.9-177.978.5-173.4000113.4I497 W507 L511 N512 Q516 L517 L679 I801I497-I514 HydrophobicContact CG2-CG2 4.12Å; W507-I514 HydrophobicContact CB-CG2 3.68Å; W507-I514 HydrophobicContact CD2-CG2 4.23Å; W507-I514 HydrophobicContact CE3-CG2 4.31Å; W507-I514 HydrophobicContact CG-CG2 3.99Å; L511-I514 HydrophobicContact CD1-CD1 3.82Å; L511-I514 HydrophobicContact CD1-CG2 4.37Å; L511-I514 HydrophobicContact CG-CD1 4.05Å; L511-I514 VanDerWaalsContact O-CG1 3.3Å; L511-I514 WeakPolarHBondContact O-CG1 3.24Å; L511-I514 PolarHBondContact O-N 3.09Å; L511-I514 VanDerWaalsContact O-N 3.15Å; N512-I514 PolarHBondContact O-N 2.9Å; I514-Q516 PolarHBondContact O-N 3.48Å; I514-Q516 VanDerWaalsContact O-N 3.15Å; I514-L517 HydrophobicContact CB-CD1 4.11Å; I514-L517 WeakPolarHBondContact O-CB 3.39Å; I514-L517 WeakPolarHBondContact O-CG 3.21Å; I514-L517 PolarHBondContact O-N 3.45Å; I514-L679 HydrophobicContact CD1-CD1 4.41Å; I514-I801 WeakPolarHBondContact CD1-O 3.39Å
515A98Very high97Very high49 Ų4954.4 Ų54.441%0.40530%0.299SS..G310 helixtrans-58-23.4168.800000112.8N512 E513 L517 K518 A802N512-A515 WeakPolarHBondContact O-CB 3.38Å; N512-A515 PolarHBondContact O-N 3.27Å; E513-A515 PolarHBondContact O-N 3.49Å; E513-A515 VanDerWaalsContact O-N 3.08Å; A515-L517 PolarHBondContact O-N 3.32Å; A515-K518 WeakPolarHBondContact O-CB 3.36Å; A515-K518 WeakPolarHBondContact O-CG 3.44Å; A515-K518 PolarHBondContact O-N 2.88Å; A515-K518 VanDerWaalsContact O-N 3.12Å; A515-A802 VanDerWaalsContact CA-O 3.24Å; A515-A802 WeakPolarHBondContact CA-O 3.13Å; A515-A802 PolarHBondContact N-O 3.49Å
516Q97Very high97.2Very high105 Ų10551.5 Ų51.549%0.49128%0.284SS..G310 helixtrans-59.5-26.4170.8-73.9163.993.400112.7M501 E513 I514 K518 S519M501-Q516 HydrophobicContact CE-CB 4.47Å; M501-Q516 HydrophobicContact SD-CB 3.99Å; E513-Q516 WeakPolarHBondContact O-CB 3.21Å; E513-Q516 PolarHBondContact O-N 3.26Å; E513-Q516 VanDerWaalsContact O-N 3.12Å; E513-Q516 PolarHBondContact O-NE2 3.03Å; I514-Q516 PolarHBondContact O-N 3.48Å; I514-Q516 VanDerWaalsContact O-N 3.15Å; Q516-K518 PolarHBondContact O-N 2.85Å; Q516-S519 WeakPolarHBondContact O-CB 3.05Å; Q516-S519 PolarHBondContact O-N 2.85Å; Q516-S519 VanDerWaalsContact O-N 3.15Å; Q516-S519 PolarHBondContact O-OG 2.94Å
517L98Very high97.4Very high1 Ų149.6 Ų49.61%0.00527%0.27CS..G310 helixtrans-66-16.4176.1-60.9177.4000113.5I497 M501 I514 A515 S519 R520 F526 L798 A802I497-L517 HydrophobicContact CB-CD1 4.38Å; I497-L517 HydrophobicContact CG1-CD1 3.86Å; I497-L517 HydrophobicContact CG2-CD1 4.19Å; M501-L517 HydrophobicContact CG-CD2 4.06Å; M501-L517 HydrophobicContact CG-CG 4.42Å; M501-L517 HydrophobicContact SD-CD2 4.06Å; M501-L517 HydrophobicContact SD-CG 4.07Å; I514-L517 HydrophobicContact CB-CD1 4.11Å; I514-L517 WeakPolarHBondContact O-CB 3.39Å; I514-L517 WeakPolarHBondContact O-CG 3.21Å; I514-L517 PolarHBondContact O-N 3.45Å; A515-L517 PolarHBondContact O-N 3.32Å; L517-S519 PolarHBondContact O-N 2.89Å; L517-S519 VanDerWaalsContact O-N 3.09Å; L517-R520 WeakPolarHBondContact O-CB 3.2Å; L517-R520 PolarHBondContact O-N 2.81Å; L517-F526 HydrophobicContact CD2-CZ 4.14Å; L517-L798 HydrophobicContact CB-CD1 4.03Å; L517-A802 HydrophobicContact CB-CB 3.99Å
518K97.7Very high97.4Very high70 Ų7055.9 Ų55.930%0.30429%0.294SS..G310 helixtrans-57.6-23.2171-63.1-169.1-177.2-164.40112A515 Q516 R520 I521 E698 M799 A802 S803A515-K518 WeakPolarHBondContact O-CB 3.36Å; A515-K518 WeakPolarHBondContact O-CG 3.44Å; A515-K518 PolarHBondContact O-N 2.88Å; A515-K518 VanDerWaalsContact O-N 3.12Å; Q516-K518 PolarHBondContact O-N 2.85Å; K518-R520 VanDerWaalsContact C-N 3.27Å; K518-R520 PolarHBondContact O-N 2.95Å; K518-I521 WeakPolarHBondContact O-CB 3.15Å; K518-I521 WeakPolarHBondContact O-CG2 3.1Å; K518-I521 PolarHBondContact O-N 3.44Å; K518-E698 PolarHBondContact NZ-O 2.97Å; K518-M799 HydrophobicContact CB-SD 4.47Å; K518-M799 HydrophobicContact CD-CE 4.07Å; K518-M799 HydrophobicContact CD-SD 4.21Å; K518-M799 HydrophobicContact CG-SD 4.07Å; K518-A802 HydrophobicContact CG-CB 3.63Å; K518-S803 WeakPolarHBondContact CE-OG 3.49Å; K518-S803 PolarHBondContact NZ-OG 2.86Å
519S96.8Very high97.5Very high97 Ų9758.5 Ų58.568%0.67831%0.306SS*.G310 helixtrans-65.7-23.2171.8650000114.3Q516 L517 I521Q516-S519 WeakPolarHBondContact O-CB 3.05Å; Q516-S519 PolarHBondContact O-N 2.85Å; Q516-S519 VanDerWaalsContact O-N 3.15Å; Q516-S519 PolarHBondContact O-OG 2.94Å; L517-S519 PolarHBondContact O-N 2.89Å; L517-S519 VanDerWaalsContact O-N 3.09Å; S519-I521 VanDerWaalsContact C-N 3.26Å; S519-I521 PolarHBondContact O-N 3.16Å
520R96.9Very high97.7Very high77 Ų7756.2 Ų56.229%0.29129%0.291SS..G310 helixtrans-82.26.2179.9-58.3-62.9-172.41444.4113.7G500 L517 K518 N522 D523 F526 L798G500-R520 PolarHBondContact O-NH2 3.15Å; G500-R520 VanDerWaalsContact O-NH2 3.09Å; L517-R520 WeakPolarHBondContact O-CB 3.2Å; L517-R520 PolarHBondContact O-N 2.81Å; K518-R520 VanDerWaalsContact C-N 3.27Å; K518-R520 PolarHBondContact O-N 2.95Å; R520-N522 PolarHBondContact O-N 3.17Å; R520-D523 HydrophobicContact CB-CB 4.17Å; R520-D523 IonicContact CZ-OD2 2.75Å; R520-D523 IonicContact NH1-OD2 3.14Å; R520-D523 PolarHBondContact NH1-OD2 2.87Å; R520-D523 WeakPolarHBondContact O-CB 3.1Å; R520-D523 PolarHBondContact O-N 3.26Å; R520-F526 HydrophobicContact CB-CD1 4.04Å; R520-F526 HydrophobicContact CB-CE1 4.48Å; R520-F526 HydrophobicContact CB-CG 4.16Å; R520-F526 HydrophobicContact CG-CD2 4.44Å; R520-F526 HydrophobicContact CG-CG 4.39Å; R520-L798 HydrophobicContact CB-CD2 3.92Å
521I97.5Very high97.8Very high40 Ų4053.8 Ų53.821%0.20528%0.278CS..THydrogen-bonded Turntrans-62.9-10.6-174.3-15961.9000115.4K518 S519 K795 L798 M799K518-I521 WeakPolarHBondContact O-CB 3.15Å; K518-I521 WeakPolarHBondContact O-CG2 3.1Å; K518-I521 PolarHBondContact O-N 3.44Å; S519-I521 VanDerWaalsContact C-N 3.26Å; S519-I521 PolarHBondContact O-N 3.16Å; I521-K795 HydrophobicContact CD1-CB 3.7Å; I521-K795 HydrophobicContact CD1-CD 4.48Å; I521-K795 HydrophobicContact CD1-CG 3.84Å; I521-K795 WeakPolarHBondContact CD1-O 3.25Å; I521-K795 HydrophobicContact CG1-CB 4.44Å; I521-K795 HydrophobicContact CG1-CD 4.38Å; I521-K795 HydrophobicContact CG1-CG 4.23Å; I521-K795 WeakPolarHBondContact O-CE 3.47Å; I521-K795 PolarHBondContact O-NZ 3.36Å; I521-L798 HydrophobicContact CB-CD2 4.46Å; I521-L798 HydrophobicContact CD1-CB 4.3Å; I521-L798 HydrophobicContact CD1-CD2 4.07Å; I521-L798 HydrophobicContact CD1-CG 4.37Å; I521-M799 HydrophobicContact CD1-CG 3.79Å; I521-M799 HydrophobicContact CD1-SD 4.17Å
522N97.8Very high97.8Very high119 Ų11959.3 Ų59.364%0.63630%0.299SS*.THydrogen-bonded Turntrans-120.58.6172.4-62.9-50000113.2R520 V524 K795R520-N522 PolarHBondContact O-N 3.17Å; N522-V524 PolarHBondContact O-N 2.82Å; N522-K795 PolarHBondContact OD1-NZ 3.13Å
523D97.8Very high97.9Very high48 Ų4855.6 Ų55.626%0.25728%0.279SS..  trans-82.190.6176-171.9-27.8000109.4R520 N525 F526 L527R520-D523 HydrophobicContact CB-CB 4.17Å; R520-D523 IonicContact CZ-OD2 2.75Å; R520-D523 IonicContact NH1-OD2 3.14Å; R520-D523 PolarHBondContact NH1-OD2 2.87Å; R520-D523 WeakPolarHBondContact O-CB 3.1Å; R520-D523 PolarHBondContact O-N 3.26Å; D523-N525 PolarHBondContact O-N 2.88Å; D523-N525 VanDerWaalsContact O-N 3.13Å; D523-N525 PolarHBondContact OD1-N 3.13Å; D523-F526 HydrophobicContact CB-CB 3.8Å; D523-F526 WeakPolarHBondContact O-CB 3.42Å; D523-F526 PolarHBondContact O-N 3.26Å; D523-F526 VanDerWaalsContact O-N 3.09Å; D523-F526 PolarHBondContact OD1-N 2.86Å; D523-F526 VanDerWaalsContact OD1-N 3.08Å; D523-L527 WeakPolarHBondContact O-CG 3.4Å; D523-L527 PolarHBondContact O-N 2.83Å
524V96.9Very high98Very high85 Ų8554 Ų5452%0.51527%0.271SS..Hα-helixtrans-58.2-27.9-174.9179.40000112.6N522 R528N522-V524 PolarHBondContact O-N 2.82Å; V524-R528 WeakPolarHBondContact O-CB 3.36Å; V524-R528 PolarHBondContact O-N 3.32Å; V524-R528 VanDerWaalsContact O-N 3.07Å
525N97.4Very high98Very high94 Ų9460.4 Ų60.450%0.50330%0.296SS..Hα-helixtrans-76.6-43.2177.1-68.4-29000111D523 L527 R528 H529D523-N525 PolarHBondContact O-N 2.88Å; D523-N525 VanDerWaalsContact O-N 3.13Å; D523-N525 PolarHBondContact OD1-N 3.13Å; N525-L527 PolarHBondContact O-N 2.92Å; N525-R528 PolarHBondContact O-N 3.4Å; N525-R528 PolarHBondContact OD1-NH1 3.5Å; N525-H529 PolarHBondContact O-N 3.42Å
526F98.3Very high98Very high7 Ų760.7 Ų60.73%0.03129%0.289CS..Hα-helixtrans-59.5-45.5173.4-162.8-88.1000111.9L496 L517 R520 D523 R528 H529 L530 L798L496-F526 HydrophobicContact CD1-CD2 3.79Å; L496-F526 HydrophobicContact CD1-CE2 3.65Å; L496-F526 HydrophobicContact CD1-CZ 4.27Å; L496-F526 HydrophobicContact CD2-CE1 4.39Å; L496-F526 HydrophobicContact CD2-CE2 4.39Å; L496-F526 HydrophobicContact CD2-CZ 4.23Å; L496-F526 HydrophobicContact CG-CD2 4.22Å; L496-F526 HydrophobicContact CG-CE1 4.44Å; L496-F526 HydrophobicContact CG-CE2 3.67Å; L496-F526 HydrophobicContact CG-CZ 3.79Å; L496-F526 WeakPolarHBondContact O-CE2 3.29Å; L517-F526 HydrophobicContact CD2-CZ 4.14Å; R520-F526 HydrophobicContact CB-CD1 4.04Å; R520-F526 HydrophobicContact CB-CE1 4.48Å; R520-F526 HydrophobicContact CB-CG 4.16Å; R520-F526 HydrophobicContact CG-CD2 4.44Å; R520-F526 HydrophobicContact CG-CG 4.39Å; D523-F526 HydrophobicContact CB-CB 3.8Å; D523-F526 WeakPolarHBondContact O-CB 3.42Å; D523-F526 PolarHBondContact O-N 3.26Å; D523-F526 VanDerWaalsContact O-N 3.09Å; D523-F526 PolarHBondContact OD1-N 2.86Å; D523-F526 VanDerWaalsContact OD1-N 3.08Å; F526-R528 PolarHBondContact O-N 3.12Å; F526-H529 PolarHBondContact O-N 3.29Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CD1-CG 4.28Å; F526-L530 HydrophobicContact CE1-CD1 4.03Å; F526-L530 HydrophobicContact CE1-CD2 4.37Å; F526-L530 HydrophobicContact CE1-CG 4.19Å; F526-L530 PolarHBondContact O-N 2.96Å; F526-L798 HydrophobicContact CD1-CD1 4.38Å; F526-L798 HydrophobicContact CD1-CD2 4.42Å; F526-L798 HydrophobicContact CE1-CD1 3.83Å
527L98.7Very high98.1Very high4 Ų456.3 Ų56.32%0.02127%0.268CS..Hα-helixtrans-61.8-40.7175.9-64.9-178.6000112.2D523 N525 H529 L530 I531 L791 S794 K795 L798D523-L527 WeakPolarHBondContact O-CG 3.4Å; D523-L527 PolarHBondContact O-N 2.83Å; N525-L527 PolarHBondContact O-N 2.92Å; L527-H529 VanDerWaalsContact C-N 3.34Å; L527-H529 PolarHBondContact O-N 3.29Å; L527-L530 HydrophobicContact CD2-CD1 4.23Å; L527-L530 PolarHBondContact O-N 3.44Å; L527-I531 PolarHBondContact O-N 3.34Å; L527-L791 HydrophobicContact CD1-CD1 3.98Å; L527-S794 WeakPolarHBondContact CD2-O 3.3Å; L527-K795 HydrophobicContact CD1-CG 3.82Å; L527-K795 HydrophobicContact CD2-CG 4.49Å; L527-L798 HydrophobicContact CD2-CB 4.13Å; L527-L798 HydrophobicContact CD2-CD2 3.88Å
528R98.4Very high98.1Very high132 Ų13256.3 Ų56.350%0.49827%0.268SS..Hα-helixtrans-64.3-37.5174.2-167.4-173.2-59.4112.42.8112V524 N525 F526 I531 R532V524-R528 WeakPolarHBondContact O-CB 3.36Å; V524-R528 PolarHBondContact O-N 3.32Å; V524-R528 VanDerWaalsContact O-N 3.07Å; N525-R528 PolarHBondContact O-N 3.4Å; N525-R528 PolarHBondContact OD1-NH1 3.5Å; F526-R528 PolarHBondContact O-N 3.12Å; R528-I531 PolarHBondContact O-N 2.99Å; R528-R532 WeakPolarHBondContact O-CB 3.49Å; R528-R532 PolarHBondContact O-N 2.73Å
529H98.6Very high98.2Very high56 Ų5655 Ų5526%0.25927%0.27SS..Hα-helixtrans-66.2-41.8176-72.2-176.1000112L496 N525 F526 L527 I531 R532 I533L496-H529 HydrophobicContact CD1-CB 3.77Å; L496-H529 HydrophobicContact CD2-CB 3.67Å; L496-H529 HydrophobicContact CG-CB 4.39Å; N525-H529 PolarHBondContact O-N 3.42Å; F526-H529 PolarHBondContact O-N 3.29Å; L527-H529 VanDerWaalsContact C-N 3.34Å; L527-H529 PolarHBondContact O-N 3.29Å; H529-I531 PolarHBondContact O-N 3.11Å; H529-R532 PolarHBondContact CD2-NH1 2.98Å; H529-R532 PolarHBondContact NE2-NH1 3.39Å; H529-R532 PolarHBondContact O-N 3.35Å; H529-I533 WeakPolarHBondContact O-CD1 3.45Å; H529-I533 VanDerWaalsContact O-CG1 3.28Å; H529-I533 WeakPolarHBondContact O-CG1 3.29Å; H529-I533 PolarHBondContact O-N 2.92Å
530L98.6Very high98.3Very high5 Ų556.1 Ų56.13%0.02626%0.263CS..Hα-helixtrans-55.5-48.9172.8-71.2172.2000112.1L493 L496 F526 L527 R532 I533 K534 M797 L798 I801L493-L530 HydrophobicContact CD1-CD2 3.48Å; L493-L530 VanDerWaalsContact CD1-CD2 3.48Å; L496-L530 HydrophobicContact CD2-CD2 3.75Å; L496-L530 HydrophobicContact CD2-CG 3.95Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CD1-CG 4.28Å; F526-L530 HydrophobicContact CE1-CD1 4.03Å; F526-L530 HydrophobicContact CE1-CD2 4.37Å; F526-L530 HydrophobicContact CE1-CG 4.19Å; F526-L530 PolarHBondContact O-N 2.96Å; L527-L530 HydrophobicContact CD2-CD1 4.23Å; L527-L530 PolarHBondContact O-N 3.44Å; L530-R532 PolarHBondContact O-N 3.35Å; L530-I533 PolarHBondContact O-N 2.96Å; L530-K534 PolarHBondContact O-N 2.95Å; L530-M797 HydrophobicContact CB-SD 3.97Å; L530-L798 HydrophobicContact CD1-CB 3.82Å; L530-L798 HydrophobicContact CD1-CD1 4.23Å; L530-L798 HydrophobicContact CD1-CG 4.48Å; L530-I801 HydrophobicContact CD2-CD1 3.81Å
531I98.5Very high98.3Very high12 Ų1252.6 Ų52.66%0.06225%0.25CS..Hα-helixtrans-65.4-37.7178.6-65.5-64.7000111.8L527 R528 H529 K534 R535 E790 M797L527-I531 PolarHBondContact O-N 3.34Å; R528-I531 PolarHBondContact O-N 2.99Å; H529-I531 PolarHBondContact O-N 3.11Å; I531-K534 PolarHBondContact O-N 3.03Å; I531-R535 VanDerWaalsContact CG2-NH1 3.28Å; I531-R535 WeakPolarHBondContact O-CG 3.42Å; I531-R535 PolarHBondContact O-N 3.38Å; I531-E790 HydrophobicContact CD1-CG 4.27Å; I531-E790 HydrophobicContact CG1-CG 4.05Å; I531-E790 HydrophobicContact CG2-CG 4.23Å; I531-M797 HydrophobicContact CD1-CE 4.18Å; I531-M797 HydrophobicContact CD1-SD 4.42Å
532R98.6Very high98.4Very high119 Ų11951.1 Ų51.145%0.44924%0.244SC..Hα-helixtrans-60.9-49174.9-162-168.868.5-130.4-6.6111.1R528 H529 L530 K534 R535 E536R528-R532 WeakPolarHBondContact O-CB 3.49Å; R528-R532 PolarHBondContact O-N 2.73Å; H529-R532 PolarHBondContact CD2-NH1 2.98Å; H529-R532 PolarHBondContact NE2-NH1 3.39Å; H529-R532 PolarHBondContact O-N 3.35Å; L530-R532 PolarHBondContact O-N 3.35Å; R532-K534 VanDerWaalsContact C-N 3.34Å; R532-K534 PolarHBondContact O-N 3.23Å; R532-R535 WeakPolarHBondContact O-CB 3.48Å; R532-R535 PolarHBondContact O-N 2.73Å; R532-R535 VanDerWaalsContact O-N 3.14Å; R532-E536 WeakPolarHBondContact CD-OE1 3.42Å; R532-E536 VanDerWaalsContact CG-OE1 3.31Å; R532-E536 WeakPolarHBondContact CG-OE1 3.36Å; R532-E536 IonicContact CZ-OE1 2.94Å; R532-E536 IonicContact NE-OE1 3.23Å; R532-E536 PolarHBondContact NE-OE1 3.14Å; R532-E536 IonicContact NH2-OE1 3.9Å; R532-E536 VanDerWaalsContact O-CG 3.31Å; R532-E536 WeakPolarHBondContact O-CG 3.31Å; R532-E536 PolarHBondContact O-N 2.92Å
533I98.8Very high98.4Very high6 Ų648.9 Ų48.93%0.03124%0.238CC..Hα-helixtrans-63.6-39.4179.3-65.2160.5000111.3N492 L493 L496 H529 L530 R535 E536 N537N492-I533 HydrophobicContact CB-CD1 4.41Å; N492-I533 HydrophobicContact CB-CG1 4.06Å; N492-I533 HydrophobicContact CB-CG2 3.91Å; N492-I533 WeakPolarHBondContact O-CD1 3.39Å; L493-I533 HydrophobicContact CB-CG2 4.15Å; L496-I533 HydrophobicContact CB-CD1 3.91Å; L496-I533 HydrophobicContact CD2-CD1 3.64Å; L496-I533 HydrophobicContact CG-CD1 4.38Å; H529-I533 WeakPolarHBondContact O-CD1 3.45Å; H529-I533 VanDerWaalsContact O-CG1 3.28Å; H529-I533 WeakPolarHBondContact O-CG1 3.29Å; H529-I533 PolarHBondContact O-N 2.92Å; L530-I533 PolarHBondContact O-N 2.96Å; I533-R535 PolarHBondContact O-N 3.06Å; I533-E536 PolarHBondContact O-N 3.03Å; I533-N537 WeakPolarHBondContact O-CB 3.34Å; I533-N537 PolarHBondContact O-N 2.97Å; I533-N537 PolarHBondContact O-ND2 3.16Å
534K98.7Very high98.4Very high8 Ų848.3 Ų48.34%0.03523%0.232CC..Hα-helixtrans-59.9-46.3173.1-173.959.759.71780111.2L530 I531 R532 N537 K538 P654 A656 E657 N680 M797L530-K534 PolarHBondContact O-N 2.95Å; I531-K534 PolarHBondContact O-N 3.03Å; R532-K534 VanDerWaalsContact C-N 3.34Å; R532-K534 PolarHBondContact O-N 3.23Å; K534-N537 PolarHBondContact O-N 3.47Å; K534-K538 HydrophobicContact CD-CD 4.48Å; K534-K538 HydrophobicContact CG-CD 4.18Å; K534-K538 VanDerWaalsContact O-CG 3.26Å; K534-K538 WeakPolarHBondContact O-CG 3.37Å; K534-K538 PolarHBondContact O-N 3.39Å; K534-P654 PolarHBondContact NZ-O 3.26Å; K534-A656 WeakPolarHBondContact CD-O 3.33Å; K534-A656 WeakPolarHBondContact CE-O 3.41Å; K534-A656 PolarHBondContact NZ-O 3.31Å; K534-E657 HydrophobicContact CD-CG 3.92Å; K534-E657 HydrophobicContact CG-CG 3.91Å; K534-N680 PolarHBondContact NZ-O 3.47Å; K534-M797 HydrophobicContact CB-CE 4.23Å; K534-M797 HydrophobicContact CG-CE 4.06Å
535R98.6Very high98.4Very high135 Ų13544.2 Ų44.251%0.50921%0.207SC..Hα-helixtrans-62.6-42176.2-73.3173170.3143.57.4112.6I531 R532 I533 K538 A539 E790I531-R535 VanDerWaalsContact CG2-NH1 3.28Å; I531-R535 WeakPolarHBondContact O-CG 3.42Å; I531-R535 PolarHBondContact O-N 3.38Å; R532-R535 WeakPolarHBondContact O-CB 3.48Å; R532-R535 PolarHBondContact O-N 2.73Å; R532-R535 VanDerWaalsContact O-N 3.14Å; I533-R535 PolarHBondContact O-N 3.06Å; R535-K538 PolarHBondContact O-N 3.03Å; R535-A539 PolarHBondContact O-N 2.81Å; R535-E790 IonicContact CZ-OE2 3.41Å; R535-E790 VanDerWaalsContact CZ-OE2 3.24Å; R535-E790 IonicContact NH1-OE1 2.76Å; R535-E790 IonicContact NH1-OE2 3.6Å; R535-E790 PolarHBondContact NH1-OE2 3.4Å; R535-E790 IonicContact NH2-OE2 3.6Å; R535-E790 PolarHBondContact NH2-OE2 3.15Å
536E98.8Very high98.4Very high55 Ų5544.3 Ų44.326%0.25721%0.205SC..Hα-helixtrans-57.7-48.6173.9-70.5161.5-15900111.3N492 R532 I533 A539 K540N492-E536 PolarHBondContact ND2-OE2 3.06Å; R532-E536 WeakPolarHBondContact CD-OE1 3.42Å; R532-E536 VanDerWaalsContact CG-OE1 3.31Å; R532-E536 WeakPolarHBondContact CG-OE1 3.36Å; R532-E536 IonicContact CZ-OE1 2.94Å; R532-E536 IonicContact NE-OE1 3.23Å; R532-E536 PolarHBondContact NE-OE1 3.14Å; R532-E536 IonicContact NH2-OE1 3.9Å; R532-E536 VanDerWaalsContact O-CG 3.31Å; R532-E536 WeakPolarHBondContact O-CG 3.31Å; R532-E536 PolarHBondContact O-N 2.92Å; I533-E536 PolarHBondContact O-N 3.03Å; E536-A539 PolarHBondContact O-N 2.76Å; E536-K540 WeakPolarHBondContact O-CG 3.48Å; E536-K540 PolarHBondContact O-N 3.07Å
537N98.8Very high98.3Very high12 Ų1251.2 Ų51.26%0.06424%0.237CC..Hα-helixtrans-67-37179.4-69.6-21.7000112.6N490 I533 K534 K540 F541 P654 A655N490-N537 PolarHBondContact OD1-ND2 3.32Å; I533-N537 WeakPolarHBondContact O-CB 3.34Å; I533-N537 PolarHBondContact O-N 2.97Å; I533-N537 PolarHBondContact O-ND2 3.16Å; K534-N537 PolarHBondContact O-N 3.47Å; N537-K540 PolarHBondContact O-N 3.29Å; N537-F541 WeakPolarHBondContact O-CB 3.45Å; N537-F541 PolarHBondContact O-N 3.07Å; N537-P654 HydrophobicContact CB-CB 4.05Å; N537-P654 WeakPolarHBondContact CB-O 3.29Å; N537-P654 WeakPolarHBondContact ND2-CB 3.04Å; N537-P654 PolarHBondContact ND2-O 2.94Å; N537-A655 HydrophobicContact CB-CB 4.45Å
538K98.7Very high98Very high1 Ų155.9 Ų55.90%0.00426%0.258CS..Hα-helixtrans-64.1-39.8173.4-71.3173.777.6-166.20112.6K534 R535 F541 A542 P555 S557 F559 A655 E657 Y787K534-K538 HydrophobicContact CD-CD 4.48Å; K534-K538 HydrophobicContact CG-CD 4.18Å; K534-K538 VanDerWaalsContact O-CG 3.26Å; K534-K538 WeakPolarHBondContact O-CG 3.37Å; K534-K538 PolarHBondContact O-N 3.39Å; R535-K538 PolarHBondContact O-N 3.03Å; K538-F541 PolarHBondContact O-N 3.27Å; K538-A542 VanDerWaalsContact O-CB 3.32Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 3.18Å; K538-P555 HydrophobicContact CB-CB 4.17Å; K538-P555 WeakPolarHBondContact CE-O 3.49Å; K538-P555 PolarHBondContact NZ-O 2.88Å; K538-S557 WeakPolarHBondContact CE-O 3.3Å; K538-S557 PolarHBondContact NZ-O 2.97Å; K538-F559 HydrophobicContact CB-CD2 4.2Å; K538-F559 HydrophobicContact CB-CE2 3.73Å; K538-F559 HydrophobicContact CB-CZ 3.98Å; K538-F559 HydrophobicContact CD-CD2 4.32Å; K538-F559 HydrophobicContact CD-CG 4.3Å; K538-F559 VanDerWaalsContact CE-CG 3.44Å; K538-F559 HydrophobicContact CG-CD2 3.67Å; K538-F559 HydrophobicContact CG-CE2 3.74Å; K538-F559 HydrophobicContact CG-CG 4.14Å; K538-F559 HydrophobicContact CG-CZ 4.28Å; K538-A655 HydrophobicContact CG-CB 4.42Å; K538-A655 WeakPolarHBondContact CG-O 3.38Å; K538-E657 VanDerWaalsContact CD-CD 3.48Å; K538-E657 HydrophobicContact CD-CG 4.12Å; K538-E657 WeakPolarHBondContact CD-OE1 3.32Å; K538-E657 WeakPolarHBondContact CE-OE1 3.41Å; K538-E657 WeakPolarHBondContact CE-OE2 3.49Å; K538-E657 IonicContact NZ-OE1 2.68Å; K538-E657 PolarHBondContact NZ-OE1 3.13Å; K538-E657 IonicContact NZ-OE2 3.46Å; K538-E657 PolarHBondContact NZ-OE2 3.01Å; K538-Y787 PolarHBondContact NZ-OH 3Å
539A98.8Very high97.8Very high42 Ų4252.8 Ų52.835%0.34725%0.247SC..Hα-helixtrans-64.5-48.5174.700000111.4R535 E536 F541 A542 S543R535-A539 PolarHBondContact O-N 2.81Å; E536-A539 PolarHBondContact O-N 2.76Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 2.63Å; A539-A542 PolarHBondContact O-N 2.92Å; A539-S543 PolarHBondContact O-N 3.33Å; A539-S543 PolarHBondContact O-OG 2.9Å
540K98.2Very high97.6Very high122 Ų12253.1 Ų53.153%0.5327%0.266SS..Hα-helixtrans-54.3-46.2174.5-72.3174.1176.6-179.30112.1E536 N537 S543 Y544E536-K540 WeakPolarHBondContact O-CG 3.48Å; E536-K540 PolarHBondContact O-N 3.07Å; N537-K540 PolarHBondContact O-N 3.29Å; K540-S543 PolarHBondContact O-N 3.16Å; K540-Y544 PolarHBondContact O-N 2.66Å
541F98.6Very high97.3Very high3 Ų354.4 Ų54.41%0.01327%0.274CS..Hα-helixtrans-72-32.2179.7-170.8-130.9000113N537 K538 A539 Y544 L545 F559 I561 M600 L641 L648 K651 I652 A655N537-F541 WeakPolarHBondContact O-CB 3.45Å; N537-F541 PolarHBondContact O-N 3.07Å; K538-F541 PolarHBondContact O-N 3.27Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 2.63Å; F541-Y544 AromaticContact CD2-CD1 3.98Å; F541-Y544 HydrophobicContact CD2-CD1 3.98Å; F541-Y544 AromaticContact CE2-CD1 3.91Å; F541-Y544 HydrophobicContact CE2-CD1 3.91Å; F541-Y544 HydrophobicContact CE2-CE1 4.39Å; F541-Y544 PolarHBondContact O-N 3.36Å; F541-L545 HydrophobicContact CD1-CD1 4.06Å; F541-L545 HydrophobicContact CD2-CG 4.43Å; F541-L545 HydrophobicContact CE1-CD1 3.77Å; F541-L545 HydrophobicContact CE1-CG 4.43Å; F541-L545 HydrophobicContact CE2-CD1 4.34Å; F541-L545 HydrophobicContact CE2-CD2 4.23Å; F541-L545 HydrophobicContact CE2-CG 4.12Å; F541-L545 HydrophobicContact CG-CD1 4.47Å; F541-L545 HydrophobicContact CZ-CD1 3.9Å; F541-L545 HydrophobicContact CZ-CD2 4.1Å; F541-L545 HydrophobicContact CZ-CG 4.11Å; F541-L545 WeakPolarHBondContact O-CG 3.45Å; F541-L545 PolarHBondContact O-N 3.33Å; F541-F559 HydrophobicContact CD1-CD2 4.43Å; F541-F559 HydrophobicContact CD1-CE2 4.13Å; F541-I561 HydrophobicContact CE1-CD1 4.44Å; F541-M600 HydrophobicContact CD1-SD 4.46Å; F541-M600 HydrophobicContact CE1-CE 4.41Å; F541-M600 HydrophobicContact CE1-SD 3.69Å; F541-L641 HydrophobicContact CZ-CD1 4.14Å; F541-L641 HydrophobicContact CZ-CD2 4.46Å; F541-L648 HydrophobicContact CE2-CD1 4.33Å; F541-K651 HydrophobicContact CD2-CB 4.03Å; F541-K651 HydrophobicContact CE2-CB 4.39Å; F541-I652 HydrophobicContact CE1-CG1 4.12Å; F541-I652 HydrophobicContact CE2-CG1 3.93Å; F541-I652 HydrophobicContact CZ-CD1 4.49Å; F541-I652 HydrophobicContact CZ-CG1 3.5Å; F541-I652 VanDerWaalsContact CZ-CG1 3.5Å; F541-A655 HydrophobicContact CB-CB 3.66Å; F541-A655 HydrophobicContact CD1-CB 3.93Å; F541-A655 HydrophobicContact CG-CB 4.07Å
542A98.6Very high97.2Very high9 Ų957.9 Ų57.97%0.07430%0.296CS..Hα-helixtrans-63.2-46.2172.100000112.1K538 A539 Y544 L545 E546 I553 P555K538-A542 VanDerWaalsContact O-CB 3.32Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 3.18Å; A539-A542 PolarHBondContact O-N 2.92Å; A542-Y544 VanDerWaalsContact C-N 3.33Å; A542-Y544 PolarHBondContact O-N 3.19Å; A542-L545 PolarHBondContact O-N 2.9Å; A542-E546 PolarHBondContact O-N 3.02Å; A542-I553 HydrophobicContact CB-CD1 4.01Å; A542-I553 HydrophobicContact CB-CG1 3.52Å; A542-P555 HydrophobicContact CB-CB 4.42Å
543S98.4Very high97Very high72 Ų7253 Ų5350%0.50328%0.278SS..Hα-helixtrans-62.6-38.8174.7-610000112.3A539 K540 E546 Q547A539-S543 PolarHBondContact O-N 3.33Å; A539-S543 PolarHBondContact O-OG 2.9Å; K540-S543 PolarHBondContact O-N 3.16Å; S543-E546 PolarHBondContact O-N 2.66Å; S543-Q547 WeakPolarHBondContact O-CB 3.35Å; S543-Q547 PolarHBondContact O-N 3.24Å
544Y97.2Very high96.9Very high35 Ų3556 Ų5614%0.13730%0.295CS..Hα-helixtrans-62.5-41.5174.3175.1-91.3000112.6K540 F541 A542 Q547 H548 Y549 L648 K651K540-Y544 PolarHBondContact O-N 2.66Å; F541-Y544 AromaticContact CD2-CD1 3.98Å; F541-Y544 HydrophobicContact CD2-CD1 3.98Å; F541-Y544 AromaticContact CE2-CD1 3.91Å; F541-Y544 HydrophobicContact CE2-CD1 3.91Å; F541-Y544 HydrophobicContact CE2-CE1 4.39Å; F541-Y544 PolarHBondContact O-N 3.36Å; A542-Y544 VanDerWaalsContact C-N 3.33Å; A542-Y544 PolarHBondContact O-N 3.19Å; Y544-Q547 PolarHBondContact O-N 2.96Å; Y544-H548 AromaticContact CD2-CD2 3.27Å; Y544-H548 WeakPolarHBondContact CD2-CD2 3.45Å; Y544-H548 AromaticContact CD2-NE2 3.65Å; Y544-H548 HydrophobicContact CE1-CB 4.48Å; Y544-H548 HydrophobicContact CE2-CB 4.37Å; Y544-H548 AromaticContact CE2-CD2 3.18Å; Y544-H548 WeakPolarHBondContact CE2-CD2 3.45Å; Y544-H548 AromaticContact CE2-CG 3.7Å; Y544-H548 AromaticContact CE2-NE2 3.45Å; Y544-H548 WeakPolarHBondContact CE2-NE2 3.22Å; Y544-H548 AromaticContact CZ-CD2 3.86Å; Y544-H548 AromaticContact CZ-CG 3.95Å; Y544-H548 WeakPolarHBondContact O-CB 3.44Å; Y544-H548 PolarHBondContact O-CD2 2.55Å; Y544-H548 PolarHBondContact O-N 3.15Å; Y544-Y549 AromaticContact CE1-CE2 3.81Å; Y544-Y549 HydrophobicContact CE1-CE2 3.81Å; Y544-L648 HydrophobicContact CD1-CD1 4.3Å; Y544-L648 HydrophobicContact CE1-CD1 3.3Å; Y544-K651 HydrophobicContact CD1-CD 4.28Å; Y544-K651 HydrophobicContact CD2-CD 3.66Å; Y544-K651 HydrophobicContact CE1-CD 4.37Å; Y544-K651 HydrophobicContact CE2-CD 3.75Å; Y544-K651 HydrophobicContact CG-CD 3.95Å
545L97.5Very high96.8Very high0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-69.5-32176-70.1170000112.7F541 A542 Y549 G550 V551 I553 M600 L641F541-L545 HydrophobicContact CD1-CD1 4.06Å; F541-L545 HydrophobicContact CD2-CG 4.43Å; F541-L545 HydrophobicContact CE1-CD1 3.77Å; F541-L545 HydrophobicContact CE1-CG 4.43Å; F541-L545 HydrophobicContact CE2-CD1 4.34Å; F541-L545 HydrophobicContact CE2-CD2 4.23Å; F541-L545 HydrophobicContact CE2-CG 4.12Å; F541-L545 HydrophobicContact CG-CD1 4.47Å; F541-L545 HydrophobicContact CZ-CD1 3.9Å; F541-L545 HydrophobicContact CZ-CD2 4.1Å; F541-L545 HydrophobicContact CZ-CG 4.11Å; F541-L545 WeakPolarHBondContact O-CG 3.45Å; F541-L545 PolarHBondContact O-N 3.33Å; A542-L545 PolarHBondContact O-N 2.9Å; L545-Y549 HydrophobicContact CD2-CD2 3.77Å; L545-Y549 HydrophobicContact CD2-CE2 4.03Å; L545-Y549 HydrophobicContact CD2-CG 4.2Å; L545-Y549 CarbonylContact O-C 3.58Å; L545-Y549 WeakPolarHBondContact O-CA 3.29Å; L545-Y549 WeakPolarHBondContact O-CB 3.36Å; L545-Y549 PolarHBondContact O-N 3.13Å; L545-Y549 VanDerWaalsContact O-N 3.09Å; L545-G550 PolarHBondContact O-N 2.98Å; L545-V551 PolarHBondContact O-N 3.09Å; L545-I553 HydrophobicContact CD1-CD1 3.67Å; L545-M600 HydrophobicContact CD1-SD 3.95Å; L545-L641 HydrophobicContact CD2-CD2 3.64Å
546E97.8Very high96.7Very high95 Ų9554.9 Ų54.944%0.44431%0.311SS..Hα-helixtrans-67.2-47.2171.5-173.6156.2-111.700111.5A542 S543 G550 T552A542-E546 PolarHBondContact O-N 3.02Å; S543-E546 PolarHBondContact O-N 2.66Å; E546-G550 VanDerWaalsContact O-CA 3.25Å; E546-G550 WeakPolarHBondContact O-CA 3.48Å; E546-G550 PolarHBondContact O-N 2.82Å; E546-G550 VanDerWaalsContact O-N 3.11Å; E546-T552 VanDerWaalsContact OE1-CB 3.24Å; E546-T552 WeakPolarHBondContact OE1-CB 3.22Å; E546-T552 WeakPolarHBondContact OE1-CG2 3.27Å; E546-T552 PolarHBondContact OE1-OG1 3Å
547Q95.5Very high96.6Very high153 Ų15352.4 Ų52.472%0.71530%0.3SS*.Hα-helixtrans-68.2-44.3-179.2-179177.2-1.200113.8S543 Y544S543-Q547 WeakPolarHBondContact O-CB 3.35Å; S543-Q547 PolarHBondContact O-N 3.24Å; Y544-Q547 PolarHBondContact O-N 2.96Å
548H93.1Very high96.6Very high101 Ų10151.9 Ų51.947%0.46830%0.297SS..Hα-helixtrans-99.3-20.8-171.1-69.2-90.5000114.6Y544Y544-H548 AromaticContact CD2-CD2 3.27Å; Y544-H548 WeakPolarHBondContact CD2-CD2 3.45Å; Y544-H548 AromaticContact CD2-NE2 3.65Å; Y544-H548 HydrophobicContact CE1-CB 4.48Å; Y544-H548 HydrophobicContact CE2-CB 4.37Å; Y544-H548 AromaticContact CE2-CD2 3.18Å; Y544-H548 WeakPolarHBondContact CE2-CD2 3.45Å; Y544-H548 AromaticContact CE2-CG 3.7Å; Y544-H548 AromaticContact CE2-NE2 3.45Å; Y544-H548 WeakPolarHBondContact CE2-NE2 3.22Å; Y544-H548 AromaticContact CZ-CD2 3.86Å; Y544-H548 AromaticContact CZ-CG 3.95Å; Y544-H548 WeakPolarHBondContact O-CB 3.44Å; Y544-H548 PolarHBondContact O-CD2 2.55Å; Y544-H548 PolarHBondContact O-N 3.15Å
549Y92.7Very high96.6Very high68 Ų6851.8 Ų51.827%0.26730%0.297SS..Hα-helixtrans-120.8-9.5-178.5-60.9-111.3000112.5Y544 L545 V551 E642 L648Y544-Y549 AromaticContact CE1-CE2 3.81Å; Y544-Y549 HydrophobicContact CE1-CE2 3.81Å; L545-Y549 HydrophobicContact CD2-CD2 3.77Å; L545-Y549 HydrophobicContact CD2-CE2 4.03Å; L545-Y549 HydrophobicContact CD2-CG 4.2Å; L545-Y549 CarbonylContact O-C 3.58Å; L545-Y549 WeakPolarHBondContact O-CA 3.29Å; L545-Y549 WeakPolarHBondContact O-CB 3.36Å; L545-Y549 PolarHBondContact O-N 3.13Å; L545-Y549 VanDerWaalsContact O-N 3.09Å; Y549-V551 VanDerWaalsContact C-N 3.28Å; Y549-V551 WeakPolarHBondContact O-CG2 3.39Å; Y549-V551 PolarHBondContact O-N 2.98Å; Y549-E642 HydrophobicContact CE1-CB 3.99Å; Y549-E642 PolarHBondContact OH-O 3.19Å; Y549-E642 VanDerWaalsContact OH-O 3.07Å; Y549-L648 WeakPolarHBondContact OH-CD2 3.31Å
550G94.7Very high96.6Very high63 Ų6349.8 Ų49.865%0.64928%0.28SS*.  trans70.421.2-173.300000113.7L545 E546L545-G550 PolarHBondContact O-N 2.98Å; E546-G550 VanDerWaalsContact O-CA 3.25Å; E546-G550 WeakPolarHBondContact O-CA 3.48Å; E546-G550 PolarHBondContact O-N 2.82Å; E546-G550 VanDerWaalsContact O-N 3.11Å
551V93.3Very high96.7Very high31 Ų3144 Ų4419%0.18826%0.255CS..  trans-113.988.6-170.4-170.40000112L545 Y549 I553 I639L545-V551 PolarHBondContact O-N 3.09Å; Y549-V551 VanDerWaalsContact C-N 3.28Å; Y549-V551 WeakPolarHBondContact O-CG2 3.39Å; Y549-V551 PolarHBondContact O-N 2.98Å; V551-I553 HydrophobicContact CG1-CG2 4.12Å; V551-I553 PolarHBondContact O-N 2.81Å; V551-I639 HydrophobicContact CG1-CD1 3.6Å; V551-I639 HydrophobicContact CG1-CG1 4.06Å
552T95.2Very high96.7Very high86 Ų8643.9 Ų43.953%0.52826%0.255SS..  trans-56.9127.8168.7-41.90000111.2E546 K637E546-T552 VanDerWaalsContact OE1-CB 3.24Å; E546-T552 WeakPolarHBondContact OE1-CB 3.22Å; E546-T552 WeakPolarHBondContact OE1-CG2 3.27Å; E546-T552 PolarHBondContact OE1-OG1 3Å; T552-K637 PolarHBondContact O-NZ 3.22Å
553I95.9Very high96.6Very high16 Ų1643.6 Ų43.68%0.08225%0.252CS..  trans-129.3160.6175.664.8171.3000111.8A542 L545 V551 P555 F559 T598 K637 I639A542-I553 HydrophobicContact CB-CD1 4.01Å; A542-I553 HydrophobicContact CB-CG1 3.52Å; L545-I553 HydrophobicContact CD1-CD1 3.67Å; V551-I553 HydrophobicContact CG1-CG2 4.12Å; V551-I553 PolarHBondContact O-N 2.81Å; I553-P555 VanDerWaalsContact O-CD 3.29Å; I553-P555 WeakPolarHBondContact O-CD 3.32Å; I553-F559 HydrophobicContact CD1-CE1 3.86Å; I553-F559 HydrophobicContact CD1-CE2 4.03Å; I553-F559 HydrophobicContact CD1-CZ 3.37Å; I553-F559 HydrophobicContact CG1-CZ 4.25Å; I553-T598 HydrophobicContact CB-CG2 4.39Å; I553-T598 HydrophobicContact CD1-CG2 4.29Å; I553-T598 HydrophobicContact CG2-CG2 4.12Å; I553-K637 HydrophobicContact CG2-CD 4.11Å; I553-I639 HydrophobicContact CG2-CD1 3.48Å; I553-I639 VanDerWaalsContact CG2-CD1 3.48Å
554N95.9Very high96.4Very high70 Ų7041.2 Ų41.237%0.37423%0.233SC..  trans-90.7108.3177178.23.2000110.6A556 S557N554-A556 PolarHBondContact O-N 2.75Å; N554-A556 VanDerWaalsContact O-N 3.12Å; N554-A556 WeakPolarHBondContact OD1-CB 3.48Å; N554-A556 PolarHBondContact OD1-N 3.39Å; N554-S557 WeakPolarHBondContact O-CB 3.49Å; N554-S557 PolarHBondContact O-N 3.05Å; N554-S557 PolarHBondContact O-OG 3.29Å
555P97.2Very high96.2Very high50 Ų5043.9 Ų43.933%0.32524%0.243SC..THydrogen-bonded Turntrans-68.2-7.618029.4-36.1000114.4K538 A542 I553 F559K538-P555 HydrophobicContact CB-CB 4.17Å; K538-P555 WeakPolarHBondContact CE-O 3.49Å; K538-P555 PolarHBondContact NZ-O 2.88Å; A542-P555 HydrophobicContact CB-CB 4.42Å; I553-P555 VanDerWaalsContact O-CD 3.29Å; I553-P555 WeakPolarHBondContact O-CD 3.32Å; P555-F559 HydrophobicContact CB-CZ 4.47Å
556A96.2Very high96.1Very high69 Ų6944 Ų4457%0.5724%0.243SC*.THydrogen-bonded Turntrans-83.9-18.6170.300000113.6N554 Y787N554-A556 PolarHBondContact O-N 2.75Å; N554-A556 VanDerWaalsContact O-N 3.12Å; N554-A556 WeakPolarHBondContact OD1-CB 3.48Å; N554-A556 PolarHBondContact OD1-N 3.39Å; A556-Y787 PolarHBondContact O-OH 2.89Å; A556-Y787 VanDerWaalsContact O-OH 3.06Å
557S97.6Very high96Very high3 Ų341.5 Ų41.52%0.02123%0.231CC..SBendtrans-68.3152.3174.267.50000111.6K538 N554 F559 P596 T598K538-S557 WeakPolarHBondContact CE-O 3.3Å; K538-S557 PolarHBondContact NZ-O 2.97Å; N554-S557 WeakPolarHBondContact O-CB 3.49Å; N554-S557 PolarHBondContact O-N 3.05Å; N554-S557 PolarHBondContact O-OG 3.29Å; S557-F559 WeakPolarHBondContact O-CD1 3.48Å; S557-F559 PolarHBondContact O-N 3.29Å; S557-P596 CarbonylContact C-O 3.58Å; S557-P596 WeakPolarHBondContact CA-O 3.36Å; S557-P596 VanDerWaalsContact CB-O 3.26Å; S557-P596 WeakPolarHBondContact CB-O 3.4Å; S557-T598 PolarHBondContact OG-OG1 2.89Å
558L98.6Very high96Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-59.3122.1173.117766.4000109.6D560 P596 R597 T598 E657 L658 V783 Y787 W793L558-D560 PolarHBondContact O-N 2.96Å; L558-P596 PolarHBondContact N-O 2.74Å; L558-R597 HydrophobicContact CB-CG 4.34Å; L558-R597 HydrophobicContact CD2-CG 4.39Å; L558-T598 PolarHBondContact O-N 3.28Å; L558-E657 WeakPolarHBondContact CA-OE2 3.37Å; L558-E657 HydrophobicContact CD1-CB 3.7Å; L558-L658 HydrophobicContact CD1-CB 4.39Å; L558-V783 HydrophobicContact CD2-CG1 3.89Å; L558-Y787 HydrophobicContact CB-CD1 4.22Å; L558-Y787 HydrophobicContact CB-CE1 3.97Å; L558-Y787 HydrophobicContact CD1-CD1 4.32Å; L558-Y787 HydrophobicContact CD1-CD2 3.67Å; L558-Y787 HydrophobicContact CD1-CE1 4.46Å; L558-Y787 HydrophobicContact CD1-CE2 3.84Å; L558-Y787 HydrophobicContact CD1-CG 3.93Å; L558-W793 HydrophobicContact CD1-CH2 4.41Å; L558-W793 HydrophobicContact CD1-CZ2 4.23Å
559F98.8Very high96.2Very high0 Ų032.9 Ų32.90%019%0.19CC..EExtended strand (participates in β ladder)trans-87.8101.6175.4-83.223.6000109.8K538 F541 I553 P555 S557 I561 M600 A655 E657 L658K538-F559 HydrophobicContact CB-CD2 4.2Å; K538-F559 HydrophobicContact CB-CE2 3.73Å; K538-F559 HydrophobicContact CB-CZ 3.98Å; K538-F559 HydrophobicContact CD-CD2 4.32Å; K538-F559 HydrophobicContact CD-CG 4.3Å; K538-F559 VanDerWaalsContact CE-CG 3.44Å; K538-F559 HydrophobicContact CG-CD2 3.67Å; K538-F559 HydrophobicContact CG-CE2 3.74Å; K538-F559 HydrophobicContact CG-CG 4.14Å; K538-F559 HydrophobicContact CG-CZ 4.28Å; F541-F559 HydrophobicContact CD1-CD2 4.43Å; F541-F559 HydrophobicContact CD1-CE2 4.13Å; I553-F559 HydrophobicContact CD1-CE1 3.86Å; I553-F559 HydrophobicContact CD1-CE2 4.03Å; I553-F559 HydrophobicContact CD1-CZ 3.37Å; I553-F559 HydrophobicContact CG1-CZ 4.25Å; P555-F559 HydrophobicContact CB-CZ 4.47Å; S557-F559 WeakPolarHBondContact O-CD1 3.48Å; S557-F559 PolarHBondContact O-N 3.29Å; F559-I561 HydrophobicContact CB-CD1 4.47Å; F559-M600 HydrophobicContact CB-CE 3.96Å; F559-M600 HydrophobicContact CD1-CE 4.1Å; F559-M600 HydrophobicContact CD2-CE 3.75Å; F559-M600 HydrophobicContact CE2-CE 4.29Å; F559-M600 HydrophobicContact CG-CE 3.67Å; F559-A655 HydrophobicContact CD2-CB 4.24Å; F559-A655 HydrophobicContact CE2-CB 4.44Å; F559-E657 PolarHBondContact N-OE2 3.38Å; F559-E657 PolarHBondContact O-N 3.03Å; F559-L658 PolarHBondContact O-N 3.17Å
560D98.9Very high96.3Very high0 Ų030.2 Ų30.20%018%0.18CC..EExtended strand (participates in β ladder)trans-107.5111-172.1179.9-18.7000109.2L558 R597 T598 V599 M600 L658 E660L558-D560 PolarHBondContact O-N 2.96Å; D560-R597 HydrophobicContact CB-CG 4.06Å; D560-R597 WeakPolarHBondContact OD2-CD 3.22Å; D560-R597 IonicContact OD2-CZ 2.89Å; D560-R597 IonicContact OD2-NE 2.81Å; D560-R597 IonicContact OD2-NH1 3.49Å; D560-R597 PolarHBondContact OD2-NH1 2.94Å; D560-T598 PolarHBondContact N-O 2.74Å; D560-T598 VanDerWaalsContact N-O 3.08Å; D560-V599 HydrophobicContact CB-CG2 4.17Å; D560-V599 CarbonylContact O-C 3.58Å; D560-V599 WeakPolarHBondContact O-CA 3.48Å; D560-M600 PolarHBondContact O-N 3.48Å; D560-L658 HydrophobicContact CB-CB 4.4Å; D560-L658 HydrophobicContact CB-CD2 4.48Å; D560-E660 VanDerWaalsContact OD1-CG 3.31Å; D560-E660 WeakPolarHBondContact OD1-CG 3.46Å
561I98.9Very high96.5Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-130.6126.2-161.1-47.1-160.3000113.9F541 F559 V563 M600 I652 A656 L658 E660 F677F541-I561 HydrophobicContact CE1-CD1 4.44Å; F559-I561 HydrophobicContact CB-CD1 4.47Å; I561-V563 HydrophobicContact CG2-CG1 3.83Å; I561-V563 HydrophobicContact CG2-CG2 4.16Å; I561-M600 WeakPolarHBondContact CA-O 3.16Å; I561-M600 HydrophobicContact CD1-CB 4.48Å; I561-M600 HydrophobicContact CD1-CE 3.6Å; I561-M600 HydrophobicContact CD1-SD 4.27Å; I561-M600 HydrophobicContact CG1-CB 4.23Å; I561-M600 HydrophobicContact CG1-CE 3.92Å; I561-M600 HydrophobicContact CG2-CB 4.36Å; I561-I652 HydrophobicContact CD1-CG2 4.05Å; I561-I652 HydrophobicContact CG2-CG2 3.79Å; I561-A656 HydrophobicContact CB-CB 4.35Å; I561-A656 HydrophobicContact CD1-CB 3.76Å; I561-A656 HydrophobicContact CG1-CB 4.02Å; I561-L658 PolarHBondContact N-O 3.46Å; I561-E660 PolarHBondContact O-N 2.95Å; I561-E660 VanDerWaalsContact O-N 3.08Å; I561-F677 HydrophobicContact CB-CE1 4.27Å; I561-F677 HydrophobicContact CB-CZ 4.2Å; I561-F677 HydrophobicContact CG2-CE1 4.44Å; I561-F677 HydrophobicContact CG2-CZ 4.06Å
562Q98.6Very high96.8Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-121.779.1177.3-162.3172.11200111.3K564 K570 Q572 N575 M600 I601 G602 E660Q562-K564 HydrophobicContact CG-CD 4.48Å; Q562-K570 PolarHBondContact NE2-O 3.26Å; Q562-Q572 HydrophobicContact CG-CG 4.3Å; Q562-N575 PolarHBondContact OE1-ND2 3.09Å; Q562-M600 PolarHBondContact N-O 3.36Å; Q562-I601 HydrophobicContact CB-CG1 4.27Å; Q562-I601 HydrophobicContact CB-CG2 4.44Å; Q562-G602 PolarHBondContact O-N 2.91Å; Q562-G602 VanDerWaalsContact O-N 3.08Å; Q562-E660 HydrophobicContact CB-CB 3.51Å; Q562-E660 HydrophobicContact CB-CG 4.18Å; Q562-E660 HydrophobicContact CG-CB 3.56Å
563V97.5Very high96.9Very high4 Ų422.2 Ų22.22%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-106.5112.7178.1-65.50000113.9I561 G602 L641 Y644 I652 F653 F677I561-V563 HydrophobicContact CG2-CG1 3.83Å; I561-V563 HydrophobicContact CG2-CG2 4.16Å; V563-G602 VanDerWaalsContact CA-O 3.28Å; V563-G602 WeakPolarHBondContact CA-O 3.33Å; V563-L641 HydrophobicContact CG1-CD1 4.11Å; V563-Y644 HydrophobicContact CB-CD2 3.92Å; V563-Y644 HydrophobicContact CB-CE1 4.36Å; V563-Y644 HydrophobicContact CB-CE2 3.54Å; V563-Y644 HydrophobicContact CB-CG 4.48Å; V563-Y644 HydrophobicContact CG1-CD2 4.06Å; V563-Y644 HydrophobicContact CG1-CE2 4.07Å; V563-Y644 HydrophobicContact CG2-CD2 4.48Å; V563-Y644 HydrophobicContact CG2-CE2 3.67Å; V563-I652 HydrophobicContact CG1-CD1 4.12Å; V563-I652 HydrophobicContact CG2-CG2 3.96Å; V563-F653 HydrophobicContact CG2-CE1 4.42Å; V563-F677 HydrophobicContact CG2-CE2 4.18Å; V563-F677 HydrophobicContact CG2-CZ 3.8Å
564K93.9Very high97.1Very high22 Ų2221.5 Ų21.510%0.09611%0.114CC..SBendtrans-171.6159.9-175.851.3-173.961.4169.50110.2Q562 I566 K570 G602 G603 E660Q562-K564 HydrophobicContact CG-CD 4.48Å; K564-I566 PolarHBondContact O-N 3.5Å; K564-K570 HydrophobicContact CB-CD 4.48Å; K564-K570 HydrophobicContact CD-CB 3.87Å; K564-K570 HydrophobicContact CD-CD 3.89Å; K564-K570 HydrophobicContact CD-CG 3.94Å; K564-K570 HydrophobicContact CG-CD 4.15Å; K564-G602 PolarHBondContact N-O 3.1Å; K564-G603 WeakPolarHBondContact O-CA 3.41Å; K564-E660 PolarHBondContact NZ-O 3.3Å
565R92.9Very high97.2Very high91 Ų9118.1 Ų18.134%0.34310%0.096SC..  trans-49.5130.8172.3-168.4-171-71.1177.4-3.1109.2E86 N131 K570E86-R565 IonicContact OE1-NH2 3.19Å; E86-R565 PolarHBondContact OE1-NH2 2.89Å; N131-R565 PolarHBondContact O-NE 2.96Å; N131-R565 PolarHBondContact O-NH2 3.39Å; R565-K570 WeakPolarHBondContact O-CD 3.35Å
566I95.8Very high97.3Very high3 Ų315.8 Ų15.82%0.0158%0.081CC..  trans-79.6125.4-173.2-49.6-61.9000109.7K564 Q572 K604 A605 A612 I616K564-I566 PolarHBondContact O-N 3.5Å; I566-Q572 HydrophobicContact CD1-CG 4.05Å; I566-K604 PolarHBondContact N-O 3.1Å; I566-A605 HydrophobicContact CB-CB 4.17Å; I566-A612 HydrophobicContact CG2-CB 4.16Å; I566-I616 HydrophobicContact CB-CD1 4.43Å; I566-I616 HydrophobicContact CG1-CD1 4.05Å; I566-I616 HydrophobicContact CG1-CG1 4.23Å; I566-I616 HydrophobicContact CG2-CD1 4.48Å; I566-I616 HydrophobicContact CG2-CG1 4.21Å
567H94.3Very high97.4Very high42 Ų4212.5 Ų12.519%0.1945%0.054CC..  trans-161.9140.1-178.9-164.7-37000108.4Y569 K570 Q572 Y609H567-Y569 VanDerWaalsContact C-N 3.33Å; H567-Y569 HydrophobicContact CB-CD1 4.23Å; H567-Y569 HydrophobicContact CB-CE1 4.2Å; H567-Y569 AromaticContact CD2-CD1 3.76Å; H567-Y569 AromaticContact CD2-CE1 3.42Å; H567-Y569 VanDerWaalsContact CD2-CE1 3.42Å; H567-Y569 WeakPolarHBondContact CD2-CE1 3.32Å; H567-Y569 AromaticContact CE1-CD1 3.57Å; H567-Y569 AromaticContact CE1-CE1 3.95Å; H567-Y569 AromaticContact CG-CD1 3.53Å; H567-Y569 AromaticContact CG-CE1 3.58Å; H567-Y569 AromaticContact ND1-CD1 3.39Å; H567-Y569 WeakPolarHBondContact ND1-CD1 3.37Å; H567-Y569 AromaticContact ND1-CE1 3.9Å; H567-Y569 AromaticContact NE2-CD1 3.78Å; H567-Y569 AromaticContact NE2-CE1 3.66Å; H567-Y569 PolarHBondContact O-N 2.98Å; H567-K570 HydrophobicContact CB-CD 4.26Å; H567-K570 WeakPolarHBondContact O-CB 3.28Å; H567-K570 PolarHBondContact O-N 3.03Å; H567-Q572 PolarHBondContact O-OE1 2.87Å; H567-Y609 HydrophobicContact CB-CE1 4.21Å; H567-Y609 AromaticContact CD2-CE1 3.94Å; H567-Y609 AromaticContact CE1-CE1 3.79Å; H567-Y609 AromaticContact CE1-CZ 3.89Å; H567-Y609 PolarHBondContact CE1-OH 3.14Å; H567-Y609 VanDerWaalsContact CE1-OH 3.24Å; H567-Y609 AromaticContact CG-CE1 3.67Å; H567-Y609 AromaticContact ND1-CE1 3.58Å; H567-Y609 AromaticContact ND1-CZ 3.72Å; H567-Y609 PolarHBondContact ND1-OH 3.35Å
568E96.9Very high97.5Very high47 Ų4712.4 Ų12.422%0.225%0.053CC..G310 helixtrans-52.2-42.6-174-68.316590.500114.6K570 R571 Y609 M611 I615 F767E568-K570 PolarHBondContact O-N 3.09Å; E568-K570 VanDerWaalsContact O-N 3.08Å; E568-R571 WeakPolarHBondContact O-CA 3.16Å; E568-R571 WeakPolarHBondContact O-CG 3.4Å; E568-R571 PolarHBondContact O-N 3.45Å; E568-Y609 WeakPolarHBondContact CG-OH 3.45Å; E568-Y609 PolarHBondContact N-OH 3.15Å; E568-Y609 WeakPolarHBondContact OE2-CE2 3.42Å; E568-Y609 VanDerWaalsContact OE2-CZ 3.28Å; E568-Y609 PolarHBondContact OE2-OH 3.01Å; E568-M611 VanDerWaalsContact CD-CG 3.47Å; E568-M611 HydrophobicContact CG-CG 4.01Å; E568-M611 VanDerWaalsContact OE1-CG 3.31Å; E568-M611 WeakPolarHBondContact OE1-CG 3.26Å; E568-I615 HydrophobicContact CG-CD1 3.83Å; E568-F767 HydrophobicContact CB-CD2 3.49Å; E568-F767 VanDerWaalsContact CB-CD2 3.49Å; E568-F767 HydrophobicContact CB-CE2 3.48Å; E568-F767 VanDerWaalsContact CB-CE2 3.48Å; E568-F767 HydrophobicContact CB-CG 4.49Å; E568-F767 HydrophobicContact CB-CZ 4.5Å
569Y95.9Very high97.5Very high26 Ų2612.4 Ų12.410%0.1025%0.053CC..G310 helixtrans-63.2-17.3179.778-106.1000115.2L374 H567 R571 S663 T664 T667 E668 F767L374-Y569 HydrophobicContact CD1-CD1 3.6Å; L374-Y569 HydrophobicContact CD1-CE1 3.3Å; L374-Y569 HydrophobicContact CD1-CG 4.47Å; H567-Y569 VanDerWaalsContact C-N 3.33Å; H567-Y569 HydrophobicContact CB-CD1 4.23Å; H567-Y569 HydrophobicContact CB-CE1 4.2Å; H567-Y569 AromaticContact CD2-CD1 3.76Å; H567-Y569 AromaticContact CD2-CE1 3.42Å; H567-Y569 VanDerWaalsContact CD2-CE1 3.42Å; H567-Y569 WeakPolarHBondContact CD2-CE1 3.32Å; H567-Y569 AromaticContact CE1-CD1 3.57Å; H567-Y569 AromaticContact CE1-CE1 3.95Å; H567-Y569 AromaticContact CG-CD1 3.53Å; H567-Y569 AromaticContact CG-CE1 3.58Å; H567-Y569 AromaticContact ND1-CD1 3.39Å; H567-Y569 WeakPolarHBondContact ND1-CD1 3.37Å; H567-Y569 AromaticContact ND1-CE1 3.9Å; H567-Y569 AromaticContact NE2-CD1 3.78Å; H567-Y569 AromaticContact NE2-CE1 3.66Å; H567-Y569 PolarHBondContact O-N 2.98Å; Y569-R571 VanDerWaalsContact C-N 3.29Å; Y569-S663 CarbonylContact O-C 3.52Å; Y569-S663 VanDerWaalsContact O-CA 3.26Å; Y569-S663 WeakPolarHBondContact O-CA 3.39Å; Y569-T664 PolarHBondContact O-N 2.88Å; Y569-T664 PolarHBondContact O-OG1 2.77Å; Y569-T667 WeakPolarHBondContact CD2-OG1 3.49Å; Y569-E668 HydrophobicContact CE2-CB 4.37Å; Y569-F767 VanDerWaalsContact CB-CD1 3.42Å; Y569-F767 VanDerWaalsContact CB-CE1 3.47Å
570K96.4Very high97.5Very high12 Ų1212.5 Ų12.55%0.0525%0.053CC..G310 helixtrans-85.1-4.1174.3-74.2165.9160.5430112.9Q562 K564 R565 H567 E568 Q572 E668Q562-K570 PolarHBondContact NE2-O 3.26Å; K564-K570 HydrophobicContact CB-CD 4.48Å; K564-K570 HydrophobicContact CD-CB 3.87Å; K564-K570 HydrophobicContact CD-CD 3.89Å; K564-K570 HydrophobicContact CD-CG 3.94Å; K564-K570 HydrophobicContact CG-CD 4.15Å; R565-K570 WeakPolarHBondContact O-CD 3.35Å; H567-K570 HydrophobicContact CB-CD 4.26Å; H567-K570 WeakPolarHBondContact O-CB 3.28Å; H567-K570 PolarHBondContact O-N 3.03Å; E568-K570 PolarHBondContact O-N 3.09Å; E568-K570 VanDerWaalsContact O-N 3.08Å; K570-Q572 PolarHBondContact O-N 3.12Å; K570-E668 WeakPolarHBondContact CE-OE2 3.28Å; K570-E668 IonicContact NZ-OE1 2.72Å; K570-E668 PolarHBondContact NZ-OE1 3.09Å; K570-E668 IonicContact NZ-OE2 3.12Å; K570-E668 PolarHBondContact NZ-OE2 3.5Å
571R98.3Very high97.5Very high1 Ų112.5 Ų12.50%0.0045%0.054CC..  trans51.941.5166.7-49.1-168.4-67.9-179.93.2115.2E568 Y569 L573 L574 N575 I662 S663 T687 F767 L768 L769 D772E568-R571 WeakPolarHBondContact O-CA 3.16Å; E568-R571 WeakPolarHBondContact O-CG 3.4Å; E568-R571 PolarHBondContact O-N 3.45Å; Y569-R571 VanDerWaalsContact C-N 3.29Å; R571-L573 PolarHBondContact O-N 3.03Å; R571-L573 VanDerWaalsContact O-N 3.16Å; R571-L574 HydrophobicContact CB-CB 3.8Å; R571-L574 HydrophobicContact CB-CD2 4.47Å; R571-L574 WeakPolarHBondContact O-CB 3.21Å; R571-L574 PolarHBondContact O-N 3.2Å; R571-N575 PolarHBondContact O-N 3.41Å; R571-I662 HydrophobicContact CB-CD1 4.34Å; R571-I662 HydrophobicContact CB-CG1 4.39Å; R571-I662 WeakPolarHBondContact CB-O 3.05Å; R571-I662 PolarHBondContact NE-O 3.49Å; R571-I662 VanDerWaalsContact O-CD1 3.27Å; R571-I662 WeakPolarHBondContact O-CD1 3.28Å; R571-S663 PolarHBondContact NH2-O 2.72Å; R571-S663 VanDerWaalsContact NH2-O 3.16Å; R571-T687 VanDerWaalsContact NH2-CG2 3.27Å; R571-F767 VanDerWaalsContact CD-O 3.24Å; R571-F767 WeakPolarHBondContact CD-O 3.38Å; R571-F767 PolarHBondContact NH1-O 3.46Å; R571-F767 VanDerWaalsContact NH1-O 3.14Å; R571-L768 PolarHBondContact NH1-O 2.88Å; R571-L769 HydrophobicContact CB-CG 4.44Å; R571-L769 HydrophobicContact CG-CD1 3.97Å; R571-L769 HydrophobicContact CG-CG 4.25Å; R571-D772 IonicContact CZ-OD2 3.88Å; R571-D772 IonicContact NH1-OD2 2.78Å; R571-D772 PolarHBondContact NH1-OD2 2.94Å; R571-D772 IonicContact NH2-OD2 3.77Å; R571-D772 PolarHBondContact NH2-OD2 3.49Å
572Q98.7Very high97.5Very high1 Ų112.7 Ų12.71%0.0055%0.054CC..Hα-helixtrans-54.1-30.4164.8-67.684.3-8.300112Q562 I566 H567 K570 N575 C576 I601 I615 I619Q562-Q572 HydrophobicContact CG-CG 4.3Å; I566-Q572 HydrophobicContact CD1-CG 4.05Å; H567-Q572 PolarHBondContact O-OE1 2.87Å; K570-Q572 PolarHBondContact O-N 3.12Å; Q572-N575 PolarHBondContact O-N 2.88Å; Q572-C576 WeakPolarHBondContact O-CB 3.4Å; Q572-C576 PolarHBondContact O-N 3.48Å; Q572-I601 HydrophobicContact CB-CG2 4.12Å; Q572-I601 HydrophobicContact CG-CG2 3.71Å; Q572-I615 HydrophobicContact CB-CG2 4.37Å; Q572-I619 HydrophobicContact CB-CD1 4.09Å
573L98.8Very high97.5Very high10 Ų1013.1 Ų13.15%0.0526%0.056CC..Hα-helixtrans-65.6-33.9173.2179.658.7000113.1R571 C576 L577 I615 L618 I757 L761 L769R571-L573 PolarHBondContact O-N 3.03Å; R571-L573 VanDerWaalsContact O-N 3.16Å; L573-C576 WeakPolarHBondContact O-CB 3.5Å; L573-C576 PolarHBondContact O-N 2.86Å; L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 3.19Å; L573-I615 HydrophobicContact CB-CD1 4.23Å; L573-I615 HydrophobicContact CB-CG1 4.4Å; L573-I615 HydrophobicContact CB-CG2 4.28Å; L573-I615 HydrophobicContact CD2-CD1 4.19Å; L573-I615 HydrophobicContact CD2-CG1 4.34Å; L573-L618 HydrophobicContact CD1-CD2 3.71Å; L573-I757 HydrophobicContact CD1-CG2 3.81Å; L573-I757 HydrophobicContact CD2-CG2 3.83Å; L573-I757 HydrophobicContact CG-CG2 4.48Å; L573-L761 HydrophobicContact CD2-CD1 3.78Å; L573-L761 HydrophobicContact CD2-CD2 4.12Å; L573-L761 HydrophobicContact CD2-CG 4.1Å; L573-L761 HydrophobicContact CG-CD1 4.18Å; L573-L769 HydrophobicContact CB-CD2 3.81Å; L573-L769 HydrophobicContact CD2-CD2 4Å; L573-L769 HydrophobicContact CG-CD2 3.77Å
574L98.9Very high97.6Very high0 Ų013.8 Ų13.80%06%0.06CC..Hα-helixtrans-69.5-40.1176.1-179.758.6000111.4R571 C576 L577 H578 I662 F707 L769 Y773 Y776R571-L574 HydrophobicContact CB-CB 3.8Å; R571-L574 HydrophobicContact CB-CD2 4.47Å; R571-L574 WeakPolarHBondContact O-CB 3.21Å; R571-L574 PolarHBondContact O-N 3.2Å; L574-C576 VanDerWaalsContact C-N 3.33Å; L574-L577 PolarHBondContact O-N 3.36Å; L574-H578 PolarHBondContact O-N 2.88Å; L574-I662 HydrophobicContact CB-CD1 4.19Å; L574-I662 HydrophobicContact CD2-CD1 4.44Å; L574-I662 HydrophobicContact CG-CD1 4.45Å; L574-F707 HydrophobicContact CD2-CE2 4.33Å; L574-L769 HydrophobicContact CB-CD2 3.83Å; L574-L769 HydrophobicContact CB-CG 4.07Å; L574-Y773 HydrophobicContact CD1-CD2 4.25Å; L574-Y776 HydrophobicContact CD1-CD1 3.8Å; L574-Y776 HydrophobicContact CD1-CE1 4.37Å; L574-Y776 HydrophobicContact CD2-CD1 4.07Å; L574-Y776 HydrophobicContact CD2-CG 4.21Å; L574-Y776 HydrophobicContact CG-CD1 3.56Å; L574-Y776 HydrophobicContact CG-CE1 3.82Å; L574-Y776 HydrophobicContact CG-CG 4.21Å; L574-Y776 WeakPolarHBondContact O-CE1 3.12Å
575N98.9Very high97.7Very high0 Ų014.9 Ų14.90%06%0.063CC..Hα-helixtrans-62.6-40.9169.9-168.7-0.7000111.5Q562 R571 Q572 L577 H578 V579 I601 I662Q562-N575 PolarHBondContact OE1-ND2 3.09Å; R571-N575 PolarHBondContact O-N 3.41Å; Q572-N575 PolarHBondContact O-N 2.88Å; N575-L577 PolarHBondContact O-N 3.44Å; N575-H578 WeakPolarHBondContact O-CB 3.35Å; N575-H578 PolarHBondContact O-N 2.84Å; N575-H578 VanDerWaalsContact O-N 3.13Å; N575-V579 PolarHBondContact O-N 3.35Å; N575-I601 HydrophobicContact CB-CD1 4.32Å; N575-I662 HydrophobicContact CB-CD1 4.09Å
576C98.9Very high98Very high0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-60.2-41.9173.5-163.50000112.6Q572 L573 L574 H578 V579 I580 I619Q572-C576 WeakPolarHBondContact O-CB 3.4Å; Q572-C576 PolarHBondContact O-N 3.48Å; L573-C576 WeakPolarHBondContact O-CB 3.5Å; L573-C576 PolarHBondContact O-N 2.86Å; L574-C576 VanDerWaalsContact C-N 3.33Å; C576-H578 VanDerWaalsContact C-N 3.33Å; C576-H578 PolarHBondContact O-N 2.83Å; C576-V579 PolarHBondContact O-N 3.21Å; C576-I580 WeakPolarHBondContact O-CG1 3.29Å; C576-I580 PolarHBondContact O-N 2.9Å; C576-I619 HydrophobicContact CB-CG1 4.09Å
577L98.9Very high98.1Very high0 Ų014.2 Ų14.20%06%0.063CC..Hα-helixtrans-61.7-38.7172.7-70.3170.5000112.2L573 L574 N575 I580 T581 L734 C737 L738 I741 L761 Y773L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 3.19Å; L574-L577 PolarHBondContact O-N 3.36Å; N575-L577 PolarHBondContact O-N 3.44Å; L577-I580 PolarHBondContact O-N 2.97Å; L577-T581 WeakPolarHBondContact O-CB 3.37Å; L577-T581 PolarHBondContact O-N 2.88Å; L577-T581 PolarHBondContact O-OG1 3.38Å; L577-L734 HydrophobicContact CD1-CD1 4.09Å; L577-C737 HydrophobicContact CD2-CB 3.7Å; L577-L738 HydrophobicContact CD2-CD2 4.13Å; L577-I741 HydrophobicContact CD2-CD1 3.76Å; L577-L761 HydrophobicContact CD1-CD1 4.03Å; L577-Y773 HydrophobicContact CB-CE2 4.34Å
578H98.8Very high98.2Very high2 Ų216.5 Ų16.51%0.0099%0.089CC..Hα-helixtrans-63.3-44172.9167.6-128.6000112.1L574 N575 C576 I580 T581 L582 Y776 I777L574-H578 PolarHBondContact O-N 2.88Å; N575-H578 WeakPolarHBondContact O-CB 3.35Å; N575-H578 PolarHBondContact O-N 2.84Å; N575-H578 VanDerWaalsContact O-N 3.13Å; C576-H578 VanDerWaalsContact C-N 3.33Å; C576-H578 PolarHBondContact O-N 2.83Å; H578-I580 VanDerWaalsContact C-N 3.32Å; H578-I580 PolarHBondContact O-N 2.94Å; H578-T581 WeakPolarHBondContact O-CA 3.45Å; H578-T581 VanDerWaalsContact O-CB 3.31Å; H578-T581 WeakPolarHBondContact O-CB 3.25Å; H578-T581 PolarHBondContact O-N 3.37Å; H578-T581 VanDerWaalsContact O-N 3.11Å; H578-L582 WeakPolarHBondContact NE2-CD1 3.35Å; H578-L582 WeakPolarHBondContact O-CG 3.41Å; H578-L582 PolarHBondContact O-N 3.42Å; H578-Y776 HydrophobicContact CB-CD1 4.19Å; H578-Y776 HydrophobicContact CB-CE1 3.47Å; H578-Y776 VanDerWaalsContact CB-CE1 3.47Å; H578-I777 HydrophobicContact CB-CD1 3.94Å
579V98.9Very high98.3Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-58.3-43.8173.1173.90000111.7N575 C576 T581 L582 Y583 V599 V622 V626 L636 L638N575-V579 PolarHBondContact O-N 3.35Å; C576-V579 PolarHBondContact O-N 3.21Å; V579-T581 VanDerWaalsContact C-N 3.31Å; V579-T581 PolarHBondContact O-N 3.42Å; V579-L582 PolarHBondContact O-N 2.86Å; V579-Y583 WeakPolarHBondContact O-CB 3.14Å; V579-Y583 PolarHBondContact O-N 2.77Å; V579-V599 HydrophobicContact CG2-CB 4.03Å; V579-V599 HydrophobicContact CG2-CG1 4Å; V579-V599 HydrophobicContact CG2-CG2 3.87Å; V579-V622 HydrophobicContact CG1-CG1 4.12Å; V579-V626 HydrophobicContact CG1-CG2 4.18Å; V579-L636 HydrophobicContact CG1-CD2 4.17Å; V579-L638 HydrophobicContact CB-CD2 4.37Å; V579-L638 HydrophobicContact CG1-CB 4.03Å; V579-L638 HydrophobicContact CG1-CD2 3.93Å; V579-L638 HydrophobicContact CG2-CD1 4.36Å; V579-L638 HydrophobicContact CG2-CD2 4.4Å
580I98.9Very high98.2Very high1 Ų119.5 Ų19.51%0.00511%0.112CC..Hα-helixtrans-63.3-39.8176.3-62.3163.5000110.7C576 L577 H578 Y583 N584 V622 C737 I741 F746C576-I580 WeakPolarHBondContact O-CG1 3.29Å; C576-I580 PolarHBondContact O-N 2.9Å; L577-I580 PolarHBondContact O-N 2.97Å; H578-I580 VanDerWaalsContact C-N 3.32Å; H578-I580 PolarHBondContact O-N 2.94Å; I580-Y583 PolarHBondContact O-N 3.48Å; I580-N584 WeakPolarHBondContact O-CB 3.44Å; I580-N584 VanDerWaalsContact O-CG 3.27Å; I580-N584 PolarHBondContact O-N 2.83Å; I580-N584 PolarHBondContact O-ND2 3.23Å; I580-V622 HydrophobicContact CD1-CG2 3.93Å; I580-V622 HydrophobicContact CG1-CG1 3.86Å; I580-V622 HydrophobicContact CG1-CG2 4.02Å; I580-C737 HydrophobicContact CB-CB 4.36Å; I580-C737 HydrophobicContact CG2-CB 3.9Å; I580-C737 VanDerWaalsContact CG2-SG 3.53Å; I580-I741 HydrophobicContact CD1-CD1 3.93Å; I580-I741 HydrophobicContact CD1-CG1 4.17Å; I580-F746 HydrophobicContact CB-CZ 4.36Å; I580-F746 HydrophobicContact CD1-CE2 3.74Å; I580-F746 HydrophobicContact CD1-CZ 3.97Å; I580-F746 HydrophobicContact CG1-CE1 4.42Å; I580-F746 HydrophobicContact CG1-CE2 4.03Å; I580-F746 HydrophobicContact CG1-CZ 3.7Å; I580-F746 HydrophobicContact CG2-CE2 4.2Å; I580-F746 HydrophobicContact CG2-CZ 3.76Å
581T98.8Very high98.1Very high1 Ų126.7 Ų26.71%0.00615%0.145CC..Hα-helixtrans-60-48.9175.2-53.90000111L577 H578 V579 Y583 N584 R585 E733 C737 Y773 I777L577-T581 WeakPolarHBondContact O-CB 3.37Å; L577-T581 PolarHBondContact O-N 2.88Å; L577-T581 PolarHBondContact O-OG1 3.38Å; H578-T581 WeakPolarHBondContact O-CA 3.45Å; H578-T581 VanDerWaalsContact O-CB 3.31Å; H578-T581 WeakPolarHBondContact O-CB 3.25Å; H578-T581 PolarHBondContact O-N 3.37Å; H578-T581 VanDerWaalsContact O-N 3.11Å; V579-T581 VanDerWaalsContact C-N 3.31Å; V579-T581 PolarHBondContact O-N 3.42Å; T581-Y583 PolarHBondContact O-N 2.89Å; T581-N584 PolarHBondContact O-N 2.86Å; T581-R585 WeakPolarHBondContact O-CG 3.23Å; T581-R585 PolarHBondContact O-N 2.86Å; T581-E733 HydrophobicContact CG2-CB 4.2Å; T581-C737 PolarHBondContact OG1-SG 3.43Å; T581-C737 VanDerWaalsContact OG1-SG 3.41Å; T581-Y773 WeakPolarHBondContact CG2-OH 3.4Å; T581-Y773 PolarHBondContact OG1-OH 3.2Å; T581-I777 HydrophobicContact CG2-CD1 4.11Å
582L98.5Very high98Very high3 Ų329 Ų292%0.01616%0.157CC..Hα-helixtrans-64.4-40.8177.9-61-165.7000112.1H578 V579 R585 I586 I594 L636H578-L582 WeakPolarHBondContact NE2-CD1 3.35Å; H578-L582 WeakPolarHBondContact O-CG 3.41Å; H578-L582 PolarHBondContact O-N 3.42Å; V579-L582 PolarHBondContact O-N 2.86Å; L582-R585 PolarHBondContact O-N 3.47Å; L582-I586 WeakPolarHBondContact O-CD1 3.43Å; L582-I586 VanDerWaalsContact O-CG1 3.28Å; L582-I586 WeakPolarHBondContact O-CG1 3.32Å; L582-I586 PolarHBondContact O-N 3.17Å; L582-I586 VanDerWaalsContact O-N 3.08Å; L582-I594 HydrophobicContact CB-CD1 4.07Å; L582-I594 HydrophobicContact CD1-CD1 3.85Å; L582-I594 HydrophobicContact CD2-CD1 3.76Å; L582-I594 HydrophobicContact CG-CD1 4.07Å; L582-L636 HydrophobicContact CB-CD1 4.4Å; L582-L636 HydrophobicContact CB-CD2 3.83Å; L582-L636 HydrophobicContact CD1-CD1 4.13Å
583Y98.7Very high97.6Very high10 Ų1034.5 Ų34.54%0.03919%0.193CC..Hα-helixtrans-57.9-51.8173.4172.1-96.9000110.9V579 I580 T581 R585 I586 K587 V625 V626 D629 V632 F745V579-Y583 WeakPolarHBondContact O-CB 3.14Å; V579-Y583 PolarHBondContact O-N 2.77Å; I580-Y583 PolarHBondContact O-N 3.48Å; T581-Y583 PolarHBondContact O-N 2.89Å; Y583-R585 VanDerWaalsContact C-N 3.35Å; Y583-R585 PolarHBondContact O-N 2.76Å; Y583-I586 PolarHBondContact O-N 3.35Å; Y583-I586 VanDerWaalsContact O-N 3.16Å; Y583-K587 HydrophobicContact CD1-CG 4.11Å; Y583-K587 HydrophobicContact CD2-CG 4.22Å; Y583-K587 HydrophobicContact CE1-CD 4.47Å; Y583-K587 HydrophobicContact CE1-CG 3.72Å; Y583-K587 HydrophobicContact CE2-CD 3.84Å; Y583-K587 HydrophobicContact CE2-CG 3.84Å; Y583-K587 HydrophobicContact CG-CG 4.34Å; Y583-K587 WeakPolarHBondContact O-CG 3.2Å; Y583-K587 PolarHBondContact O-N 3.06Å; Y583-V625 HydrophobicContact CE2-CG1 4.25Å; Y583-V626 HydrophobicContact CD2-CG2 3.84Å; Y583-V626 HydrophobicContact CG-CG2 4.12Å; Y583-D629 HydrophobicContact CE2-CB 4.07Å; Y583-D629 PolarHBondContact OH-OD2 3.38Å; Y583-V632 HydrophobicContact CD2-CG1 3.74Å; Y583-V632 HydrophobicContact CD2-CG2 4.37Å; Y583-V632 HydrophobicContact CE2-CG1 4.1Å; Y583-F745 AromaticContact CE1-CE1 3.83Å; Y583-F745 HydrophobicContact CE1-CE1 3.83Å; Y583-F745 HydrophobicContact CE1-CZ 4.1Å
584N98.7Very high97.3Very high18 Ų1835.2 Ų35.210%0.09620%0.197CC..Hα-helixtrans-59.8-41.8179.6-73-25.3000112.5I580 T581 I586 K587 A588 L736 Q740I580-N584 WeakPolarHBondContact O-CB 3.44Å; I580-N584 VanDerWaalsContact O-CG 3.27Å; I580-N584 PolarHBondContact O-N 2.83Å; I580-N584 PolarHBondContact O-ND2 3.23Å; T581-N584 PolarHBondContact O-N 2.86Å; N584-I586 PolarHBondContact O-N 3.27Å; N584-K587 PolarHBondContact O-N 2.95Å; N584-A588 WeakPolarHBondContact O-CB 3.44Å; N584-A588 PolarHBondContact O-N 3.07Å; N584-L736 HydrophobicContact CB-CD2 4.13Å; N584-Q740 PolarHBondContact ND2-OE1 3.14Å; N584-Q740 PolarHBondContact OD1-NE2 3.44Å; N584-Q740 PolarHBondContact OD1-OE1 2.88Å
585R98Very high97.1Very high45 Ų4535.7 Ų35.717%0.1720%0.2CC..Hα-helixtrans-58.3-45.7174.1-73.9171.7178-177.6-2.7112.4T581 L582 Y583 A588 N589 I592 E733T581-R585 WeakPolarHBondContact O-CG 3.23Å; T581-R585 PolarHBondContact O-N 2.86Å; L582-R585 PolarHBondContact O-N 3.47Å; Y583-R585 VanDerWaalsContact C-N 3.35Å; Y583-R585 PolarHBondContact O-N 2.76Å; R585-A588 PolarHBondContact O-N 2.84Å; R585-N589 PolarHBondContact O-N 3.39Å; R585-I592 HydrophobicContact CB-CD1 4.3Å; R585-E733 VanDerWaalsContact CG-OE1 3.26Å; R585-E733 WeakPolarHBondContact CG-OE1 3.31Å; R585-E733 IonicContact CZ-OE1 2.94Å; R585-E733 IonicContact CZ-OE2 3.72Å; R585-E733 IonicContact NE-OE1 2.64Å; R585-E733 PolarHBondContact NE-OE1 2.97Å; R585-E733 IonicContact NE-OE2 3.27Å; R585-E733 PolarHBondContact NE-OE2 3.43Å; R585-E733 IonicContact NH2-OE1 2.83Å; R585-E733 IonicContact NH2-OE2 3.71Å; R585-E733 PolarHBondContact NH2-OE2 3.43Å
586I98.2Very high97.1Very high0 Ų038.2 Ų38.20%022%0.216CC..Hα-helixtrans-71.2-34.7178.4-57.8160.3000111.3L582 Y583 N584 N589 P590 I592 I594 V631 V632 R635 L636L582-I586 WeakPolarHBondContact O-CD1 3.43Å; L582-I586 VanDerWaalsContact O-CG1 3.28Å; L582-I586 WeakPolarHBondContact O-CG1 3.32Å; L582-I586 PolarHBondContact O-N 3.17Å; L582-I586 VanDerWaalsContact O-N 3.08Å; Y583-I586 PolarHBondContact O-N 3.35Å; Y583-I586 VanDerWaalsContact O-N 3.16Å; N584-I586 PolarHBondContact O-N 3.27Å; I586-N589 CarbonylContact O-C 3.14Å; I586-P590 VanDerWaalsContact O-CA 3.25Å; I586-P590 WeakPolarHBondContact O-CA 3.31Å; I586-P590 VanDerWaalsContact O-N 3.09Å; I586-I592 HydrophobicContact CG1-CG2 4.08Å; I586-I594 HydrophobicContact CD1-CD1 4.5Å; I586-I594 HydrophobicContact CD1-CG2 4.16Å; I586-I594 HydrophobicContact CG1-CG2 4.33Å; I586-V631 HydrophobicContact CG2-CG1 4.4Å; I586-V632 HydrophobicContact CB-CG1 4.02Å; I586-V632 HydrophobicContact CD1-CB 4.43Å; I586-V632 HydrophobicContact CD1-CG1 4.33Å; I586-V632 HydrophobicContact CG2-CB 4.42Å; I586-V632 HydrophobicContact CG2-CG1 3.82Å; I586-R635 HydrophobicContact CD1-CB 4.25Å; I586-L636 HydrophobicContact CD1-CB 4.17Å
587K97.8Very high97Very high79 Ų7938.3 Ų38.334%0.34322%0.217SC..Hα-helixtrans-68.5-35174.8-66.3-56.6-58.5-160.50112.7Y583 N584 D629 V631 V632Y583-K587 HydrophobicContact CD1-CG 4.11Å; Y583-K587 HydrophobicContact CD2-CG 4.22Å; Y583-K587 HydrophobicContact CE1-CD 4.47Å; Y583-K587 HydrophobicContact CE1-CG 3.72Å; Y583-K587 HydrophobicContact CE2-CD 3.84Å; Y583-K587 HydrophobicContact CE2-CG 3.84Å; Y583-K587 HydrophobicContact CG-CG 4.34Å; Y583-K587 WeakPolarHBondContact O-CG 3.2Å; Y583-K587 PolarHBondContact O-N 3.06Å; N584-K587 PolarHBondContact O-N 2.95Å; K587-D629 IonicContact NZ-OD1 3.46Å; K587-D629 PolarHBondContact NZ-OD1 3.24Å; K587-D629 IonicContact NZ-OD2 3.28Å; K587-D629 PolarHBondContact NZ-OD2 3.26Å; K587-V631 HydrophobicContact CD-CB 4.16Å; K587-V631 HydrophobicContact CD-CG1 4.39Å; K587-V632 HydrophobicContact CD-CG1 4.29Å
588A97.4Very high97Very high90 Ų9038.5 Ų38.574%0.74422%0.218SC*.Hα-helixtrans-75.1-33.9176.500000112.8N584 R585N584-A588 WeakPolarHBondContact O-CB 3.44Å; N584-A588 PolarHBondContact O-N 3.07Å; R585-A588 PolarHBondContact O-N 2.84Å
589N97.4Very high97Very high76 Ų7638.4 Ų38.441%0.40622%0.217SC..  trans-141.195.5173.9178.56.1000110.5R585 I586 E591 I592R585-N589 PolarHBondContact O-N 3.39Å; I586-N589 CarbonylContact O-C 3.14Å; N589-E591 PolarHBondContact O-N 2.87Å; N589-E591 VanDerWaalsContact O-N 3.13Å; N589-E591 PolarHBondContact OD1-N 3.18Å; N589-I592 HydrophobicContact CB-CB 4.12Å; N589-I592 VanDerWaalsContact O-CB 3.3Å; N589-I592 WeakPolarHBondContact O-CB 3.4Å; N589-I592 WeakPolarHBondContact O-CG2 2.97Å; N589-I592 PolarHBondContact O-N 3.42Å; N589-I592 PolarHBondContact OD1-N 3.46Å
590P95.4Very high97Very high61 Ų6138.4 Ų38.440%0.39622%0.217SC..THydrogen-bonded Turntrans-56.2-29.2-179.7-3037.7000114.7I586 V631 R635I586-P590 VanDerWaalsContact O-CA 3.25Å; I586-P590 WeakPolarHBondContact O-CA 3.31Å; I586-P590 VanDerWaalsContact O-N 3.09Å; P590-V631 HydrophobicContact CB-CG1 3.89Å; P590-V631 HydrophobicContact CG-CG1 3.85Å; P590-R635 PolarHBondContact O-NH1 2.78Å
591E94.1Very high97Very high163 Ų16338.4 Ų38.476%0.76222%0.217SC*.THydrogen-bonded Turntrans-90.13.8-178.9-58-55.2128.600113.4N589N589-E591 PolarHBondContact O-N 2.87Å; N589-E591 VanDerWaalsContact O-N 3.13Å; N589-E591 PolarHBondContact OD1-N 3.18Å
592I95.4Very high97Very high49 Ų4938.3 Ų38.325%0.25122%0.217SC..  trans-57.4131.2-179.6-166.6169.2000111.2R585 I586 N589 I594 R635R585-I592 HydrophobicContact CB-CD1 4.3Å; I586-I592 HydrophobicContact CG1-CG2 4.08Å; N589-I592 HydrophobicContact CB-CB 4.12Å; N589-I592 VanDerWaalsContact O-CB 3.3Å; N589-I592 WeakPolarHBondContact O-CB 3.4Å; N589-I592 WeakPolarHBondContact O-CG2 2.97Å; N589-I592 PolarHBondContact O-N 3.42Å; N589-I592 PolarHBondContact OD1-N 3.46Å; I592-I594 PolarHBondContact O-N 2.65Å; I592-R635 VanDerWaalsContact O-CZ 3.26Å; I592-R635 PolarHBondContact O-NH1 2.92Å; I592-R635 PolarHBondContact O-NH2 2.95Å
593P91.3Very high96.8Very high117 Ų11738.2 Ų38.276%0.7622%0.216SC*.  trans-77.492.3-179.629.5-34.8000111.8
594I92.4Very high96.7Very high25 Ų2538 Ų3813%0.12822%0.215CC..  trans-110150.5173.1-156.1173.4000111.4L582 I586 I592 E784L582-I594 HydrophobicContact CB-CD1 4.07Å; L582-I594 HydrophobicContact CD1-CD1 3.85Å; L582-I594 HydrophobicContact CD2-CD1 3.76Å; L582-I594 HydrophobicContact CG-CD1 4.07Å; I586-I594 HydrophobicContact CD1-CD1 4.5Å; I586-I594 HydrophobicContact CD1-CG2 4.16Å; I586-I594 HydrophobicContact CG1-CG2 4.33Å; I592-I594 PolarHBondContact O-N 2.65Å; I594-E784 WeakPolarHBondContact CG1-OE2 3.33Å
595C94.7Very high96.5Very high9 Ų937.1 Ų37.16%0.06121%0.211CC..  trans-65.1130.7167.3-173.40000110.4R597 E784 Y787C595-R597 PolarHBondContact O-N 2.75Å; C595-E784 HydrophobicContact CB-CB 4.09Å; C595-E784 VanDerWaalsContact CB-CD 3.42Å; C595-E784 HydrophobicContact CB-CG 3.61Å; C595-E784 VanDerWaalsContact CB-OE2 3.23Å; C595-E784 WeakPolarHBondContact CB-OE2 3.37Å; C595-E784 PolarHBondContact N-OE2 3.05Å; C595-Y787 WeakPolarHBondContact SG-CD1 3.32Å
596P97.4Very high96.2Very high53 Ų5337.1 Ų37.134%0.34422%0.221SC..  trans-58.5125.9168.6-24.635.5000110.7S557 L558 R635S557-P596 CarbonylContact C-O 3.58Å; S557-P596 WeakPolarHBondContact CA-O 3.36Å; S557-P596 VanDerWaalsContact CB-O 3.26Å; S557-P596 WeakPolarHBondContact CB-O 3.4Å; L558-P596 PolarHBondContact N-O 2.74Å; P596-R635 CarbonylContact C-O 3.25Å; P596-R635 VanDerWaalsContact CA-O 3.25Å; P596-R635 WeakPolarHBondContact CA-O 3.45Å
597R98Very high95.6Very high3 Ų339 Ų391%0.01123%0.233CC..EExtended strand (participates in β ladder)trans-133.8131.8-172.7-168.2-172.3-68.6-118.411.3112.1L558 D560 C595 V599 R635 L636 K637 Q780 E784L558-R597 HydrophobicContact CB-CG 4.34Å; L558-R597 HydrophobicContact CD2-CG 4.39Å; D560-R597 HydrophobicContact CB-CG 4.06Å; D560-R597 WeakPolarHBondContact OD2-CD 3.22Å; D560-R597 IonicContact OD2-CZ 2.89Å; D560-R597 IonicContact OD2-NE 2.81Å; D560-R597 IonicContact OD2-NH1 3.49Å; D560-R597 PolarHBondContact OD2-NH1 2.94Å; C595-R597 PolarHBondContact O-N 2.75Å; R597-V599 HydrophobicContact CG-CG2 3.89Å; R597-R635 PolarHBondContact N-O 2.89Å; R597-L636 HydrophobicContact CB-CD1 4.38Å; R597-L636 WeakPolarHBondContact O-CA 3.36Å; R597-K637 PolarHBondContact O-N 2.76Å; R597-Q780 PolarHBondContact NH2-O 2.98Å; R597-E784 IonicContact CZ-OE1 3.34Å; R597-E784 IonicContact NE-OE1 3.42Å; R597-E784 VanDerWaalsContact NH2-CG 3.31Å; R597-E784 IonicContact NH2-OE1 2.68Å; R597-E784 PolarHBondContact NH2-OE1 3.36Å
598T98.6Very high95Very high4 Ų437 Ų373%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-111.3104.3169.8-61.40000108.5I553 S557 L558 D560 M600 K637 I639I553-T598 HydrophobicContact CB-CG2 4.39Å; I553-T598 HydrophobicContact CD1-CG2 4.29Å; I553-T598 HydrophobicContact CG2-CG2 4.12Å; S557-T598 PolarHBondContact OG-OG1 2.89Å; L558-T598 PolarHBondContact O-N 3.28Å; D560-T598 PolarHBondContact N-O 2.74Å; D560-T598 VanDerWaalsContact N-O 3.08Å; T598-M600 HydrophobicContact CG2-CE 3.9Å; T598-M600 HydrophobicContact CG2-CG 4.12Å; T598-M600 HydrophobicContact CG2-SD 4.21Å; T598-K637 HydrophobicContact CG2-CB 4.44Å; T598-I639 HydrophobicContact CG2-CD1 4.01Å
599V98.9Very high94.7Very high0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-88.6128.9178.9-175.90000109.7D560 V579 R597 I601 K637 L638 I639D560-V599 HydrophobicContact CB-CG2 4.17Å; D560-V599 CarbonylContact O-C 3.58Å; D560-V599 WeakPolarHBondContact O-CA 3.48Å; V579-V599 HydrophobicContact CG2-CB 4.03Å; V579-V599 HydrophobicContact CG2-CG1 4Å; V579-V599 HydrophobicContact CG2-CG2 3.87Å; R597-V599 HydrophobicContact CG-CG2 3.89Å; V599-I601 HydrophobicContact CG1-CG1 4.35Å; V599-K637 PolarHBondContact N-O 2.94Å; V599-L638 HydrophobicContact CB-CD1 4.11Å; V599-L638 HydrophobicContact CG1-CD1 3.93Å; V599-L638 WeakPolarHBondContact O-CA 3.27Å; V599-I639 PolarHBondContact O-N 3.43Å
600M98.8Very high94.6Very high0 Ų036.6 Ų36.60%021%0.213CC..EExtended strand (participates in β ladder)trans-130.7107.8-174.5-71.9174.1-84.100110.5F541 L545 F559 D560 I561 Q562 T598 I639 L641F541-M600 HydrophobicContact CD1-SD 4.46Å; F541-M600 HydrophobicContact CE1-CE 4.41Å; F541-M600 HydrophobicContact CE1-SD 3.69Å; L545-M600 HydrophobicContact CD1-SD 3.95Å; F559-M600 HydrophobicContact CB-CE 3.96Å; F559-M600 HydrophobicContact CD1-CE 4.1Å; F559-M600 HydrophobicContact CD2-CE 3.75Å; F559-M600 HydrophobicContact CE2-CE 4.29Å; F559-M600 HydrophobicContact CG-CE 3.67Å; D560-M600 PolarHBondContact O-N 3.48Å; I561-M600 WeakPolarHBondContact CA-O 3.16Å; I561-M600 HydrophobicContact CD1-CB 4.48Å; I561-M600 HydrophobicContact CD1-CE 3.6Å; I561-M600 HydrophobicContact CD1-SD 4.27Å; I561-M600 HydrophobicContact CG1-CB 4.23Å; I561-M600 HydrophobicContact CG1-CE 3.92Å; I561-M600 HydrophobicContact CG2-CB 4.36Å; Q562-M600 PolarHBondContact N-O 3.36Å; T598-M600 HydrophobicContact CG2-CE 3.9Å; T598-M600 HydrophobicContact CG2-CG 4.12Å; T598-M600 HydrophobicContact CG2-SD 4.21Å; M600-I639 WeakPolarHBondContact CA-O 3.45Å; M600-I639 HydrophobicContact CG-CB 4.21Å; M600-I639 HydrophobicContact CG-CD1 4.45Å; M600-L641 HydrophobicContact CB-CD1 4.03Å; M600-L641 HydrophobicContact CB-CG 4.25Å
601I98.8Very high94.7Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-105.6135.3178-53.8179.3000108.1Q562 Q572 N575 V599 I619 L638 I639 F640 L641Q562-I601 HydrophobicContact CB-CG1 4.27Å; Q562-I601 HydrophobicContact CB-CG2 4.44Å; Q572-I601 HydrophobicContact CB-CG2 4.12Å; Q572-I601 HydrophobicContact CG-CG2 3.71Å; N575-I601 HydrophobicContact CB-CD1 4.32Å; V599-I601 HydrophobicContact CG1-CG1 4.35Å; I601-I619 HydrophobicContact CB-CG2 4.47Å; I601-I619 HydrophobicContact CD1-CD1 3.88Å; I601-I619 HydrophobicContact CD1-CG1 4.14Å; I601-I619 HydrophobicContact CD1-CG2 4.22Å; I601-I619 HydrophobicContact CG2-CD1 4.09Å; I601-L638 HydrophobicContact CD1-CD1 4.2Å; I601-L638 HydrophobicContact CG1-CD1 4.3Å; I601-I639 PolarHBondContact N-O 3.14Å; I601-F640 CarbonylContact O-C 3.59Å; I601-F640 VanDerWaalsContact O-CA 3.29Å; I601-F640 WeakPolarHBondContact O-CA 3.41Å; I601-L641 PolarHBondContact O-N 2.9Å
602G97.7Very high94.8Very high0 Ų027.5 Ų27.50%017%0.165CC..EExtended strand (participates in β ladder)trans-154.2150.9-178.700000114Q562 V563 K564Q562-G602 PolarHBondContact O-N 2.91Å; Q562-G602 VanDerWaalsContact O-N 3.08Å; V563-G602 VanDerWaalsContact CA-O 3.28Å; V563-G602 WeakPolarHBondContact CA-O 3.33Å; K564-G602 PolarHBondContact N-O 3.1Å
603G96.2Very high94.9Very high0 Ų026.6 Ų26.60%016%0.159CC..  trans144.8167.6-175.500000112.8Q166 K564 F640Q166-G603 PolarHBondContact NE2-O 3.47Å; Q166-G603 PolarHBondContact OE1-O 2.82Å; K564-G603 WeakPolarHBondContact O-CA 3.41Å; G603-F640 WeakPolarHBondContact O-CZ 3.36Å
604K95.4Very high95.3Very high5 Ų521.1 Ų21.12%0.02212%0.123CC..PPolyproline II helixtrans-102.8131.4179.1-62.4-176.5-178-1710109.7F164 Q166 I566 N643F164-K604 HydrophobicContact CD2-CD 4.27Å; F164-K604 HydrophobicContact CE2-CB 4.1Å; F164-K604 HydrophobicContact CE2-CD 3.78Å; F164-K604 HydrophobicContact CE2-CG 4Å; F164-K604 HydrophobicContact CZ-CB 3.77Å; F164-K604 HydrophobicContact CZ-CD 4.09Å; F164-K604 HydrophobicContact CZ-CG 4.18Å; F164-K604 PolarHBondContact O-NZ 2.89Å; Q166-K604 HydrophobicContact CB-CD 4.22Å; Q166-K604 HydrophobicContact CB-CG 4.13Å; Q166-K604 HydrophobicContact CG-CG 4.46Å; I566-K604 PolarHBondContact N-O 3.1Å; K604-N643 WeakPolarHBondContact CE-OD1 3.37Å; K604-N643 PolarHBondContact NZ-OD1 3.06Å
605A94.5Very high95.6Very high0 Ų020.1 Ų20.10%012%0.118CC..PPolyproline II helixtrans-78.3158.9162.400000109.5F164 Q173 I566 A612 K613 I616F164-A605 WeakPolarHBondContact CZ-O 3.46Å; Q173-A605 PolarHBondContact NE2-O 3.09Å; I566-A605 HydrophobicContact CB-CB 4.17Å; A605-A612 HydrophobicContact CB-CB 3.76Å; A605-K613 HydrophobicContact CB-CG 4.08Å; A605-I616 HydrophobicContact CB-CD1 3.79Å
606A91Very high95.8Very high46 Ų4619.7 Ų19.738%0.3812%0.115SC..PPolyproline II helixtrans-70.6146.9170.900000110.6G608 Y609A606-G608 VanDerWaalsContact C-N 3.27Å; A606-G608 PolarHBondContact O-N 3.25Å; A606-G608 VanDerWaalsContact O-N 3.15Å; A606-Y609 PolarHBondContact O-N 2.92Å
607P86.8Confident95.9Very high39 Ų3918.5 Ų18.525%0.25311%0.105SC..THydrogen-bonded Turntrans-58.8-34.3-170.6-2735.6000114.6F164 E175 K613F164-P607 HydrophobicContact CD1-CG 3.98Å; F164-P607 HydrophobicContact CE1-CG 3.78Å; E175-P607 HydrophobicContact CG-CB 4.12Å; E175-P607 HydrophobicContact CG-CG 4.07Å; P607-K613 VanDerWaalsContact O-CE 3.29Å; P607-K613 WeakPolarHBondContact O-CE 3.32Å; P607-K613 PolarHBondContact O-NZ 3.25Å
608G84.9Confident95.9Very high36 Ų3618.3 Ų18.337%0.37110%0.104SC..THydrogen-bonded Turntrans-86.7-4.3177.300000115.7A606 H610A606-G608 VanDerWaalsContact C-N 3.27Å; A606-G608 PolarHBondContact O-N 3.25Å; A606-G608 VanDerWaalsContact O-N 3.15Å; G608-H610 PolarHBondContact O-N 2.79Å; G608-H610 VanDerWaalsContact O-N 3.13Å
609Y91Very high95.9Very high53 Ų5318.2 Ų18.221%0.20810%0.103CC..  trans-8984.6-170.9-166.8174.2000111.5H567 E568 A606 M611 A612 K613H567-Y609 HydrophobicContact CB-CE1 4.21Å; H567-Y609 AromaticContact CD2-CE1 3.94Å; H567-Y609 AromaticContact CE1-CE1 3.79Å; H567-Y609 AromaticContact CE1-CZ 3.89Å; H567-Y609 PolarHBondContact CE1-OH 3.14Å; H567-Y609 VanDerWaalsContact CE1-OH 3.24Å; H567-Y609 AromaticContact CG-CE1 3.67Å; H567-Y609 AromaticContact ND1-CE1 3.58Å; H567-Y609 AromaticContact ND1-CZ 3.72Å; H567-Y609 PolarHBondContact ND1-OH 3.35Å; E568-Y609 WeakPolarHBondContact CG-OH 3.45Å; E568-Y609 PolarHBondContact N-OH 3.15Å; E568-Y609 WeakPolarHBondContact OE2-CE2 3.42Å; E568-Y609 VanDerWaalsContact OE2-CZ 3.28Å; E568-Y609 PolarHBondContact OE2-OH 3.01Å; A606-Y609 PolarHBondContact O-N 2.92Å; Y609-M611 HydrophobicContact CE2-CB 4.16Å; Y609-M611 PolarHBondContact O-N 3.27Å; Y609-A612 HydrophobicContact CD1-CB 3.55Å; Y609-A612 HydrophobicContact CD2-CB 3.85Å; Y609-A612 HydrophobicContact CE1-CB 3.82Å; Y609-A612 HydrophobicContact CE2-CB 4.08Å; Y609-A612 HydrophobicContact CG-CB 3.56Å; Y609-A612 PolarHBondContact O-N 3.18Å; Y609-K613 PolarHBondContact O-N 3.25Å; Y609-K613 VanDerWaalsContact O-N 3.09Å
610H94.9Very high95.9Very high106 Ų10620 Ų2049%0.49111%0.113SC..Hα-helixtrans-52-53.1-175.3-177.2-110.8000113.9G608 A612 K613 L614G608-H610 PolarHBondContact O-N 2.79Å; G608-H610 VanDerWaalsContact O-N 3.13Å; H610-A612 PolarHBondContact O-N 3Å; H610-K613 WeakPolarHBondContact O-CB 3.32Å; H610-K613 PolarHBondContact O-N 2.86Å; H610-K613 VanDerWaalsContact O-N 3.12Å; H610-L614 PolarHBondContact O-N 2.82Å
611M97.4Very high95.9Very high32 Ų3220.3 Ų20.316%0.15812%0.115CC..Hα-helixtrans-63.9-40.2-176.5-172.460.377.700112.5E568 Y609 K613 L614 I615 D756 I757E568-M611 VanDerWaalsContact CD-CG 3.47Å; E568-M611 HydrophobicContact CG-CG 4.01Å; E568-M611 VanDerWaalsContact OE1-CG 3.31Å; E568-M611 WeakPolarHBondContact OE1-CG 3.26Å; Y609-M611 HydrophobicContact CE2-CB 4.16Å; Y609-M611 PolarHBondContact O-N 3.27Å; M611-K613 VanDerWaalsContact C-N 3.32Å; M611-K613 PolarHBondContact O-N 3.36Å; M611-L614 PolarHBondContact O-N 2.75Å; M611-L614 HydrophobicContact SD-CD2 4.29Å; M611-I615 HydrophobicContact CG-CD1 4.2Å; M611-I615 WeakPolarHBondContact O-CG1 3.16Å; M611-I615 PolarHBondContact O-N 2.9Å; M611-D756 HydrophobicContact CE-CB 4Å; M611-I757 HydrophobicContact SD-CG1 3.65Å
612A97.3Very high95.9Very high0 Ų020.3 Ų20.30%012%0.115CC..Hα-helixtrans-62-38174.100000112.5I566 A605 Y609 H610 I615 I616I566-A612 HydrophobicContact CG2-CB 4.16Å; A605-A612 HydrophobicContact CB-CB 3.76Å; Y609-A612 HydrophobicContact CD1-CB 3.55Å; Y609-A612 HydrophobicContact CD2-CB 3.85Å; Y609-A612 HydrophobicContact CE1-CB 3.82Å; Y609-A612 HydrophobicContact CE2-CB 4.08Å; Y609-A612 HydrophobicContact CG-CB 3.56Å; Y609-A612 PolarHBondContact O-N 3.18Å; H610-A612 PolarHBondContact O-N 3Å; A612-I615 PolarHBondContact O-N 3.14Å; A612-I616 WeakPolarHBondContact O-CG1 3.45Å; A612-I616 PolarHBondContact O-N 2.73Å; A612-I616 VanDerWaalsContact O-N 3.16Å
613K98.1Very high95.9Very high30 Ų3020.5 Ų20.513%0.1312%0.117CC..Hα-helixtrans-67.9-39.1172.1-73.6-176.3166.2-175.30112.7Q173 E175 A605 P607 Y609 H610 M611 I615 I616 K617Q173-K613 HydrophobicContact CB-CG 4.45Å; E175-K613 WeakPolarHBondContact OE1-CE 3.38Å; E175-K613 IonicContact OE1-NZ 2.76Å; E175-K613 PolarHBondContact OE1-NZ 3.41Å; E175-K613 IonicContact OE2-NZ 3.84Å; E175-K613 PolarHBondContact OE2-NZ 3.08Å; A605-K613 HydrophobicContact CB-CG 4.08Å; P607-K613 VanDerWaalsContact O-CE 3.29Å; P607-K613 WeakPolarHBondContact O-CE 3.32Å; P607-K613 PolarHBondContact O-NZ 3.25Å; Y609-K613 PolarHBondContact O-N 3.25Å; Y609-K613 VanDerWaalsContact O-N 3.09Å; H610-K613 WeakPolarHBondContact O-CB 3.32Å; H610-K613 PolarHBondContact O-N 2.86Å; H610-K613 VanDerWaalsContact O-N 3.12Å; M611-K613 VanDerWaalsContact C-N 3.32Å; M611-K613 PolarHBondContact O-N 3.36Å; K613-I615 VanDerWaalsContact C-N 3.3Å; K613-I615 PolarHBondContact O-N 3.31Å; K613-I616 WeakPolarHBondContact O-CB 3.31Å; K613-I616 PolarHBondContact O-N 2.74Å; K613-K617 PolarHBondContact O-N 2.87Å
614L98.7Very high96Very high2 Ų227.2 Ų27.21%0.0115%0.146CC..Hα-helixtrans-65.7-34176.8-169.561.3000111.5W172 H610 M611 K617 L618 L753 F754 D756 I757W172-L614 HydrophobicContact CH2-CD1 3.65Å; W172-L614 HydrophobicContact CZ3-CD1 4.01Å; H610-L614 PolarHBondContact O-N 2.82Å; M611-L614 PolarHBondContact O-N 2.75Å; M611-L614 HydrophobicContact SD-CD2 4.29Å; L614-K617 CarbonylContact O-C 3.08Å; L614-K617 WeakPolarHBondContact O-CB 3.26Å; L614-K617 PolarHBondContact O-N 2.84Å; L614-L618 PolarHBondContact O-N 3.41Å; L614-L753 HydrophobicContact CD1-CD1 3.89Å; L614-L753 HydrophobicContact CD1-CG 4.23Å; L614-F754 HydrophobicContact CD1-CD1 3.89Å; L614-F754 HydrophobicContact CD1-CE1 4.01Å; L614-F754 HydrophobicContact CG-CD1 4.19Å; L614-D756 HydrophobicContact CD2-CB 3.93Å; L614-I757 HydrophobicContact CB-CD1 4.39Å; L614-I757 HydrophobicContact CD2-CD1 4.29Å; L614-I757 HydrophobicContact CD2-CG1 3.95Å; L614-I757 HydrophobicContact CG-CD1 3.85Å; L614-I757 HydrophobicContact CG-CG1 4.07Å
615I98.8Very high96.1Very high4 Ų428.8 Ų28.82%0.02116%0.156CC..Hα-helixtrans-66.5-42.3171.6-70.1164.9000111.4E568 Q572 L573 M611 A612 K613 K617 L618 I619 I757E568-I615 HydrophobicContact CG-CD1 3.83Å; Q572-I615 HydrophobicContact CB-CG2 4.37Å; L573-I615 HydrophobicContact CB-CD1 4.23Å; L573-I615 HydrophobicContact CB-CG1 4.4Å; L573-I615 HydrophobicContact CB-CG2 4.28Å; L573-I615 HydrophobicContact CD2-CD1 4.19Å; L573-I615 HydrophobicContact CD2-CG1 4.34Å; M611-I615 HydrophobicContact CG-CD1 4.2Å; M611-I615 WeakPolarHBondContact O-CG1 3.16Å; M611-I615 PolarHBondContact O-N 2.9Å; A612-I615 PolarHBondContact O-N 3.14Å; K613-I615 VanDerWaalsContact C-N 3.3Å; K613-I615 PolarHBondContact O-N 3.31Å; I615-K617 VanDerWaalsContact C-N 3.27Å; I615-K617 PolarHBondContact O-N 3.08Å; I615-L618 PolarHBondContact O-N 3.32Å; I615-I619 HydrophobicContact CG2-CD1 3.82Å; I615-I619 WeakPolarHBondContact O-CD1 3.2Å; I615-I619 VanDerWaalsContact O-CG1 3.29Å; I615-I619 WeakPolarHBondContact O-CG1 3.15Å; I615-I619 PolarHBondContact O-N 2.94Å; I615-I757 HydrophobicContact CG1-CD1 3.95Å; I615-I757 HydrophobicContact CG1-CG1 4.44Å
616I98.8Very high96.3Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-57.8-43.3171-65.1170000110.3I168 Q173 I566 A605 A612 K613 I619 N620 F640I168-I616 HydrophobicContact CD1-CG2 3.96Å; Q173-I616 HydrophobicContact CB-CD1 3.97Å; Q173-I616 HydrophobicContact CB-CG2 4.44Å; Q173-I616 VanDerWaalsContact OE1-CD1 3.3Å; I566-I616 HydrophobicContact CB-CD1 4.43Å; I566-I616 HydrophobicContact CG1-CD1 4.05Å; I566-I616 HydrophobicContact CG1-CG1 4.23Å; I566-I616 HydrophobicContact CG2-CD1 4.48Å; I566-I616 HydrophobicContact CG2-CG1 4.21Å; A605-I616 HydrophobicContact CB-CD1 3.79Å; A612-I616 WeakPolarHBondContact O-CG1 3.45Å; A612-I616 PolarHBondContact O-N 2.73Å; A612-I616 VanDerWaalsContact O-N 3.16Å; K613-I616 WeakPolarHBondContact O-CB 3.31Å; K613-I616 PolarHBondContact O-N 2.74Å; I616-I619 PolarHBondContact O-N 3.18Å; I616-N620 PolarHBondContact O-N 2.99Å; I616-N620 PolarHBondContact O-ND2 3.19Å; I616-F640 HydrophobicContact CB-CE2 4.28Å; I616-F640 HydrophobicContact CB-CZ 4.39Å; I616-F640 HydrophobicContact CD1-CZ 4.07Å; I616-F640 HydrophobicContact CG1-CE2 3.86Å; I616-F640 HydrophobicContact CG1-CZ 3.85Å; I616-F640 HydrophobicContact CG2-CD1 4.47Å; I616-F640 HydrophobicContact CG2-CD2 4.25Å; I616-F640 HydrophobicContact CG2-CE1 4.09Å; I616-F640 HydrophobicContact CG2-CE2 3.85Å; I616-F640 HydrophobicContact CG2-CZ 3.75Å
617K98.7Very high96.6Very high28 Ų2829.1 Ų29.112%0.12215%0.152CC..Hα-helixtrans-64.2-39.7177175.156.4-170.6146.30112.6D170 G171 W172 K613 L614 I615 S621 L753 F754D170-K617 WeakPolarHBondContact O-CD 3.33Å; D170-K617 WeakPolarHBondContact O-CE 3.36Å; D170-K617 PolarHBondContact O-NZ 3.08Å; G171-K617 VanDerWaalsContact O-CA 3.29Å; G171-K617 WeakPolarHBondContact O-CA 3.33Å; W172-K617 HydrophobicContact CD2-CB 3.84Å; W172-K617 HydrophobicContact CD2-CD 4.06Å; W172-K617 HydrophobicContact CD2-CG 3.78Å; W172-K617 HydrophobicContact CE3-CB 3.68Å; W172-K617 HydrophobicContact CE3-CG 4.07Å; W172-K617 HydrophobicContact CG-CB 4.42Å; W172-K617 HydrophobicContact CG-CD 4.06Å; W172-K617 HydrophobicContact CG-CG 4.31Å; W172-K617 HydrophobicContact CH2-CG 4.34Å; W172-K617 HydrophobicContact CZ2-CG 4.06Å; W172-K617 HydrophobicContact CZ3-CB 4.03Å; W172-K617 HydrophobicContact CZ3-CG 4.33Å; K613-K617 PolarHBondContact O-N 2.87Å; L614-K617 CarbonylContact O-C 3.08Å; L614-K617 WeakPolarHBondContact O-CB 3.26Å; L614-K617 PolarHBondContact O-N 2.84Å; I615-K617 VanDerWaalsContact C-N 3.27Å; I615-K617 PolarHBondContact O-N 3.08Å; K617-S621 PolarHBondContact NZ-OG 2.84Å; K617-S621 VanDerWaalsContact NZ-OG 3.16Å; K617-S621 WeakPolarHBondContact O-CB 3.36Å; K617-S621 PolarHBondContact O-N 2.88Å; K617-L753 HydrophobicContact CG-CD2 4.08Å; K617-F754 HydrophobicContact CB-CE1 4.33Å; K617-F754 HydrophobicContact CG-CE1 3.87Å; K617-F754 HydrophobicContact CG-CZ 4Å
618L98.9Very high97.1Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-64.1-47.5174.1179.460.7000111.5L573 L614 I615 N620 S621 V622 I741 F746 F754 I757L573-L618 HydrophobicContact CD1-CD2 3.71Å; L614-L618 PolarHBondContact O-N 3.41Å; I615-L618 PolarHBondContact O-N 3.32Å; L618-N620 VanDerWaalsContact C-N 3.31Å; L618-N620 PolarHBondContact O-N 3.4Å; L618-S621 CarbonylContact O-C 3.51Å; L618-S621 WeakPolarHBondContact O-CA 3.31Å; L618-S621 WeakPolarHBondContact O-CB 3.5Å; L618-S621 PolarHBondContact O-N 3.13Å; L618-V622 HydrophobicContact CD1-CG2 3.86Å; L618-V622 HydrophobicContact CG-CG2 4.21Å; L618-V622 WeakPolarHBondContact O-CG2 3.33Å; L618-V622 PolarHBondContact O-N 3.3Å; L618-I741 HydrophobicContact CD1-CG1 4.29Å; L618-I741 HydrophobicContact CD2-CD1 3.99Å; L618-I741 HydrophobicContact CD2-CG1 4.25Å; L618-I741 HydrophobicContact CD2-CG2 4.43Å; L618-F746 HydrophobicContact CD1-CB 4.36Å; L618-F746 HydrophobicContact CD1-CD2 4.37Å; L618-F754 HydrophobicContact CB-CD1 3.97Å; L618-F754 HydrophobicContact CB-CE1 3.67Å; L618-F754 HydrophobicContact CB-CZ 4.07Å; L618-F754 HydrophobicContact CD1-CD1 4.18Å; L618-F754 HydrophobicContact CD1-CD2 3.77Å; L618-F754 HydrophobicContact CD1-CE1 4.2Å; L618-F754 HydrophobicContact CD1-CE2 3.78Å; L618-F754 HydrophobicContact CD1-CG 3.97Å; L618-F754 HydrophobicContact CD1-CZ 4Å; L618-I757 HydrophobicContact CB-CD1 3.91Å; L618-I757 HydrophobicContact CD2-CD1 3.79Å; L618-I757 HydrophobicContact CD2-CG2 4.1Å; L618-I757 HydrophobicContact CG-CD1 4.48Å
619I98.9Very high97.7Very high1 Ų132.1 Ų32.11%0.00516%0.157CC..Hα-helixtrans-56.6-45.4178.9-70.3160.7000111Q572 C576 I601 I615 I616 G623 L638 F640Q572-I619 HydrophobicContact CB-CD1 4.09Å; C576-I619 HydrophobicContact CB-CG1 4.09Å; I601-I619 HydrophobicContact CB-CG2 4.47Å; I601-I619 HydrophobicContact CD1-CD1 3.88Å; I601-I619 HydrophobicContact CD1-CG1 4.14Å; I601-I619 HydrophobicContact CD1-CG2 4.22Å; I601-I619 HydrophobicContact CG2-CD1 4.09Å; I615-I619 HydrophobicContact CG2-CD1 3.82Å; I615-I619 WeakPolarHBondContact O-CD1 3.2Å; I615-I619 VanDerWaalsContact O-CG1 3.29Å; I615-I619 WeakPolarHBondContact O-CG1 3.15Å; I615-I619 PolarHBondContact O-N 2.94Å; I616-I619 PolarHBondContact O-N 3.18Å; I619-G623 PolarHBondContact O-N 2.97Å; I619-L638 HydrophobicContact CG2-CD1 4.17Å; I619-L638 HydrophobicContact CG2-CD2 4.19Å; I619-L638 HydrophobicContact CG2-CG 4.31Å; I619-F640 HydrophobicContact CG2-CB 4.46Å; I619-F640 HydrophobicContact CG2-CD2 3.95Å
620N98.8Very high97.9Very high37 Ų3734 Ų3420%0.19818%0.176CC..Hα-helixtrans-67.6-36.1175.8-77.7-74.7000113G171 I616 L618 G623 K624 F640G171-N620 VanDerWaalsContact CA-CB 3.49Å; G171-N620 PolarHBondContact O-ND2 3.25Å; I616-N620 PolarHBondContact O-N 2.99Å; I616-N620 PolarHBondContact O-ND2 3.19Å; L618-N620 VanDerWaalsContact C-N 3.31Å; L618-N620 PolarHBondContact O-N 3.4Å; N620-G623 PolarHBondContact O-N 2.95Å; N620-K624 WeakPolarHBondContact O-CB 2.97Å; N620-K624 PolarHBondContact O-N 3.34Å; N620-F640 WeakPolarHBondContact OD1-CB 3.41Å
621S98.8Very high97.9Very high7 Ų731.3 Ų31.35%0.04917%0.167CC..Hα-helixtrans-67.4-42.6175.2-106.50000112.8K617 L618 K624 V625 F746K617-S621 PolarHBondContact NZ-OG 2.84Å; K617-S621 VanDerWaalsContact NZ-OG 3.16Å; K617-S621 WeakPolarHBondContact O-CB 3.36Å; K617-S621 PolarHBondContact O-N 2.88Å; L618-S621 CarbonylContact O-C 3.51Å; L618-S621 WeakPolarHBondContact O-CA 3.31Å; L618-S621 WeakPolarHBondContact O-CB 3.5Å; L618-S621 PolarHBondContact O-N 3.13Å; S621-K624 PolarHBondContact O-N 3.09Å; S621-V625 PolarHBondContact O-N 2.98Å; S621-F746 WeakPolarHBondContact CB-O 3.42Å; S621-F746 PolarHBondContact OG-O 3.41Å
622V98.9Very high97.7Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-64.1-44.9172.61760000109.9V579 I580 L618 K624 V625 V626 L638 F746V579-V622 HydrophobicContact CG1-CG1 4.12Å; I580-V622 HydrophobicContact CD1-CG2 3.93Å; I580-V622 HydrophobicContact CG1-CG1 3.86Å; I580-V622 HydrophobicContact CG1-CG2 4.02Å; L618-V622 HydrophobicContact CD1-CG2 3.86Å; L618-V622 HydrophobicContact CG-CG2 4.21Å; L618-V622 WeakPolarHBondContact O-CG2 3.33Å; L618-V622 PolarHBondContact O-N 3.3Å; V622-K624 VanDerWaalsContact C-N 3.32Å; V622-K624 PolarHBondContact O-N 2.71Å; V622-V625 PolarHBondContact O-N 2.8Å; V622-V625 VanDerWaalsContact O-N 3.09Å; V622-V626 HydrophobicContact CG1-CG2 3.91Å; V622-V626 WeakPolarHBondContact O-CB 3.27Å; V622-V626 WeakPolarHBondContact O-CG2 3.38Å; V622-V626 PolarHBondContact O-N 2.91Å; V622-L638 HydrophobicContact CB-CD2 4.02Å; V622-L638 HydrophobicContact CG1-CD2 3.82Å; V622-F746 HydrophobicContact CB-CD1 4.19Å; V622-F746 HydrophobicContact CB-CE1 4.4Å; V622-F746 HydrophobicContact CG1-CE1 4.23Å; V622-F746 HydrophobicContact CG2-CB 4.32Å; V622-F746 HydrophobicContact CG2-CD1 3.7Å; V622-F746 HydrophobicContact CG2-CD2 4.01Å; V622-F746 HydrophobicContact CG2-CE1 3.97Å; V622-F746 HydrophobicContact CG2-CE2 4.26Å; V622-F746 HydrophobicContact CG2-CG 3.73Å; V622-F746 HydrophobicContact CG2-CZ 4.26Å
623G98.4Very high97.4Very high4 Ų438.4 Ų38.44%0.04119%0.192CC..Hα-helixtrans-56.6-41.2173.500000113.1I619 N620 V625 N627I619-G623 PolarHBondContact O-N 2.97Å; N620-G623 PolarHBondContact O-N 2.95Å; G623-V625 VanDerWaalsContact C-N 3.31Å; G623-V625 PolarHBondContact O-N 2.81Å; G623-N627 WeakPolarHBondContact O-CB 3.33Å; G623-N627 PolarHBondContact O-N 3.24Å; G623-N627 PolarHBondContact O-ND2 3.08Å
624K97.3Very high96.9Very high141 Ų14139.4 Ų39.461%0.61321%0.211SC*.Hα-helixtrans-60.4-37175.1-173.3-179.2178.2-176.90112.3N620 S621 V622 N628N620-K624 WeakPolarHBondContact O-CB 2.97Å; N620-K624 PolarHBondContact O-N 3.34Å; S621-K624 PolarHBondContact O-N 3.09Å; V622-K624 VanDerWaalsContact C-N 3.32Å; V622-K624 PolarHBondContact O-N 2.71Å; K624-N628 PolarHBondContact O-ND2 3.08Å
625V98.2Very high96.8Very high38 Ų3842.1 Ų42.123%0.2322%0.221CC..Hα-helixtrans-75.2-58175.8176.80000110.8Y583 S621 V622 G623 N627 N628 D629 F745 F746Y583-V625 HydrophobicContact CE2-CG1 4.25Å; S621-V625 PolarHBondContact O-N 2.98Å; V622-V625 PolarHBondContact O-N 2.8Å; V622-V625 VanDerWaalsContact O-N 3.09Å; G623-V625 VanDerWaalsContact C-N 3.31Å; G623-V625 PolarHBondContact O-N 2.81Å; V625-N627 PolarHBondContact O-N 2.91Å; V625-N628 PolarHBondContact O-N 2.98Å; V625-D629 PolarHBondContact O-N 3.49Å; V625-D629 VanDerWaalsContact O-N 3.11Å; V625-F745 HydrophobicContact CG1-CE1 4.19Å; V625-F746 HydrophobicContact CB-CD1 4.19Å; V625-F746 HydrophobicContact CB-CE1 4.48Å; V625-F746 HydrophobicContact CG2-CD1 3.94Å
626V98.2Very high96.8Very high1 Ų142.2 Ų42.21%0.00622%0.221CC..Hα-helixtrans-57.1-46.5-175.2173.40000111.8V579 Y583 V622 N628 V632 L636V579-V626 HydrophobicContact CG1-CG2 4.18Å; Y583-V626 HydrophobicContact CD2-CG2 3.84Å; Y583-V626 HydrophobicContact CG-CG2 4.12Å; V622-V626 HydrophobicContact CG1-CG2 3.91Å; V622-V626 WeakPolarHBondContact O-CB 3.27Å; V622-V626 WeakPolarHBondContact O-CG2 3.38Å; V622-V626 PolarHBondContact O-N 2.91Å; V626-N628 VanDerWaalsContact C-N 3.26Å; V626-N628 PolarHBondContact O-N 2.86Å; V626-V632 HydrophobicContact CG1-CG2 4.07Å; V626-V632 WeakPolarHBondContact O-CG2 3.27Å; V626-L636 HydrophobicContact CG1-CB 4.32Å; V626-L636 HydrophobicContact CG1-CD2 4Å; V626-L636 HydrophobicContact CG1-CG 3.89Å
627N97.2Very high96.7Very high52 Ų5244.4 Ų44.428%0.27823%0.231SC..THydrogen-bonded Turntrans-73.7-17.5-172.4-60.1-11.7000113.6G623 V625 K637 L638G623-N627 WeakPolarHBondContact O-CB 3.33Å; G623-N627 PolarHBondContact O-N 3.24Å; G623-N627 PolarHBondContact O-ND2 3.08Å; V625-N627 PolarHBondContact O-N 2.91Å; N627-K637 HydrophobicContact CB-CG 4.34Å; N627-K637 WeakPolarHBondContact OD1-CG 3.24Å; N627-L638 PolarHBondContact ND2-O 3.31Å; N627-L638 PolarHBondContact OD1-N 2.96Å; N627-L638 PolarHBondContact OD1-O 3.28Å
628N96.3Very high96.7Very high113 Ų11343.1 Ų43.160%0.60423%0.226SC*.THydrogen-bonded Turntrans-103.2-18.8-179.2-71.4-67.6000113.3K624 V625 V626K624-N628 PolarHBondContact O-ND2 3.08Å; V625-N628 PolarHBondContact O-N 2.98Å; V626-N628 VanDerWaalsContact C-N 3.26Å; V626-N628 PolarHBondContact O-N 2.86Å
629D97.4Very high96.7Very high26 Ų2643.6 Ų43.614%0.13923%0.228CC..  trans-67.5122.2178.9-165.8-61.6000111.3Y583 K587 V625 V631 V632 R633Y583-D629 HydrophobicContact CE2-CB 4.07Å; Y583-D629 PolarHBondContact OH-OD2 3.38Å; K587-D629 IonicContact NZ-OD1 3.46Å; K587-D629 PolarHBondContact NZ-OD1 3.24Å; K587-D629 IonicContact NZ-OD2 3.28Å; K587-D629 PolarHBondContact NZ-OD2 3.26Å; V625-D629 PolarHBondContact O-N 3.49Å; V625-D629 VanDerWaalsContact O-N 3.11Å; D629-V631 PolarHBondContact O-N 2.72Å; D629-V631 VanDerWaalsContact OD1-CB 3.23Å; D629-V631 WeakPolarHBondContact OD1-CB 3.38Å; D629-V631 WeakPolarHBondContact OD1-CG2 3.37Å; D629-V631 PolarHBondContact OD1-N 2.77Å; D629-V632 HydrophobicContact CB-CG2 4.23Å; D629-V632 PolarHBondContact O-N 2.77Å; D629-R633 PolarHBondContact O-N 3.05Å
630P95.2Very high96.7Very high91 Ų9144.3 Ų44.359%0.59123%0.231SC*.THydrogen-bonded Turntrans-67.6-20.9-176.928-35.1000113.5R633P630-R633 WeakPolarHBondContact O-CB 3.46Å
631V95.5Very high96.6Very high51 Ų5142.5 Ų42.531%0.30922%0.222SC..THydrogen-bonded Turntrans-75.3-29.5-177.1-173.80000111.9I586 K587 P590 D629I586-V631 HydrophobicContact CG2-CG1 4.4Å; K587-V631 HydrophobicContact CD-CB 4.16Å; K587-V631 HydrophobicContact CD-CG1 4.39Å; P590-V631 HydrophobicContact CB-CG1 3.89Å; P590-V631 HydrophobicContact CG-CG1 3.85Å; D629-V631 PolarHBondContact O-N 2.72Å; D629-V631 VanDerWaalsContact OD1-CB 3.23Å; D629-V631 WeakPolarHBondContact OD1-CB 3.38Å; D629-V631 WeakPolarHBondContact OD1-CG2 3.37Å; D629-V631 PolarHBondContact OD1-N 2.77Å
632V94.5Very high96.5Very high0 Ų045.3 Ų45.30%023%0.234CC..THydrogen-bonded Turntrans-100.40.1179.4-46.20000113.3Y583 I586 K587 V626 D629 G634 R635 L636Y583-V632 HydrophobicContact CD2-CG1 3.74Å; Y583-V632 HydrophobicContact CD2-CG2 4.37Å; Y583-V632 HydrophobicContact CE2-CG1 4.1Å; I586-V632 HydrophobicContact CB-CG1 4.02Å; I586-V632 HydrophobicContact CD1-CB 4.43Å; I586-V632 HydrophobicContact CD1-CG1 4.33Å; I586-V632 HydrophobicContact CG2-CB 4.42Å; I586-V632 HydrophobicContact CG2-CG1 3.82Å; K587-V632 HydrophobicContact CD-CG1 4.29Å; V626-V632 HydrophobicContact CG1-CG2 4.07Å; V626-V632 WeakPolarHBondContact O-CG2 3.27Å; D629-V632 HydrophobicContact CB-CG2 4.23Å; D629-V632 PolarHBondContact O-N 2.77Å; V632-G634 PolarHBondContact O-N 3.21Å; V632-R635 WeakPolarHBondContact O-CA 3.42Å; V632-R635 WeakPolarHBondContact O-CB 3.41Å; V632-R635 PolarHBondContact O-N 2.78Å; V632-L636 HydrophobicContact CB-CB 4.42Å; V632-L636 PolarHBondContact O-N 3.41Å
633R90.2Very high96.4Very high180 Ų18046.1 Ų46.168%0.67924%0.238SC*.THydrogen-bonded Turntrans-56124-174.8-176.1177.3-65.41800.6111.7D629 P630 R635D629-R633 PolarHBondContact O-N 3.05Å; P630-R633 WeakPolarHBondContact O-CB 3.46Å; R633-R635 PolarHBondContact O-N 3.16Å
634G88.1Confident96.2Very high52 Ų5247.3 Ų47.354%0.53624%0.242SC..THydrogen-bonded Turntrans75.2-5.4-177.700000114.9V632V632-G634 PolarHBondContact O-N 3.21Å
635R95.5Very high96.1Very high58 Ų5844.3 Ų44.322%0.21923%0.227CC..THydrogen-bonded Turntrans-99-43.9176.4-42.1-159.572.4-160.1-5.3111.7I586 P590 I592 P596 R597 V632 R633I586-R635 HydrophobicContact CD1-CB 4.25Å; P590-R635 PolarHBondContact O-NH1 2.78Å; I592-R635 VanDerWaalsContact O-CZ 3.26Å; I592-R635 PolarHBondContact O-NH1 2.92Å; I592-R635 PolarHBondContact O-NH2 2.95Å; P596-R635 CarbonylContact C-O 3.25Å; P596-R635 VanDerWaalsContact CA-O 3.25Å; P596-R635 WeakPolarHBondContact CA-O 3.45Å; R597-R635 PolarHBondContact N-O 2.89Å; V632-R635 WeakPolarHBondContact O-CA 3.42Å; V632-R635 WeakPolarHBondContact O-CB 3.41Å; V632-R635 PolarHBondContact O-N 2.78Å; R633-R635 PolarHBondContact O-N 3.16Å
636L98.4Very high96Very high6 Ų642.7 Ų42.73%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-136.8139.4179.6-174.563.5000110.2V579 L582 I586 R597 V626 V632V579-L636 HydrophobicContact CG1-CD2 4.17Å; L582-L636 HydrophobicContact CB-CD1 4.4Å; L582-L636 HydrophobicContact CB-CD2 3.83Å; L582-L636 HydrophobicContact CD1-CD1 4.13Å; I586-L636 HydrophobicContact CD1-CB 4.17Å; R597-L636 HydrophobicContact CB-CD1 4.38Å; R597-L636 WeakPolarHBondContact O-CA 3.36Å; V626-L636 HydrophobicContact CG1-CB 4.32Å; V626-L636 HydrophobicContact CG1-CD2 4Å; V626-L636 HydrophobicContact CG1-CG 3.89Å; V632-L636 HydrophobicContact CB-CB 4.42Å; V632-L636 PolarHBondContact O-N 3.41Å
637K98.1Very high95.8Very high46 Ų4643 Ų4320%0.222%0.219CC..EExtended strand (participates in β ladder)trans-143.6142.4170.1-146.9176.5-168.6-169.90110.4T552 I553 R597 T598 V599 N627 I639T552-K637 PolarHBondContact O-NZ 3.22Å; I553-K637 HydrophobicContact CG2-CD 4.11Å; R597-K637 PolarHBondContact O-N 2.76Å; T598-K637 HydrophobicContact CG2-CB 4.44Å; V599-K637 PolarHBondContact N-O 2.94Å; N627-K637 HydrophobicContact CB-CG 4.34Å; N627-K637 WeakPolarHBondContact OD1-CG 3.24Å; K637-I639 HydrophobicContact CD-CD1 4.35Å
638L98.7Very high95.8Very high2 Ų240.7 Ų40.71%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-125124.1174.3172.460.1000109.9V579 V599 I601 I619 V622 N627V579-L638 HydrophobicContact CB-CD2 4.37Å; V579-L638 HydrophobicContact CG1-CB 4.03Å; V579-L638 HydrophobicContact CG1-CD2 3.93Å; V579-L638 HydrophobicContact CG2-CD1 4.36Å; V579-L638 HydrophobicContact CG2-CD2 4.4Å; V599-L638 HydrophobicContact CB-CD1 4.11Å; V599-L638 HydrophobicContact CG1-CD1 3.93Å; V599-L638 WeakPolarHBondContact O-CA 3.27Å; I601-L638 HydrophobicContact CD1-CD1 4.2Å; I601-L638 HydrophobicContact CG1-CD1 4.3Å; I619-L638 HydrophobicContact CG2-CD1 4.17Å; I619-L638 HydrophobicContact CG2-CD2 4.19Å; I619-L638 HydrophobicContact CG2-CG 4.31Å; V622-L638 HydrophobicContact CB-CD2 4.02Å; V622-L638 HydrophobicContact CG1-CD2 3.82Å; N627-L638 PolarHBondContact ND2-O 3.31Å; N627-L638 PolarHBondContact OD1-N 2.96Å; N627-L638 PolarHBondContact OD1-O 3.28Å
639I98.1Very high95.8Very high10 Ų1035.4 Ų35.45%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-126.1136.4-177-57.9168.6000109V551 I553 T598 V599 M600 I601 K637 L641V551-I639 HydrophobicContact CG1-CD1 3.6Å; V551-I639 HydrophobicContact CG1-CG1 4.06Å; I553-I639 HydrophobicContact CG2-CD1 3.48Å; I553-I639 VanDerWaalsContact CG2-CD1 3.48Å; T598-I639 HydrophobicContact CG2-CD1 4.01Å; V599-I639 PolarHBondContact O-N 3.43Å; M600-I639 WeakPolarHBondContact CA-O 3.45Å; M600-I639 HydrophobicContact CG-CB 4.21Å; M600-I639 HydrophobicContact CG-CD1 4.45Å; I601-I639 PolarHBondContact N-O 3.14Å; K637-I639 HydrophobicContact CD-CD1 4.35Å; I639-L641 HydrophobicContact CG2-CD2 4Å
640F98.6Very high95.8Very high15 Ų1535.3 Ų35.37%0.06618%0.177CC..EExtended strand (participates in β ladder)trans-92.7123.6164.6-164.8-91.4000109.8I168 I601 G603 I616 I619 N620 E642I168-F640 HydrophobicContact CD1-CD1 3.89Å; I168-F640 HydrophobicContact CD1-CE1 3.79Å; I168-F640 HydrophobicContact CG1-CD1 3.94Å; I168-F640 HydrophobicContact CG1-CE1 4.28Å; I601-F640 CarbonylContact O-C 3.59Å; I601-F640 VanDerWaalsContact O-CA 3.29Å; I601-F640 WeakPolarHBondContact O-CA 3.41Å; G603-F640 WeakPolarHBondContact O-CZ 3.36Å; I616-F640 HydrophobicContact CB-CE2 4.28Å; I616-F640 HydrophobicContact CB-CZ 4.39Å; I616-F640 HydrophobicContact CD1-CZ 4.07Å; I616-F640 HydrophobicContact CG1-CE2 3.86Å; I616-F640 HydrophobicContact CG1-CZ 3.85Å; I616-F640 HydrophobicContact CG2-CD1 4.47Å; I616-F640 HydrophobicContact CG2-CD2 4.25Å; I616-F640 HydrophobicContact CG2-CE1 4.09Å; I616-F640 HydrophobicContact CG2-CE2 3.85Å; I616-F640 HydrophobicContact CG2-CZ 3.75Å; I619-F640 HydrophobicContact CG2-CB 4.46Å; I619-F640 HydrophobicContact CG2-CD2 3.95Å; N620-F640 WeakPolarHBondContact OD1-CB 3.41Å; F640-E642 PolarHBondContact O-N 3.21Å
641L98.1Very high96Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-86.890.9177.2-59.7-178000109.4F541 L545 V563 M600 I601 I639 L648 I652F541-L641 HydrophobicContact CZ-CD1 4.14Å; F541-L641 HydrophobicContact CZ-CD2 4.46Å; L545-L641 HydrophobicContact CD2-CD2 3.64Å; V563-L641 HydrophobicContact CG1-CD1 4.11Å; M600-L641 HydrophobicContact CB-CD1 4.03Å; M600-L641 HydrophobicContact CB-CG 4.25Å; I601-L641 PolarHBondContact O-N 2.9Å; I639-L641 HydrophobicContact CG2-CD2 4Å; L641-L648 HydrophobicContact CB-CD2 4.38Å; L641-I652 HydrophobicContact CD1-CD1 3.81Å; L641-I652 HydrophobicContact CD1-CG1 4.15Å
642E96.5Very high96.1Very high65 Ų6531.8 Ų31.830%0.30415%0.148SC..THydrogen-bonded Turntrans-53.3145.1173.9-179.8171.5132.800112.4Q166 S167 I168 Y549 F640 Y644Q166-E642 VanDerWaalsContact O-CG 3.25Å; Q166-E642 WeakPolarHBondContact O-CG 3.21Å; S167-E642 WeakPolarHBondContact CA-OE1 3.07Å; I168-E642 WeakPolarHBondContact CB-OE2 3.29Å; I168-E642 HydrophobicContact CG1-CB 4Å; I168-E642 HydrophobicContact CG1-CG 3.99Å; I168-E642 VanDerWaalsContact CG1-OE2 3.31Å; I168-E642 WeakPolarHBondContact CG1-OE2 3.32Å; I168-E642 PolarHBondContact N-OE2 3.42Å; Y549-E642 HydrophobicContact CE1-CB 3.99Å; Y549-E642 PolarHBondContact OH-O 3.19Å; Y549-E642 VanDerWaalsContact OH-O 3.07Å; F640-E642 PolarHBondContact O-N 3.21Å; E642-Y644 VanDerWaalsContact C-N 3.3Å; E642-Y644 PolarHBondContact O-N 2.86Å
643N95.2Very high96.3Very high17 Ų1731.8 Ų31.89%0.09115%0.148CC..THydrogen-bonded Turntrans53.739172.9-155.527.2000115.6E165 Q166 K604 R645E165-N643 PolarHBondContact OE1-ND2 3.44Å; Q166-N643 HydrophobicContact CB-CB 4.33Å; Q166-N643 PolarHBondContact N-OD1 2.95Å; Q166-N643 VanDerWaalsContact N-OD1 3.16Å; Q166-N643 WeakPolarHBondContact O-CB 3.49Å; K604-N643 WeakPolarHBondContact CE-OD1 3.37Å; K604-N643 PolarHBondContact NZ-OD1 3.06Å; N643-R645 PolarHBondContact ND2-NH1 3.04Å; N643-R645 WeakPolarHBondContact O-CG 3.3Å; N643-R645 PolarHBondContact O-N 3.42Å
644Y95.3Very high96.7Very high30 Ų3023.4 Ų23.412%0.11812%0.117CC..  trans-50.3114.3178176.6-104.4000112.7V563 E642 L648 A649 I652V563-Y644 HydrophobicContact CB-CD2 3.92Å; V563-Y644 HydrophobicContact CB-CE1 4.36Å; V563-Y644 HydrophobicContact CB-CE2 3.54Å; V563-Y644 HydrophobicContact CB-CG 4.48Å; V563-Y644 HydrophobicContact CG1-CD2 4.06Å; V563-Y644 HydrophobicContact CG1-CE2 4.07Å; V563-Y644 HydrophobicContact CG2-CD2 4.48Å; V563-Y644 HydrophobicContact CG2-CE2 3.67Å; E642-Y644 VanDerWaalsContact C-N 3.3Å; E642-Y644 PolarHBondContact O-N 2.86Å; Y644-L648 HydrophobicContact CD2-CD2 4.35Å; Y644-A649 HydrophobicContact CE2-CB 3.53Å; Y644-I652 HydrophobicContact CD2-CD1 3.82Å; Y644-I652 HydrophobicContact CE2-CD1 3.77Å
645R94.7Very high97.2Very high78 Ų7820.9 Ų20.929%0.2949%0.092SC..  trans-141.5173.9-174.762.1-174.9-172.2-1565.6111.7Y88 D126 E165 N643 S647 L648 A649Y88-R645 VanDerWaalsContact OH-CA 3.27Å; Y88-R645 WeakPolarHBondContact OH-CA 3.47Å; Y88-R645 WeakPolarHBondContact OH-CB 3.41Å; D126-R645 WeakPolarHBondContact OD2-CB 3.29Å; D126-R645 WeakPolarHBondContact OD2-CD 3.08Å; D126-R645 WeakPolarHBondContact OD2-CG 3.28Å; D126-R645 IonicContact OD2-NE 3.52Å; E165-R645 IonicContact OE1-NH1 2.85Å; E165-R645 PolarHBondContact OE1-NH1 2.96Å; E165-R645 VanDerWaalsContact OE1-NH1 3.1Å; N643-R645 PolarHBondContact ND2-NH1 3.04Å; N643-R645 WeakPolarHBondContact O-CG 3.3Å; N643-R645 PolarHBondContact O-N 3.42Å; R645-S647 PolarHBondContact O-N 3.45Å; R645-L648 HydrophobicContact CG-CB 4.31Å; R645-L648 PolarHBondContact O-N 3.06Å; R645-A649 WeakPolarHBondContact O-CB 3.43Å; R645-A649 PolarHBondContact O-N 3.1Å
646V95.5Very high97.4Very high4 Ų418.1 Ų18.12%0.0248%0.081CC..Hα-helixtrans-58.5-47.8-172.1174.70000111.8Y88 D126 W485 L648 A649 E650Y88-V646 HydrophobicContact CD1-CG2 3.93Å; Y88-V646 HydrophobicContact CD2-CG2 4.03Å; Y88-V646 HydrophobicContact CE1-CG2 4.05Å; Y88-V646 HydrophobicContact CE2-CG2 4.17Å; Y88-V646 HydrophobicContact CG-CG2 3.94Å; D126-V646 PolarHBondContact OD2-N 3.08Å; W485-V646 HydrophobicContact CH2-CG1 4.03Å; W485-V646 HydrophobicContact CZ2-CG1 4.47Å; V646-L648 VanDerWaalsContact C-N 3.29Å; V646-L648 PolarHBondContact O-N 3.14Å; V646-A649 WeakPolarHBondContact O-CB 3.48Å; V646-A649 PolarHBondContact O-N 3.1Å; V646-A649 VanDerWaalsContact O-N 3.09Å; V646-E650 VanDerWaalsContact CG1-OE1 3.32Å; V646-E650 WeakPolarHBondContact CG1-OE1 3.49Å; V646-E650 WeakPolarHBondContact O-CG 3.44Å; V646-E650 PolarHBondContact O-N 3.45Å
647S95.3Very high97.4Very high7 Ų718.3 Ų18.35%0.0498%0.082CC..Hα-helixtrans-66.4-28.2-179.5-63.50000113.3R91 D126 R645R91-S647 VanDerWaalsContact CD-OG 3.31Å; R91-S647 WeakPolarHBondContact CD-OG 3.49Å; R91-S647 WeakPolarHBondContact CG-OG 3.24Å; R91-S647 PolarHBondContact NE-OG 3.02Å; D126-S647 PolarHBondContact OD1-N 3.38Å; D126-S647 PolarHBondContact OD1-OG 3.05Å; D126-S647 VanDerWaalsContact OD2-CB 3.32Å; D126-S647 WeakPolarHBondContact OD2-CB 3.38Å; D126-S647 PolarHBondContact OD2-N 3.09Å; D126-S647 PolarHBondContact OD2-OG 2.67Å; R645-S647 PolarHBondContact O-N 3.45Å
648L96.3Very high97.5Very high4 Ų416.1 Ų16.12%0.0217%0.072CC..Hα-helixtrans-74.7-42.2170.6-174.567.1000110.8F541 Y544 Y549 L641 Y644 R645 V646 E650 K651 I652F541-L648 HydrophobicContact CE2-CD1 4.33Å; Y544-L648 HydrophobicContact CD1-CD1 4.3Å; Y544-L648 HydrophobicContact CE1-CD1 3.3Å; Y549-L648 WeakPolarHBondContact OH-CD2 3.31Å; L641-L648 HydrophobicContact CB-CD2 4.38Å; Y644-L648 HydrophobicContact CD2-CD2 4.35Å; R645-L648 HydrophobicContact CG-CB 4.31Å; R645-L648 PolarHBondContact O-N 3.06Å; V646-L648 VanDerWaalsContact C-N 3.29Å; V646-L648 PolarHBondContact O-N 3.14Å; L648-E650 VanDerWaalsContact C-N 3.28Å; L648-E650 PolarHBondContact O-N 3.06Å; L648-K651 PolarHBondContact O-N 3.03Å; L648-I652 HydrophobicContact CD2-CD1 4.11Å; L648-I652 HydrophobicContact CG-CD1 3.72Å; L648-I652 HydrophobicContact CG-CG1 4.43Å; L648-I652 WeakPolarHBondContact O-CD1 3.47Å; L648-I652 WeakPolarHBondContact O-CG1 3.2Å; L648-I652 PolarHBondContact O-N 3.18Å
649A97.3Very high97.5Very high2 Ų216 Ų162%0.0177%0.072CC..Hα-helixtrans-61.7-36.5-179.900000112.3W485 Y644 R645 V646 K651 I652 F653W485-A649 HydrophobicContact CH2-CB 4.39Å; W485-A649 HydrophobicContact CZ3-CB 4.23Å; Y644-A649 HydrophobicContact CE2-CB 3.53Å; R645-A649 WeakPolarHBondContact O-CB 3.43Å; R645-A649 PolarHBondContact O-N 3.1Å; V646-A649 WeakPolarHBondContact O-CB 3.48Å; V646-A649 PolarHBondContact O-N 3.1Å; V646-A649 VanDerWaalsContact O-N 3.09Å; A649-K651 VanDerWaalsContact C-N 3.26Å; A649-K651 PolarHBondContact O-N 2.81Å; A649-I652 PolarHBondContact O-N 2.83Å; A649-I652 VanDerWaalsContact O-N 3.14Å; A649-F653 HydrophobicContact CB-CD2 4.3Å; A649-F653 HydrophobicContact CB-CE2 3.62Å; A649-F653 HydrophobicContact CB-CZ 4.31Å; A649-F653 WeakPolarHBondContact O-CD2 3.32Å; A649-F653 PolarHBondContact O-N 3.08Å
650E97.6Very high97.5Very high24 Ų2415.6 Ų15.611%0.1127%0.069CC..Hα-helixtrans-62.4-29173.1-74.2170.2-17000112.9R484 W485 C489 V646 L648 P654R484-E650 WeakPolarHBondContact CD-OE1 3.12Å; R484-E650 HydrophobicContact CG-CG 4.47Å; R484-E650 WeakPolarHBondContact CG-OE1 3.22Å; R484-E650 IonicContact CZ-OE1 3.12Å; R484-E650 IonicContact NE-OE1 2.66Å; R484-E650 IonicContact NH1-OE1 3.77Å; R484-E650 PolarHBondContact NH1-OE1 2.75Å; R484-E650 IonicContact NH1-OE2 2.71Å; W485-E650 HydrophobicContact CE3-CG 4.33Å; W485-E650 HydrophobicContact CH2-CG 4.16Å; W485-E650 HydrophobicContact CZ3-CG 3.7Å; C489-E650 HydrophobicContact CB-CB 3.83Å; C489-E650 HydrophobicContact CB-CG 4.04Å; C489-E650 WeakPolarHBondContact CB-O 3.31Å; V646-E650 VanDerWaalsContact CG1-OE1 3.32Å; V646-E650 WeakPolarHBondContact CG1-OE1 3.49Å; V646-E650 WeakPolarHBondContact O-CG 3.44Å; V646-E650 PolarHBondContact O-N 3.45Å; L648-E650 VanDerWaalsContact C-N 3.28Å; L648-E650 PolarHBondContact O-N 3.06Å; E650-P654 WeakPolarHBondContact O-CD 3.48Å; E650-P654 WeakPolarHBondContact O-CG 3.44Å
651K97.9Very high97.5Very high67 Ų6715.3 Ų15.329%0.2917%0.068SC..Hα-helixtrans-82.8-27.6172.2-55.7179.8-157.8-74.20112.4E122 F541 Y544 L648 A649E122-K651 WeakPolarHBondContact OE1-CE 3.4Å; E122-K651 IonicContact OE1-NZ 2.7Å; E122-K651 PolarHBondContact OE1-NZ 2.69Å; F541-K651 HydrophobicContact CD2-CB 4.03Å; F541-K651 HydrophobicContact CE2-CB 4.39Å; Y544-K651 HydrophobicContact CD1-CD 4.28Å; Y544-K651 HydrophobicContact CD2-CD 3.66Å; Y544-K651 HydrophobicContact CE1-CD 4.37Å; Y544-K651 HydrophobicContact CE2-CD 3.75Å; Y544-K651 HydrophobicContact CG-CD 3.95Å; L648-K651 PolarHBondContact O-N 3.03Å; A649-K651 VanDerWaalsContact C-N 3.26Å; A649-K651 PolarHBondContact O-N 2.81Å
652I98.7Very high97.5Very high0 Ų015.3 Ų15.30%07%0.068CC..Hα-helixtrans-74.3-55.3-178.8-71.4158.2000113.4F541 I561 V563 L641 Y644 L648 A649 P654 A655 A656 F677F541-I652 HydrophobicContact CE1-CG1 4.12Å; F541-I652 HydrophobicContact CE2-CG1 3.93Å; F541-I652 HydrophobicContact CZ-CD1 4.49Å; F541-I652 HydrophobicContact CZ-CG1 3.5Å; F541-I652 VanDerWaalsContact CZ-CG1 3.5Å; I561-I652 HydrophobicContact CD1-CG2 4.05Å; I561-I652 HydrophobicContact CG2-CG2 3.79Å; V563-I652 HydrophobicContact CG1-CD1 4.12Å; V563-I652 HydrophobicContact CG2-CG2 3.96Å; L641-I652 HydrophobicContact CD1-CD1 3.81Å; L641-I652 HydrophobicContact CD1-CG1 4.15Å; Y644-I652 HydrophobicContact CD2-CD1 3.82Å; Y644-I652 HydrophobicContact CE2-CD1 3.77Å; L648-I652 HydrophobicContact CD2-CD1 4.11Å; L648-I652 HydrophobicContact CG-CD1 3.72Å; L648-I652 HydrophobicContact CG-CG1 4.43Å; L648-I652 WeakPolarHBondContact O-CD1 3.47Å; L648-I652 WeakPolarHBondContact O-CG1 3.2Å; L648-I652 PolarHBondContact O-N 3.18Å; A649-I652 PolarHBondContact O-N 2.83Å; A649-I652 VanDerWaalsContact O-N 3.14Å; I652-P654 VanDerWaalsContact C-CD 3.47Å; I652-A655 PolarHBondContact O-N 3.49Å; I652-A655 VanDerWaalsContact O-N 3.1Å; I652-A656 PolarHBondContact O-N 2.94Å; I652-A656 VanDerWaalsContact O-N 3.08Å; I652-F677 HydrophobicContact CG2-CE1 4.23Å; I652-F677 HydrophobicContact CG2-CZ 4.29Å
653F98.7Very high97.5Very high0 Ų012.3 Ų12.30%06%0.055CC..Hα-helixtrans-58.7-39.5-172-60.7-65000113.8W485 V563 A649 A655 K676 F677 N680W485-F653 AromaticContact CE3-CD2 3.64Å; W485-F653 HydrophobicContact CE3-CD2 3.64Å; W485-F653 AromaticContact CE3-CE2 3.82Å; W485-F653 HydrophobicContact CE3-CE2 3.82Å; W485-F653 HydrophobicContact CH2-CE2 4.29Å; W485-F653 AromaticContact CZ3-CD2 3.62Å; W485-F653 HydrophobicContact CZ3-CD2 3.62Å; W485-F653 AromaticContact CZ3-CE2 3.49Å; W485-F653 HydrophobicContact CZ3-CE2 3.49Å; W485-F653 VanDerWaalsContact CZ3-CE2 3.49Å; V563-F653 HydrophobicContact CG2-CE1 4.42Å; A649-F653 HydrophobicContact CB-CD2 4.3Å; A649-F653 HydrophobicContact CB-CE2 3.62Å; A649-F653 HydrophobicContact CB-CZ 4.31Å; A649-F653 WeakPolarHBondContact O-CD2 3.32Å; A649-F653 PolarHBondContact O-N 3.08Å; F653-A655 VanDerWaalsContact C-N 3.33Å; F653-A655 PolarHBondContact O-N 3.09Å; F653-K676 HydrophobicContact CB-CB 4.42Å; F653-K676 HydrophobicContact CD1-CB 3.66Å; F653-K676 HydrophobicContact CD1-CD 4.48Å; F653-K676 HydrophobicContact CD2-CB 3.98Å; F653-K676 HydrophobicContact CD2-CD 3.85Å; F653-K676 HydrophobicContact CE1-CB 3.86Å; F653-K676 HydrophobicContact CE1-CD 4.03Å; F653-K676 HydrophobicContact CE2-CB 4.16Å; F653-K676 HydrophobicContact CE2-CD 3.32Å; F653-K676 HydrophobicContact CE2-CG 4.38Å; F653-K676 HydrophobicContact CG-CB 3.76Å; F653-K676 HydrophobicContact CG-CD 4.43Å; F653-K676 HydrophobicContact CZ-CB 4.12Å; F653-K676 HydrophobicContact CZ-CD 3.45Å; F653-K676 VanDerWaalsContact CZ-CD 3.45Å; F653-K676 HydrophobicContact CZ-CG 4.44Å; F653-F677 AromaticContact CD1-CD1 3.65Å; F653-F677 HydrophobicContact CD1-CD1 3.65Å; F653-F677 AromaticContact CD1-CD2 3.81Å; F653-F677 HydrophobicContact CD1-CD2 3.81Å; F653-F677 AromaticContact CD1-CE1 3.63Å; F653-F677 HydrophobicContact CD1-CE1 3.63Å; F653-F677 AromaticContact CD1-CE2 3.85Å; F653-F677 HydrophobicContact CD1-CE2 3.85Å; F653-F677 AromaticContact CD1-CG 3.75Å; F653-F677 HydrophobicContact CD1-CG 3.75Å; F653-F677 AromaticContact CD1-CZ 3.77Å; F653-F677 HydrophobicContact CD1-CZ 3.77Å; F653-F677 HydrophobicContact CE1-CD1 4.32Å; F653-F677 AromaticContact CE1-CD2 3.69Å; F653-F677 HydrophobicContact CE1-CD2 3.69Å; F653-F677 HydrophobicContact CE1-CE1 4.1Å; F653-F677 AromaticContact CE1-CE2 3.51Å; F653-F677 HydrophobicContact CE1-CE2 3.51Å; F653-F677 HydrophobicContact CE1-CG 4.14Å; F653-F677 AromaticContact CE1-CZ 3.73Å; F653-F677 HydrophobicContact CE1-CZ 3.73Å; F653-N680 VanDerWaalsContact O-CB 3.22Å; F653-N680 WeakPolarHBondContact O-CB 3.34Å
654P98.9Very high97.6Very high4 Ų411.8 Ų11.83%0.0265%0.052CC..Hα-helixtrans-65.1-32.7176.1-22.434.9000113.8C489 N490 K534 N537 E650 I652C489-P654 HydrophobicContact CB-CG 4.24Å; C489-P654 WeakPolarHBondContact O-CG 2.89Å; N490-P654 HydrophobicContact CB-CB 4.1Å; N490-P654 HydrophobicContact CB-CG 4.06Å; K534-P654 PolarHBondContact NZ-O 3.26Å; N537-P654 HydrophobicContact CB-CB 4.05Å; N537-P654 WeakPolarHBondContact CB-O 3.29Å; N537-P654 WeakPolarHBondContact ND2-CB 3.04Å; N537-P654 PolarHBondContact ND2-O 2.94Å; E650-P654 WeakPolarHBondContact O-CD 3.48Å; E650-P654 WeakPolarHBondContact O-CG 3.44Å; I652-P654 VanDerWaalsContact C-CD 3.47Å
655A98.8Very high97.6Very high0 Ų010.6 Ų10.60%05%0.048CC..Hα-helixtrans-85.4-28.8-175.200000114N537 K538 F541 F559 I652 F653N537-A655 HydrophobicContact CB-CB 4.45Å; K538-A655 HydrophobicContact CG-CB 4.42Å; K538-A655 WeakPolarHBondContact CG-O 3.38Å; F541-A655 HydrophobicContact CB-CB 3.66Å; F541-A655 HydrophobicContact CD1-CB 3.93Å; F541-A655 HydrophobicContact CG-CB 4.07Å; F559-A655 HydrophobicContact CD2-CB 4.24Å; F559-A655 HydrophobicContact CE2-CB 4.44Å; I652-A655 PolarHBondContact O-N 3.49Å; I652-A655 VanDerWaalsContact O-N 3.1Å; F653-A655 VanDerWaalsContact C-N 3.33Å; F653-A655 PolarHBondContact O-N 3.09Å
656A98.8Very high97.5Very high0 Ų07.7 Ų7.70%04%0.043CC..  trans-64151.1-175.100000114.2K534 I561 I652 F677 A682K534-A656 WeakPolarHBondContact CD-O 3.33Å; K534-A656 WeakPolarHBondContact CE-O 3.41Å; K534-A656 PolarHBondContact NZ-O 3.31Å; I561-A656 HydrophobicContact CB-CB 4.35Å; I561-A656 HydrophobicContact CD1-CB 3.76Å; I561-A656 HydrophobicContact CG1-CB 4.02Å; I652-A656 PolarHBondContact O-N 2.94Å; I652-A656 VanDerWaalsContact O-N 3.08Å; A656-F677 HydrophobicContact CB-CD1 3.62Å; A656-F677 HydrophobicContact CB-CE1 3.37Å; A656-A682 HydrophobicContact CB-CB 4.1Å; A656-A682 WeakPolarHBondContact O-CB 3.34Å
657E98.8Very high97.3Very high10 Ų108.2 Ų8.25%0.0475%0.046CC..SBendtrans-120.7-40.5176.1-73165.3148.700112K534 K538 L558 F559 A682 M683 Y787 W793K534-E657 HydrophobicContact CD-CG 3.92Å; K534-E657 HydrophobicContact CG-CG 3.91Å; K538-E657 VanDerWaalsContact CD-CD 3.48Å; K538-E657 HydrophobicContact CD-CG 4.12Å; K538-E657 WeakPolarHBondContact CD-OE1 3.32Å; K538-E657 WeakPolarHBondContact CE-OE1 3.41Å; K538-E657 WeakPolarHBondContact CE-OE2 3.49Å; K538-E657 IonicContact NZ-OE1 2.68Å; K538-E657 PolarHBondContact NZ-OE1 3.13Å; K538-E657 IonicContact NZ-OE2 3.46Å; K538-E657 PolarHBondContact NZ-OE2 3.01Å; L558-E657 WeakPolarHBondContact CA-OE2 3.37Å; L558-E657 HydrophobicContact CD1-CB 3.7Å; F559-E657 PolarHBondContact N-OE2 3.38Å; F559-E657 PolarHBondContact O-N 3.03Å; E657-A682 CarbonylContact O-C 3.46Å; E657-A682 WeakPolarHBondContact O-CA 3.38Å; E657-M683 PolarHBondContact O-N 3.31Å; E657-Y787 PolarHBondContact OE1-OH 3.23Å; E657-W793 HydrophobicContact CB-CZ2 4.16Å; E657-W793 WeakPolarHBondContact O-CZ2 3.41Å
658L98.9Very high97.1Very high0 Ų09.5 Ų9.50%05%0.051CC..EExtended strand (participates in β ladder)trans-112.3141.9169.9-16773.2000110.3L558 F559 D560 I561 M683 V685 F705 V783 W793L558-L658 HydrophobicContact CD1-CB 4.39Å; F559-L658 PolarHBondContact O-N 3.17Å; D560-L658 HydrophobicContact CB-CB 4.4Å; D560-L658 HydrophobicContact CB-CD2 4.48Å; I561-L658 PolarHBondContact N-O 3.46Å; L658-M683 CarbonylContact C-O 3.6Å; L658-M683 WeakPolarHBondContact CA-O 3.28Å; L658-M683 HydrophobicContact CD1-CB 4.25Å; L658-V685 HydrophobicContact CD1-CB 4.09Å; L658-V685 HydrophobicContact CD1-CG1 4.01Å; L658-V685 HydrophobicContact CD2-CG1 3.81Å; L658-V685 HydrophobicContact CG-CB 4.43Å; L658-V685 HydrophobicContact CG-CG1 3.8Å; L658-F705 HydrophobicContact CD1-CD2 4.35Å; L658-V783 HydrophobicContact CD1-CG1 3.8Å; L658-V783 HydrophobicContact CD1-CG2 3.82Å; L658-V783 HydrophobicContact CD2-CG1 3.91Å; L658-V783 HydrophobicContact CD2-CG2 4.4Å; L658-V783 HydrophobicContact CG-CG1 4.39Å; L658-W793 HydrophobicContact CD1-CH2 4.45Å
659S98.7Very high96.7Very high0 Ų09.6 Ų9.60%05%0.053CC..EExtended strand (participates in β ladder)trans-124.9115.2-175.7-170.20000111.3Q661 F677 M683 V685S659-Q661 PolarHBondContact O-N 3.42Å; S659-Q661 PolarHBondContact OG-NE2 2.8Å; S659-F677 WeakPolarHBondContact OG-CB 3.47Å; S659-F677 WeakPolarHBondContact OG-CD2 3.04Å; S659-F677 WeakPolarHBondContact OG-CE2 3.33Å; S659-F677 WeakPolarHBondContact OG-CG 3.05Å; S659-M683 WeakPolarHBondContact CB-O 3.46Å; S659-M683 PolarHBondContact N-O 3.24Å; S659-V685 PolarHBondContact O-N 3.11Å
660E98.7Very high96.3Very high0 Ų010 Ų100%06%0.056CC..EExtended strand (participates in β ladder)trans-86.393.6-171.7-77.5-70.9164.100112.1D560 I561 Q562 K564 I662 V685 Y776 Q780D560-E660 VanDerWaalsContact OD1-CG 3.31Å; D560-E660 WeakPolarHBondContact OD1-CG 3.46Å; I561-E660 PolarHBondContact O-N 2.95Å; I561-E660 VanDerWaalsContact O-N 3.08Å; Q562-E660 HydrophobicContact CB-CB 3.51Å; Q562-E660 HydrophobicContact CB-CG 4.18Å; Q562-E660 HydrophobicContact CG-CB 3.56Å; K564-E660 PolarHBondContact NZ-O 3.3Å; E660-I662 WeakPolarHBondContact OE2-CD1 3.22Å; E660-I662 WeakPolarHBondContact OE2-CG2 2.79Å; E660-V685 VanDerWaalsContact CD-CG1 3.43Å; E660-V685 HydrophobicContact CG-CG1 4.22Å; E660-V685 VanDerWaalsContact OE1-CG1 3.24Å; E660-V685 WeakPolarHBondContact OE1-CG1 3.22Å; E660-Y776 PolarHBondContact OE1-OH 3.48Å; E660-Y776 PolarHBondContact OE2-OH 3.06Å; E660-Q780 PolarHBondContact OE1-NE2 3.31Å
661Q98Very high95.7Very high9 Ų99.6 Ų9.64%0.0426%0.057CC..EExtended strand (participates in β ladder)trans-108.538.8-176.6-51-56.5-21.200112.1S659 S663 N674 T684 V685 N692S659-Q661 PolarHBondContact O-N 3.42Å; S659-Q661 PolarHBondContact OG-NE2 2.8Å; Q661-S663 VanDerWaalsContact C-N 3.26Å; Q661-S663 PolarHBondContact O-N 2.69Å; Q661-S663 VanDerWaalsContact O-N 3.09Å; Q661-N674 HydrophobicContact CG-CB 3.64Å; Q661-T684 HydrophobicContact CB-CG2 3.73Å; Q661-T684 HydrophobicContact CG-CG2 3.6Å; Q661-V685 WeakPolarHBondContact CA-O 3.35Å; Q661-V685 PolarHBondContact N-O 3.09Å; Q661-N692 PolarHBondContact O-ND2 2.9Å
662I98.2Very high95.4Very high0 Ų06.9 Ų6.90%05%0.047CC..  trans-84.439.8-170.162.2169000114.7R571 L574 N575 E660 F707 Y776R571-I662 HydrophobicContact CB-CD1 4.34Å; R571-I662 HydrophobicContact CB-CG1 4.39Å; R571-I662 WeakPolarHBondContact CB-O 3.05Å; R571-I662 PolarHBondContact NE-O 3.49Å; R571-I662 VanDerWaalsContact O-CD1 3.27Å; R571-I662 WeakPolarHBondContact O-CD1 3.28Å; L574-I662 HydrophobicContact CB-CD1 4.19Å; L574-I662 HydrophobicContact CD2-CD1 4.44Å; L574-I662 HydrophobicContact CG-CD1 4.45Å; N575-I662 HydrophobicContact CB-CD1 4.09Å; E660-I662 WeakPolarHBondContact OE2-CD1 3.22Å; E660-I662 WeakPolarHBondContact OE2-CG2 2.79Å; I662-F707 HydrophobicContact CB-CE1 4.38Å; I662-F707 HydrophobicContact CB-CZ 3.86Å; I662-F707 HydrophobicContact CG2-CE1 3.52Å; I662-F707 HydrophobicContact CG2-CZ 3.45Å; I662-F707 VanDerWaalsContact CG2-CZ 3.45Å; I662-Y776 HydrophobicContact CD1-CE2 4.41Å; I662-Y776 HydrophobicContact CG2-CD2 4.44Å; I662-Y776 HydrophobicContact CG2-CE2 3.97Å
663S96.9Very high95.2Very high3 Ų37.6 Ų7.62%0.0215%0.054CC..PPolyproline II helixtrans-63.4161.7172.9-62.60000111.1Y569 R571 Q661 E668 T687 D689Y569-S663 CarbonylContact O-C 3.52Å; Y569-S663 VanDerWaalsContact O-CA 3.26Å; Y569-S663 WeakPolarHBondContact O-CA 3.39Å; R571-S663 PolarHBondContact NH2-O 2.72Å; R571-S663 VanDerWaalsContact NH2-O 3.16Å; Q661-S663 VanDerWaalsContact C-N 3.26Å; Q661-S663 PolarHBondContact O-N 2.69Å; Q661-S663 VanDerWaalsContact O-N 3.09Å; S663-E668 PolarHBondContact OG-OE2 3.11Å; S663-T687 WeakPolarHBondContact O-CG2 3.11Å; S663-T687 PolarHBondContact O-OG1 3.12Å; S663-D689 WeakPolarHBondContact CB-OD2 3.17Å
664T96.8Very high95.1Very high6 Ų67.8 Ų7.84%0.0376%0.055CC..PPolyproline II helixtrans-76131.8176.1-450000108.3Y569 G666 T667 D689 F767Y569-T664 PolarHBondContact O-N 2.88Å; Y569-T664 PolarHBondContact O-OG1 2.77Å; T664-G666 PolarHBondContact O-N 2.95Å; T664-T667 HydrophobicContact CG2-CG2 4.44Å; T664-T667 PolarHBondContact N-OG1 3.4Å; T664-T667 WeakPolarHBondContact O-CB 3.28Å; T664-T667 PolarHBondContact O-N 3.25Å; T664-T667 VanDerWaalsContact O-N 3.09Å; T664-T667 PolarHBondContact O-OG1 2.81Å; T664-D689 VanDerWaalsContact O-OD2 3.05Å; T664-F767 WeakPolarHBondContact OG1-CB 3.49Å; T664-F767 PolarHBondContact OG1-O 2.85Å
665A95.6Very high95Very high4 Ų47.6 Ų7.63%0.0335%0.054CC..THydrogen-bonded Turntrans-59.2124-175.200000111.5L709 V711 V714A665-L709 WeakPolarHBondContact CB-O 3.34Å; A665-V711 HydrophobicContact CB-CG2 4.07Å; A665-V714 HydrophobicContact CB-CG2 4.24Å
666G92.3Very high95Very high18 Ų188 Ų819%0.1866%0.056CC..THydrogen-bonded Turntrans8732.6-173.100000113.5I373 T664 D689I373-G666 WeakPolarHBondContact CD1-O 3.45Å; T664-G666 PolarHBondContact O-N 2.95Å; G666-D689 WeakPolarHBondContact CA-OD1 3.38Å; G666-D689 PolarHBondContact N-OD1 3.18Å
667T92.4Very high95Very high14 Ų148 Ų89%0.0866%0.056CC..THydrogen-bonded Turntrans-133.5-33.8177.264.50000115.4L374 Y569 T664 D689L374-T667 HydrophobicContact CD2-CG2 4.38Å; Y569-T667 WeakPolarHBondContact CD2-OG1 3.49Å; T664-T667 HydrophobicContact CG2-CG2 4.44Å; T664-T667 PolarHBondContact N-OG1 3.4Å; T664-T667 WeakPolarHBondContact O-CB 3.28Å; T664-T667 PolarHBondContact O-N 3.25Å; T664-T667 VanDerWaalsContact O-N 3.09Å; T664-T667 PolarHBondContact O-OG1 2.81Å; T667-D689 PolarHBondContact N-OD1 2.91Å
668E91.3Very high94.9Very high34 Ų347.5 Ų7.516%0.1595%0.053CC..  trans-90.1107.9175.4-168.988.2-122.200111.1Y569 K570 S663 S670 D689 G690Y569-E668 HydrophobicContact CE2-CB 4.37Å; K570-E668 WeakPolarHBondContact CE-OE2 3.28Å; K570-E668 IonicContact NZ-OE1 2.72Å; K570-E668 PolarHBondContact NZ-OE1 3.09Å; K570-E668 IonicContact NZ-OE2 3.12Å; K570-E668 PolarHBondContact NZ-OE2 3.5Å; S663-E668 PolarHBondContact OG-OE2 3.11Å; E668-S670 PolarHBondContact O-N 3.44Å; E668-D689 WeakPolarHBondContact CB-OD2 3.43Å; E668-D689 PolarHBondContact N-OD2 2.93Å; E668-G690 WeakPolarHBondContact O-CA 3.32Å; E668-G690 PolarHBondContact O-N 3.18Å
669A88.3Confident94.9Very high6 Ų67.5 Ų7.55%0.055%0.053CC..SBendtrans-53.3-55.117800000113.4H371 V449 A450 H453H371-A669 WeakPolarHBondContact O-CB 3.49Å; V449-A669 HydrophobicContact CG2-CB 3.87Å; A450-A669 VanDerWaalsContact CB-O 3.3Å; A450-A669 WeakPolarHBondContact CB-O 3.37Å; H453-A669 WeakPolarHBondContact CB-O 3.46Å; H453-A669 WeakPolarHBondContact CE1-CB 3.42Å; H453-A669 WeakPolarHBondContact ND1-CA 3.46Å; H453-A669 WeakPolarHBondContact ND1-CB 3.36Å
670S88.2Confident94.9Very high12 Ų127.6 Ų7.68%0.0845%0.054CC..  trans-168.3107165.1177.80000109.7V449 N478 E668 A691V449-S670 VanDerWaalsContact O-CB 3.23Å; V449-S670 WeakPolarHBondContact O-CB 3.22Å; V449-S670 PolarHBondContact O-OG 2.96Å; N478-S670 PolarHBondContact ND2-O 2.69Å; E668-S670 PolarHBondContact O-N 3.44Å; S670-A691 WeakPolarHBondContact OG-CB 3.48Å
671G85.6Confident94.9Very high14 Ų147.6 Ų7.614%0.1445%0.054CC..  trans-57.8153.7162.900000111.5N674 M675G671-N674 VanDerWaalsContact C-OD1 3.29Å; G671-N674 PolarHBondContact O-OD1 2.94Å; G671-N674 VanDerWaalsContact O-OD1 3.1Å; G671-M675 WeakPolarHBondContact O-CE 3.36Å
672T91.7Very high95Very high11 Ų117.2 Ų7.27%0.0675%0.052CC..SBendtrans-119.35.3167.566.50000111.9L137 N478 M675 K676L137-T672 HydrophobicContact CD1-CG2 4.15Å; N478-T672 HydrophobicContact CB-CG2 4.11Å; T672-M675 HydrophobicContact CG2-SD 4.36Å; T672-K676 WeakPolarHBondContact O-CD 3.17Å; T672-K676 WeakPolarHBondContact O-CE 3.35Å; T672-K676 WeakPolarHBondContact O-CG 3.47Å
673G94.1Very high95Very high15 Ų157.2 Ų7.216%0.1555%0.052CC..Hα-helixtrans-79.5-49.9176.700000110.8M675 K676 F677G673-M675 VanDerWaalsContact C-N 3.28Å; G673-M675 PolarHBondContact O-N 2.82Å; G673-K676 WeakPolarHBondContact O-CB 3.42Å; G673-K676 PolarHBondContact O-N 3.01Å; G673-F677 WeakPolarHBondContact O-CD2 3.49Å; G673-F677 PolarHBondContact O-N 3.31Å
674N95.7Very high95.1Very high3 Ų37 Ų72%0.0165%0.051CC..Hα-helixtrans-46.1-47.4171.357.5-12.7000112.7Q661 G671 K676 F677 M678 N692 M695Q661-N674 HydrophobicContact CG-CB 3.64Å; G671-N674 VanDerWaalsContact C-OD1 3.29Å; G671-N674 PolarHBondContact O-OD1 2.94Å; G671-N674 VanDerWaalsContact O-OD1 3.1Å; N674-K676 VanDerWaalsContact C-N 3.3Å; N674-K676 PolarHBondContact O-N 2.78Å; N674-F677 PolarHBondContact O-N 3.08Å; N674-M678 WeakPolarHBondContact O-CB 3.19Å; N674-M678 PolarHBondContact O-N 2.75Å; N674-N692 PolarHBondContact ND2-OD1 3.2Å; N674-M695 HydrophobicContact CB-CE 3.91Å; N674-M695 HydrophobicContact CB-SD 3.58Å; N674-M695 VanDerWaalsContact CB-SD 3.58Å; N674-M695 PolarHBondContact ND2-SD 3.1Å
675M97.2Very high95.1Very high1 Ų16.8 Ų6.81%0.0055%0.049CC..Hα-helixtrans-57.4-38.2176.3-59.9171.6-179.100113.2T477 N478 I480 G671 T672 G673 L679 A691 M695 F807T477-M675 HydrophobicContact CG2-CE 4.35Å; N478-M675 HydrophobicContact CB-CE 4Å; N478-M675 WeakPolarHBondContact O-CE 3.41Å; I480-M675 HydrophobicContact CD1-CB 3.89Å; I480-M675 HydrophobicContact CG1-CB 4.21Å; I480-M675 HydrophobicContact CG2-CB 4.21Å; I480-M675 HydrophobicContact CG2-SD 4.36Å; G671-M675 WeakPolarHBondContact O-CE 3.36Å; T672-M675 HydrophobicContact CG2-SD 4.36Å; G673-M675 VanDerWaalsContact C-N 3.28Å; G673-M675 PolarHBondContact O-N 2.82Å; M675-L679 VanDerWaalsContact O-CB 3.29Å; M675-L679 WeakPolarHBondContact O-CB 3.44Å; M675-L679 PolarHBondContact O-N 3.1Å; M675-A691 HydrophobicContact CE-CB 3.74Å; M675-M695 HydrophobicContact CG-SD 4.47Å; M675-F807 HydrophobicContact CB-CB 4.05Å; M675-F807 HydrophobicContact CE-CD1 3.73Å; M675-F807 HydrophobicContact CE-CE1 4.45Å; M675-F807 HydrophobicContact CE-CG 4.46Å; M675-F807 HydrophobicContact CG-CB 3.78Å; M675-F807 HydrophobicContact CG-CD1 4.08Å; M675-F807 HydrophobicContact CG-CG 3.94Å; M675-F807 HydrophobicContact SD-CB 3.96Å; M675-F807 HydrophobicContact SD-CD1 4.2Å; M675-F807 HydrophobicContact SD-CG 4.38Å
676K98.2Very high95.3Very high8 Ų86.6 Ų6.64%0.0355%0.047CC..Hα-helixtrans-77.3-38.4-179.3-60.1168-175.7-170.10111.8I480 W485 F653 T672 G673 N674 L679 N680I480-K676 HydrophobicContact CB-CG 4.47Å; I480-K676 HydrophobicContact CD1-CB 4.16Å; I480-K676 HydrophobicContact CD1-CG 3.53Å; I480-K676 HydrophobicContact CG2-CG 4.01Å; W485-K676 HydrophobicContact CB-CG 4.1Å; W485-K676 HydrophobicContact CD2-CD 3.58Å; W485-K676 HydrophobicContact CD2-CG 4.01Å; W485-K676 HydrophobicContact CE3-CD 3.66Å; W485-K676 HydrophobicContact CE3-CG 4.3Å; W485-K676 HydrophobicContact CG-CD 3.99Å; W485-K676 HydrophobicContact CG-CG 3.88Å; W485-K676 VanDerWaalsContact CH2-NZ 3.29Å; W485-K676 HydrophobicContact CZ2-CD 4.48Å; W485-K676 HydrophobicContact CZ3-CD 4.14Å; F653-K676 HydrophobicContact CB-CB 4.42Å; F653-K676 HydrophobicContact CD1-CB 3.66Å; F653-K676 HydrophobicContact CD1-CD 4.48Å; F653-K676 HydrophobicContact CD2-CB 3.98Å; F653-K676 HydrophobicContact CD2-CD 3.85Å; F653-K676 HydrophobicContact CE1-CB 3.86Å; F653-K676 HydrophobicContact CE1-CD 4.03Å; F653-K676 HydrophobicContact CE2-CB 4.16Å; F653-K676 HydrophobicContact CE2-CD 3.32Å; F653-K676 HydrophobicContact CE2-CG 4.38Å; F653-K676 HydrophobicContact CG-CB 3.76Å; F653-K676 HydrophobicContact CG-CD 4.43Å; F653-K676 HydrophobicContact CZ-CB 4.12Å; F653-K676 HydrophobicContact CZ-CD 3.45Å; F653-K676 VanDerWaalsContact CZ-CD 3.45Å; F653-K676 HydrophobicContact CZ-CG 4.44Å; T672-K676 WeakPolarHBondContact O-CD 3.17Å; T672-K676 WeakPolarHBondContact O-CE 3.35Å; T672-K676 WeakPolarHBondContact O-CG 3.47Å; G673-K676 WeakPolarHBondContact O-CB 3.42Å; G673-K676 PolarHBondContact O-N 3.01Å; N674-K676 VanDerWaalsContact C-N 3.3Å; N674-K676 PolarHBondContact O-N 2.78Å; K676-L679 PolarHBondContact O-N 3.08Å; K676-N680 WeakPolarHBondContact O-CB 3.49Å; K676-N680 PolarHBondContact O-N 3.31Å; K676-N680 PolarHBondContact O-ND2 3Å
677F98.7Very high95.5Very high0 Ų05.7 Ų5.70%04%0.039CC..Hα-helixtrans-60.9-48.6172.4-77.5-64.5000110.8I561 V563 I652 F653 A656 S659 G673 N674 L679 N680 G681 A682I561-F677 HydrophobicContact CB-CE1 4.27Å; I561-F677 HydrophobicContact CB-CZ 4.2Å; I561-F677 HydrophobicContact CG2-CE1 4.44Å; I561-F677 HydrophobicContact CG2-CZ 4.06Å; V563-F677 HydrophobicContact CG2-CE2 4.18Å; V563-F677 HydrophobicContact CG2-CZ 3.8Å; I652-F677 HydrophobicContact CG2-CE1 4.23Å; I652-F677 HydrophobicContact CG2-CZ 4.29Å; F653-F677 AromaticContact CD1-CD1 3.65Å; F653-F677 HydrophobicContact CD1-CD1 3.65Å; F653-F677 AromaticContact CD1-CD2 3.81Å; F653-F677 HydrophobicContact CD1-CD2 3.81Å; F653-F677 AromaticContact CD1-CE1 3.63Å; F653-F677 HydrophobicContact CD1-CE1 3.63Å; F653-F677 AromaticContact CD1-CE2 3.85Å; F653-F677 HydrophobicContact CD1-CE2 3.85Å; F653-F677 AromaticContact CD1-CG 3.75Å; F653-F677 HydrophobicContact CD1-CG 3.75Å; F653-F677 AromaticContact CD1-CZ 3.77Å; F653-F677 HydrophobicContact CD1-CZ 3.77Å; F653-F677 HydrophobicContact CE1-CD1 4.32Å; F653-F677 AromaticContact CE1-CD2 3.69Å; F653-F677 HydrophobicContact CE1-CD2 3.69Å; F653-F677 HydrophobicContact CE1-CE1 4.1Å; F653-F677 AromaticContact CE1-CE2 3.51Å; F653-F677 HydrophobicContact CE1-CE2 3.51Å; F653-F677 HydrophobicContact CE1-CG 4.14Å; F653-F677 AromaticContact CE1-CZ 3.73Å; F653-F677 HydrophobicContact CE1-CZ 3.73Å; A656-F677 HydrophobicContact CB-CD1 3.62Å; A656-F677 HydrophobicContact CB-CE1 3.37Å; S659-F677 WeakPolarHBondContact OG-CB 3.47Å; S659-F677 WeakPolarHBondContact OG-CD2 3.04Å; S659-F677 WeakPolarHBondContact OG-CE2 3.33Å; S659-F677 WeakPolarHBondContact OG-CG 3.05Å; G673-F677 WeakPolarHBondContact O-CD2 3.49Å; G673-F677 PolarHBondContact O-N 3.31Å; N674-F677 PolarHBondContact O-N 3.08Å; F677-L679 PolarHBondContact O-N 2.78Å; F677-N680 CarbonylContact O-C 3.51Å; F677-N680 PolarHBondContact O-N 2.91Å; F677-N680 VanDerWaalsContact O-N 3.12Å; F677-G681 PolarHBondContact O-N 3.01Å; F677-A682 HydrophobicContact CB-CB 3.98Å; F677-A682 HydrophobicContact CD1-CB 3.93Å; F677-A682 HydrophobicContact CG-CB 4.42Å; F677-A682 PolarHBondContact O-N 2.62Å
678M98.3Very high95.7Very high0 Ų07.5 Ų7.50%05%0.047CC..Hα-helixtrans-56.6-49.2174.1-177.8-169.5-175.100112.3N674 N680 G681 M695 M699 N800 I801 F807N674-M678 WeakPolarHBondContact O-CB 3.19Å; N674-M678 PolarHBondContact O-N 2.75Å; M678-N680 PolarHBondContact O-N 3.13Å; M678-G681 PolarHBondContact O-N 2.84Å; M678-M695 HydrophobicContact CB-CE 3.84Å; M678-M695 HydrophobicContact CG-CE 4.24Å; M678-M695 HydrophobicContact SD-CB 4.36Å; M678-M695 HydrophobicContact SD-CE 3.92Å; M678-M695 HydrophobicContact SD-CG 3.86Å; M678-M695 HydrophobicContact SD-SD 4.33Å; M678-M699 HydrophobicContact CE-CB 4.13Å; M678-M699 HydrophobicContact CE-CE 4.05Å; M678-M699 HydrophobicContact CG-CE 4.43Å; M678-M699 HydrophobicContact SD-CE 4.27Å; M678-N800 WeakPolarHBondContact CE-O 3.38Å; M678-N800 HydrophobicContact CG-CB 4.09Å; M678-N800 WeakPolarHBondContact CG-O 3.2Å; M678-N800 CarbonylContact O-C 3.59Å; M678-I801 PolarHBondContact O-N 3.34Å; M678-F807 HydrophobicContact CE-CD2 4.41Å; M678-F807 HydrophobicContact CE-CE2 4.12Å; M678-F807 HydrophobicContact SD-CD2 3.8Å; M678-F807 HydrophobicContact SD-CE2 3.85Å
679L98.7Very high95.8Very high0 Ų06.2 Ų6.20%04%0.041CC..Hα-helixtrans-60.6-28.4176.6-179.962.2000113.1I480 W485 L486 L511 I514 M675 K676 F677 S804I480-L679 HydrophobicContact CD1-CB 4.33Å; I480-L679 HydrophobicContact CD1-CD2 3.72Å; W485-L679 HydrophobicContact CB-CD2 4.19Å; L486-L679 HydrophobicContact CB-CD1 4.32Å; L486-L679 HydrophobicContact CB-CD2 3.88Å; L486-L679 HydrophobicContact CB-CG 4Å; L486-L679 HydrophobicContact CD2-CD1 3.69Å; L486-L679 HydrophobicContact CD2-CG 4.24Å; L511-L679 HydrophobicContact CD1-CD1 4.28Å; L511-L679 HydrophobicContact CD2-CD1 4.2Å; I514-L679 HydrophobicContact CD1-CD1 4.41Å; M675-L679 VanDerWaalsContact O-CB 3.29Å; M675-L679 WeakPolarHBondContact O-CB 3.44Å; M675-L679 PolarHBondContact O-N 3.1Å; K676-L679 PolarHBondContact O-N 3.08Å; F677-L679 PolarHBondContact O-N 2.78Å; L679-S804 VanDerWaalsContact CD1-OG 3.24Å; L679-S804 WeakPolarHBondContact CD1-OG 3.23Å
680N98.8Very high96Very high2 Ų26 Ų61%0.0114%0.039CC..THydrogen-bonded Turntrans-97.111.7174.8-74.3-90.1000113.5W485 N490 K534 F653 K676 F677 M678 A682W485-N680 PolarHBondContact O-ND2 3.36Å; N490-N680 WeakPolarHBondContact CB-OD1 3.48Å; N490-N680 PolarHBondContact ND2-OD1 3.2Å; K534-N680 PolarHBondContact NZ-O 3.47Å; F653-N680 VanDerWaalsContact O-CB 3.22Å; F653-N680 WeakPolarHBondContact O-CB 3.34Å; K676-N680 WeakPolarHBondContact O-CB 3.49Å; K676-N680 PolarHBondContact O-N 3.31Å; K676-N680 PolarHBondContact O-ND2 3Å; F677-N680 CarbonylContact O-C 3.51Å; F677-N680 PolarHBondContact O-N 2.91Å; F677-N680 VanDerWaalsContact O-N 3.12Å; M678-N680 PolarHBondContact O-N 3.13Å; N680-A682 PolarHBondContact O-N 3.27Å
681G98.5Very high96.2Very high0 Ų05.5 Ų5.50%04%0.036CC..THydrogen-bonded Turntrans71.920.3174.200000115.9F677 M678 M683 M797F677-G681 PolarHBondContact O-N 3.01Å; M678-G681 PolarHBondContact O-N 2.84Å; G681-M683 WeakPolarHBondContact O-CE 3.4Å; G681-M797 WeakPolarHBondContact O-CG 3.42Å
682A98.7Very high96.7Very high0 Ų05.1 Ų5.10%03%0.03CC..PPolyproline II helixtrans-82.2134.3168.300000110.3A656 E657 F677 N680A656-A682 HydrophobicContact CB-CB 4.1Å; A656-A682 WeakPolarHBondContact O-CB 3.34Å; E657-A682 CarbonylContact O-C 3.46Å; E657-A682 WeakPolarHBondContact O-CA 3.38Å; F677-A682 HydrophobicContact CB-CB 3.98Å; F677-A682 HydrophobicContact CD1-CB 3.93Å; F677-A682 HydrophobicContact CG-CB 4.42Å; F677-A682 PolarHBondContact O-N 2.62Å; N680-A682 PolarHBondContact O-N 3.27Å
683M98.5Very high97Very high0 Ų05.9 Ų5.90%04%0.035CC..EExtended strand (participates in β ladder)trans-71.9138.2179.8-61.3-56.992.600110.2E657 L658 S659 G681 F705 W793 M796 M797 N800E657-M683 PolarHBondContact O-N 3.31Å; L658-M683 CarbonylContact C-O 3.6Å; L658-M683 WeakPolarHBondContact CA-O 3.28Å; L658-M683 HydrophobicContact CD1-CB 4.25Å; S659-M683 WeakPolarHBondContact CB-O 3.46Å; S659-M683 PolarHBondContact N-O 3.24Å; G681-M683 WeakPolarHBondContact O-CE 3.4Å; M683-F705 HydrophobicContact CB-CD2 4.21Å; M683-F705 HydrophobicContact CB-CE2 3.93Å; M683-F705 HydrophobicContact CG-CE2 4.21Å; M683-W793 HydrophobicContact CB-CH2 3.83Å; M683-W793 HydrophobicContact CB-CZ2 4.05Å; M683-W793 HydrophobicContact CB-CZ3 4.45Å; M683-W793 HydrophobicContact CG-CD2 4.21Å; M683-W793 HydrophobicContact CG-CE3 4.17Å; M683-W793 HydrophobicContact CG-CH2 3.47Å; M683-W793 VanDerWaalsContact CG-CH2 3.47Å; M683-W793 HydrophobicContact CG-CZ2 3.46Å; M683-W793 VanDerWaalsContact CG-CZ2 3.46Å; M683-W793 HydrophobicContact CG-CZ3 3.84Å; M683-M796 HydrophobicContact CE-CB 4.33Å; M683-M796 WeakPolarHBondContact CE-O 3.36Å; M683-M796 HydrophobicContact SD-CB 3.41Å; M683-M796 WeakPolarHBondContact SD-CB 3.31Å; M683-M796 HydrophobicContact SD-CE 3.96Å; M683-M797 VanDerWaalsContact CE-CA 3.48Å; M683-M797 HydrophobicContact CE-CB 4.27Å; M683-N800 HydrophobicContact CE-CB 3.88Å; M683-N800 VanDerWaalsContact CE-ND2 3.29Å; M683-N800 WeakPolarHBondContact CE-ND2 3.49Å
684T98.6Very high97.1Very high0 Ų05.5 Ų5.50%03%0.029CC..EExtended strand (participates in β ladder)trans-88.6129.5174.8-61.40000110.4Q661 M695 M704 F705Q661-T684 HydrophobicContact CB-CG2 3.73Å; Q661-T684 HydrophobicContact CG-CG2 3.6Å; T684-M695 WeakPolarHBondContact OG1-CE 3.4Å; T684-M704 HydrophobicContact CG2-CE 3.56Å; T684-M704 HydrophobicContact CG2-CG 4.45Å; T684-M704 HydrophobicContact CG2-SD 4.19Å; T684-M704 WeakPolarHBondContact O-CG 3.24Å; T684-F705 PolarHBondContact O-N 2.98Å
685V98.8Very high97.2Very high0 Ų05.3 Ų5.30%03%0.028CC..EExtended strand (participates in β ladder)trans-107.7129.515961.90000108.6L658 S659 E660 Q661 F705 F707 Y776 V779L658-V685 HydrophobicContact CD1-CB 4.09Å; L658-V685 HydrophobicContact CD1-CG1 4.01Å; L658-V685 HydrophobicContact CD2-CG1 3.81Å; L658-V685 HydrophobicContact CG-CB 4.43Å; L658-V685 HydrophobicContact CG-CG1 3.8Å; S659-V685 PolarHBondContact O-N 3.11Å; E660-V685 VanDerWaalsContact CD-CG1 3.43Å; E660-V685 HydrophobicContact CG-CG1 4.22Å; E660-V685 VanDerWaalsContact OE1-CG1 3.24Å; E660-V685 WeakPolarHBondContact OE1-CG1 3.22Å; Q661-V685 WeakPolarHBondContact CA-O 3.35Å; Q661-V685 PolarHBondContact N-O 3.09Å; V685-F705 VanDerWaalsContact CA-O 3.32Å; V685-F705 WeakPolarHBondContact CA-O 3.31Å; V685-F705 HydrophobicContact CB-CB 4.03Å; V685-F705 HydrophobicContact CG2-CB 4.04Å; V685-F707 HydrophobicContact CG2-CD1 4.08Å; V685-F707 HydrophobicContact CG2-CE1 3.95Å; V685-Y776 HydrophobicContact CG2-CE2 4.41Å; V685-V779 HydrophobicContact CG2-CG1 3.63Å
686G97.9Very high97.2Very high0 Ų05.8 Ų5.80%03%0.031CC..EExtended strand (participates in β ladder)trans-176.5172.9-171.700000115.4F705 V706 F707G686-F705 PolarHBondContact N-O 2.77Å; G686-V706 WeakPolarHBondContact O-CA 3.26Å; G686-F707 WeakPolarHBondContact O-CD1 3.4Å; G686-F707 PolarHBondContact O-N 3.42Å
687T97.8Very high97.1Very high0 Ų011 Ų110%06%0.056CC..  trans-84.8167.2166.145.90000110.8R571 S663 D689 N692 F707R571-T687 VanDerWaalsContact NH2-CG2 3.27Å; S663-T687 WeakPolarHBondContact O-CG2 3.11Å; S663-T687 PolarHBondContact O-OG1 3.12Å; T687-D689 PolarHBondContact O-N 2.99Å; T687-N692 VanDerWaalsContact O-CB 3.28Å; T687-N692 WeakPolarHBondContact O-CB 3.5Å; T687-N692 PolarHBondContact O-ND2 2.85Å; T687-F707 HydrophobicContact CG2-CE2 4.4Å; T687-F707 HydrophobicContact CG2-CZ 4.44Å
688M96.2Very high97Very high52 Ų5214.4 Ų14.426%0.2567%0.072SC..SBendtrans-77.960.2170.2-63.3-58.2-76.900111V693 C696 V706M688-V693 HydrophobicContact CB-CG2 4.12Å; M688-V693 HydrophobicContact CE-CB 4.27Å; M688-V693 HydrophobicContact CE-CG1 4.06Å; M688-V693 HydrophobicContact CE-CG2 4.24Å; M688-V693 WeakPolarHBondContact O-CG2 3.35Å; M688-C696 HydrophobicContact CE-CB 4.29Å; M688-V706 HydrophobicContact CG-CG1 3.63Å; M688-V706 HydrophobicContact SD-CG1 3.63Å; M688-V706 HydrophobicContact SD-CG2 4.05Å
689D93.9Very high96.9Very high6 Ų614.5 Ų14.53%0.0327%0.072CC..  trans-114.6141.8-177.5-166.831.7000112.3S663 T664 G666 T667 E668 T687 A691 N692S663-D689 WeakPolarHBondContact CB-OD2 3.17Å; T664-D689 VanDerWaalsContact O-OD2 3.05Å; G666-D689 WeakPolarHBondContact CA-OD1 3.38Å; G666-D689 PolarHBondContact N-OD1 3.18Å; T667-D689 PolarHBondContact N-OD1 2.91Å; E668-D689 WeakPolarHBondContact CB-OD2 3.43Å; E668-D689 PolarHBondContact N-OD2 2.93Å; T687-D689 PolarHBondContact O-N 2.99Å; D689-A691 PolarHBondContact O-N 2.74Å; D689-N692 WeakPolarHBondContact O-CB 3.43Å; D689-N692 PolarHBondContact O-N 3Å
690G91.8Very high96.8Very high2 Ų215.4 Ų15.42%0.0218%0.082CC..THydrogen-bonded Turntrans46-127.5178.900000114.2I452 E668 N692I452-G690 VanDerWaalsContact CG2-O 3.31Å; I452-G690 WeakPolarHBondContact CG2-O 3.45Å; E668-G690 WeakPolarHBondContact O-CA 3.32Å; E668-G690 PolarHBondContact O-N 3.18Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 3.41Å
691A93.1Very high96.7Very high1 Ų121 Ų211%0.00810%0.103CC..Hα-helixtrans-72.6-7.7179.500000115.1S670 M675 D689 V693 E694 M695S670-A691 WeakPolarHBondContact OG-CB 3.48Å; M675-A691 HydrophobicContact CE-CB 3.74Å; D689-A691 PolarHBondContact O-N 2.74Å; A691-V693 PolarHBondContact O-N 3.12Å; A691-E694 PolarHBondContact O-N 2.93Å; A691-M695 WeakPolarHBondContact O-CB 3.4Å; A691-M695 VanDerWaalsContact O-CG 3.32Å; A691-M695 WeakPolarHBondContact O-CG 3.48Å; A691-M695 PolarHBondContact O-N 3.3Å
692N96.5Very high96.6Very high6 Ų626.9 Ų26.93%0.03213%0.131CC..Hα-helixtrans-63.3-34.2174.5-69.1-4.9000111.3Q661 N674 T687 D689 G690 M695 C696 M704Q661-N692 PolarHBondContact O-ND2 2.9Å; N674-N692 PolarHBondContact ND2-OD1 3.2Å; T687-N692 VanDerWaalsContact O-CB 3.28Å; T687-N692 WeakPolarHBondContact O-CB 3.5Å; T687-N692 PolarHBondContact O-ND2 2.85Å; D689-N692 WeakPolarHBondContact O-CB 3.43Å; D689-N692 PolarHBondContact O-N 3Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 3.41Å; N692-M695 PolarHBondContact O-N 3.36Å; N692-C696 WeakPolarHBondContact O-CB 3.4Å; N692-C696 PolarHBondContact O-N 3.24Å; N692-M704 HydrophobicContact CB-CE 3.82Å
693V96.3Very high96.6Very high28 Ų2827.3 Ų27.317%0.1713%0.133CC..Hα-helixtrans-58.3-57175.7-176.10000109.8I452 M688 A691 M695 C696 E697I452-V693 HydrophobicContact CD1-CG2 4.17Å; I452-V693 HydrophobicContact CG2-CG2 4.19Å; M688-V693 HydrophobicContact CB-CG2 4.12Å; M688-V693 HydrophobicContact CE-CB 4.27Å; M688-V693 HydrophobicContact CE-CG1 4.06Å; M688-V693 HydrophobicContact CE-CG2 4.24Å; M688-V693 WeakPolarHBondContact O-CG2 3.35Å; A691-V693 PolarHBondContact O-N 3.12Å; V693-M695 VanDerWaalsContact C-N 3.29Å; V693-M695 PolarHBondContact O-N 3.17Å; V693-C696 WeakPolarHBondContact O-CB 3.45Å; V693-C696 PolarHBondContact O-N 3.07Å; V693-C696 VanDerWaalsContact O-N 3.13Å; V693-E697 WeakPolarHBondContact O-CG 3.46Å; V693-E697 PolarHBondContact O-N 3Å; V693-E697 VanDerWaalsContact O-N 3.12Å
694E96.9Very high96.6Very high6 Ų627.4 Ų27.43%0.02813%0.133CC..Hα-helixtrans-62.9-33.2179.4-71.1177.366.800112.9A450 A451 T477 A691 E697 E698 K806 F807A450-E694 VanDerWaalsContact CA-OE2 3.3Å; A450-E694 WeakPolarHBondContact CA-OE2 3.47Å; A450-E694 WeakPolarHBondContact CB-OE2 3.37Å; A451-E694 HydrophobicContact CB-CG 4.19Å; A451-E694 PolarHBondContact N-OE2 3.18Å; T477-E694 WeakPolarHBondContact CB-OE1 3.3Å; T477-E694 VanDerWaalsContact CG2-OE1 3.32Å; T477-E694 WeakPolarHBondContact CG2-OE1 3.47Å; T477-E694 WeakPolarHBondContact CG2-OE2 3.49Å; T477-E694 PolarHBondContact OG1-OE1 3.31Å; T477-E694 PolarHBondContact OG1-OE2 2.93Å; A691-E694 PolarHBondContact O-N 2.93Å; E694-E697 WeakPolarHBondContact CA-OE2 3.27Å; E694-E698 WeakPolarHBondContact O-CG 3.47Å; E694-E698 PolarHBondContact O-N 3.47Å; E694-K806 WeakPolarHBondContact OE1-CE 3.49Å; E694-F807 HydrophobicContact CB-CE1 3.99Å; E694-F807 HydrophobicContact CB-CZ 3.98Å
695M97.2Very high96.6Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-66.8-41175-78.7177.446.800111.7N674 M675 M678 T684 A691 N692 V693 E697 E698 M699 F807N674-M695 HydrophobicContact CB-CE 3.91Å; N674-M695 HydrophobicContact CB-SD 3.58Å; N674-M695 VanDerWaalsContact CB-SD 3.58Å; N674-M695 PolarHBondContact ND2-SD 3.1Å; M675-M695 HydrophobicContact CG-SD 4.47Å; M678-M695 HydrophobicContact CB-CE 3.84Å; M678-M695 HydrophobicContact CG-CE 4.24Å; M678-M695 HydrophobicContact SD-CB 4.36Å; M678-M695 HydrophobicContact SD-CE 3.92Å; M678-M695 HydrophobicContact SD-CG 3.86Å; M678-M695 HydrophobicContact SD-SD 4.33Å; T684-M695 WeakPolarHBondContact OG1-CE 3.4Å; A691-M695 WeakPolarHBondContact O-CB 3.4Å; A691-M695 VanDerWaalsContact O-CG 3.32Å; A691-M695 WeakPolarHBondContact O-CG 3.48Å; A691-M695 PolarHBondContact O-N 3.3Å; N692-M695 PolarHBondContact O-N 3.36Å; V693-M695 VanDerWaalsContact C-N 3.29Å; V693-M695 PolarHBondContact O-N 3.17Å; M695-E697 VanDerWaalsContact C-N 3.33Å; M695-E698 PolarHBondContact O-N 3.16Å; M695-M699 HydrophobicContact CB-CE 3.77Å; M695-M699 HydrophobicContact CE-CE 3.97Å; M695-M699 VanDerWaalsContact O-CE 3.25Å; M695-M699 WeakPolarHBondContact O-CE 3.46Å; M695-M699 VanDerWaalsContact O-CG 3.31Å; M695-M699 WeakPolarHBondContact O-CG 3.34Å; M695-M699 PolarHBondContact O-N 2.96Å; M695-F807 HydrophobicContact CB-CE2 4.36Å; M695-F807 HydrophobicContact CB-CZ 4.26Å; M695-F807 HydrophobicContact CG-CD2 4.2Å; M695-F807 HydrophobicContact CG-CE1 4.13Å; M695-F807 HydrophobicContact CG-CE2 3.61Å; M695-F807 HydrophobicContact CG-CZ 3.58Å
696C97.4Very high96.5Very high10 Ų1028.9 Ų28.97%0.06814%0.142CC..Hα-helixtrans-63.5-38.6176.9-162.80000111.8M688 N692 V693 G700 M704M688-C696 HydrophobicContact CE-CB 4.29Å; N692-C696 WeakPolarHBondContact O-CB 3.4Å; N692-C696 PolarHBondContact O-N 3.24Å; V693-C696 WeakPolarHBondContact O-CB 3.45Å; V693-C696 PolarHBondContact O-N 3.07Å; V693-C696 VanDerWaalsContact O-N 3.13Å; C696-G700 CarbonylContact O-C 3.39Å; C696-G700 WeakPolarHBondContact O-CA 3.29Å; C696-G700 PolarHBondContact O-N 3.28Å; C696-M704 HydrophobicContact CB-SD 3.9Å
697E97.3Very high96.6Very high119 Ų11929.5 Ų29.556%0.55614%0.144SC*.Hα-helixtrans-58.5-50.6173.6-66.3166.7173.900112.5V693 E694 M695 K806V693-E697 WeakPolarHBondContact O-CG 3.46Å; V693-E697 PolarHBondContact O-N 3Å; V693-E697 VanDerWaalsContact O-N 3.12Å; E694-E697 WeakPolarHBondContact CA-OE2 3.27Å; M695-E697 VanDerWaalsContact C-N 3.33Å; E697-K806 IonicContact OE2-NZ 2.86Å; E697-K806 PolarHBondContact OE2-NZ 3.36Å
698E97Very high96.6Very high70 Ų7030.7 Ų30.733%0.32716%0.157SC..Hα-helixtrans-71.2-35.3-174.4-62.7-53.9125.600113.5K518 E694 M695 S803 K806 F807K518-E698 PolarHBondContact NZ-O 2.97Å; E694-E698 WeakPolarHBondContact O-CG 3.47Å; E694-E698 PolarHBondContact O-N 3.47Å; M695-E698 PolarHBondContact O-N 3.16Å; E698-S803 VanDerWaalsContact O-CB 3.31Å; E698-S803 WeakPolarHBondContact O-CB 3.42Å; E698-S803 PolarHBondContact O-OG 3.16Å; E698-S803 VanDerWaalsContact O-OG 3.09Å; E698-K806 HydrophobicContact CG-CB 4.02Å; E698-K806 HydrophobicContact CG-CD 3.37Å; E698-K806 HydrophobicContact CG-CG 4.38Å; E698-K806 WeakPolarHBondContact OE1-CD 3.45Å; E698-K806 WeakPolarHBondContact OE1-CE 3.13Å; E698-K806 IonicContact OE1-NZ 3.81Å; E698-K806 PolarHBondContact OE1-NZ 2.83Å; E698-F807 HydrophobicContact CG-CE2 4.09Å; E698-F807 HydrophobicContact CG-CZ 4.23Å
699M95Very high96.7Very high2 Ų229.9 Ų29.91%0.0115%0.153CC..Hα-helixtrans-93.3-20.7-174.482.317687.900114.3M678 M695 N703 M704 N800 S803M678-M699 HydrophobicContact CE-CB 4.13Å; M678-M699 HydrophobicContact CE-CE 4.05Å; M678-M699 HydrophobicContact CG-CE 4.43Å; M678-M699 HydrophobicContact SD-CE 4.27Å; M695-M699 HydrophobicContact CB-CE 3.77Å; M695-M699 HydrophobicContact CE-CE 3.97Å; M695-M699 VanDerWaalsContact O-CE 3.25Å; M695-M699 WeakPolarHBondContact O-CE 3.46Å; M695-M699 VanDerWaalsContact O-CG 3.31Å; M695-M699 WeakPolarHBondContact O-CG 3.34Å; M695-M699 PolarHBondContact O-N 2.96Å; M699-N703 HydrophobicContact CB-CB 4.4Å; M699-N703 HydrophobicContact CG-CB 4.01Å; M699-N703 PolarHBondContact O-ND2 3.32Å; M699-N703 HydrophobicContact SD-CB 4.11Å; M699-M704 HydrophobicContact CE-CB 4.39Å; M699-M704 HydrophobicContact CE-SD 4.22Å; M699-M704 HydrophobicContact SD-CB 3.83Å; M699-N800 VanDerWaalsContact SD-CG 3.58Å; M699-N800 PolarHBondContact SD-ND2 3.41Å; M699-N800 VanDerWaalsContact SD-ND2 3.39Å; M699-N800 PolarHBondContact SD-OD1 3.23Å; M699-S803 WeakPolarHBondContact CA-OG 3.48Å
700G96.6Very high96.8Very high20 Ų2031.8 Ų31.821%0.20617%0.165CC..  trans89.7138.6-170.300000112.4C696 E702 N703C696-G700 CarbonylContact O-C 3.39Å; C696-G700 WeakPolarHBondContact O-CA 3.29Å; C696-G700 PolarHBondContact O-N 3.28Å; G700-E702 WeakPolarHBondContact CA-OE2 3.43Å; G700-E702 PolarHBondContact O-N 3.46Å; G700-E702 VanDerWaalsContact O-N 3.13Å; G700-N703 PolarHBondContact O-N 2.94Å
701R96.4Very high96.9Very high120 Ų12032.2 Ų32.245%0.45317%0.167SC..G310 helixtrans-61.2-23.2-175.617457.6-173.683-1.9113.3N703 M704 V706R701-N703 VanDerWaalsContact C-N 3.29Å; R701-M704 PolarHBondContact NH1-O 3.5Å; R701-M704 VanDerWaalsContact O-O 3.06Å; R701-V706 PolarHBondContact NH2-O 3Å
702E97Very high97Very high123 Ų12338.4 Ų38.458%0.57520%0.196SC*.G310 helixtrans-73.7-16.4175.775.3-72.2177.700114G700G700-E702 WeakPolarHBondContact CA-OE2 3.43Å; G700-E702 PolarHBondContact O-N 3.46Å; G700-E702 VanDerWaalsContact O-N 3.13Å
703N98.1Very high97.1Very high9 Ų942.7 Ų42.75%0.04822%0.216CC..G310 helixtrans-101.68.5-179.3-57.8-65.2000113.3M699 G700 R701 M796 M799 N800M699-N703 HydrophobicContact CB-CB 4.4Å; M699-N703 HydrophobicContact CG-CB 4.01Å; M699-N703 PolarHBondContact O-ND2 3.32Å; M699-N703 HydrophobicContact SD-CB 4.11Å; G700-N703 PolarHBondContact O-N 2.94Å; R701-N703 VanDerWaalsContact C-N 3.29Å; N703-M796 HydrophobicContact CB-CB 4.47Å; N703-M796 WeakPolarHBondContact OD1-CA 3.46Å; N703-M796 WeakPolarHBondContact OD1-CG 3.35Å; N703-M799 HydrophobicContact CB-CB 4.19Å; N703-N800 PolarHBondContact O-ND2 2.91Å
704M98.1Very high97.1Very high2 Ų242 Ų421%0.0121%0.211CC..SBendtrans-139.4143.4179.1-179.3167.116900111.8T684 N692 C696 M699 R701 V706T684-M704 HydrophobicContact CG2-CE 3.56Å; T684-M704 HydrophobicContact CG2-CG 4.45Å; T684-M704 HydrophobicContact CG2-SD 4.19Å; T684-M704 WeakPolarHBondContact O-CG 3.24Å; N692-M704 HydrophobicContact CB-CE 3.82Å; C696-M704 HydrophobicContact CB-SD 3.9Å; M699-M704 HydrophobicContact CE-CB 4.39Å; M699-M704 HydrophobicContact CE-SD 4.22Å; M699-M704 HydrophobicContact SD-CB 3.83Å; R701-M704 PolarHBondContact NH1-O 3.5Å; R701-M704 VanDerWaalsContact O-O 3.06Å; M704-V706 HydrophobicContact CE-CG2 4.1Å; M704-V706 HydrophobicContact CG-CG2 3.91Å; M704-V706 HydrophobicContact SD-CG2 4.3Å
705F98.7Very high96.9Very high5 Ų544 Ų442%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-95106.3177.6-62.2-81.1000110.1L658 M683 T684 V685 G686 V779 E782 V783 A786 W793 M796L658-F705 HydrophobicContact CD1-CD2 4.35Å; M683-F705 HydrophobicContact CB-CD2 4.21Å; M683-F705 HydrophobicContact CB-CE2 3.93Å; M683-F705 HydrophobicContact CG-CE2 4.21Å; T684-F705 PolarHBondContact O-N 2.98Å; V685-F705 VanDerWaalsContact CA-O 3.32Å; V685-F705 WeakPolarHBondContact CA-O 3.31Å; V685-F705 HydrophobicContact CB-CB 4.03Å; V685-F705 HydrophobicContact CG2-CB 4.04Å; G686-F705 PolarHBondContact N-O 2.77Å; F705-V779 HydrophobicContact CB-CG2 3.85Å; F705-V779 HydrophobicContact CD1-CG2 4.23Å; F705-E782 HydrophobicContact CD1-CB 4.17Å; F705-E782 HydrophobicContact CE1-CB 4.15Å; F705-V783 HydrophobicContact CB-CG2 4.12Å; F705-V783 HydrophobicContact CD1-CG2 3.65Å; F705-V783 HydrophobicContact CD2-CG2 3.65Å; F705-V783 HydrophobicContact CE1-CB 4.43Å; F705-V783 HydrophobicContact CE1-CG2 3.91Å; F705-V783 HydrophobicContact CE2-CG2 3.91Å; F705-V783 HydrophobicContact CG-CG2 3.51Å; F705-V783 HydrophobicContact CZ-CB 4.46Å; F705-V783 HydrophobicContact CZ-CG2 4.03Å; F705-A786 HydrophobicContact CE1-CB 4.13Å; F705-A786 HydrophobicContact CZ-CB 3.62Å; F705-W793 HydrophobicContact CE2-CH2 4.3Å; F705-W793 AromaticContact CE2-CZ3 3.9Å; F705-W793 HydrophobicContact CE2-CZ3 3.9Å; F705-W793 HydrophobicContact CZ-CZ3 4Å; F705-M796 HydrophobicContact CE2-CE 3.72Å; F705-M796 HydrophobicContact CZ-CE 3.64Å
706V98.2Very high96.9Very high25 Ų2546.3 Ų46.315%0.15224%0.242CC..EExtended strand (participates in β ladder)trans-112.4130.1-175.9-1740000111G686 M688 R701 M704G686-V706 WeakPolarHBondContact O-CA 3.26Å; M688-V706 HydrophobicContact CG-CG1 3.63Å; M688-V706 HydrophobicContact SD-CG1 3.63Å; M688-V706 HydrophobicContact SD-CG2 4.05Å; R701-V706 PolarHBondContact NH2-O 3Å; M704-V706 HydrophobicContact CE-CG2 4.1Å; M704-V706 HydrophobicContact CG-CG2 3.91Å; M704-V706 HydrophobicContact SD-CG2 4.3Å
707F98.6Very high96.8Very high14 Ų1447 Ų476%0.06125%0.245CC..  trans-140.1-178.6176.273.6-80.3000111.3L574 I662 V685 G686 T687 D772 S775 Y776 V779L574-F707 HydrophobicContact CD2-CE2 4.33Å; I662-F707 HydrophobicContact CB-CE1 4.38Å; I662-F707 HydrophobicContact CB-CZ 3.86Å; I662-F707 HydrophobicContact CG2-CE1 3.52Å; I662-F707 HydrophobicContact CG2-CZ 3.45Å; I662-F707 VanDerWaalsContact CG2-CZ 3.45Å; V685-F707 HydrophobicContact CG2-CD1 4.08Å; V685-F707 HydrophobicContact CG2-CE1 3.95Å; G686-F707 WeakPolarHBondContact O-CD1 3.4Å; G686-F707 PolarHBondContact O-N 3.42Å; T687-F707 HydrophobicContact CG2-CE2 4.4Å; T687-F707 HydrophobicContact CG2-CZ 4.44Å; F707-D772 HydrophobicContact CD2-CB 4.47Å; F707-D772 HydrophobicContact CE2-CB 4.23Å; F707-S775 WeakPolarHBondContact CD2-OG 3.37Å; F707-Y776 HydrophobicContact CD1-CD2 4.17Å; F707-Y776 HydrophobicContact CD2-CD2 4.34Å; F707-Y776 HydrophobicContact CD2-CG 4.47Å; F707-Y776 AromaticContact CE1-CD2 3.61Å; F707-Y776 HydrophobicContact CE1-CD2 3.61Å; F707-Y776 HydrophobicContact CE1-CE2 4.24Å; F707-Y776 AromaticContact CE2-CD2 3.85Å; F707-Y776 HydrophobicContact CE2-CD2 3.85Å; F707-Y776 HydrophobicContact CE2-CG 4.01Å; F707-Y776 HydrophobicContact CG-CD2 4.5Å; F707-Y776 AromaticContact CZ-CD2 3.43Å; F707-Y776 HydrophobicContact CZ-CD2 3.43Å; F707-Y776 VanDerWaalsContact CZ-CD2 3.43Å; F707-Y776 HydrophobicContact CZ-CE2 4.16Å; F707-Y776 HydrophobicContact CZ-CG 4.04Å; F707-V779 HydrophobicContact CB-CB 4.1Å; F707-V779 HydrophobicContact CB-CG1 3.9Å; F707-V779 HydrophobicContact CD1-CG1 3.68Å; F707-V779 HydrophobicContact CG-CG1 3.99Å
708G98Very high96.7Very high25 Ų2546.2 Ų46.226%0.25824%0.241SC..SBendtrans78.3178.7171.300000114.6D772 S775G708-D772 VanDerWaalsContact CA-CG 3.42Å; G708-D772 WeakPolarHBondContact CA-OD1 3.29Å; G708-S775 WeakPolarHBondContact CA-OG 3.38Å; G708-S775 PolarHBondContact N-OG 2.85Å; G708-S775 VanDerWaalsContact N-OG 3.08Å
709L98Very high96.5Very high35 Ų3550.1 Ų50.118%0.18326%0.257CS..  trans-68.9140.4177.3-61.6165000111.2A665 Q713 V714 L717 L768 A771 D772A665-L709 WeakPolarHBondContact CB-O 3.34Å; L709-Q713 HydrophobicContact CB-CB 4.05Å; L709-Q713 HydrophobicContact CD2-CB 3.78Å; L709-V714 HydrophobicContact CB-CG2 3.71Å; L709-V714 HydrophobicContact CD1-CG2 4.25Å; L709-L717 HydrophobicContact CD1-CD2 3.71Å; L709-L768 HydrophobicContact CD1-CD1 3.89Å; L709-A771 HydrophobicContact CD1-CB 4.12Å; L709-D772 PolarHBondContact N-OD1 3.03Å
710T96.9Very high96.5Very high46 Ų4656.2 Ų56.228%0.28229%0.294SS..  trans-75.6167162.676.30000110.8E712 Q713 V714T710-E712 WeakPolarHBondContact CB-OE2 3.31Å; T710-E712 PolarHBondContact O-N 3.08Å; T710-E712 PolarHBondContact OG1-OE2 2.91Å; T710-Q713 WeakPolarHBondContact O-CA 3.45Å; T710-Q713 WeakPolarHBondContact O-CB 3.48Å; T710-Q713 PolarHBondContact O-N 2.81Å; T710-V714 WeakPolarHBondContact O-CG2 3.29Å; T710-V714 PolarHBondContact O-N 2.95Å
711V94.1Very high96.4Very high11 Ų1156.9 Ų56.97%0.06730%0.3CS..Hα-helixtrans-56.6-40.4-179.8-170.40000111.4I452 L456 A665 Q713 V714 D715I452-V711 HydrophobicContact CD1-CG2 3.71Å; L456-V711 HydrophobicContact CD1-CG1 4.44Å; L456-V711 HydrophobicContact CD2-CG1 4.11Å; A665-V711 HydrophobicContact CB-CG2 4.07Å; V711-Q713 VanDerWaalsContact C-N 3.29Å; V711-Q713 PolarHBondContact O-N 2.82Å; V711-V714 WeakPolarHBondContact O-CB 3.46Å; V711-V714 PolarHBondContact O-N 3.42Å; V711-D715 WeakPolarHBondContact O-CB 3.46Å; V711-D715 PolarHBondContact O-N 3.24Å
712E95.4Very high96.3Very high130 Ų13052.9 Ų52.961%0.60729%0.285SS*.Hα-helixtrans-65.6-32.2178.1-5473-159.300112.2T710 A716T710-E712 WeakPolarHBondContact CB-OE2 3.31Å; T710-E712 PolarHBondContact O-N 3.08Å; T710-E712 PolarHBondContact OG1-OE2 2.91Å; E712-A716 VanDerWaalsContact O-CB 3.3Å; E712-A716 WeakPolarHBondContact O-CB 3.25Å; E712-A716 PolarHBondContact O-N 2.98Å
713Q97.7Very high96.3Very high96 Ų9652.5 Ų52.545%0.44928%0.284SS..Hα-helixtrans-79-36177.1-63.9176.8-45.600112L709 T710 V711 A716 L717L709-Q713 HydrophobicContact CB-CB 4.05Å; L709-Q713 HydrophobicContact CD2-CB 3.78Å; T710-Q713 WeakPolarHBondContact O-CA 3.45Å; T710-Q713 WeakPolarHBondContact O-CB 3.48Å; T710-Q713 PolarHBondContact O-N 2.81Å; V711-Q713 VanDerWaalsContact C-N 3.29Å; V711-Q713 PolarHBondContact O-N 2.82Å; Q713-A716 PolarHBondContact O-N 2.78Å; Q713-L717 VanDerWaalsContact O-CB 3.3Å; Q713-L717 WeakPolarHBondContact O-CB 3.5Å; Q713-L717 PolarHBondContact O-N 2.69Å
714V96.1Very high96.3Very high13 Ų1352.4 Ų52.48%0.07928%0.283CS..Hα-helixtrans-59-50.3168.1170.20000109.9A665 L709 T710 V711 A716 L717 H718 L768A665-V714 HydrophobicContact CB-CG2 4.24Å; L709-V714 HydrophobicContact CB-CG2 3.71Å; L709-V714 HydrophobicContact CD1-CG2 4.25Å; T710-V714 WeakPolarHBondContact O-CG2 3.29Å; T710-V714 PolarHBondContact O-N 2.95Å; V711-V714 WeakPolarHBondContact O-CB 3.46Å; V711-V714 PolarHBondContact O-N 3.42Å; V714-A716 VanDerWaalsContact C-N 3.29Å; V714-A716 PolarHBondContact O-N 3.31Å; V714-L717 PolarHBondContact O-N 2.72Å; V714-H718 VanDerWaalsContact CG1-CE1 3.48Å; V714-H718 WeakPolarHBondContact CG1-CE1 3.21Å; V714-H718 PolarHBondContact O-N 2.86Å; V714-H718 PolarHBondContact O-ND1 3.04Å; V714-L768 HydrophobicContact CB-CD1 4.22Å; V714-L768 HydrophobicContact CG1-CD1 3.84Å; V714-L768 HydrophobicContact CG2-CD1 3.79Å
715D93Very high96.2Very high49 Ų4955.3 Ų55.326%0.26230%0.297SS..Hα-helixtrans-58.7-37.5176.1-112.239.5000112.7V711 K719V711-D715 WeakPolarHBondContact O-CB 3.46Å; V711-D715 PolarHBondContact O-N 3.24Å; D715-K719 WeakPolarHBondContact O-CD 3.41Å; D715-K719 VanDerWaalsContact O-CE 3.25Å; D715-K719 WeakPolarHBondContact O-CE 3.38Å; D715-K719 WeakPolarHBondContact O-CG 3.39Å; D715-K719 PolarHBondContact O-N 3.47Å; D715-K719 PolarHBondContact O-NZ 3.14Å; D715-K719 IonicContact OD2-NZ 3.88Å; D715-K719 PolarHBondContact OD2-NZ 3.04Å
716A96.8Very high96.1Very high49 Ų4959.3 Ų59.341%0.40532%0.316SS..Hα-helixtrans-73.4-42177.500000112.1E712 Q713 V714 K719 V720E712-A716 VanDerWaalsContact O-CB 3.3Å; E712-A716 WeakPolarHBondContact O-CB 3.25Å; E712-A716 PolarHBondContact O-N 2.98Å; Q713-A716 PolarHBondContact O-N 2.78Å; V714-A716 VanDerWaalsContact C-N 3.29Å; V714-A716 PolarHBondContact O-N 3.31Å; A716-K719 PolarHBondContact O-N 2.9Å; A716-K719 VanDerWaalsContact O-N 3.16Å; A716-V720 WeakPolarHBondContact O-CG2 3.07Å; A716-V720 PolarHBondContact O-N 3.01Å; A716-V720 VanDerWaalsContact O-N 3.07Å
717L96.5Very high96.1Very high25 Ų2561.2 Ų61.213%0.13132%0.321CS..Hα-helixtrans-62.3-46179-176.758.9000111.2L709 Q713 V714 K719 V720 G721 Y722 L768 A771L709-L717 HydrophobicContact CD1-CD2 3.71Å; Q713-L717 VanDerWaalsContact O-CB 3.3Å; Q713-L717 WeakPolarHBondContact O-CB 3.5Å; Q713-L717 PolarHBondContact O-N 2.69Å; V714-L717 PolarHBondContact O-N 2.72Å; L717-K719 VanDerWaalsContact C-N 3.27Å; L717-K719 PolarHBondContact O-N 3.2Å; L717-V720 PolarHBondContact O-N 3.15Å; L717-G721 CarbonylContact O-C 3.56Å; L717-G721 PolarHBondContact O-N 2.71Å; L717-Y722 HydrophobicContact CD1-CD2 4.12Å; L717-Y722 HydrophobicContact CD2-CD2 3.79Å; L717-Y722 HydrophobicContact CD2-CE2 4.19Å; L717-Y722 HydrophobicContact CD2-CG 4.32Å; L717-Y722 HydrophobicContact CG-CD2 4.05Å; L717-Y722 HydrophobicContact CG-CG 4.36Å; L717-L768 HydrophobicContact CD2-CD1 4.38Å; L717-L768 HydrophobicContact CD2-CD2 4.21Å; L717-A771 HydrophobicContact CD2-CB 4.27Å
718H93.7Very high96.1Very high101 Ų10160.9 Ų60.947%0.46832%0.319SS..Hα-helixtrans-62.5-30.1174.6-65.9148.2000113.5V714V714-H718 VanDerWaalsContact CG1-CE1 3.48Å; V714-H718 WeakPolarHBondContact CG1-CE1 3.21Å; V714-H718 PolarHBondContact O-N 2.86Å; V714-H718 PolarHBondContact O-ND1 3.04Å
719K94.3Very high96.1Very high153 Ų15366.1 Ų66.167%0.66534%0.337SS*.Hα-helixtrans-77.9-28.2178-73162.8-161.6148.10113.5D715 A716 L717D715-K719 WeakPolarHBondContact O-CD 3.41Å; D715-K719 VanDerWaalsContact O-CE 3.25Å; D715-K719 WeakPolarHBondContact O-CE 3.38Å; D715-K719 WeakPolarHBondContact O-CG 3.39Å; D715-K719 PolarHBondContact O-N 3.47Å; D715-K719 PolarHBondContact O-NZ 3.14Å; D715-K719 IonicContact OD2-NZ 3.88Å; D715-K719 PolarHBondContact OD2-NZ 3.04Å; A716-K719 PolarHBondContact O-N 2.9Å; A716-K719 VanDerWaalsContact O-N 3.16Å; L717-K719 VanDerWaalsContact C-N 3.27Å; L717-K719 PolarHBondContact O-N 3.2Å
720V94.7Very high96.1Very high130 Ų13070.4 Ų70.479%0.78835%0.354SS*.Hα-helixtrans-84-29.4175.1175.70000111.5A716 L717A716-V720 WeakPolarHBondContact O-CG2 3.07Å; A716-V720 PolarHBondContact O-N 3.01Å; A716-V720 VanDerWaalsContact O-N 3.07Å; L717-V720 PolarHBondContact O-N 3.15Å
721G93.3Very high96.1Very high33 Ų3371.3 Ų71.334%0.3436%0.355SS..  trans106132.8-173.600000110.7L717L717-G721 CarbonylContact O-C 3.56Å; L717-G721 PolarHBondContact O-N 2.71Å
722Y96Very high96.3Very high36 Ų3675.5 Ų75.514%0.14138%0.383CS..  trans-113.3131.9-177.2177.8-128.2000110.6L717 P724 Y727 D765 L768 A771L717-Y722 HydrophobicContact CD1-CD2 4.12Å; L717-Y722 HydrophobicContact CD2-CD2 3.79Å; L717-Y722 HydrophobicContact CD2-CE2 4.19Å; L717-Y722 HydrophobicContact CD2-CG 4.32Å; L717-Y722 HydrophobicContact CG-CD2 4.05Å; L717-Y722 HydrophobicContact CG-CG 4.36Å; Y722-P724 HydrophobicContact CD1-CG 4.19Å; Y722-P724 HydrophobicContact CE1-CB 4.41Å; Y722-P724 HydrophobicContact CE1-CG 3.72Å; Y722-Y727 HydrophobicContact CD2-CD2 4.42Å; Y722-Y727 AromaticContact CD2-CE2 3.85Å; Y722-Y727 HydrophobicContact CD2-CE2 3.85Å; Y722-Y727 AromaticContact CE2-CD2 3.7Å; Y722-Y727 HydrophobicContact CE2-CD2 3.7Å; Y722-Y727 AromaticContact CE2-CE2 3.47Å; Y722-Y727 HydrophobicContact CE2-CE2 3.47Å; Y722-Y727 VanDerWaalsContact CE2-CE2 3.47Å; Y722-D765 HydrophobicContact CE1-CB 3.91Å; Y722-D765 PolarHBondContact OH-OD2 2.98Å; Y722-L768 HydrophobicContact CD1-CD2 3.49Å; Y722-L768 VanDerWaalsContact CD1-CD2 3.49Å; Y722-L768 HydrophobicContact CD2-CD2 4.42Å; Y722-L768 HydrophobicContact CE1-CD2 3.3Å; Y722-L768 HydrophobicContact CE2-CD2 4.29Å; Y722-L768 HydrophobicContact CG-CD2 4.05Å; Y722-A771 HydrophobicContact CE2-CB 3.88Å; Y722-A771 PolarHBondContact OH-N 2.75Å; Y722-A771 VanDerWaalsContact OH-N 3.13Å
723H96Very high96.5Very high116 Ų11672.4 Ų72.454%0.53737%0.368SS..  trans-127.7102.1177.5-56.7121.3000109.3Q725 E726H723-Q725 VanDerWaalsContact C-N 3.25Å; H723-Q725 PolarHBondContact O-N 3.44Å; H723-E726 HydrophobicContact CB-CG 4.22Å; H723-E726 IonicContact ND1-OE1 3.98Å; H723-E726 WeakPolarHBondContact O-CB 3.36Å; H723-E726 PolarHBondContact O-N 3.07Å; H723-E726 VanDerWaalsContact O-N 3.1Å
724P97.8Very high96.5Very high7 Ų767.9 Ų67.95%0.04535%0.347CS..Hα-helixtrans-59.4-35-173.8-24.432.9000113.4Y722 E726 Y727 I728 L761 D765Y722-P724 HydrophobicContact CD1-CG 4.19Å; Y722-P724 HydrophobicContact CE1-CB 4.41Å; Y722-P724 HydrophobicContact CE1-CG 3.72Å; P724-E726 PolarHBondContact O-N 2.95Å; P724-Y727 PolarHBondContact O-N 3.48Å; P724-I728 HydrophobicContact CB-CD1 4.46Å; P724-I728 WeakPolarHBondContact O-CG1 3.49Å; P724-I728 PolarHBondContact O-N 3.2Å; P724-I728 VanDerWaalsContact O-N 3.1Å; P724-L761 WeakPolarHBondContact CB-O 3.26Å; P724-D765 HydrophobicContact CB-CB 4.06Å; P724-D765 HydrophobicContact CG-CB 3.74Å
725Q97.2Very high96.7Very high63 Ų6371.2 Ų71.229%0.29436%0.36SS..Hα-helixtrans-52.9-39.1176.2-69.7-57.4-56.400113.1H723 Y727 I728 E729 A762H723-Q725 VanDerWaalsContact C-N 3.25Å; H723-Q725 PolarHBondContact O-N 3.44Å; Q725-Y727 PolarHBondContact O-N 3.14Å; Q725-I728 PolarHBondContact O-N 3Å; Q725-E729 WeakPolarHBondContact O-CB 3.45Å; Q725-E729 WeakPolarHBondContact O-CG 3.18Å; Q725-E729 PolarHBondContact O-N 3.49Å; Q725-A762 PolarHBondContact NE2-O 3.23Å
726E96.5Very high96.9Very high88 Ų8872.6 Ų72.641%0.41137%0.367SS..Hα-helixtrans-59.9-33.2178.6-81-164.2-125.300112.8H723 P724 K730H723-E726 HydrophobicContact CB-CG 4.22Å; H723-E726 IonicContact ND1-OE1 3.98Å; H723-E726 WeakPolarHBondContact O-CB 3.36Å; H723-E726 PolarHBondContact O-N 3.07Å; H723-E726 VanDerWaalsContact O-N 3.1Å; P724-E726 PolarHBondContact O-N 2.95Å; E726-K730 WeakPolarHBondContact O-CB 3.47Å; E726-K730 WeakPolarHBondContact O-CD 3.43Å; E726-K730 WeakPolarHBondContact O-CE 3.27Å; E726-K730 WeakPolarHBondContact O-CG 3.49Å; E726-K730 PolarHBondContact O-N 3.36Å; E726-K730 IonicContact OE2-NZ 3.38Å; E726-K730 PolarHBondContact OE2-NZ 3.35Å
727Y98.1Very high97Very high66 Ų6670.2 Ų70.226%0.25935%0.348SS..Hα-helixtrans-82.5-37.5179.6-67.3-102000110.7Y722 P724 Q725 E729 K730 E731 A771Y722-Y727 HydrophobicContact CD2-CD2 4.42Å; Y722-Y727 AromaticContact CD2-CE2 3.85Å; Y722-Y727 HydrophobicContact CD2-CE2 3.85Å; Y722-Y727 AromaticContact CE2-CD2 3.7Å; Y722-Y727 HydrophobicContact CE2-CD2 3.7Å; Y722-Y727 AromaticContact CE2-CE2 3.47Å; Y722-Y727 HydrophobicContact CE2-CE2 3.47Å; Y722-Y727 VanDerWaalsContact CE2-CE2 3.47Å; P724-Y727 PolarHBondContact O-N 3.48Å; Q725-Y727 PolarHBondContact O-N 3.14Å; Y727-E729 VanDerWaalsContact C-N 3.34Å; Y727-E729 PolarHBondContact O-N 2.96Å; Y727-K730 PolarHBondContact O-N 3.38Å; Y727-E731 WeakPolarHBondContact O-CB 3.47Å; Y727-E731 PolarHBondContact O-N 3.48Å; Y727-E731 VanDerWaalsContact O-N 3.1Å; Y727-A771 HydrophobicContact CD1-CB 4.3Å; Y727-A771 HydrophobicContact CE1-CB 4.02Å
728I98.6Very high97.1Very high6 Ų669.1 Ų69.13%0.03134%0.342CS..Hα-helixtrans-62.8-39.3174.4-61165.4000111.1P724 Q725 L734 K735 L738 C770P724-I728 HydrophobicContact CB-CD1 4.46Å; P724-I728 WeakPolarHBondContact O-CG1 3.49Å; P724-I728 PolarHBondContact O-N 3.2Å; P724-I728 VanDerWaalsContact O-N 3.1Å; Q725-I728 PolarHBondContact O-N 3Å; I728-L734 HydrophobicContact CG1-CD2 4Å; I728-L734 HydrophobicContact CG1-CG 4.34Å; I728-K735 HydrophobicContact CG2-CB 4Å; I728-K735 HydrophobicContact CG2-CG 4.12Å; I728-L738 HydrophobicContact CB-CD1 4.47Å; I728-L738 HydrophobicContact CD1-CD1 3.51Å; I728-L738 HydrophobicContact CG1-CD1 3.6Å; I728-L738 HydrophobicContact CG2-CD1 4.03Å; I728-C770 HydrophobicContact CG1-CB 4.34Å
729E97.6Very high97.4Very high136 Ų13667.2 Ų67.264%0.63633%0.333SS*.Hα-helixtrans-72.8-29.8176.9-71.5-173.8155.900113.4Q725 Y727Q725-E729 WeakPolarHBondContact O-CB 3.45Å; Q725-E729 WeakPolarHBondContact O-CG 3.18Å; Q725-E729 PolarHBondContact O-N 3.49Å; Y727-E729 VanDerWaalsContact C-N 3.34Å; Y727-E729 PolarHBondContact O-N 2.96Å
730K97.3Very high97.6Very high124 Ų12461 Ų6154%0.53931%0.307SS..Hα-helixtrans-77.8-22.1176.9-70.5162.9-156.2163.80112.9E726 Y727 P732E726-K730 WeakPolarHBondContact O-CB 3.47Å; E726-K730 WeakPolarHBondContact O-CD 3.43Å; E726-K730 WeakPolarHBondContact O-CE 3.27Å; E726-K730 WeakPolarHBondContact O-CG 3.49Å; E726-K730 PolarHBondContact O-N 3.36Å; E726-K730 IonicContact OE2-NZ 3.38Å; E726-K730 PolarHBondContact OE2-NZ 3.35Å; Y727-K730 PolarHBondContact O-N 3.38Å; K730-P732 WeakPolarHBondContact O-CD 3.31Å
731E98.3Very high97.8Very high65 Ų6554.9 Ų54.930%0.30427%0.27SS..  trans-119.390.5-174-66.6-63.9157.300112.4Y727 E733 L734 K735 Y773 A774Y727-E731 WeakPolarHBondContact O-CB 3.47Å; Y727-E731 PolarHBondContact O-N 3.48Å; Y727-E731 VanDerWaalsContact O-N 3.1Å; E731-E733 VanDerWaalsContact C-N 3.25Å; E731-E733 PolarHBondContact O-N 3.07Å; E731-E733 VanDerWaalsContact O-N 3.15Å; E731-L734 HydrophobicContact CB-CB 3.8Å; E731-L734 HydrophobicContact CB-CD2 4.45Å; E731-L734 WeakPolarHBondContact O-CB 3.1Å; E731-L734 PolarHBondContact O-N 2.95Å; E731-L734 VanDerWaalsContact O-N 3.07Å; E731-K735 PolarHBondContact O-N 3.45Å; E731-Y773 HydrophobicContact CB-CD1 4.35Å; E731-Y773 HydrophobicContact CB-CE1 4.43Å; E731-Y773 HydrophobicContact CG-CD1 4.39Å; E731-A774 HydrophobicContact CG-CB 4.1Å; E731-A774 WeakPolarHBondContact OE1-CB 3.3Å
732P98.3Very high98Very high99 Ų9956.2 Ų56.264%0.64326%0.264SS*.Hα-helixtrans-58.6-30.2-175.6-27.535.8000115.1K730 L736K730-P732 WeakPolarHBondContact O-CD 3.31Å; P732-L736 WeakPolarHBondContact O-CB 3.39Å; P732-L736 PolarHBondContact O-N 2.97Å
733E98.6Very high98Very high66 Ų6659 Ų5931%0.30828%0.282SS..Hα-helixtrans-72.5-39.8176.2-66.5-170.2104.800112T581 R585 E731 K735 L736 C737 Y773T581-E733 HydrophobicContact CG2-CB 4.2Å; R585-E733 VanDerWaalsContact CG-OE1 3.26Å; R585-E733 WeakPolarHBondContact CG-OE1 3.31Å; R585-E733 IonicContact CZ-OE1 2.94Å; R585-E733 IonicContact CZ-OE2 3.72Å; R585-E733 IonicContact NE-OE1 2.64Å; R585-E733 PolarHBondContact NE-OE1 2.97Å; R585-E733 IonicContact NE-OE2 3.27Å; R585-E733 PolarHBondContact NE-OE2 3.43Å; R585-E733 IonicContact NH2-OE1 2.83Å; R585-E733 IonicContact NH2-OE2 3.71Å; R585-E733 PolarHBondContact NH2-OE2 3.43Å; E731-E733 VanDerWaalsContact C-N 3.25Å; E731-E733 PolarHBondContact O-N 3.07Å; E731-E733 VanDerWaalsContact O-N 3.15Å; E733-K735 VanDerWaalsContact C-N 3.34Å; E733-L736 PolarHBondContact O-N 3.31Å; E733-C737 PolarHBondContact O-N 3.06Å; E733-C737 PolarHBondContact O-SG 3.49Å; E733-Y773 WeakPolarHBondContact CB-OH 3.35Å
734L98.8Very high98.1Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-60.2-47171.6175.157.8000110.3L577 I728 E731 L736 C737 L738 C770 Y773L577-L734 HydrophobicContact CD1-CD1 4.09Å; I728-L734 HydrophobicContact CG1-CD2 4Å; I728-L734 HydrophobicContact CG1-CG 4.34Å; E731-L734 HydrophobicContact CB-CB 3.8Å; E731-L734 HydrophobicContact CB-CD2 4.45Å; E731-L734 WeakPolarHBondContact O-CB 3.1Å; E731-L734 PolarHBondContact O-N 2.95Å; E731-L734 VanDerWaalsContact O-N 3.07Å; L734-L736 PolarHBondContact O-N 3.36Å; L734-C737 WeakPolarHBondContact O-CB 3.03Å; L734-C737 PolarHBondContact O-N 3.49Å; L734-L738 HydrophobicContact CD1-CD1 3.95Å; L734-L738 HydrophobicContact CD1-CG 4.04Å; L734-L738 HydrophobicContact CG-CD1 4.05Å; L734-L738 HydrophobicContact CG-CG 4.48Å; L734-L738 WeakPolarHBondContact O-CG 3.48Å; L734-L738 PolarHBondContact O-N 3.22Å; L734-C770 HydrophobicContact CD2-CB 3.91Å; L734-Y773 HydrophobicContact CB-CD1 3.71Å; L734-Y773 HydrophobicContact CB-CD2 4.38Å; L734-Y773 HydrophobicContact CB-CE1 3.6Å; L734-Y773 HydrophobicContact CB-CE2 4.27Å; L734-Y773 HydrophobicContact CB-CG 4.11Å; L734-Y773 HydrophobicContact CD1-CD2 3.87Å; L734-Y773 HydrophobicContact CD1-CE2 4.17Å; L734-Y773 HydrophobicContact CD1-CG 4.06Å; L734-Y773 HydrophobicContact CD2-CD1 4.25Å; L734-Y773 HydrophobicContact CD2-CG 4.17Å; L734-Y773 HydrophobicContact CG-CD1 4.38Å; L734-Y773 HydrophobicContact CG-CG 4.34Å; L734-Y773 PolarHBondContact N-OH 2.86Å
735K98.8Very high98.1Very high83 Ų8357.8 Ų57.836%0.36128%0.275SS..Hα-helixtrans-55.3-52.7176.5-171.9168.1-179166.90111.2I728 E731 E733 C737 L738 E739I728-K735 HydrophobicContact CG2-CB 4Å; I728-K735 HydrophobicContact CG2-CG 4.12Å; E731-K735 PolarHBondContact O-N 3.45Å; E733-K735 VanDerWaalsContact C-N 3.34Å; K735-C737 VanDerWaalsContact C-N 3.3Å; K735-C737 PolarHBondContact O-N 2.78Å; K735-L738 PolarHBondContact O-N 2.96Å; K735-L738 VanDerWaalsContact O-N 3.1Å; K735-E739 HydrophobicContact CG-CG 4.19Å; K735-E739 VanDerWaalsContact O-CG 3.27Å; K735-E739 WeakPolarHBondContact O-CG 3.45Å; K735-E739 PolarHBondContact O-N 3.01Å
736L98.8Very high98.2Very high78 Ų7855 Ų5541%0.40826%0.262SS..Hα-helixtrans-57.1-41.1178.1179.661.1000112.7N584 P732 E733 L734 E739 Q740N584-L736 HydrophobicContact CB-CD2 4.13Å; P732-L736 WeakPolarHBondContact O-CB 3.39Å; P732-L736 PolarHBondContact O-N 2.97Å; E733-L736 PolarHBondContact O-N 3.31Å; L734-L736 PolarHBondContact O-N 3.36Å; L736-E739 PolarHBondContact O-N 3.2Å; L736-Q740 HydrophobicContact CD1-CG 4.35Å; L736-Q740 WeakPolarHBondContact O-CB 3.09Å; L736-Q740 VanDerWaalsContact O-CG 3.3Å; L736-Q740 WeakPolarHBondContact O-CG 3.49Å; L736-Q740 PolarHBondContact O-N 3.36Å
737C98.8Very high98.2Very high0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-61.7-45.4175.9-63.20000111.9L577 I580 T581 E733 L734 K735 Q740 I741L577-C737 HydrophobicContact CD2-CB 3.7Å; I580-C737 HydrophobicContact CB-CB 4.36Å; I580-C737 HydrophobicContact CG2-CB 3.9Å; I580-C737 VanDerWaalsContact CG2-SG 3.53Å; T581-C737 PolarHBondContact OG1-SG 3.43Å; T581-C737 VanDerWaalsContact OG1-SG 3.41Å; E733-C737 PolarHBondContact O-N 3.06Å; E733-C737 PolarHBondContact O-SG 3.49Å; L734-C737 WeakPolarHBondContact O-CB 3.03Å; L734-C737 PolarHBondContact O-N 3.49Å; K735-C737 VanDerWaalsContact C-N 3.3Å; K735-C737 PolarHBondContact O-N 2.78Å; C737-Q740 PolarHBondContact O-N 3.38Å; C737-I741 WeakPolarHBondContact O-CD1 3.34Å; C737-I741 VanDerWaalsContact O-CG1 3.28Å; C737-I741 WeakPolarHBondContact O-CG1 3.08Å; C737-I741 PolarHBondContact O-N 3.22Å; C737-I741 VanDerWaalsContact O-N 3.13Å
738L98.7Very high98Very high1 Ų153 Ų531%0.00527%0.265CS..Hα-helixtrans-68.8-37179.7-68.1178.1000112.3L577 I728 L734 K735 I741 R742 Y758 L761L577-L738 HydrophobicContact CD2-CD2 4.13Å; I728-L738 HydrophobicContact CB-CD1 4.47Å; I728-L738 HydrophobicContact CD1-CD1 3.51Å; I728-L738 HydrophobicContact CG1-CD1 3.6Å; I728-L738 HydrophobicContact CG2-CD1 4.03Å; L734-L738 HydrophobicContact CD1-CD1 3.95Å; L734-L738 HydrophobicContact CD1-CG 4.04Å; L734-L738 HydrophobicContact CG-CD1 4.05Å; L734-L738 HydrophobicContact CG-CG 4.48Å; L734-L738 WeakPolarHBondContact O-CG 3.48Å; L734-L738 PolarHBondContact O-N 3.22Å; K735-L738 PolarHBondContact O-N 2.96Å; K735-L738 VanDerWaalsContact O-N 3.1Å; L738-I741 PolarHBondContact O-N 2.85Å; L738-R742 VanDerWaalsContact O-CB 3.31Å; L738-R742 WeakPolarHBondContact O-CB 3.4Å; L738-R742 PolarHBondContact O-N 3.35Å; L738-Y758 HydrophobicContact CB-CD2 3.98Å; L738-Y758 HydrophobicContact CB-CE2 4.05Å; L738-Y758 WeakPolarHBondContact O-CD2 3.45Å; L738-L761 HydrophobicContact CD2-CB 4.16Å; L738-L761 HydrophobicContact CD2-CD1 3.68Å
739E98.5Very high97.9Very high61 Ų6161.2 Ų61.229%0.28530%0.303SS..Hα-helixtrans-66.8-41.7175.7-65.3-168.1130.900111.5K735 L736 I741 R742 D743K735-E739 HydrophobicContact CG-CG 4.19Å; K735-E739 VanDerWaalsContact O-CG 3.27Å; K735-E739 WeakPolarHBondContact O-CG 3.45Å; K735-E739 PolarHBondContact O-N 3.01Å; L736-E739 PolarHBondContact O-N 3.2Å; E739-I741 VanDerWaalsContact C-N 3.29Å; E739-I741 PolarHBondContact O-N 3.21Å; E739-R742 PolarHBondContact O-N 3.22Å; E739-R742 IonicContact OE1-CZ 3.08Å; E739-R742 IonicContact OE1-NH1 3.91Å; E739-R742 PolarHBondContact OE1-NH1 3.29Å; E739-R742 IonicContact OE1-NH2 3.62Å; E739-R742 PolarHBondContact OE1-NH2 3.48Å; E739-D743 VanDerWaalsContact O-CB 3.32Å; E739-D743 WeakPolarHBondContact O-CB 3.42Å; E739-D743 PolarHBondContact O-N 2.78Å
740Q98.7Very high97.8Very high24 Ų2458.6 Ų58.611%0.11229%0.294CS..Hα-helixtrans-60.6-35.8172-75172.9-27.300113.2N584 L736 C737 G744 F745 F746N584-Q740 PolarHBondContact ND2-OE1 3.14Å; N584-Q740 PolarHBondContact OD1-NE2 3.44Å; N584-Q740 PolarHBondContact OD1-OE1 2.88Å; L736-Q740 HydrophobicContact CD1-CG 4.35Å; L736-Q740 WeakPolarHBondContact O-CB 3.09Å; L736-Q740 VanDerWaalsContact O-CG 3.3Å; L736-Q740 WeakPolarHBondContact O-CG 3.49Å; L736-Q740 PolarHBondContact O-N 3.36Å; C737-Q740 PolarHBondContact O-N 3.38Å; Q740-G744 PolarHBondContact O-N 3.1Å; Q740-F745 HydrophobicContact CB-CB 3.87Å; Q740-F745 HydrophobicContact CB-CD1 4.4Å; Q740-F745 HydrophobicContact CB-CG 4.28Å; Q740-F745 HydrophobicContact CG-CB 4.16Å; Q740-F745 HydrophobicContact CG-CD1 4.33Å; Q740-F745 HydrophobicContact CG-CG 4.14Å; Q740-F745 VanDerWaalsContact O-CB 3.26Å; Q740-F745 WeakPolarHBondContact O-CB 3.2Å; Q740-F745 PolarHBondContact O-N 3.42Å; Q740-F746 HydrophobicContact CB-CD2 4.48Å; Q740-F746 HydrophobicContact CB-CE2 3.69Å; Q740-F746 HydrophobicContact CB-CZ 4.26Å
741I98.6Very high97.7Very high1 Ų155.3 Ų55.31%0.00529%0.285CS..Hα-helixtrans-70.2-47.1174.6-68.5166.1000110.8L577 I580 L618 C737 L738 E739 F746 F754 I757L577-I741 HydrophobicContact CD2-CD1 3.76Å; I580-I741 HydrophobicContact CD1-CD1 3.93Å; I580-I741 HydrophobicContact CD1-CG1 4.17Å; L618-I741 HydrophobicContact CD1-CG1 4.29Å; L618-I741 HydrophobicContact CD2-CD1 3.99Å; L618-I741 HydrophobicContact CD2-CG1 4.25Å; L618-I741 HydrophobicContact CD2-CG2 4.43Å; C737-I741 WeakPolarHBondContact O-CD1 3.34Å; C737-I741 VanDerWaalsContact O-CG1 3.28Å; C737-I741 WeakPolarHBondContact O-CG1 3.08Å; C737-I741 PolarHBondContact O-N 3.22Å; C737-I741 VanDerWaalsContact O-N 3.13Å; L738-I741 PolarHBondContact O-N 2.85Å; E739-I741 VanDerWaalsContact C-N 3.29Å; E739-I741 PolarHBondContact O-N 3.21Å; I741-F746 HydrophobicContact CG1-CD2 4.21Å; I741-F746 HydrophobicContact CG1-CE2 4.23Å; I741-F754 HydrophobicContact CG2-CB 3.62Å; I741-I757 HydrophobicContact CG2-CB 4.4Å; I741-I757 HydrophobicContact CG2-CG2 4.14Å
742R97.6Very high97.6Very high60 Ų6057.7 Ų57.723%0.22630%0.296CS..Hα-helixtrans-61.4-43.7-179.3-174.8-17267.9-149.6-7.2113.3L738 E739 Y758L738-R742 VanDerWaalsContact O-CB 3.31Å; L738-R742 WeakPolarHBondContact O-CB 3.4Å; L738-R742 PolarHBondContact O-N 3.35Å; E739-R742 PolarHBondContact O-N 3.22Å; E739-R742 IonicContact OE1-CZ 3.08Å; E739-R742 IonicContact OE1-NH1 3.91Å; E739-R742 PolarHBondContact OE1-NH1 3.29Å; E739-R742 IonicContact OE1-NH2 3.62Å; E739-R742 PolarHBondContact OE1-NH2 3.48Å; R742-Y758 HydrophobicContact CB-CD1 4.34Å; R742-Y758 HydrophobicContact CB-CD2 3.62Å; R742-Y758 HydrophobicContact CB-CE2 4.12Å; R742-Y758 HydrophobicContact CB-CG 3.72Å; R742-Y758 HydrophobicContact CG-CD1 3.94Å; R742-Y758 HydrophobicContact CG-CD2 4.06Å; R742-Y758 HydrophobicContact CG-CE1 4.22Å; R742-Y758 HydrophobicContact CG-CE2 4.29Å; R742-Y758 HydrophobicContact CG-CG 3.85Å
743D97.3Very high97.6Very high95 Ų9554.5 Ų54.551%0.50827%0.273SS..THydrogen-bonded Turntrans-96.36.9-169-58.2-24.2000112.4E739E739-D743 VanDerWaalsContact O-CB 3.32Å; E739-D743 WeakPolarHBondContact O-CB 3.42Å; E739-D743 PolarHBondContact O-N 2.78Å
744G96.9Very high97.6Very high3 Ų351.4 Ų51.43%0.03126%0.259CS..THydrogen-bonded Turntrans86.317.2166.700000116.1Q740 F746 S747 P748Q740-G744 PolarHBondContact O-N 3.1Å; G744-F746 PolarHBondContact O-N 2.8Å; G744-F746 VanDerWaalsContact O-N 3.17Å; G744-S747 CarbonylContact O-C 3.55Å; G744-S747 PolarHBondContact O-N 3.24Å; G744-P748 VanDerWaalsContact O-N 3.13Å
745F98.1Very high97.5Very high94 Ų9454.9 Ų54.941%0.41227%0.274SS..THydrogen-bonded Turntrans-56.4-34.5-178.6-174.6-96.3000112.8Y583 V625 Q740Y583-F745 AromaticContact CE1-CE1 3.83Å; Y583-F745 HydrophobicContact CE1-CE1 3.83Å; Y583-F745 HydrophobicContact CE1-CZ 4.1Å; V625-F745 HydrophobicContact CG1-CE1 4.19Å; Q740-F745 HydrophobicContact CB-CB 3.87Å; Q740-F745 HydrophobicContact CB-CD1 4.4Å; Q740-F745 HydrophobicContact CB-CG 4.28Å; Q740-F745 HydrophobicContact CG-CB 4.16Å; Q740-F745 HydrophobicContact CG-CD1 4.33Å; Q740-F745 HydrophobicContact CG-CG 4.14Å; Q740-F745 VanDerWaalsContact O-CB 3.26Å; Q740-F745 WeakPolarHBondContact O-CB 3.2Å; Q740-F745 PolarHBondContact O-N 3.42Å
746F98.3Very high97.5Very high6 Ų654.7 Ų54.73%0.02628%0.277CS..THydrogen-bonded Turntrans-92.73.4176.9-53.2-70.6000114.1I580 L618 S621 V622 V625 Q740 I741 G744 F754I580-F746 HydrophobicContact CB-CZ 4.36Å; I580-F746 HydrophobicContact CD1-CE2 3.74Å; I580-F746 HydrophobicContact CD1-CZ 3.97Å; I580-F746 HydrophobicContact CG1-CE1 4.42Å; I580-F746 HydrophobicContact CG1-CE2 4.03Å; I580-F746 HydrophobicContact CG1-CZ 3.7Å; I580-F746 HydrophobicContact CG2-CE2 4.2Å; I580-F746 HydrophobicContact CG2-CZ 3.76Å; L618-F746 HydrophobicContact CD1-CB 4.36Å; L618-F746 HydrophobicContact CD1-CD2 4.37Å; S621-F746 WeakPolarHBondContact CB-O 3.42Å; S621-F746 PolarHBondContact OG-O 3.41Å; V622-F746 HydrophobicContact CB-CD1 4.19Å; V622-F746 HydrophobicContact CB-CE1 4.4Å; V622-F746 HydrophobicContact CG1-CE1 4.23Å; V622-F746 HydrophobicContact CG2-CB 4.32Å; V622-F746 HydrophobicContact CG2-CD1 3.7Å; V622-F746 HydrophobicContact CG2-CD2 4.01Å; V622-F746 HydrophobicContact CG2-CE1 3.97Å; V622-F746 HydrophobicContact CG2-CE2 4.26Å; V622-F746 HydrophobicContact CG2-CG 3.73Å; V622-F746 HydrophobicContact CG2-CZ 4.26Å; V625-F746 HydrophobicContact CB-CD1 4.19Å; V625-F746 HydrophobicContact CB-CE1 4.48Å; V625-F746 HydrophobicContact CG2-CD1 3.94Å; Q740-F746 HydrophobicContact CB-CD2 4.48Å; Q740-F746 HydrophobicContact CB-CE2 3.69Å; Q740-F746 HydrophobicContact CB-CZ 4.26Å; I741-F746 HydrophobicContact CG1-CD2 4.21Å; I741-F746 HydrophobicContact CG1-CE2 4.23Å; G744-F746 PolarHBondContact O-N 2.8Å; G744-F746 VanDerWaalsContact O-N 3.17Å; F746-F754 HydrophobicContact CB-CE2 4.32Å
747S97Very high97.5Very high12 Ų1251 Ų518%0.08426%0.257CS..  trans-15260.8177.759.30000112G744 E749 N750G744-S747 CarbonylContact O-C 3.55Å; G744-S747 PolarHBondContact O-N 3.24Å; S747-E749 PolarHBondContact O-N 3.26Å; S747-E749 VanDerWaalsContact O-N 3.09Å; S747-N750 CarbonylContact O-C 2.89Å; S747-N750 WeakPolarHBondContact O-CA 3.4Å; S747-N750 PolarHBondContact O-N 3.21Å; S747-N750 PolarHBondContact OG-O 3.03Å
748P95.1Very high97.4Very high98 Ų9852.4 Ų52.464%0.63626%0.263SS*.THydrogen-bonded Turntrans-61.7-24-172.824-35000114.3G744 P751G744-P748 VanDerWaalsContact O-N 3.13Å; P748-P751 WeakPolarHBondContact O-CG 3.41Å
749E94.8Very high97.4Very high179 Ų17955.6 Ų55.684%0.83628%0.28SS*.THydrogen-bonded Turntrans-80.9-14.4175.4-62.2176.9-105.200113.2S747S747-E749 PolarHBondContact O-N 3.26Å; S747-E749 VanDerWaalsContact O-N 3.09Å
750N95.9Very high97.4Very high82 Ų8253.8 Ų53.844%0.43927%0.274SS..SBendtrans-143.282.2166.2-178.6-10000109.2S747 H752 L753S747-N750 CarbonylContact O-C 2.89Å; S747-N750 WeakPolarHBondContact O-CA 3.4Å; S747-N750 PolarHBondContact O-N 3.21Å; S747-N750 PolarHBondContact OG-O 3.03Å; N750-H752 PolarHBondContact O-N 3.48Å; N750-H752 PolarHBondContact OD1-N 3.12Å; N750-L753 HydrophobicContact CB-CB 4.3Å; N750-L753 WeakPolarHBondContact O-CB 3.49Å; N750-L753 PolarHBondContact O-N 3.12Å; N750-L753 PolarHBondContact OD1-N 3.46Å
751P95.6Very high97.3Very high54 Ų5452.9 Ų52.935%0.35127%0.27SS..THydrogen-bonded Turntrans-67.85.9-174.1-23.635.4000115.4P748P748-P751 WeakPolarHBondContact O-CG 3.41Å
752H96.8Very high97.3Very high115 Ų11552.9 Ų52.953%0.53227%0.27SS..THydrogen-bonded Turntrans-117.9-5.8-178.8-67.42.2000112.7N750 F754 K755N750-H752 PolarHBondContact O-N 3.48Å; N750-H752 PolarHBondContact OD1-N 3.12Å; H752-F754 VanDerWaalsContact C-N 3.28Å; H752-F754 PolarHBondContact O-N 3.28Å; H752-K755 HydrophobicContact CB-CD 3.94Å; H752-K755 HydrophobicContact CB-CG 4.49Å; H752-K755 PolarHBondContact CD2-NZ 2.86Å; H752-K755 PolarHBondContact CE1-NZ 2.72Å; H752-K755 WeakPolarHBondContact ND1-CE 3.38Å; H752-K755 PolarHBondContact ND1-NZ 3.34Å; H752-K755 VanDerWaalsContact ND1-NZ 3.19Å; H752-K755 PolarHBondContact NE2-NZ 2.87Å; H752-K755 VanDerWaalsContact NE2-NZ 3.13Å; H752-K755 WeakPolarHBondContact O-CB 3.4Å; H752-K755 PolarHBondContact O-N 2.89Å; H752-K755 VanDerWaalsContact O-N 3.12Å
753L98Very high97.2Very high32 Ų3256.6 Ų56.617%0.16829%0.288CS..THydrogen-bonded Turntrans-52.6-40.4-176.217758.8000113.9W172 L614 K617 N750W172-L753 HydrophobicContact CH2-CD1 3.97Å; W172-L753 HydrophobicContact CZ2-CD1 3.65Å; L614-L753 HydrophobicContact CD1-CD1 3.89Å; L614-L753 HydrophobicContact CD1-CG 4.23Å; K617-L753 HydrophobicContact CG-CD2 4.08Å; N750-L753 HydrophobicContact CB-CB 4.3Å; N750-L753 WeakPolarHBondContact O-CB 3.49Å; N750-L753 PolarHBondContact O-N 3.12Å; N750-L753 PolarHBondContact OD1-N 3.46Å
754F98.5Very high97Very high1 Ų156.8 Ų56.80%0.00429%0.289CS..THydrogen-bonded Turntrans-101.413.8-176-54.5-58.9000114.1L614 K617 L618 I741 F746 H752 D756 I757 Y758L614-F754 HydrophobicContact CD1-CD1 3.89Å; L614-F754 HydrophobicContact CD1-CE1 4.01Å; L614-F754 HydrophobicContact CG-CD1 4.19Å; K617-F754 HydrophobicContact CB-CE1 4.33Å; K617-F754 HydrophobicContact CG-CE1 3.87Å; K617-F754 HydrophobicContact CG-CZ 4Å; L618-F754 HydrophobicContact CB-CD1 3.97Å; L618-F754 HydrophobicContact CB-CE1 3.67Å; L618-F754 HydrophobicContact CB-CZ 4.07Å; L618-F754 HydrophobicContact CD1-CD1 4.18Å; L618-F754 HydrophobicContact CD1-CD2 3.77Å; L618-F754 HydrophobicContact CD1-CE1 4.2Å; L618-F754 HydrophobicContact CD1-CE2 3.78Å; L618-F754 HydrophobicContact CD1-CG 3.97Å; L618-F754 HydrophobicContact CD1-CZ 4Å; I741-F754 HydrophobicContact CG2-CB 3.62Å; F746-F754 HydrophobicContact CB-CE2 4.32Å; H752-F754 VanDerWaalsContact C-N 3.28Å; H752-F754 PolarHBondContact O-N 3.28Å; F754-D756 PolarHBondContact O-N 3.32Å; F754-I757 HydrophobicContact CD1-CD1 4.09Å; F754-I757 PolarHBondContact O-N 3.27Å; F754-I757 VanDerWaalsContact O-N 3.12Å; F754-Y758 PolarHBondContact O-N 2.97Å
755K97.4Very high97.1Very high73 Ų7356.8 Ų56.832%0.31729%0.289SS..Hα-helixtrans-58.8-34.2174.9-80.6-178.7170.6175.90112.3H752 I757 Y758 N759H752-K755 HydrophobicContact CB-CD 3.94Å; H752-K755 HydrophobicContact CB-CG 4.49Å; H752-K755 PolarHBondContact CD2-NZ 2.86Å; H752-K755 PolarHBondContact CE1-NZ 2.72Å; H752-K755 WeakPolarHBondContact ND1-CE 3.38Å; H752-K755 PolarHBondContact ND1-NZ 3.34Å; H752-K755 VanDerWaalsContact ND1-NZ 3.19Å; H752-K755 PolarHBondContact NE2-NZ 2.87Å; H752-K755 VanDerWaalsContact NE2-NZ 3.13Å; H752-K755 WeakPolarHBondContact O-CB 3.4Å; H752-K755 PolarHBondContact O-N 2.89Å; H752-K755 VanDerWaalsContact O-N 3.12Å; K755-I757 VanDerWaalsContact C-N 3.35Å; K755-I757 PolarHBondContact O-N 3.28Å; K755-Y758 PolarHBondContact O-N 3.45Å; K755-N759 WeakPolarHBondContact O-CB 3.49Å; K755-N759 PolarHBondContact O-N 2.93Å; K755-N759 PolarHBondContact O-ND2 3Å; K755-N759 PolarHBondContact O-OD1 3.43Å
756D97.5Very high96.9Very high79 Ų7958.2 Ų58.242%0.42229%0.291SS..Hα-helixtrans-65.4-37.6176.9-66.3-9.6000112.2M611 L614 F754 N759 S760M611-D756 HydrophobicContact CE-CB 4Å; L614-D756 HydrophobicContact CD2-CB 3.93Å; F754-D756 PolarHBondContact O-N 3.32Å; D756-N759 PolarHBondContact O-N 3.46Å; D756-S760 WeakPolarHBondContact O-CB 3.39Å; D756-S760 PolarHBondContact O-N 3.29Å; D756-S760 PolarHBondContact O-OG 2.92Å
757I98.5Very high96.8Very high0 Ų058.5 Ų58.50%029%0.292CS..Hα-helixtrans-67.6-41.5173.3-69.8178.6000110.9L573 M611 L614 I615 L618 I741 F754 K755 S760 L761L573-I757 HydrophobicContact CD1-CG2 3.81Å; L573-I757 HydrophobicContact CD2-CG2 3.83Å; L573-I757 HydrophobicContact CG-CG2 4.48Å; M611-I757 HydrophobicContact SD-CG1 3.65Å; L614-I757 HydrophobicContact CB-CD1 4.39Å; L614-I757 HydrophobicContact CD2-CD1 4.29Å; L614-I757 HydrophobicContact CD2-CG1 3.95Å; L614-I757 HydrophobicContact CG-CD1 3.85Å; L614-I757 HydrophobicContact CG-CG1 4.07Å; I615-I757 HydrophobicContact CG1-CD1 3.95Å; I615-I757 HydrophobicContact CG1-CG1 4.44Å; L618-I757 HydrophobicContact CB-CD1 3.91Å; L618-I757 HydrophobicContact CD2-CD1 3.79Å; L618-I757 HydrophobicContact CD2-CG2 4.1Å; L618-I757 HydrophobicContact CG-CD1 4.48Å; I741-I757 HydrophobicContact CG2-CB 4.4Å; I741-I757 HydrophobicContact CG2-CG2 4.14Å; F754-I757 HydrophobicContact CD1-CD1 4.09Å; F754-I757 PolarHBondContact O-N 3.27Å; F754-I757 VanDerWaalsContact O-N 3.12Å; K755-I757 VanDerWaalsContact C-N 3.35Å; K755-I757 PolarHBondContact O-N 3.28Å; I757-S760 PolarHBondContact O-OG 3.39Å; I757-L761 PolarHBondContact O-N 2.8Å
758Y98.4Very high96.9Very high30 Ų3058 Ų5812%0.11829%0.289CS..Hα-helixtrans-60.3-48.4173.1173.2-93.1000110.6L738 R742 F754 K755 S760 L761 A762 F763L738-Y758 HydrophobicContact CB-CD2 3.98Å; L738-Y758 HydrophobicContact CB-CE2 4.05Å; L738-Y758 WeakPolarHBondContact O-CD2 3.45Å; R742-Y758 HydrophobicContact CB-CD1 4.34Å; R742-Y758 HydrophobicContact CB-CD2 3.62Å; R742-Y758 HydrophobicContact CB-CE2 4.12Å; R742-Y758 HydrophobicContact CB-CG 3.72Å; R742-Y758 HydrophobicContact CG-CD1 3.94Å; R742-Y758 HydrophobicContact CG-CD2 4.06Å; R742-Y758 HydrophobicContact CG-CE1 4.22Å; R742-Y758 HydrophobicContact CG-CE2 4.29Å; R742-Y758 HydrophobicContact CG-CG 3.85Å; F754-Y758 PolarHBondContact O-N 2.97Å; K755-Y758 PolarHBondContact O-N 3.45Å; Y758-S760 PolarHBondContact O-N 2.99Å; Y758-L761 PolarHBondContact O-N 3.24Å; Y758-A762 HydrophobicContact CD1-CB 4.08Å; Y758-A762 HydrophobicContact CE1-CB 3.67Å; Y758-A762 HydrophobicContact CE2-CB 4.31Å; Y758-A762 WeakPolarHBondContact O-CB 3.32Å; Y758-A762 PolarHBondContact O-N 3.05Å; Y758-F763 HydrophobicContact CE1-CE2 4.45Å
759N98.1Very high97.1Very high68 Ų6853.6 Ų53.636%0.36426%0.26SS..Hα-helixtrans-62.5-43.2-177.7-67.9-21.1000111.9K755 D756 L761 A762 F763K755-N759 WeakPolarHBondContact O-CB 3.49Å; K755-N759 PolarHBondContact O-N 2.93Å; K755-N759 PolarHBondContact O-ND2 3Å; K755-N759 PolarHBondContact O-OD1 3.43Å; D756-N759 PolarHBondContact O-N 3.46Å; N759-L761 VanDerWaalsContact C-N 3.26Å; N759-L761 PolarHBondContact O-N 3.13Å; N759-A762 PolarHBondContact O-N 3.34Å; N759-F763 HydrophobicContact CB-CD2 4.12Å; N759-F763 HydrophobicContact CB-CE2 4.37Å; N759-F763 WeakPolarHBondContact O-CD2 3.5Å; N759-F763 PolarHBondContact O-N 2.83Å; N759-F763 VanDerWaalsContact O-N 3.08Å
760S97.5Very high97.3Very high23 Ų2345.1 Ų45.116%0.16122%0.22CC..Hα-helixtrans-67.4-24.8179.568.10000113.1D756 I757 Y758 D765D756-S760 WeakPolarHBondContact O-CB 3.39Å; D756-S760 PolarHBondContact O-N 3.29Å; D756-S760 PolarHBondContact O-OG 2.92Å; I757-S760 PolarHBondContact O-OG 3.39Å; Y758-S760 PolarHBondContact O-N 2.99Å; S760-D765 VanDerWaalsContact O-CA 3.28Å; S760-D765 WeakPolarHBondContact O-CA 3.32Å; S760-D765 PolarHBondContact O-N 3.4Å
761L98.3Very high97.4Very high5 Ų542 Ų423%0.02621%0.206CC..Hα-helixtrans-91.1-28.7171.4-62.9-171.1000114L573 L577 P724 L738 I757 Y758 N759 D765 L769L573-L761 HydrophobicContact CD2-CD1 3.78Å; L573-L761 HydrophobicContact CD2-CD2 4.12Å; L573-L761 HydrophobicContact CD2-CG 4.1Å; L573-L761 HydrophobicContact CG-CD1 4.18Å; L577-L761 HydrophobicContact CD1-CD1 4.03Å; P724-L761 WeakPolarHBondContact CB-O 3.26Å; L738-L761 HydrophobicContact CD2-CB 4.16Å; L738-L761 HydrophobicContact CD2-CD1 3.68Å; I757-L761 PolarHBondContact O-N 2.8Å; Y758-L761 PolarHBondContact O-N 3.24Å; N759-L761 VanDerWaalsContact C-N 3.26Å; N759-L761 PolarHBondContact O-N 3.13Å; L761-D765 HydrophobicContact CD2-CB 4.47Å; L761-D765 WeakPolarHBondContact CD2-OD1 3.29Å; L761-L769 HydrophobicContact CD1-CD2 4.42Å; L761-L769 HydrophobicContact CD2-CB 4.08Å; L761-L769 HydrophobicContact CD2-CD1 4.16Å; L761-L769 HydrophobicContact CD2-CD2 4.06Å; L761-L769 HydrophobicContact CD2-CG 4.31Å
762A97.2Very high97.5Very high1 Ų139.7 Ų39.71%0.00819%0.191CC..Hα-helixtrans-78.8-32.1-175.700000113.4Q725 Y758 N759Q725-A762 PolarHBondContact NE2-O 3.23Å; Y758-A762 HydrophobicContact CD1-CB 4.08Å; Y758-A762 HydrophobicContact CE1-CB 3.67Å; Y758-A762 HydrophobicContact CE2-CB 4.31Å; Y758-A762 WeakPolarHBondContact O-CB 3.32Å; Y758-A762 PolarHBondContact O-N 3.05Å; N759-A762 PolarHBondContact O-N 3.34Å
763F96Very high97.6Very high139 Ų13934.2 Ų34.261%0.6117%0.165SC*.THydrogen-bonded Turntrans-123.2-14.6-167.5-55.7-61.8000115.3Y758 N759Y758-F763 HydrophobicContact CE1-CE2 4.45Å; N759-F763 HydrophobicContact CB-CD2 4.12Å; N759-F763 HydrophobicContact CB-CE2 4.37Å; N759-F763 WeakPolarHBondContact O-CD2 3.5Å; N759-F763 PolarHBondContact O-N 2.83Å; N759-F763 VanDerWaalsContact O-N 3.08Å
764D94Very high97.7Very high99 Ų9934 Ų3453%0.52917%0.169SC..THydrogen-bonded Turntrans-131.7-64.1-175.3173.267.4000110.7R766D764-R766 VanDerWaalsContact C-N 3.3Å; D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact OD2-CB 3.3Å; D764-R766 WeakPolarHBondContact OD2-CB 3.41Å; D764-R766 PolarHBondContact OD2-N 3.06Å
765D97.4Very high97.7Very high3 Ų335 Ų352%0.01618%0.175CC..  trans45.151.7-176.4-174.232.3000112.6Y722 P724 S760 L761 F767 L768 L769 C770Y722-D765 HydrophobicContact CE1-CB 3.91Å; Y722-D765 PolarHBondContact OH-OD2 2.98Å; P724-D765 HydrophobicContact CB-CB 4.06Å; P724-D765 HydrophobicContact CG-CB 3.74Å; S760-D765 VanDerWaalsContact O-CA 3.28Å; S760-D765 WeakPolarHBondContact O-CA 3.32Å; S760-D765 PolarHBondContact O-N 3.4Å; L761-D765 HydrophobicContact CD2-CB 4.47Å; L761-D765 WeakPolarHBondContact CD2-OD1 3.29Å; D765-F767 PolarHBondContact O-N 2.96Å; D765-L768 PolarHBondContact O-N 3.28Å; D765-L768 PolarHBondContact OD1-N 2.74Å; D765-L768 WeakPolarHBondContact OD2-CA 3.44Å; D765-L769 VanDerWaalsContact CG-N 3.31Å; D765-L769 WeakPolarHBondContact OD1-CD1 3.47Å; D765-L769 PolarHBondContact OD1-N 3.07Å; D765-L769 PolarHBondContact OD2-N 2.89Å; D765-C770 WeakPolarHBondContact OD2-CB 3.49Å; D765-C770 PolarHBondContact OD2-N 3.02Å
766R95Very high97.7Very high123 Ų12331.5 Ų31.546%0.46416%0.16SC..THydrogen-bonded Turntrans-45.8-19.3176.2180175.8-176.2-137.9-8.2115.4E376 D764E376-R766 IonicContact OE1-CZ 3.92Å; E376-R766 VanDerWaalsContact OE1-CZ 3.24Å; E376-R766 IonicContact OE1-NH1 3.67Å; E376-R766 PolarHBondContact OE1-NH1 2.96Å; E376-R766 IonicContact OE1-NH2 3.87Å; E376-R766 PolarHBondContact OE1-NH2 3.38Å; E376-R766 IonicContact OE2-NH2 2.78Å; D764-R766 VanDerWaalsContact C-N 3.3Å; D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact OD2-CB 3.3Å; D764-R766 WeakPolarHBondContact OD2-CB 3.41Å; D764-R766 PolarHBondContact OD2-N 3.06Å
767F96.8Very high97.8Very high12 Ų1228.2 Ų28.25%0.05314%0.142CC..THydrogen-bonded Turntrans-117.114.9-177.6-58.5-61.9000113.7E568 Y569 R571 T664 D765 L769E568-F767 HydrophobicContact CB-CD2 3.49Å; E568-F767 VanDerWaalsContact CB-CD2 3.49Å; E568-F767 HydrophobicContact CB-CE2 3.48Å; E568-F767 VanDerWaalsContact CB-CE2 3.48Å; E568-F767 HydrophobicContact CB-CG 4.49Å; E568-F767 HydrophobicContact CB-CZ 4.5Å; Y569-F767 VanDerWaalsContact CB-CD1 3.42Å; Y569-F767 VanDerWaalsContact CB-CE1 3.47Å; R571-F767 VanDerWaalsContact CD-O 3.24Å; R571-F767 WeakPolarHBondContact CD-O 3.38Å; R571-F767 PolarHBondContact NH1-O 3.46Å; R571-F767 VanDerWaalsContact NH1-O 3.14Å; T664-F767 WeakPolarHBondContact OG1-CB 3.49Å; T664-F767 PolarHBondContact OG1-O 2.85Å; D765-F767 PolarHBondContact O-N 2.96Å; F767-L769 VanDerWaalsContact C-N 3.28Å; F767-L769 HydrophobicContact CB-CD1 3.75Å; F767-L769 PolarHBondContact O-N 2.85Å
768L98.4Very high97.8Very high1 Ų134.6 Ų34.61%0.00517%0.166CC..  trans56.336.7166.2-53.2-179.9000113.7R571 L709 V714 L717 Y722 D765 A771 D772R571-L768 PolarHBondContact NH1-O 2.88Å; L709-L768 HydrophobicContact CD1-CD1 3.89Å; V714-L768 HydrophobicContact CB-CD1 4.22Å; V714-L768 HydrophobicContact CG1-CD1 3.84Å; V714-L768 HydrophobicContact CG2-CD1 3.79Å; L717-L768 HydrophobicContact CD2-CD1 4.38Å; L717-L768 HydrophobicContact CD2-CD2 4.21Å; Y722-L768 HydrophobicContact CD1-CD2 3.49Å; Y722-L768 VanDerWaalsContact CD1-CD2 3.49Å; Y722-L768 HydrophobicContact CD2-CD2 4.42Å; Y722-L768 HydrophobicContact CE1-CD2 3.3Å; Y722-L768 HydrophobicContact CE2-CD2 4.29Å; Y722-L768 HydrophobicContact CG-CD2 4.05Å; D765-L768 PolarHBondContact O-N 3.28Å; D765-L768 PolarHBondContact OD1-N 2.74Å; D765-L768 WeakPolarHBondContact OD2-CA 3.44Å; L768-A771 HydrophobicContact CB-CB 4.15Å; L768-D772 PolarHBondContact O-N 3.29Å; L768-D772 VanDerWaalsContact O-N 3.08Å
769L98.7Very high97.8Very high6 Ų633.3 Ų33.33%0.03116%0.161CC..Hα-helixtrans-65-40.5177.1-77.480000111.1R571 L573 L574 L761 D765 F767 Y773R571-L769 HydrophobicContact CB-CG 4.44Å; R571-L769 HydrophobicContact CG-CD1 3.97Å; R571-L769 HydrophobicContact CG-CG 4.25Å; L573-L769 HydrophobicContact CB-CD2 3.81Å; L573-L769 HydrophobicContact CD2-CD2 4Å; L573-L769 HydrophobicContact CG-CD2 3.77Å; L574-L769 HydrophobicContact CB-CD2 3.83Å; L574-L769 HydrophobicContact CB-CG 4.07Å; L761-L769 HydrophobicContact CD1-CD2 4.42Å; L761-L769 HydrophobicContact CD2-CB 4.08Å; L761-L769 HydrophobicContact CD2-CD1 4.16Å; L761-L769 HydrophobicContact CD2-CD2 4.06Å; L761-L769 HydrophobicContact CD2-CG 4.31Å; D765-L769 VanDerWaalsContact CG-N 3.31Å; D765-L769 WeakPolarHBondContact OD1-CD1 3.47Å; D765-L769 PolarHBondContact OD1-N 3.07Å; D765-L769 PolarHBondContact OD2-N 2.89Å; F767-L769 VanDerWaalsContact C-N 3.28Å; F767-L769 HydrophobicContact CB-CD1 3.75Å; F767-L769 PolarHBondContact O-N 2.85Å; L769-Y773 WeakPolarHBondContact O-CB 3.33Å; L769-Y773 PolarHBondContact O-N 3.47Å
770C98.8Very high97.8Very high1 Ų130.1 Ų30.11%0.00715%0.145CC..Hα-helixtrans-72.5-35.6-179.6-59.10000111.3I728 L734 D765I728-C770 HydrophobicContact CG1-CB 4.34Å; L734-C770 HydrophobicContact CD2-CB 3.91Å; D765-C770 WeakPolarHBondContact OD2-CB 3.49Å; D765-C770 PolarHBondContact OD2-N 3.02Å
771A98.3Very high97.8Very high17 Ų1733.5 Ų33.514%0.1416%0.158CC..Hα-helixtrans-64.7-45.4174.400000112.9L709 L717 Y722 Y727 L768L709-A771 HydrophobicContact CD1-CB 4.12Å; L717-A771 HydrophobicContact CD2-CB 4.27Å; Y722-A771 HydrophobicContact CE2-CB 3.88Å; Y722-A771 PolarHBondContact OH-N 2.75Å; Y722-A771 VanDerWaalsContact OH-N 3.13Å; Y727-A771 HydrophobicContact CD1-CB 4.3Å; Y727-A771 HydrophobicContact CE1-CB 4.02Å; L768-A771 HydrophobicContact CB-CB 4.15Å
772D98.7Very high97.8Very high5 Ų536.6 Ų36.63%0.02717%0.172CC..Hα-helixtrans-80.8-22.7-177.7-83.9-3.5000113.7R571 F707 G708 L709 L768 A774 S775 Y776R571-D772 IonicContact CZ-OD2 3.88Å; R571-D772 IonicContact NH1-OD2 2.78Å; R571-D772 PolarHBondContact NH1-OD2 2.94Å; R571-D772 IonicContact NH2-OD2 3.77Å; R571-D772 PolarHBondContact NH2-OD2 3.49Å; F707-D772 HydrophobicContact CD2-CB 4.47Å; F707-D772 HydrophobicContact CE2-CB 4.23Å; G708-D772 VanDerWaalsContact CA-CG 3.42Å; G708-D772 WeakPolarHBondContact CA-OD1 3.29Å; L709-D772 PolarHBondContact N-OD1 3.03Å; L768-D772 PolarHBondContact O-N 3.29Å; L768-D772 VanDerWaalsContact O-N 3.08Å; D772-A774 PolarHBondContact O-N 2.9Å; D772-S775 WeakPolarHBondContact O-CA 3.4Å; D772-S775 PolarHBondContact O-N 3.19Å; D772-S775 PolarHBondContact O-OG 2.84Å; D772-Y776 PolarHBondContact O-N 2.92Å
773Y98.9Very high97.9Very high1 Ų136.6 Ų36.60%0.00417%0.172CC..Hα-helixtrans-44.5-54.4-171.5174.3-91.3000113.7L574 L577 T581 E731 E733 L734 L769 S775 Y776 I777L574-Y773 HydrophobicContact CD1-CD2 4.25Å; L577-Y773 HydrophobicContact CB-CE2 4.34Å; T581-Y773 WeakPolarHBondContact CG2-OH 3.4Å; T581-Y773 PolarHBondContact OG1-OH 3.2Å; E731-Y773 HydrophobicContact CB-CD1 4.35Å; E731-Y773 HydrophobicContact CB-CE1 4.43Å; E731-Y773 HydrophobicContact CG-CD1 4.39Å; E733-Y773 WeakPolarHBondContact CB-OH 3.35Å; L734-Y773 HydrophobicContact CB-CD1 3.71Å; L734-Y773 HydrophobicContact CB-CD2 4.38Å; L734-Y773 HydrophobicContact CB-CE1 3.6Å; L734-Y773 HydrophobicContact CB-CE2 4.27Å; L734-Y773 HydrophobicContact CB-CG 4.11Å; L734-Y773 HydrophobicContact CD1-CD2 3.87Å; L734-Y773 HydrophobicContact CD1-CE2 4.17Å; L734-Y773 HydrophobicContact CD1-CG 4.06Å; L734-Y773 HydrophobicContact CD2-CD1 4.25Å; L734-Y773 HydrophobicContact CD2-CG 4.17Å; L734-Y773 HydrophobicContact CG-CD1 4.38Å; L734-Y773 HydrophobicContact CG-CG 4.34Å; L734-Y773 PolarHBondContact N-OH 2.86Å; L769-Y773 WeakPolarHBondContact O-CB 3.33Å; L769-Y773 PolarHBondContact O-N 3.47Å; Y773-S775 PolarHBondContact O-N 3.32Å; Y773-Y776 WeakPolarHBondContact O-CB 3.42Å; Y773-Y776 PolarHBondContact O-N 3.46Å; Y773-Y776 VanDerWaalsContact O-N 3.09Å; Y773-I777 HydrophobicContact CD1-CG1 4.12Å; Y773-I777 HydrophobicContact CD2-CD1 4.45Å; Y773-I777 HydrophobicContact CD2-CG1 4.04Å; Y773-I777 HydrophobicContact CE1-CG1 3.74Å; Y773-I777 HydrophobicContact CE2-CD1 3.84Å; Y773-I777 HydrophobicContact CE2-CG1 3.67Å; Y773-I777 HydrophobicContact CG-CG1 4.26Å; Y773-I777 WeakPolarHBondContact O-CG1 3.45Å; Y773-I777 PolarHBondContact O-N 2.77Å
774A98.5Very high97.9Very high28 Ų2830.7 Ų30.723%0.23115%0.146CC..Hα-helixtrans-61.8-28.6-176.900000113.2E731 D772 R778E731-A774 HydrophobicContact CG-CB 4.1Å; E731-A774 WeakPolarHBondContact OE1-CB 3.3Å; D772-A774 PolarHBondContact O-N 2.9Å; A774-R778 WeakPolarHBondContact O-CB 3.4Å; A774-R778 PolarHBondContact O-N 2.86Å; A774-R778 PolarHBondContact O-NH1 2.75Å; A774-R778 VanDerWaalsContact O-NH1 3.11Å
775S98.7Very high98.1Very high20 Ų2032 Ų3214%0.1415%0.149CC..Hα-helixtrans-82.7-34.2175.874.80000112.6F707 G708 D772 Y773 V779F707-S775 WeakPolarHBondContact CD2-OG 3.37Å; G708-S775 WeakPolarHBondContact CA-OG 3.38Å; G708-S775 PolarHBondContact N-OG 2.85Å; G708-S775 VanDerWaalsContact N-OG 3.08Å; D772-S775 WeakPolarHBondContact O-CA 3.4Å; D772-S775 PolarHBondContact O-N 3.19Å; D772-S775 PolarHBondContact O-OG 2.84Å; Y773-S775 PolarHBondContact O-N 3.32Å; S775-V779 PolarHBondContact O-N 2.88Å
776Y98.8Very high98.1Very high0 Ų031.9 Ų31.90%015%0.149CC..Hα-helixtrans-66-47.9173.7179.9-127.2000111.8L574 H578 E660 I662 V685 F707 D772 Y773 R778 V779 Q780L574-Y776 HydrophobicContact CD1-CD1 3.8Å; L574-Y776 HydrophobicContact CD1-CE1 4.37Å; L574-Y776 HydrophobicContact CD2-CD1 4.07Å; L574-Y776 HydrophobicContact CD2-CG 4.21Å; L574-Y776 HydrophobicContact CG-CD1 3.56Å; L574-Y776 HydrophobicContact CG-CE1 3.82Å; L574-Y776 HydrophobicContact CG-CG 4.21Å; L574-Y776 WeakPolarHBondContact O-CE1 3.12Å; H578-Y776 HydrophobicContact CB-CD1 4.19Å; H578-Y776 HydrophobicContact CB-CE1 3.47Å; H578-Y776 VanDerWaalsContact CB-CE1 3.47Å; E660-Y776 PolarHBondContact OE1-OH 3.48Å; E660-Y776 PolarHBondContact OE2-OH 3.06Å; I662-Y776 HydrophobicContact CD1-CE2 4.41Å; I662-Y776 HydrophobicContact CG2-CD2 4.44Å; I662-Y776 HydrophobicContact CG2-CE2 3.97Å; V685-Y776 HydrophobicContact CG2-CE2 4.41Å; F707-Y776 HydrophobicContact CD1-CD2 4.17Å; F707-Y776 HydrophobicContact CD2-CD2 4.34Å; F707-Y776 HydrophobicContact CD2-CG 4.47Å; F707-Y776 AromaticContact CE1-CD2 3.61Å; F707-Y776 HydrophobicContact CE1-CD2 3.61Å; F707-Y776 HydrophobicContact CE1-CE2 4.24Å; F707-Y776 AromaticContact CE2-CD2 3.85Å; F707-Y776 HydrophobicContact CE2-CD2 3.85Å; F707-Y776 HydrophobicContact CE2-CG 4.01Å; F707-Y776 HydrophobicContact CG-CD2 4.5Å; F707-Y776 AromaticContact CZ-CD2 3.43Å; F707-Y776 HydrophobicContact CZ-CD2 3.43Å; F707-Y776 VanDerWaalsContact CZ-CD2 3.43Å; F707-Y776 HydrophobicContact CZ-CE2 4.16Å; F707-Y776 HydrophobicContact CZ-CG 4.04Å; D772-Y776 PolarHBondContact O-N 2.92Å; Y773-Y776 WeakPolarHBondContact O-CB 3.42Å; Y773-Y776 PolarHBondContact O-N 3.46Å; Y773-Y776 VanDerWaalsContact O-N 3.09Å; Y776-R778 VanDerWaalsContact C-N 3.27Å; Y776-R778 PolarHBondContact O-N 2.72Å; Y776-V779 PolarHBondContact O-N 2.86Å; Y776-Q780 HydrophobicContact CD2-CG 4.16Å; Y776-Q780 HydrophobicContact CE2-CG 3.9Å; Y776-Q780 WeakPolarHBondContact O-CB 3.24Å; Y776-Q780 VanDerWaalsContact O-CG 3.29Å; Y776-Q780 WeakPolarHBondContact O-CG 3.11Å; Y776-Q780 PolarHBondContact O-N 3.18Å; Y776-Q780 PolarHBondContact OH-NE2 3.4Å
777I98.7Very high98.2Very high11 Ų1128.2 Ų28.26%0.05614%0.135CC..Hα-helixtrans-61.2-36177.6-64.6-59.3000111.8H578 T581 Y773 Q781H578-I777 HydrophobicContact CB-CD1 3.94Å; T581-I777 HydrophobicContact CG2-CD1 4.11Å; Y773-I777 HydrophobicContact CD1-CG1 4.12Å; Y773-I777 HydrophobicContact CD2-CD1 4.45Å; Y773-I777 HydrophobicContact CD2-CG1 4.04Å; Y773-I777 HydrophobicContact CE1-CG1 3.74Å; Y773-I777 HydrophobicContact CE2-CD1 3.84Å; Y773-I777 HydrophobicContact CE2-CG1 3.67Å; Y773-I777 HydrophobicContact CG-CG1 4.26Å; Y773-I777 WeakPolarHBondContact O-CG1 3.45Å; Y773-I777 PolarHBondContact O-N 2.77Å; I777-Q781 PolarHBondContact O-N 3.26Å
778R98.5Very high98.2Very high134 Ų13433.6 Ų33.651%0.50616%0.158SC..Hα-helixtrans-67.1-49.4173.6174.2168.356.5-98.52.5112.2A774 Y776 Q780 Q781 E782A774-R778 WeakPolarHBondContact O-CB 3.4Å; A774-R778 PolarHBondContact O-N 2.86Å; A774-R778 PolarHBondContact O-NH1 2.75Å; A774-R778 VanDerWaalsContact O-NH1 3.11Å; Y776-R778 VanDerWaalsContact C-N 3.27Å; Y776-R778 PolarHBondContact O-N 2.72Å; R778-Q780 PolarHBondContact O-N 3.5Å; R778-Q781 VanDerWaalsContact O-CB 3.32Å; R778-Q781 WeakPolarHBondContact O-CB 3.35Å; R778-Q781 PolarHBondContact O-N 3.28Å; R778-E782 PolarHBondContact O-N 2.98Å
779V98.7Very high98.2Very high2 Ų237.1 Ų37.11%0.01218%0.177CC..Hα-helixtrans-67.4-27.7-178.991.40000112V685 F705 F707 S775 Y776 Q781 E782 V783V685-V779 HydrophobicContact CG2-CG1 3.63Å; F705-V779 HydrophobicContact CB-CG2 3.85Å; F705-V779 HydrophobicContact CD1-CG2 4.23Å; F707-V779 HydrophobicContact CB-CB 4.1Å; F707-V779 HydrophobicContact CB-CG1 3.9Å; F707-V779 HydrophobicContact CD1-CG1 3.68Å; F707-V779 HydrophobicContact CG-CG1 3.99Å; S775-V779 PolarHBondContact O-N 2.88Å; Y776-V779 PolarHBondContact O-N 2.86Å; V779-Q781 PolarHBondContact O-N 2.67Å; V779-E782 HydrophobicContact CG2-CB 4.5Å; V779-E782 WeakPolarHBondContact O-CB 3.21Å; V779-E782 PolarHBondContact O-N 2.94Å; V779-V783 WeakPolarHBondContact O-CG2 3.2Å; V779-V783 PolarHBondContact O-N 2.91Å
780Q98.5Very high98Very high2 Ų241 Ų411%0.00920%0.195CC..Hα-helixtrans-65.6-23.4171.2-74-73.414.300113.3R597 E660 Y776 R778 E784R597-Q780 PolarHBondContact NH2-O 2.98Å; E660-Q780 PolarHBondContact OE1-NE2 3.31Å; Y776-Q780 HydrophobicContact CD2-CG 4.16Å; Y776-Q780 HydrophobicContact CE2-CG 3.9Å; Y776-Q780 WeakPolarHBondContact O-CB 3.24Å; Y776-Q780 VanDerWaalsContact O-CG 3.29Å; Y776-Q780 WeakPolarHBondContact O-CG 3.11Å; Y776-Q780 PolarHBondContact O-N 3.18Å; Y776-Q780 PolarHBondContact OH-NE2 3.4Å; R778-Q780 PolarHBondContact O-N 3.5Å; Q780-E784 PolarHBondContact O-N 3.09Å
781Q96.9Very high98Very high93 Ų9345.4 Ų45.444%0.43522%0.218SC..Hα-helixtrans-75.5-42.3169.4-64.5165.8-37.100110.9I777 R778 V779 V783 E784 E785I777-Q781 PolarHBondContact O-N 3.26Å; R778-Q781 VanDerWaalsContact O-CB 3.32Å; R778-Q781 WeakPolarHBondContact O-CB 3.35Å; R778-Q781 PolarHBondContact O-N 3.28Å; V779-Q781 PolarHBondContact O-N 2.67Å; Q781-V783 PolarHBondContact O-N 3.39Å; Q781-E784 PolarHBondContact O-N 2.9Å; Q781-E785 PolarHBondContact O-N 3.2Å
782E98.2Very high98Very high71 Ų7149.3 Ų49.333%0.33223%0.229SC..Hα-helixtrans-58.3-36.9173.5-60.4173.1-140.900112F705 R778 V779 A786F705-E782 HydrophobicContact CD1-CB 4.17Å; F705-E782 HydrophobicContact CE1-CB 4.15Å; R778-E782 PolarHBondContact O-N 2.98Å; V779-E782 HydrophobicContact CG2-CB 4.5Å; V779-E782 WeakPolarHBondContact O-CB 3.21Å; V779-E782 PolarHBondContact O-N 2.94Å; E782-A786 WeakPolarHBondContact O-CB 3.38Å; E782-A786 PolarHBondContact O-N 3.46Å
783V98.7Very high97.9Very high0 Ų049.3 Ų49.30%023%0.229CC..Hα-helixtrans-60-47.8172.2168.20000111.4L558 L658 F705 V779 Q781 A786 Y787 W793L558-V783 HydrophobicContact CD2-CG1 3.89Å; L658-V783 HydrophobicContact CD1-CG1 3.8Å; L658-V783 HydrophobicContact CD1-CG2 3.82Å; L658-V783 HydrophobicContact CD2-CG1 3.91Å; L658-V783 HydrophobicContact CD2-CG2 4.4Å; L658-V783 HydrophobicContact CG-CG1 4.39Å; F705-V783 HydrophobicContact CB-CG2 4.12Å; F705-V783 HydrophobicContact CD1-CG2 3.65Å; F705-V783 HydrophobicContact CD2-CG2 3.65Å; F705-V783 HydrophobicContact CE1-CB 4.43Å; F705-V783 HydrophobicContact CE1-CG2 3.91Å; F705-V783 HydrophobicContact CE2-CG2 3.91Å; F705-V783 HydrophobicContact CG-CG2 3.51Å; F705-V783 HydrophobicContact CZ-CB 4.46Å; F705-V783 HydrophobicContact CZ-CG2 4.03Å; V779-V783 WeakPolarHBondContact O-CG2 3.2Å; V779-V783 PolarHBondContact O-N 2.91Å; Q781-V783 PolarHBondContact O-N 3.39Å; V783-A786 PolarHBondContact O-N 3.39Å; V783-Y787 WeakPolarHBondContact O-CB 3.08Å; V783-Y787 PolarHBondContact O-N 3.38Å; V783-W793 HydrophobicContact CG1-CH2 4.34Å
784E97.4Very high97.9Very high15 Ų1549.5 Ų49.57%0.0723%0.23CC..Hα-helixtrans-68.8-34.5-179.6-71.1-167.8-161.400113I594 C595 R597 Q780 Q781 K788I594-E784 WeakPolarHBondContact CG1-OE2 3.33Å; C595-E784 HydrophobicContact CB-CB 4.09Å; C595-E784 VanDerWaalsContact CB-CD 3.42Å; C595-E784 HydrophobicContact CB-CG 3.61Å; C595-E784 VanDerWaalsContact CB-OE2 3.23Å; C595-E784 WeakPolarHBondContact CB-OE2 3.37Å; C595-E784 PolarHBondContact N-OE2 3.05Å; R597-E784 IonicContact CZ-OE1 3.34Å; R597-E784 IonicContact NE-OE1 3.42Å; R597-E784 VanDerWaalsContact NH2-CG 3.31Å; R597-E784 IonicContact NH2-OE1 2.68Å; R597-E784 PolarHBondContact NH2-OE1 3.36Å; Q780-E784 PolarHBondContact O-N 3.09Å; Q781-E784 PolarHBondContact O-N 2.9Å; E784-K788 WeakPolarHBondContact O-CD 3.34Å; E784-K788 VanDerWaalsContact O-CE 3.24Å; E784-K788 WeakPolarHBondContact O-CE 3.39Å; E784-K788 WeakPolarHBondContact O-CG 3.11Å; E784-K788 PolarHBondContact O-N 3.1Å; E784-K788 IonicContact OE2-NZ 3.8Å
785E97Very high97.9Very high128 Ų12851 Ų5160%0.59823%0.232SC*.Hα-helixtrans-65.2-42.6172.4-70.9179.9-179.600111.6Q781 K788Q781-E785 PolarHBondContact O-N 3.2Å; E785-K788 PolarHBondContact O-N 3.43Å
786A98.1Very high97.9Very high0 Ų050.2 Ų50.20%023%0.226CC..Hα-helixtrans-67.4-40.3177.200000113F705 E782 V783 K788 D789 W793 M796F705-A786 HydrophobicContact CE1-CB 4.13Å; F705-A786 HydrophobicContact CZ-CB 3.62Å; E782-A786 WeakPolarHBondContact O-CB 3.38Å; E782-A786 PolarHBondContact O-N 3.46Å; V783-A786 PolarHBondContact O-N 3.39Å; A786-K788 VanDerWaalsContact C-N 3.31Å; A786-K788 PolarHBondContact O-N 3.19Å; A786-D789 PolarHBondContact O-N 2.98Å; A786-D789 VanDerWaalsContact O-O 3.12Å; A786-W793 HydrophobicContact CB-CE3 3.91Å; A786-W793 HydrophobicContact CB-CZ3 4.02Å; A786-M796 HydrophobicContact CB-SD 4.45Å
787Y97.9Very high97.9Very high45 Ų4550.3 Ų50.318%0.17623%0.226CC..Hα-helixtrans-71.7-23.6179.5-179.2-104000113K538 A556 L558 C595 E657 V783 D789 W793K538-Y787 PolarHBondContact NZ-OH 3Å; A556-Y787 PolarHBondContact O-OH 2.89Å; A556-Y787 VanDerWaalsContact O-OH 3.06Å; L558-Y787 HydrophobicContact CB-CD1 4.22Å; L558-Y787 HydrophobicContact CB-CE1 3.97Å; L558-Y787 HydrophobicContact CD1-CD1 4.32Å; L558-Y787 HydrophobicContact CD1-CD2 3.67Å; L558-Y787 HydrophobicContact CD1-CE1 4.46Å; L558-Y787 HydrophobicContact CD1-CE2 3.84Å; L558-Y787 HydrophobicContact CD1-CG 3.93Å; C595-Y787 WeakPolarHBondContact SG-CD1 3.32Å; E657-Y787 PolarHBondContact OE1-OH 3.23Å; V783-Y787 WeakPolarHBondContact O-CB 3.08Å; V783-Y787 PolarHBondContact O-N 3.38Å; Y787-D789 PolarHBondContact O-N 3.13Å; Y787-W793 AromaticContact CD2-CD2 4Å; Y787-W793 HydrophobicContact CD2-CD2 4Å; Y787-W793 AromaticContact CD2-CE2 3.76Å; Y787-W793 HydrophobicContact CD2-CE3 4.47Å; Y787-W793 HydrophobicContact CD2-CG 4.33Å; Y787-W793 HydrophobicContact CD2-CH2 4.49Å; Y787-W793 HydrophobicContact CD2-CZ2 4.03Å; Y787-W793 AromaticContact CD2-NE1 3.97Å
788K96.2Very high97.9Very high125 Ų12549.9 Ų49.954%0.54322%0.224SC..Hα-helixtrans-69.6-21170.9-71.9158.4-161161.70112.7E784 E785 A786E784-K788 WeakPolarHBondContact O-CD 3.34Å; E784-K788 VanDerWaalsContact O-CE 3.24Å; E784-K788 WeakPolarHBondContact O-CE 3.39Å; E784-K788 WeakPolarHBondContact O-CG 3.11Å; E784-K788 PolarHBondContact O-N 3.1Å; E784-K788 IonicContact OE2-NZ 3.8Å; E785-K788 PolarHBondContact O-N 3.43Å; A786-K788 VanDerWaalsContact C-N 3.31Å; A786-K788 PolarHBondContact O-N 3.19Å
789D97.4Very high97.9Very high75 Ų7544.9 Ų44.940%0.40121%0.207SC..  trans-10193174.4-179.5-10.4000110.4A786 Y787 L791 R792 W793A786-D789 PolarHBondContact O-N 2.98Å; A786-D789 VanDerWaalsContact O-O 3.12Å; Y787-D789 PolarHBondContact O-N 3.13Å; D789-L791 PolarHBondContact O-N 2.99Å; D789-L791 VanDerWaalsContact O-N 3.15Å; D789-L791 WeakPolarHBondContact OD1-CA 3.43Å; D789-L791 WeakPolarHBondContact OD1-CB 3.42Å; D789-L791 PolarHBondContact OD1-N 3.01Å; D789-R792 HydrophobicContact CB-CB 3.85Å; D789-R792 PolarHBondContact O-N 3.2Å; D789-R792 PolarHBondContact OD1-N 3.02Å; D789-R792 VanDerWaalsContact OD2-CB 3.26Å; D789-R792 WeakPolarHBondContact OD2-CB 3.37Å; D789-W793 WeakPolarHBondContact O-CB 3.44Å; D789-W793 PolarHBondContact O-N 3.39Å
790E96.5Very high97.9Very high87 Ų8744.8 Ų44.841%0.40721%0.206SC..Hα-helixtrans-57.7-28.2179.7-170.3178110.700112.6I531 R535 S794I531-E790 HydrophobicContact CD1-CG 4.27Å; I531-E790 HydrophobicContact CG1-CG 4.05Å; I531-E790 HydrophobicContact CG2-CG 4.23Å; R535-E790 IonicContact CZ-OE2 3.41Å; R535-E790 VanDerWaalsContact CZ-OE2 3.24Å; R535-E790 IonicContact NH1-OE1 2.76Å; R535-E790 IonicContact NH1-OE2 3.6Å; R535-E790 PolarHBondContact NH1-OE2 3.4Å; R535-E790 IonicContact NH2-OE2 3.6Å; R535-E790 PolarHBondContact NH2-OE2 3.15Å; E790-S794 WeakPolarHBondContact O-CB 3.35Å; E790-S794 PolarHBondContact O-N 3.37Å; E790-S794 PolarHBondContact O-OG 3.07Å
791L97.3Very high98Very high94 Ų9444.9 Ų44.949%0.49221%0.207SC..Hα-helixtrans-77.8-42.4178.7-178.360000111.6L527 D789 S794 K795L527-L791 HydrophobicContact CD1-CD1 3.98Å; D789-L791 PolarHBondContact O-N 2.99Å; D789-L791 VanDerWaalsContact O-N 3.15Å; D789-L791 WeakPolarHBondContact OD1-CA 3.43Å; D789-L791 WeakPolarHBondContact OD1-CB 3.42Å; D789-L791 PolarHBondContact OD1-N 3.01Å; L791-S794 PolarHBondContact O-OG 3.29Å; L791-S794 VanDerWaalsContact O-OG 3.14Å; L791-K795 WeakPolarHBondContact O-CB 3.37Å; L791-K795 VanDerWaalsContact O-CG 3.28Å; L791-K795 WeakPolarHBondContact O-CG 3.49Å; L791-K795 PolarHBondContact O-N 2.85Å
792R97.8Very high98Very high100 Ų10040.5 Ų40.538%0.37719%0.186SC..Hα-helixtrans-62.3-49.2170.9176.4178.9173.8-165.2-1.8110.6D789 S794 K795 M796D789-R792 HydrophobicContact CB-CB 3.85Å; D789-R792 PolarHBondContact O-N 3.2Å; D789-R792 PolarHBondContact OD1-N 3.02Å; D789-R792 VanDerWaalsContact OD2-CB 3.26Å; D789-R792 WeakPolarHBondContact OD2-CB 3.37Å; R792-S794 PolarHBondContact O-N 3.47Å; R792-K795 PolarHBondContact O-N 3.1Å; R792-M796 HydrophobicContact CG-CG 4.44Å; R792-M796 HydrophobicContact CG-SD 3.74Å; R792-M796 VanDerWaalsContact O-CG 3.32Å; R792-M796 WeakPolarHBondContact O-CG 3.39Å; R792-M796 PolarHBondContact O-N 3.47Å
793W98.4Very high98Very high4 Ų437.3 Ų37.32%0.01517%0.172CC..Hα-helixtrans-62.6-43.9-177.6-164.2-97.4000112.7L558 E657 L658 M683 F705 V783 A786 Y787 D789 K795 M796 M797L558-W793 HydrophobicContact CD1-CH2 4.41Å; L558-W793 HydrophobicContact CD1-CZ2 4.23Å; E657-W793 HydrophobicContact CB-CZ2 4.16Å; E657-W793 WeakPolarHBondContact O-CZ2 3.41Å; L658-W793 HydrophobicContact CD1-CH2 4.45Å; M683-W793 HydrophobicContact CB-CH2 3.83Å; M683-W793 HydrophobicContact CB-CZ2 4.05Å; M683-W793 HydrophobicContact CB-CZ3 4.45Å; M683-W793 HydrophobicContact CG-CD2 4.21Å; M683-W793 HydrophobicContact CG-CE3 4.17Å; M683-W793 HydrophobicContact CG-CH2 3.47Å; M683-W793 VanDerWaalsContact CG-CH2 3.47Å; M683-W793 HydrophobicContact CG-CZ2 3.46Å; M683-W793 VanDerWaalsContact CG-CZ2 3.46Å; M683-W793 HydrophobicContact CG-CZ3 3.84Å; F705-W793 HydrophobicContact CE2-CH2 4.3Å; F705-W793 AromaticContact CE2-CZ3 3.9Å; F705-W793 HydrophobicContact CE2-CZ3 3.9Å; F705-W793 HydrophobicContact CZ-CZ3 4Å; V783-W793 HydrophobicContact CG1-CH2 4.34Å; A786-W793 HydrophobicContact CB-CE3 3.91Å; A786-W793 HydrophobicContact CB-CZ3 4.02Å; Y787-W793 AromaticContact CD2-CD2 4Å; Y787-W793 HydrophobicContact CD2-CD2 4Å; Y787-W793 AromaticContact CD2-CE2 3.76Å; Y787-W793 HydrophobicContact CD2-CE3 4.47Å; Y787-W793 HydrophobicContact CD2-CG 4.33Å; Y787-W793 HydrophobicContact CD2-CH2 4.49Å; Y787-W793 HydrophobicContact CD2-CZ2 4.03Å; Y787-W793 AromaticContact CD2-NE1 3.97Å; D789-W793 WeakPolarHBondContact O-CB 3.44Å; D789-W793 PolarHBondContact O-N 3.39Å; W793-K795 VanDerWaalsContact C-N 3.33Å; W793-K795 PolarHBondContact O-N 2.96Å; W793-M796 PolarHBondContact O-N 2.86Å; W793-M797 VanDerWaalsContact O-CB 3.28Å; W793-M797 WeakPolarHBondContact O-CB 3.26Å; W793-M797 PolarHBondContact O-N 3.26Å
794S98.5Very high98Very high5 Ų537.4 Ų37.44%0.03517%0.173CC..Hα-helixtrans-64.8-34.217656.70000113.1L527 E790 L791 R792 M797 L798L527-S794 WeakPolarHBondContact CD2-O 3.3Å; E790-S794 WeakPolarHBondContact O-CB 3.35Å; E790-S794 PolarHBondContact O-N 3.37Å; E790-S794 PolarHBondContact O-OG 3.07Å; L791-S794 PolarHBondContact O-OG 3.29Å; L791-S794 VanDerWaalsContact O-OG 3.14Å; R792-S794 PolarHBondContact O-N 3.47Å; S794-M797 WeakPolarHBondContact O-CB 3.31Å; S794-L798 PolarHBondContact O-N 3.29Å
795K98.7Very high98Very high59 Ų5936.9 Ų36.926%0.25717%0.171SC..Hα-helixtrans-66.5-46.1172.1-74.9-175.3-176.8-145.10112.2I521 N522 L527 L791 R792 W793 M797 L798 M799I521-K795 HydrophobicContact CD1-CB 3.7Å; I521-K795 HydrophobicContact CD1-CD 4.48Å; I521-K795 HydrophobicContact CD1-CG 3.84Å; I521-K795 WeakPolarHBondContact CD1-O 3.25Å; I521-K795 HydrophobicContact CG1-CB 4.44Å; I521-K795 HydrophobicContact CG1-CD 4.38Å; I521-K795 HydrophobicContact CG1-CG 4.23Å; I521-K795 WeakPolarHBondContact O-CE 3.47Å; I521-K795 PolarHBondContact O-NZ 3.36Å; N522-K795 PolarHBondContact OD1-NZ 3.13Å; L527-K795 HydrophobicContact CD1-CG 3.82Å; L527-K795 HydrophobicContact CD2-CG 4.49Å; L791-K795 WeakPolarHBondContact O-CB 3.37Å; L791-K795 VanDerWaalsContact O-CG 3.28Å; L791-K795 WeakPolarHBondContact O-CG 3.49Å; L791-K795 PolarHBondContact O-N 2.85Å; R792-K795 PolarHBondContact O-N 3.1Å; W793-K795 VanDerWaalsContact C-N 3.33Å; W793-K795 PolarHBondContact O-N 2.96Å; K795-M797 VanDerWaalsContact C-N 3.3Å; K795-M797 PolarHBondContact O-N 3.1Å; K795-L798 PolarHBondContact O-N 3.29Å; K795-M799 WeakPolarHBondContact O-CG 3.32Å; K795-M799 PolarHBondContact O-N 2.9Å
796M98.7Very high98Very high5 Ų532.4 Ų32.43%0.02515%0.15CC..Hα-helixtrans-63.2-37.8176.4-61.1166.765.600111.6M683 N703 F705 A786 R792 W793 M799 N800M683-M796 HydrophobicContact CE-CB 4.33Å; M683-M796 WeakPolarHBondContact CE-O 3.36Å; M683-M796 HydrophobicContact SD-CB 3.41Å; M683-M796 WeakPolarHBondContact SD-CB 3.31Å; M683-M796 HydrophobicContact SD-CE 3.96Å; N703-M796 HydrophobicContact CB-CB 4.47Å; N703-M796 WeakPolarHBondContact OD1-CA 3.46Å; N703-M796 WeakPolarHBondContact OD1-CG 3.35Å; F705-M796 HydrophobicContact CE2-CE 3.72Å; F705-M796 HydrophobicContact CZ-CE 3.64Å; A786-M796 HydrophobicContact CB-SD 4.45Å; R792-M796 HydrophobicContact CG-CG 4.44Å; R792-M796 HydrophobicContact CG-SD 3.74Å; R792-M796 VanDerWaalsContact O-CG 3.32Å; R792-M796 WeakPolarHBondContact O-CG 3.39Å; R792-M796 PolarHBondContact O-N 3.47Å; W793-M796 PolarHBondContact O-N 2.86Å; M796-M799 PolarHBondContact O-N 3.32Å; M796-N800 PolarHBondContact O-N 3.41Å; M796-N800 PolarHBondContact O-ND2 2.88Å
797M98.7Very high98Very high2 Ų232.5 Ų32.51%0.0115%0.15CC..Hα-helixtrans-57.2-50.4172.4-179.2174-63.700112.1L530 I531 K534 G681 M683 W793 S794 K795 M799 N800 I801L530-M797 HydrophobicContact CB-SD 3.97Å; I531-M797 HydrophobicContact CD1-CE 4.18Å; I531-M797 HydrophobicContact CD1-SD 4.42Å; K534-M797 HydrophobicContact CB-CE 4.23Å; K534-M797 HydrophobicContact CG-CE 4.06Å; G681-M797 WeakPolarHBondContact O-CG 3.42Å; M683-M797 VanDerWaalsContact CE-CA 3.48Å; M683-M797 HydrophobicContact CE-CB 4.27Å; W793-M797 VanDerWaalsContact O-CB 3.28Å; W793-M797 WeakPolarHBondContact O-CB 3.26Å; W793-M797 PolarHBondContact O-N 3.26Å; S794-M797 WeakPolarHBondContact O-CB 3.31Å; K795-M797 VanDerWaalsContact C-N 3.3Å; K795-M797 PolarHBondContact O-N 3.1Å; M797-M799 PolarHBondContact O-N 2.68Å; M797-N800 PolarHBondContact O-N 2.74Å; M797-I801 HydrophobicContact CG-CD1 4.01Å; M797-I801 WeakPolarHBondContact O-CD1 3.45Å; M797-I801 VanDerWaalsContact O-CG1 3.31Å; M797-I801 WeakPolarHBondContact O-CG1 3.28Å; M797-I801 PolarHBondContact O-N 3.2Å; M797-I801 VanDerWaalsContact O-N 3.09Å
798L98.7Very high98Very high1 Ų130.5 Ų30.51%0.00514%0.143CC..Hα-helixtrans-61.9-42.2175.3178.555000112.1L517 R520 I521 F526 L527 L530 S794 K795 N800 I801 A802L517-L798 HydrophobicContact CB-CD1 4.03Å; R520-L798 HydrophobicContact CB-CD2 3.92Å; I521-L798 HydrophobicContact CB-CD2 4.46Å; I521-L798 HydrophobicContact CD1-CB 4.3Å; I521-L798 HydrophobicContact CD1-CD2 4.07Å; I521-L798 HydrophobicContact CD1-CG 4.37Å; F526-L798 HydrophobicContact CD1-CD1 4.38Å; F526-L798 HydrophobicContact CD1-CD2 4.42Å; F526-L798 HydrophobicContact CE1-CD1 3.83Å; L527-L798 HydrophobicContact CD2-CB 4.13Å; L527-L798 HydrophobicContact CD2-CD2 3.88Å; L530-L798 HydrophobicContact CD1-CB 3.82Å; L530-L798 HydrophobicContact CD1-CD1 4.23Å; L530-L798 HydrophobicContact CD1-CG 4.48Å; S794-L798 PolarHBondContact O-N 3.29Å; K795-L798 PolarHBondContact O-N 3.29Å; L798-N800 PolarHBondContact O-N 2.76Å; L798-I801 PolarHBondContact O-N 3.19Å; L798-A802 WeakPolarHBondContact O-CB 3.41Å; L798-A802 PolarHBondContact O-N 2.97Å
799M98.7Very high98.1Very high30 Ų3024.5 Ų24.515%0.14812%0.117CC..Hα-helixtrans-64.2-38178.1-73-61.7-67.700112.6K518 I521 N703 K795 M796 M797 S803K518-M799 HydrophobicContact CB-SD 4.47Å; K518-M799 HydrophobicContact CD-CE 4.07Å; K518-M799 HydrophobicContact CD-SD 4.21Å; K518-M799 HydrophobicContact CG-SD 4.07Å; I521-M799 HydrophobicContact CD1-CG 3.79Å; I521-M799 HydrophobicContact CD1-SD 4.17Å; N703-M799 HydrophobicContact CB-CB 4.19Å; K795-M799 WeakPolarHBondContact O-CG 3.32Å; K795-M799 PolarHBondContact O-N 2.9Å; M796-M799 PolarHBondContact O-N 3.32Å; M797-M799 PolarHBondContact O-N 2.68Å; M799-S803 WeakPolarHBondContact O-CB 3.36Å; M799-S803 PolarHBondContact O-N 3.11Å; M799-S803 VanDerWaalsContact O-N 3.16Å; M799-S803 PolarHBondContact O-OG 2.88Å
800N98.7Very high98.1Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-62.7-52.5173.3-88.7-104.5000111.2M678 M683 M699 N703 M796 M797 L798 A802 S803 S804M678-N800 WeakPolarHBondContact CE-O 3.38Å; M678-N800 HydrophobicContact CG-CB 4.09Å; M678-N800 WeakPolarHBondContact CG-O 3.2Å; M678-N800 CarbonylContact O-C 3.59Å; M683-N800 HydrophobicContact CE-CB 3.88Å; M683-N800 VanDerWaalsContact CE-ND2 3.29Å; M683-N800 WeakPolarHBondContact CE-ND2 3.49Å; M699-N800 VanDerWaalsContact SD-CG 3.58Å; M699-N800 PolarHBondContact SD-ND2 3.41Å; M699-N800 VanDerWaalsContact SD-ND2 3.39Å; M699-N800 PolarHBondContact SD-OD1 3.23Å; N703-N800 PolarHBondContact O-ND2 2.91Å; M796-N800 PolarHBondContact O-N 3.41Å; M796-N800 PolarHBondContact O-ND2 2.88Å; M797-N800 PolarHBondContact O-N 2.74Å; L798-N800 PolarHBondContact O-N 2.76Å; N800-A802 PolarHBondContact O-N 3.33Å; N800-S803 PolarHBondContact O-N 3.4Å; N800-S804 PolarHBondContact O-N 3.36Å
801I98.8Very high98.1Very high3 Ų318.6 Ų18.62%0.0159%0.085CC..Hα-helixtrans-57.9-54.9179.9-64.5160.4000110.3L493 I497 I514 L530 M678 M797 L798 S803 S804L493-I801 HydrophobicContact CD1-CD1 4.16Å; L493-I801 HydrophobicContact CD2-CD1 4.22Å; I497-I801 HydrophobicContact CD1-CG2 3.86Å; I497-I801 HydrophobicContact CG1-CG2 4.49Å; I514-I801 WeakPolarHBondContact CD1-O 3.39Å; L530-I801 HydrophobicContact CD2-CD1 3.81Å; M678-I801 PolarHBondContact O-N 3.34Å; M797-I801 HydrophobicContact CG-CD1 4.01Å; M797-I801 WeakPolarHBondContact O-CD1 3.45Å; M797-I801 VanDerWaalsContact O-CG1 3.31Å; M797-I801 WeakPolarHBondContact O-CG1 3.28Å; M797-I801 PolarHBondContact O-N 3.2Å; M797-I801 VanDerWaalsContact O-N 3.09Å; L798-I801 PolarHBondContact O-N 3.19Å; I801-S803 PolarHBondContact O-N 3.47Å; I801-S803 VanDerWaalsContact O-N 3.16Å; I801-S804 WeakPolarHBondContact O-CB 3.4Å; I801-S804 PolarHBondContact O-N 2.9Å; I801-S804 VanDerWaalsContact O-N 3.16Å; I801-S804 PolarHBondContact O-OG 2.77Å
802A98.5Very high98.2Very high1 Ų114.1 Ų14.11%0.0086%0.062CC..Hα-helixtrans-65-20.6-174.900000113.8A515 L517 K518 L798 N800A515-A802 VanDerWaalsContact CA-O 3.24Å; A515-A802 WeakPolarHBondContact CA-O 3.13Å; A515-A802 PolarHBondContact N-O 3.49Å; L517-A802 HydrophobicContact CB-CB 3.99Å; K518-A802 HydrophobicContact CG-CB 3.63Å; L798-A802 WeakPolarHBondContact O-CB 3.41Å; L798-A802 PolarHBondContact O-N 2.97Å; N800-A802 PolarHBondContact O-N 3.33Å
803S98.5Very high98.2Very high5 Ų59.4 Ų9.44%0.0354%0.044CC..Hα-helixtrans-95.4-4.7-179.9-51.30000113.8K518 E698 M699 M799 N800 I801 G805K518-S803 WeakPolarHBondContact CE-OG 3.49Å; K518-S803 PolarHBondContact NZ-OG 2.86Å; E698-S803 VanDerWaalsContact O-CB 3.31Å; E698-S803 WeakPolarHBondContact O-CB 3.42Å; E698-S803 PolarHBondContact O-OG 3.16Å; E698-S803 VanDerWaalsContact O-OG 3.09Å; M699-S803 WeakPolarHBondContact CA-OG 3.48Å; M799-S803 WeakPolarHBondContact O-CB 3.36Å; M799-S803 PolarHBondContact O-N 3.11Å; M799-S803 VanDerWaalsContact O-N 3.16Å; M799-S803 PolarHBondContact O-OG 2.88Å; N800-S803 PolarHBondContact O-N 3.4Å; I801-S803 PolarHBondContact O-N 3.47Å; I801-S803 VanDerWaalsContact O-N 3.16Å; S803-G805 PolarHBondContact O-N 3.27Å
804S98.2Very high98.1Very high1 Ų112.8 Ų12.81%0.0076%0.057CC..G310 helixtrans-74.5-5.5-172.163.90000114.9L679 N800 I801 K806 F807L679-S804 VanDerWaalsContact CD1-OG 3.24Å; L679-S804 WeakPolarHBondContact CD1-OG 3.23Å; N800-S804 PolarHBondContact O-N 3.36Å; I801-S804 WeakPolarHBondContact O-CB 3.4Å; I801-S804 PolarHBondContact O-N 2.9Å; I801-S804 VanDerWaalsContact O-N 3.16Å; I801-S804 PolarHBondContact O-OG 2.77Å; S804-K806 PolarHBondContact O-N 3.16Å; S804-F807 PolarHBondContact O-N 2.86Å
805G97.8Very high98.1Very high4 Ų415.2 Ų15.24%0.0417%0.068CC..G310 helixtrans-52.8-43.3-175.800000115.4N512 S803 F807 S808N512-G805 WeakPolarHBondContact OD1-CA 3.24Å; N512-G805 PolarHBondContact OD1-O 3.38Å; S803-G805 PolarHBondContact O-N 3.27Å; G805-F807 PolarHBondContact O-N 3.09Å; G805-F807 VanDerWaalsContact O-N 3.1Å; G805-S808 WeakPolarHBondContact O-CB 3.35Å; G805-S808 PolarHBondContact O-N 3.33Å; G805-S808 VanDerWaalsContact O-N 3.08Å
806K96.4Very high98.1Very high35 Ų3512.4 Ų12.415%0.1526%0.055CC..G310 helixtrans-51.3-34.9175.3-179.7174.6179.3-178.20111.7N512 E694 E697 E698 S804 S808 R811N512-K806 PolarHBondContact OD1-N 2.71Å; E694-K806 WeakPolarHBondContact OE1-CE 3.49Å; E697-K806 IonicContact OE2-NZ 2.86Å; E697-K806 PolarHBondContact OE2-NZ 3.36Å; E698-K806 HydrophobicContact CG-CB 4.02Å; E698-K806 HydrophobicContact CG-CD 3.37Å; E698-K806 HydrophobicContact CG-CG 4.38Å; E698-K806 WeakPolarHBondContact OE1-CD 3.45Å; E698-K806 WeakPolarHBondContact OE1-CE 3.13Å; E698-K806 IonicContact OE1-NZ 3.81Å; E698-K806 PolarHBondContact OE1-NZ 2.83Å; S804-K806 PolarHBondContact O-N 3.16Å; K806-S808 VanDerWaalsContact C-N 3.28Å; K806-S808 PolarHBondContact O-N 2.76Å; K806-R811 WeakPolarHBondContact O-CD 3.33Å; K806-R811 PolarHBondContact O-NE 2.68Å; K806-R811 PolarHBondContact O-NH2 3.37Å
807F97.4Very high98.1Very high1 Ų112.1 Ų12.10%0.0045%0.054CC..G310 helixtrans-88.618.5-175.2-51-67.5000113.9T477 G479 I480 M675 M678 E694 M695 E698 S804 G805T477-F807 HydrophobicContact CG2-CE1 4.43Å; G479-F807 CarbonylContact C-O 3.54Å; G479-F807 WeakPolarHBondContact CA-O 3.5Å; I480-F807 WeakPolarHBondContact CG1-O 3.49Å; I480-F807 PolarHBondContact N-O 3.37Å; M675-F807 HydrophobicContact CB-CB 4.05Å; M675-F807 HydrophobicContact CE-CD1 3.73Å; M675-F807 HydrophobicContact CE-CE1 4.45Å; M675-F807 HydrophobicContact CE-CG 4.46Å; M675-F807 HydrophobicContact CG-CB 3.78Å; M675-F807 HydrophobicContact CG-CD1 4.08Å; M675-F807 HydrophobicContact CG-CG 3.94Å; M675-F807 HydrophobicContact SD-CB 3.96Å; M675-F807 HydrophobicContact SD-CD1 4.2Å; M675-F807 HydrophobicContact SD-CG 4.38Å; M678-F807 HydrophobicContact CE-CD2 4.41Å; M678-F807 HydrophobicContact CE-CE2 4.12Å; M678-F807 HydrophobicContact SD-CD2 3.8Å; M678-F807 HydrophobicContact SD-CE2 3.85Å; E694-F807 HydrophobicContact CB-CE1 3.99Å; E694-F807 HydrophobicContact CB-CZ 3.98Å; M695-F807 HydrophobicContact CB-CE2 4.36Å; M695-F807 HydrophobicContact CB-CZ 4.26Å; M695-F807 HydrophobicContact CG-CD2 4.2Å; M695-F807 HydrophobicContact CG-CE1 4.13Å; M695-F807 HydrophobicContact CG-CE2 3.61Å; M695-F807 HydrophobicContact CG-CZ 3.58Å; E698-F807 HydrophobicContact CG-CE2 4.09Å; E698-F807 HydrophobicContact CG-CZ 4.23Å; S804-F807 PolarHBondContact O-N 2.86Å; G805-F807 PolarHBondContact O-N 3.09Å; G805-F807 VanDerWaalsContact O-N 3.1Å
808S98.2Very high98Very high3 Ų317.7 Ų17.72%0.0218%0.075CC..BIsolated β-bridgetrans-72133.1167.6175.40000112I480 G805 K806 D810 R811 T812I480-S808 WeakPolarHBondContact O-CA 3.25Å; G805-S808 WeakPolarHBondContact O-CB 3.35Å; G805-S808 PolarHBondContact O-N 3.33Å; G805-S808 VanDerWaalsContact O-N 3.08Å; K806-S808 VanDerWaalsContact C-N 3.28Å; K806-S808 PolarHBondContact O-N 2.76Å; S808-D810 PolarHBondContact O-N 2.81Å; S808-D810 WeakPolarHBondContact OG-CB 3.26Å; S808-D810 PolarHBondContact OG-N 3.03Å; S808-D810 PolarHBondContact OG-OD2 2.88Å; S808-R811 WeakPolarHBondContact O-CB 3.42Å; S808-R811 PolarHBondContact O-N 3.03Å; S808-T812 PolarHBondContact O-N 2.58Å; S808-T812 PolarHBondContact O-OG1 2.89Å
809S98Very high97.9Very high0 Ų021.9 Ų21.90%010%0.097CC..Hα-helixtrans-65.3-19.6169.954.40000112.8S144 I480 T481 R811 T812 I813S144-S809 VanDerWaalsContact OG-C 3.22Å; S144-S809 VanDerWaalsContact OG-CB 3.32Å; S144-S809 WeakPolarHBondContact OG-CB 3.22Å; S144-S809 PolarHBondContact OG-O 2.91Å; S144-S809 PolarHBondContact OG-OG 3.29Å; I480-S809 PolarHBondContact O-N 3.38Å; I480-S809 PolarHBondContact O-OG 3.48Å; T481-S809 WeakPolarHBondContact CA-OG 3.44Å; T481-S809 PolarHBondContact N-OG 3.29Å; S809-R811 VanDerWaalsContact C-N 3.35Å; S809-T812 PolarHBondContact O-N 3.11Å; S809-I813 WeakPolarHBondContact O-CB 3.29Å; S809-I813 WeakPolarHBondContact O-CG1 3.2Å; S809-I813 PolarHBondContact O-N 3.47Å
810D98Very high97.9Very high1 Ų120.6 Ų20.61%0.0059%0.091CC..Hα-helixtrans-73.8-27.6175-53.6-39.1000112.4S144 L148 R483 S808 R814S144-D810 WeakPolarHBondContact CA-OD1 3.07Å; S144-D810 WeakPolarHBondContact CB-OD1 3.42Å; S144-D810 PolarHBondContact OG-N 2.92Å; S144-D810 PolarHBondContact OG-OD1 2.79Å; L148-D810 HydrophobicContact CD1-CB 4.39Å; R483-D810 IonicContact CZ-OD1 2.69Å; R483-D810 IonicContact CZ-OD2 3.58Å; R483-D810 IonicContact NH1-OD1 3.64Å; R483-D810 IonicContact NH1-OD2 3.74Å; R483-D810 PolarHBondContact NH1-OD2 2.66Å; R483-D810 IonicContact NH2-OD1 3.54Å; R483-D810 PolarHBondContact NH2-OD1 2.95Å; R483-D810 IonicContact NH2-OD2 2.71Å; R483-D810 PolarHBondContact NH2-OD2 2.75Å; S808-D810 PolarHBondContact O-N 2.81Å; S808-D810 WeakPolarHBondContact OG-CB 3.26Å; S808-D810 PolarHBondContact OG-N 3.03Å; S808-D810 PolarHBondContact OG-OD2 2.88Å; D810-R814 VanDerWaalsContact O-CB 3.22Å; D810-R814 WeakPolarHBondContact O-CB 3.24Å; D810-R814 PolarHBondContact O-N 3.32Å; D810-R814 PolarHBondContact O-NH1 3.32Å
811R97.2Very high97.9Very high37 Ų3720.6 Ų20.614%0.149%0.091CC..Hα-helixtrans-68.8-55.4167.4176.6-135.454.5168.1-22.7108.8T477 N478 K806 S808 S809 I813 R814 E815T477-R811 PolarHBondContact O-NH2 3.48Å; N478-R811 PolarHBondContact O-NH2 2.96Å; K806-R811 WeakPolarHBondContact O-CD 3.33Å; K806-R811 PolarHBondContact O-NE 2.68Å; K806-R811 PolarHBondContact O-NH2 3.37Å; S808-R811 WeakPolarHBondContact O-CB 3.42Å; S808-R811 PolarHBondContact O-N 3.03Å; S809-R811 VanDerWaalsContact C-N 3.35Å; R811-I813 VanDerWaalsContact C-N 3.34Å; R811-I813 PolarHBondContact O-N 3.12Å; R811-R814 WeakPolarHBondContact O-CB 3.25Å; R811-R814 PolarHBondContact O-N 2.83Å; R811-E815 WeakPolarHBondContact CD-OE1 3.46Å; R811-E815 HydrophobicContact CG-CG 4.45Å; R811-E815 VanDerWaalsContact CG-OE1 3.25Å; R811-E815 WeakPolarHBondContact CG-OE1 3.3Å; R811-E815 IonicContact NE-OE1 2.78Å; R811-E815 IonicContact NE-OE2 2.94Å; R811-E815 WeakPolarHBondContact O-CG 3.27Å; R811-E815 PolarHBondContact O-N 3.3Å
812T97.7Very high97.8Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-54.8-47.3-178.2-52.60000111.9F141 K476 T477 S808 S809 R814 E815 Y816F141-T812 HydrophobicContact CE1-CG2 3.89Å; F141-T812 HydrophobicContact CZ-CG2 3.59Å; K476-T812 HydrophobicContact CB-CG2 4.43Å; T477-T812 WeakPolarHBondContact O-CG2 3.33Å; T477-T812 PolarHBondContact O-OG1 3.49Å; S808-T812 PolarHBondContact O-N 2.58Å; S808-T812 PolarHBondContact O-OG1 2.89Å; S809-T812 PolarHBondContact O-N 3.11Å; T812-R814 PolarHBondContact O-N 3.27Å; T812-E815 PolarHBondContact O-N 3Å; T812-Y816 HydrophobicContact CG2-CD2 3.76Å; T812-Y816 HydrophobicContact CG2-CE2 3.63Å; T812-Y816 WeakPolarHBondContact O-CD2 3.32Å; T812-Y816 PolarHBondContact O-N 3.17Å
813I98.1Very high97.7Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-68-33178.7-70.1-51.7000113.2F141 M145 L148 L150 S809 R811 E815 Y816 A817 W821F141-I813 HydrophobicContact CB-CD1 3.83Å; F141-I813 HydrophobicContact CB-CG1 4.24Å; F141-I813 HydrophobicContact CD1-CD1 3.89Å; F141-I813 HydrophobicContact CD1-CG1 4.02Å; F141-I813 HydrophobicContact CD2-CD1 3.69Å; F141-I813 HydrophobicContact CE1-CD1 4.35Å; F141-I813 HydrophobicContact CE2-CD1 4.18Å; F141-I813 HydrophobicContact CG-CD1 3.54Å; F141-I813 HydrophobicContact CG-CG1 4.07Å; F141-I813 HydrophobicContact CZ-CD1 4.48Å; M145-I813 HydrophobicContact CB-CG2 4.44Å; M145-I813 HydrophobicContact CG-CD1 4.3Å; M145-I813 HydrophobicContact CG-CG1 4.33Å; M145-I813 HydrophobicContact CG-CG2 3.52Å; L148-I813 HydrophobicContact CD1-CB 3.9Å; L148-I813 HydrophobicContact CD1-CG2 3.6Å; L150-I813 HydrophobicContact CD1-CG2 3.59Å; S809-I813 WeakPolarHBondContact O-CB 3.29Å; S809-I813 WeakPolarHBondContact O-CG1 3.2Å; S809-I813 PolarHBondContact O-N 3.47Å; R811-I813 VanDerWaalsContact C-N 3.34Å; R811-I813 PolarHBondContact O-N 3.12Å; I813-E815 VanDerWaalsContact C-N 3.29Å; I813-E815 PolarHBondContact O-N 2.84Å; I813-Y816 PolarHBondContact O-N 2.97Å; I813-A817 WeakPolarHBondContact O-CB 3.41Å; I813-A817 PolarHBondContact O-N 2.89Å; I813-W821 HydrophobicContact CD1-CH2 3.89Å; I813-W821 HydrophobicContact CD1-CZ3 4.43Å; I813-W821 HydrophobicContact CG2-CZ3 4.42Å
814R97.8Very high97.4Very high75 Ų7529.9 Ų29.928%0.28315%0.152SC..Hα-helixtrans-65-34.5172.6170.2176.7-68.4106.9-13.9112.2L148 D810 R811 T812 R818 P825L148-R814 HydrophobicContact CD1-CB 4.47Å; D810-R814 VanDerWaalsContact O-CB 3.22Å; D810-R814 WeakPolarHBondContact O-CB 3.24Å; D810-R814 PolarHBondContact O-N 3.32Å; D810-R814 PolarHBondContact O-NH1 3.32Å; R811-R814 WeakPolarHBondContact O-CB 3.25Å; R811-R814 PolarHBondContact O-N 2.83Å; T812-R814 PolarHBondContact O-N 3.27Å; R814-R818 WeakPolarHBondContact O-CG 3.26Å; R814-R818 PolarHBondContact O-N 3.08Å; R814-P825 HydrophobicContact CB-CG 4.07Å; R814-P825 HydrophobicContact CG-CG 4.05Å
815E97.8Very high97.2Very high56 Ų5630.9 Ų30.926%0.26216%0.158SC..Hα-helixtrans-76-42.1175.8-61.8168.2173.300112K476 R811 T812 I813 R818 D819K476-E815 HydrophobicContact CD-CB 3.36Å; K476-E815 HydrophobicContact CD-CG 4.41Å; K476-E815 WeakPolarHBondContact CE-O 3.25Å; R811-E815 WeakPolarHBondContact CD-OE1 3.46Å; R811-E815 HydrophobicContact CG-CG 4.45Å; R811-E815 VanDerWaalsContact CG-OE1 3.25Å; R811-E815 WeakPolarHBondContact CG-OE1 3.3Å; R811-E815 IonicContact NE-OE1 2.78Å; R811-E815 IonicContact NE-OE2 2.94Å; R811-E815 WeakPolarHBondContact O-CG 3.27Å; R811-E815 PolarHBondContact O-N 3.3Å; T812-E815 PolarHBondContact O-N 3Å; I813-E815 VanDerWaalsContact C-N 3.29Å; I813-E815 PolarHBondContact O-N 2.84Å; E815-R818 PolarHBondContact O-N 3.16Å; E815-D819 WeakPolarHBondContact O-CB 3.46Å; E815-D819 PolarHBondContact O-N 3.29Å
816Y98.5Very high96.5Very high0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-59.3-44.6171.6-93.4-107.9000111.8F141 Q330 T369 N447 K476 T812 I813 R818 I820 W821F141-Y816 HydrophobicContact CE2-CE2 4.31Å; F141-Y816 HydrophobicContact CZ-CE2 4.41Å; Q330-Y816 HydrophobicContact CG-CE1 4.36Å; T369-Y816 WeakPolarHBondContact CG2-OH 3.36Å; T369-Y816 WeakPolarHBondContact OG1-CE1 3.39Å; T369-Y816 PolarHBondContact OG1-OH 2.9Å; N447-Y816 PolarHBondContact ND2-OH 3.09Å; K476-Y816 HydrophobicContact CB-CD2 3.77Å; K476-Y816 HydrophobicContact CB-CE2 3.42Å; K476-Y816 VanDerWaalsContact CB-CE2 3.42Å; K476-Y816 HydrophobicContact CD-CD2 4.33Å; K476-Y816 HydrophobicContact CG-CD2 3.88Å; K476-Y816 HydrophobicContact CG-CE2 3.9Å; T812-Y816 HydrophobicContact CG2-CD2 3.76Å; T812-Y816 HydrophobicContact CG2-CE2 3.63Å; T812-Y816 WeakPolarHBondContact O-CD2 3.32Å; T812-Y816 PolarHBondContact O-N 3.17Å; I813-Y816 PolarHBondContact O-N 2.97Å; Y816-R818 VanDerWaalsContact C-N 3.31Å; Y816-R818 PolarHBondContact O-N 3.43Å; Y816-I820 HydrophobicContact CD1-CD1 3.65Å; Y816-I820 HydrophobicContact CD2-CD1 4.39Å; Y816-I820 HydrophobicContact CE1-CD1 3.87Å; Y816-I820 HydrophobicContact CG-CD1 3.95Å; Y816-I820 WeakPolarHBondContact O-CA 3.46Å; Y816-I820 VanDerWaalsContact O-CB 3.28Å; Y816-I820 WeakPolarHBondContact O-CB 3.28Å; Y816-I820 PolarHBondContact O-N 3.02Å; Y816-I820 VanDerWaalsContact O-N 3.09Å; Y816-W821 AromaticContact CD1-CE2 3.86Å; Y816-W821 HydrophobicContact CD1-CH2 4.16Å; Y816-W821 AromaticContact CD1-CZ2 3.5Å; Y816-W821 HydrophobicContact CD1-CZ2 3.5Å; Y816-W821 VanDerWaalsContact CD1-CZ2 3.5Å; Y816-W821 HydrophobicContact CE1-CZ2 4.38Å; Y816-W821 HydrophobicContact CG-CH2 4.37Å; Y816-W821 HydrophobicContact CG-CZ2 4.12Å; Y816-W821 PolarHBondContact O-N 2.9Å
817A98.3Very high95.7Very high0 Ų037.6 Ų37.60%020%0.203CC..Iπ-helixtrans-53.1-49.6178.600000111.4L150 I813 W821 G822 V823 P825L150-A817 HydrophobicContact CD1-CB 4Å; L150-A817 HydrophobicContact CD2-CB 4.35Å; I813-A817 WeakPolarHBondContact O-CB 3.41Å; I813-A817 PolarHBondContact O-N 2.89Å; A817-W821 HydrophobicContact CB-CE3 4.36Å; A817-W821 CarbonylContact O-C 3.52Å; A817-G822 PolarHBondContact O-N 3.35Å; A817-V823 CarbonylContact C-O 3.6Å; A817-V823 HydrophobicContact CB-CG2 3.83Å; A817-V823 WeakPolarHBondContact CB-O 3.06Å; A817-V823 PolarHBondContact O-N 3.48Å; A817-P825 HydrophobicContact CB-CG 3.89Å
818R97.4Very high94.9Very high119 Ų11942.3 Ų42.345%0.44923%0.227SC..Iπ-helixtrans-74.3-58.6-178.9-69.2175.1171.6164.20.8112.9R814 E815 Y816 I820 V823 E824R814-R818 WeakPolarHBondContact O-CG 3.26Å; R814-R818 PolarHBondContact O-N 3.08Å; E815-R818 PolarHBondContact O-N 3.16Å; Y816-R818 VanDerWaalsContact C-N 3.31Å; Y816-R818 PolarHBondContact O-N 3.43Å; R818-I820 PolarHBondContact O-N 2.89Å; R818-V823 PolarHBondContact N-O 3.38Å; R818-E824 WeakPolarHBondContact CG-OE1 3.35Å; R818-E824 IonicContact CZ-OE1 2.99Å; R818-E824 IonicContact CZ-OE2 3.22Å; R818-E824 VanDerWaalsContact CZ-OE2 3.26Å; R818-E824 VanDerWaalsContact NE-CD 3.27Å; R818-E824 IonicContact NE-OE1 2.92Å; R818-E824 PolarHBondContact NE-OE1 3.29Å; R818-E824 IonicContact NE-OE2 2.77Å; R818-E824 PolarHBondContact NE-OE2 3.11Å; R818-E824 IonicContact NH2-OE1 2.73Å; R818-E824 IonicContact NH2-OE2 2.69Å; R818-E824 PolarHBondContact NH2-OE2 3.27Å
819D97.1Very high94.4Very high88 Ų8848.2 Ų48.247%0.47125%0.253SS..Iπ-helixtrans-88.2-7-162.7-55-4.5000113.5Q474 K476 E815Q474-D819 PolarHBondContact NE2-O 2.86Å; Q474-D819 VanDerWaalsContact NE2-O 3.12Å; K476-D819 WeakPolarHBondContact CE-OD2 3.09Å; K476-D819 IonicContact NZ-OD2 3.73Å; K476-D819 PolarHBondContact NZ-OD2 3.49Å; E815-D819 WeakPolarHBondContact O-CB 3.46Å; E815-D819 PolarHBondContact O-N 3.29Å
820I97.8Very high94Very high3 Ų348.8 Ų48.82%0.01526%0.256CS..Iπ-helixtrans-128.2-50.4-175.2-54.3-170.6000111A367 H444 N447 Q474 K476 Y816 R818A367-I820 HydrophobicContact CB-CG2 3.26Å; H444-I820 PolarHBondContact CE1-O 3.04Å; H444-I820 PolarHBondContact NE2-O 3.34Å; N447-I820 HydrophobicContact CB-CD1 4.15Å; Q474-I820 HydrophobicContact CG-CD1 4.49Å; K476-I820 HydrophobicContact CG-CD1 4.03Å; Y816-I820 HydrophobicContact CD1-CD1 3.65Å; Y816-I820 HydrophobicContact CD2-CD1 4.39Å; Y816-I820 HydrophobicContact CE1-CD1 3.87Å; Y816-I820 HydrophobicContact CG-CD1 3.95Å; Y816-I820 WeakPolarHBondContact O-CA 3.46Å; Y816-I820 VanDerWaalsContact O-CB 3.28Å; Y816-I820 WeakPolarHBondContact O-CB 3.28Å; Y816-I820 PolarHBondContact O-N 3.02Å; Y816-I820 VanDerWaalsContact O-N 3.09Å; R818-I820 PolarHBondContact O-N 2.89Å
821W98.1Very high93.5Very high1 Ų150 Ų500%0.00426%0.264CS..Iπ-helixtrans-94-20.1-172.8-54.3-27.9000114.3K78 I80 Y82 M145 A328 Q330 I813 Y816 A817 V823K78-W821 WeakPolarHBondContact CE-O 3.35Å; K78-W821 PolarHBondContact NZ-O 2.72Å; I80-W821 HydrophobicContact CB-CE3 4.36Å; I80-W821 HydrophobicContact CG1-CD2 4.21Å; I80-W821 HydrophobicContact CG1-CE3 3.75Å; I80-W821 HydrophobicContact CG1-CZ3 4.3Å; I80-W821 HydrophobicContact CG2-CD2 3.69Å; I80-W821 HydrophobicContact CG2-CE3 3.64Å; I80-W821 HydrophobicContact CG2-CG 4.37Å; I80-W821 HydrophobicContact CG2-CH2 3.9Å; I80-W821 HydrophobicContact CG2-CZ2 3.95Å; I80-W821 HydrophobicContact CG2-CZ3 3.75Å; Y82-W821 HydrophobicContact CD2-CZ2 4.29Å; M145-W821 HydrophobicContact CG-CH2 4.48Å; M145-W821 HydrophobicContact CG-CZ3 4.27Å; M145-W821 HydrophobicContact SD-CH2 3.68Å; M145-W821 HydrophobicContact SD-CZ3 3.73Å; A328-W821 HydrophobicContact CB-CB 4.01Å; A328-W821 HydrophobicContact CB-CG 4.19Å; Q330-W821 HydrophobicContact CB-CZ2 4.08Å; Q330-W821 HydrophobicContact CG-CZ2 4.15Å; I813-W821 HydrophobicContact CD1-CH2 3.89Å; I813-W821 HydrophobicContact CD1-CZ3 4.43Å; I813-W821 HydrophobicContact CG2-CZ3 4.42Å; Y816-W821 AromaticContact CD1-CE2 3.86Å; Y816-W821 HydrophobicContact CD1-CH2 4.16Å; Y816-W821 AromaticContact CD1-CZ2 3.5Å; Y816-W821 HydrophobicContact CD1-CZ2 3.5Å; Y816-W821 VanDerWaalsContact CD1-CZ2 3.5Å; Y816-W821 HydrophobicContact CE1-CZ2 4.38Å; Y816-W821 HydrophobicContact CG-CH2 4.37Å; Y816-W821 HydrophobicContact CG-CZ2 4.12Å; Y816-W821 PolarHBondContact O-N 2.9Å; A817-W821 HydrophobicContact CB-CE3 4.36Å; A817-W821 CarbonylContact O-C 3.52Å; W821-V823 HydrophobicContact CB-CG2 4.15Å
822G96.4Very high93Very high62 Ų6249 Ų4964%0.63926%0.262SS*.  trans72.142.8-17900000113.3A817A817-G822 PolarHBondContact O-N 3.35Å
823V96.5Very high92.4Very high23 Ų2349.1 Ų49.114%0.13926%0.262CS..  trans-136.3146.1-179.7-57.80000111K78 I80 L150 A817 R818 W821K78-V823 HydrophobicContact CB-CG1 3.78Å; K78-V823 HydrophobicContact CD-CG1 3.88Å; K78-V823 HydrophobicContact CG-CG1 3.99Å; I80-V823 HydrophobicContact CD1-CG2 4.23Å; I80-V823 HydrophobicContact CG1-CG2 4.4Å; L150-V823 HydrophobicContact CD2-CG2 3.89Å; A817-V823 CarbonylContact C-O 3.6Å; A817-V823 HydrophobicContact CB-CG2 3.83Å; A817-V823 WeakPolarHBondContact CB-O 3.06Å; A817-V823 PolarHBondContact O-N 3.48Å; R818-V823 PolarHBondContact N-O 3.38Å; W821-V823 HydrophobicContact CB-CG2 4.15Å
824E94Very high91.6Very high118 Ų11852.3 Ų52.355%0.55128%0.276SS*.  trans-94.8131.7174.4-82.7-64.7152.900111.6R818R818-E824 WeakPolarHBondContact CG-OE1 3.35Å; R818-E824 IonicContact CZ-OE1 2.99Å; R818-E824 IonicContact CZ-OE2 3.22Å; R818-E824 VanDerWaalsContact CZ-OE2 3.26Å; R818-E824 VanDerWaalsContact NE-CD 3.27Å; R818-E824 IonicContact NE-OE1 2.92Å; R818-E824 PolarHBondContact NE-OE1 3.29Å; R818-E824 IonicContact NE-OE2 2.77Å; R818-E824 PolarHBondContact NE-OE2 3.11Å; R818-E824 IonicContact NH2-OE1 2.73Å; R818-E824 IonicContact NH2-OE2 2.69Å; R818-E824 PolarHBondContact NH2-OE2 3.27Å
825P92.2Very high90.9Very high22 Ų2253.1 Ų53.114%0.14328%0.284CS..  trans-56.3143.5166.5-30.540.3000113.4L148 L150 R814 A817L148-P825 HydrophobicContact CB-CB 4.22Å; L148-P825 HydrophobicContact CD2-CB 4.29Å; L150-P825 HydrophobicContact CD2-CG 4.47Å; R814-P825 HydrophobicContact CB-CG 4.07Å; R814-P825 HydrophobicContact CG-CG 4.05Å; A817-P825 HydrophobicContact CB-CG 3.89Å
826S83.9Confident89.6Confident37 Ų3755.2 Ų55.226%0.25930%0.302SS..  trans-104.2136.6-175.7-176.90000112L148 I828L148-S826 PolarHBondContact O-N 2.8Å; S826-I828 WeakPolarHBondContact OG-CB 3.44Å; S826-I828 WeakPolarHBondContact OG-CG1 3.36Å; S826-I828 PolarHBondContact OG-N 3.23Å; S826-I828 VanDerWaalsContact OG-N 3.1Å
827T79Confident88.1Confident144 Ų14456.6 Ų56.688%0.88331%0.313SS*.  trans-93.42.8167.3520000112.7K829T827-K829 PolarHBondContact O-N 2.89Å; T827-K829 VanDerWaalsContact O-N 3.17Å
828I81Confident86.3Confident99 Ų9962.2 Ų62.251%0.50834%0.342SS..  trans-72.3109.7-178.5-57.7171.3000109.6S826S826-I828 WeakPolarHBondContact OG-CB 3.44Å; S826-I828 WeakPolarHBondContact OG-CG1 3.36Å; S826-I828 PolarHBondContact OG-N 3.23Å; S826-I828 VanDerWaalsContact OG-N 3.1Å
829K87.5Confident84.4Confident127 Ų12762.8 Ų62.855%0.55235%0.35SS*.PPolyproline II helixtrans-74.3124.7164.1174.4161.6178.71580109.6R233 N234 T827R233-K829 WeakPolarHBondContact O-CD 3.36Å; R233-K829 WeakPolarHBondContact O-CE 3.48Å; R233-K829 PolarHBondContact O-NZ 3.26Å; N234-K829 WeakPolarHBondContact O-CA 3.3Å; T827-K829 PolarHBondContact O-N 2.89Å; T827-K829 VanDerWaalsContact O-N 3.17Å
830L90Very high82.2Confident13 Ų1365.6 Ų65.67%0.06836%0.358CS..PPolyproline II helixtrans-73.2147.9173.4-62.5-179.4000110F71 N234 N235F71-L830 HydrophobicContact CB-CD2 4.49Å; F71-L830 HydrophobicContact CD1-CD2 4.13Å; F71-L830 HydrophobicContact CD2-CD2 3.95Å; F71-L830 HydrophobicContact CE1-CD2 4.33Å; F71-L830 HydrophobicContact CE2-CD2 4.14Å; F71-L830 HydrophobicContact CG-CD2 3.94Å; F71-L830 HydrophobicContact CZ-CD2 4.33Å; N234-L830 PolarHBondContact O-N 3.04Å; N235-L830 HydrophobicContact CB-CB 4.12Å; N235-L830 WeakPolarHBondContact CB-O 3.13Å; N235-L830 PolarHBondContact ND2-O 3.29Å
831P88.4Confident79.3Confident26 Ų2678.8 Ų78.817%0.16942%0.415CS..PPolyproline II helixtrans-66.3134.817726.3-33.9000110.9R67 E835 I838R67-P831 PolarHBondContact NH1-O 3.41Å; P831-E835 HydrophobicContact CB-CB 4.45Å; P831-I838 HydrophobicContact CG-CG1 4.35Å
832P85.9Confident78.4Confident16 Ų1682.7 Ų82.710%0.10444%0.436CS..PPolyproline II helixtrans-61156.5-176.528.4-36.8000111.8R67 F834 E835R67-P832 PolarHBondContact NH1-O 3.2Å; P832-F834 VanDerWaalsContact C-N 3.26Å; P832-F834 HydrophobicContact CB-CD1 4.39Å; P832-F834 HydrophobicContact CB-CE1 3.79Å; P832-F834 HydrophobicContact CB-CE2 4.14Å; P832-F834 HydrophobicContact CB-CZ 3.65Å; P832-F834 HydrophobicContact CG-CD2 4.36Å; P832-F834 HydrophobicContact CG-CE1 4.23Å; P832-F834 HydrophobicContact CG-CE2 3.65Å; P832-F834 HydrophobicContact CG-CZ 3.58Å; P832-F834 PolarHBondContact O-N 3.03Å; P832-E835 WeakPolarHBondContact CD-OE2 3.47Å; P832-E835 HydrophobicContact CG-CB 4.23Å; P832-E835 VanDerWaalsContact CG-CD 3.46Å; P832-E835 HydrophobicContact CG-CG 3.99Å; P832-E835 VanDerWaalsContact CG-OE1 3.23Å; P832-E835 WeakPolarHBondContact CG-OE1 3.37Å; P832-E835 PolarHBondContact O-N 3.01Å
833P85.1Confident77.4Confident2 Ų283.8 Ų83.81%0.01343%0.425CS..THydrogen-bonded Turntrans-65.8-20.8-160.8-24.335.4000117.2A17 S63 R64 R67A17-P833 HydrophobicContact CB-CB 3.65Å; S63-P833 VanDerWaalsContact CB-CB 3.47Å; R64-P833 HydrophobicContact CB-CG 4.43Å; R64-P833 HydrophobicContact CG-CG 3.49Å; R64-P833 VanDerWaalsContact CG-CG 3.49Å; R67-P833 PolarHBondContact NH2-O 3.13Å
834F81.5Confident76.4Confident67 Ų6787.2 Ų87.229%0.29444%0.441SS..THydrogen-bonded Turntrans-79-27.8174.349.5-100000113.7A17 Q18 L19 P832A17-F834 WeakPolarHBondContact O-CB 3.25Å; Q18-F834 WeakPolarHBondContact O-CD1 3.23Å; L19-F834 HydrophobicContact CD2-CD1 4.28Å; L19-F834 HydrophobicContact CD2-CD2 3.63Å; L19-F834 HydrophobicContact CD2-CE1 4.37Å; L19-F834 HydrophobicContact CD2-CE2 3.75Å; L19-F834 HydrophobicContact CD2-CG 3.92Å; L19-F834 HydrophobicContact CD2-CZ 4.12Å; P832-F834 VanDerWaalsContact C-N 3.26Å; P832-F834 HydrophobicContact CB-CD1 4.39Å; P832-F834 HydrophobicContact CB-CE1 3.79Å; P832-F834 HydrophobicContact CB-CE2 4.14Å; P832-F834 HydrophobicContact CB-CZ 3.65Å; P832-F834 HydrophobicContact CG-CD2 4.36Å; P832-F834 HydrophobicContact CG-CE1 4.23Å; P832-F834 HydrophobicContact CG-CE2 3.65Å; P832-F834 HydrophobicContact CG-CZ 3.58Å; P832-F834 PolarHBondContact O-N 3.03Å
835E82.3Confident75.3Confident93 Ų9385.4 Ų85.444%0.43544%0.435SS..SBendtrans-77.5146175.7-78.7171.8-144.900111.4R67 P831 P832 A837R67-E835 PolarHBondContact NH1-O 3.46Å; R67-E835 PolarHBondContact NH2-O 2.94Å; P831-E835 HydrophobicContact CB-CB 4.45Å; P832-E835 WeakPolarHBondContact CD-OE2 3.47Å; P832-E835 HydrophobicContact CG-CB 4.23Å; P832-E835 VanDerWaalsContact CG-CD 3.46Å; P832-E835 HydrophobicContact CG-CG 3.99Å; P832-E835 VanDerWaalsContact CG-OE1 3.23Å; P832-E835 WeakPolarHBondContact CG-OE1 3.37Å; P832-E835 PolarHBondContact O-N 3.01Å; E835-A837 PolarHBondContact O-N 2.64Å
836P70.5Confident74.3Confident99 Ų9989.3 Ų89.364%0.64345%0.453SS*.PPolyproline II helixtrans-58.2135.9175.425.6-34.1000111.5
837A67.2Low73.6Confident29 Ų2992.8 Ų92.824%0.2447%0.466CS..PPolyproline II helixtrans-64.9139.5175.600000110.7E835 E839E835-A837 PolarHBondContact O-N 2.64Å; A837-E839 PolarHBondContact O-N 2.76Å
838I60.6Low73.3Confident119 Ų11989.1 Ų89.161%0.6144%0.436SS*.  trans-64.2104.6176.8-59.3169.4000109.1R74 P831R74-I838 PolarHBondContact NH1-O 3.26Å; P831-I838 HydrophobicContact CG-CG1 4.35Å
839E57.1Low72.7Confident131 Ų13188.4 Ų88.461%0.61243%0.43SS*.  trans-80.7112.4166.5-70.6172.2-149.400107.6R14 A837 K841R14-E839 IonicContact CZ-OE1 3.07Å; R14-E839 VanDerWaalsContact CZ-OE1 3.24Å; R14-E839 IonicContact NH1-OE1 2.68Å; R14-E839 PolarHBondContact NH1-OE1 3.46Å; R14-E839 IonicContact NH2-OE1 3.85Å; R14-E839 PolarHBondContact NH2-OE1 2.87Å; A837-E839 PolarHBondContact O-N 2.76Å; E839-K841 PolarHBondContact O-N 3.5Å
840K52.2Low71.4Confident146 Ų14685.2 Ų85.264%0.63542%0.42SS*.  trans-62.9131.3162.3-73.6176.1174.3173.20107.1E75E75-K840 IonicContact OE1-NZ 2.79Å; E75-K840 IonicContact OE2-NZ 3.18Å; E75-K840 PolarHBondContact OE2-NZ 3.26Å
841K36.6Very low69.8Low281 Ų28191.7 Ų91.7100%1.22245%0.452SS*.  trans-71.10166.4-79-175.6171.5-177.70110.7E839E839-K841 PolarHBondContact O-N 3.5Å

Retrieved 841 of 841 residues in 1738.8 ms (Link to these results)

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