A0A060WNN7_ONCMY Loading...

B-cell CLL/lymphoma 7 protein family member A

AlphaFold DB (A0A674EQK6), UniProt , Accession A0A060WNN7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene BCL7A, Length 209 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
1M58.2Low64.2Low247 Ų247136.5 Ų136.5100%1.21773%0.726SS**  093.70-67.8159.670.500108.9
2S64.1Low65.3Low135 Ų135129.5 Ų129.594%0.94470%0.696SS**  trans-156.2105.7171.8-164.30000109.9
3G63.2Low66.9Low62 Ų62132.4 Ų132.464%0.63969%0.691SS**  trans-167.68.7179.900000113.7
4R63.2Low68.3Low236 Ų236127.1 Ų127.189%0.89168%0.676SS**SBendtrans-87.7-16-175.7-70.1-175.4165.8-162-3.3113.8
5S62Low69.7Low95 Ų95128.1 Ų128.166%0.66467%0.672SS**SBendtrans-76.9-40.1-172.7177.10000113.8R7 A8S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.15Å; S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 VanDerWaalsContact O-N 3.1Å
6V62.7Low71.2Confident114 Ų114124.8 Ų124.869%0.69166%0.655SS**Hα-helixtrans-63.3-28.3-175.7-1710000112.9T10V6-T10 PolarHBondContact O-OG1 3.33Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å
7R61.3Low72.4Confident172 Ų172122.3 Ų122.365%0.64964%0.643SS**Hα-helixtrans-77.1-22.9-179.6-165.1178.4-173.7-158.21.5113.4S5 T10S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.15Å; R7-T10 PolarHBondContact O-OG1 3.39Å
8A66.9Low73.7Confident68 Ų68121 Ų12156%0.56264%0.635SS**Hα-helixtrans-77.6-40.9178.800000111.1S5 R11S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 VanDerWaalsContact O-N 3.1Å; A8-R11 PolarHBondContact O-N 3.43Å
9E66.3Low74.8Confident121 Ų121121.9 Ų121.957%0.56563%0.634SS**Hα-helixtrans-70-34.2-177.3-168.1175.2122.300113.3R11 S12 R13E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.98Å; E9-S12 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 2.77Å; E9-R13 IonicContact OE1-NH1 3.49Å; E9-R13 PolarHBondContact OE1-NH1 2.8Å
10T67.2Low75.9Confident91 Ų91124.2 Ų124.256%0.55863%0.633SS**Hα-helixtrans-69.7-22.5179.540.30000113.4V6 R7V6-T10 PolarHBondContact O-OG1 3.33Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å; R7-T10 PolarHBondContact O-OG1 3.39Å
11R70.8Confident76.9Confident160 Ų160121.9 Ų121.960%0.60463%0.625SS**Hα-helixtrans-83.3-23.8-179.6-71.8-178.7175.3-113-7.3113.9A8 E9A8-R11 PolarHBondContact O-N 3.43Å; E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.98Å
12S77.9Confident78.7Confident53 Ų53115.3 Ų115.337%0.37159%0.593SS.*Hα-helixtrans-75.5-45.3176.655.30000111.5E9 A14 K15 D16E9-S12 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 2.77Å; S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.36Å; S12-K15 PolarHBondContact O-N 2.67Å; S12-D16 PolarHBondContact O-N 2.74Å; S12-D16 VanDerWaalsContact O-OD2 3.14Å
13R85.4Confident80.1Confident167 Ų167111 Ų11163%0.6357%0.565SS**Hα-helixtrans-49.9-49.4179.3-120.285.5175.7-152.42.2112.8E9 K15 D16 D17E9-R13 IonicContact OE1-NH1 3.49Å; E9-R13 PolarHBondContact OE1-NH1 2.8Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.67Å; R13-D16 PolarHBondContact O-N 2.9Å; R13-D17 WeakPolarHBondContact O-CB 3.03Å; R13-D17 PolarHBondContact O-N 3.43Å
14A87.1Confident81.6Confident58 Ų58110.4 Ų110.448%0.47955%0.554SS.*Hα-helixtrans-62.4-39.5-179.200000112.1S12 I18S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.36Å; A14-I18 VanDerWaalsContact O-CD1 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 2.91Å
15K88.8Confident83.1Confident143 Ų143101.5 Ų101.562%0.62253%0.526SS*.Hα-helixtrans-71.2-37.4177.3-73.1-177170.3-173.10112.8S12 R13 D17 K19S12-K15 PolarHBondContact O-N 2.67Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.67Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.44Å; K15-K19 VanDerWaalsContact O-N 3.15Å
16D93.5Very high84.5Confident75 Ų75100.8 Ų100.840%0.40152%0.515SS..Hα-helixtrans-70.1-34.1177.7-66.3-42000111.9S12 R13 K19 R20S12-D16 PolarHBondContact O-N 2.74Å; S12-D16 VanDerWaalsContact O-OD2 3.14Å; R13-D16 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact O-N 3.36Å; D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 PolarHBondContact O-N 3.44Å
17D92.9Very high85.8Confident82 Ų82102.6 Ų102.644%0.43951%0.513SS..Hα-helixtrans-64.9-45.1175.3-162.152.6000111.5R13 K15 K19 R20 V21R13-D17 WeakPolarHBondContact O-CB 3.03Å; R13-D17 PolarHBondContact O-N 3.43Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 2.94Å; D17-R20 WeakPolarHBondContact O-CB 3.42Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-NH1 2.77Å; D17-R20 PolarHBondContact OD1-NH1 2.77Å; D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.36Å
18I94.3Very high87.3Confident99 Ų9998.8 Ų98.851%0.50851%0.509SS..Hα-helixtrans-57.2-46.3173.8-67.4156.9000110.9A14 R20 V21 M22A14-I18 VanDerWaalsContact O-CD1 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 2.91Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.77Å; I18-V21 PolarHBondContact O-N 3.14Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 2.92Å
19K95.6Very high88.6Confident139 Ų139103.9 Ų103.960%0.60451%0.514SS*.Hα-helixtrans-62.5-40.6176.5-71.4174.8-174.7170.60112.2K15 D16 D17 M22 A23K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.44Å; K15-K19 VanDerWaalsContact O-N 3.15Å; D16-K19 PolarHBondContact O-N 3.36Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 2.94Å; K19-M22 PolarHBondContact O-N 3.39Å; K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.29Å; K19-A23 PolarHBondContact O-N 3.02Å
20R96.4Very high89.8Confident167 Ų167101.6 Ų101.663%0.6351%0.505SS*.Hα-helixtrans-65.3-42.5178.2-171.3-173.4-62.9134.5-3.2111.2D16 D17 I18 A23 A24D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 PolarHBondContact O-N 3.44Å; D17-R20 WeakPolarHBondContact O-CB 3.42Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-NH1 2.77Å; D17-R20 PolarHBondContact OD1-NH1 2.77Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.77Å; R20-A23 PolarHBondContact O-N 2.9Å; R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.78Å
21V96.5Very high91.1Very high76 Ų76102.6 Ų102.646%0.46150%0.499SS..Hα-helixtrans-61.8-50.9175.2170.60000110D17 I18 A23 A24 V25D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.36Å; I18-V21 PolarHBondContact O-N 3.14Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.05Å; V21-A24 PolarHBondContact O-N 3.29Å; V21-A24 VanDerWaalsContact O-N 3.11Å; V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.19Å; V21-V25 PolarHBondContact O-N 3.47Å
22M96.2Very high92.3Very high108 Ų10898.3 Ų98.353%0.53249%0.486SS..Hα-helixtrans-56.1-48.4177.1-67.8-63.8176.200111.3I18 K19 A24 V25 D26I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 2.92Å; K19-M22 PolarHBondContact O-N 3.39Å; M22-A24 VanDerWaalsContact C-N 3.33Å; M22-A24 PolarHBondContact O-N 3.17Å; M22-V25 PolarHBondContact O-N 3.3Å; M22-D26 WeakPolarHBondContact O-CB 3.44Å; M22-D26 VanDerWaalsContact O-CG 3.23Å; M22-D26 PolarHBondContact O-N 3.08Å
23A94.1Very high93.2Very high45 Ų45101.2 Ų101.237%0.37249%0.492SS..Hα-helixtrans-62.9-35.9177.500000113.3K19 R20 V21 K27K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.29Å; K19-A23 PolarHBondContact O-N 3.02Å; R20-A23 PolarHBondContact O-N 2.9Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.05Å; A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.37Å; A23-K27 PolarHBondContact O-N 3.34Å
24A93.6Very high93.6Very high49 Ų4997.9 Ų97.941%0.40548%0.482SS..Hα-helixtrans-69.2-40.6175.700000111.6R20 V21 M22 K27 V28R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.78Å; V21-A24 PolarHBondContact O-N 3.29Å; V21-A24 VanDerWaalsContact O-N 3.11Å; M22-A24 VanDerWaalsContact C-N 3.33Å; M22-A24 PolarHBondContact O-N 3.17Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.46Å; A24-V28 PolarHBondContact O-N 3.27Å
25V94.7Very high94.1Very high50 Ų50100.7 Ų100.730%0.30348%0.48SS..Hα-helixtrans-65.9-43.4175.8-1790000110.3V21 M22 K27 V28 R29V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.19Å; V21-V25 PolarHBondContact O-N 3.47Å; M22-V25 PolarHBondContact O-N 3.3Å; V25-K27 VanDerWaalsContact C-N 3.26Å; V25-K27 PolarHBondContact O-N 2.88Å; V25-V28 PolarHBondContact O-N 3.36Å; V25-V28 VanDerWaalsContact O-N 3.08Å; V25-R29 HydrophobicContact CG1-CG 4.16Å; V25-R29 WeakPolarHBondContact O-CB 3.42Å; V25-R29 WeakPolarHBondContact O-CG 3.09Å; V25-R29 PolarHBondContact O-N 3.46Å
26D92.3Very high94.4Very high79 Ų7996.4 Ų96.442%0.42247%0.466SS..Hα-helixtrans-61.7-35176.4-68.1-21.4000111.7M22 V28 R29 N30M22-D26 WeakPolarHBondContact O-CB 3.44Å; M22-D26 VanDerWaalsContact O-CG 3.23Å; M22-D26 PolarHBondContact O-N 3.08Å; D26-V28 PolarHBondContact O-N 2.83Å; D26-R29 IonicContact OD1-NH1 3.28Å; D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.36Å
27K89.7Confident94.6Very high153 Ų15396.5 Ų96.567%0.66547%0.469SS*.Hα-helixtrans-61.8-40.4172.5-75.9170.3-176.1-177.60112.8A23 A24 V25 W31A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.37Å; A23-K27 PolarHBondContact O-N 3.34Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.46Å; V25-K27 VanDerWaalsContact C-N 3.26Å; V25-K27 PolarHBondContact O-N 2.88Å; K27-W31 PolarHBondContact O-NE1 3.11Å; K27-W31 VanDerWaalsContact O-NE1 3.14Å
28V93.3Very high94.7Very high92 Ų9295.6 Ų95.656%0.55847%0.466SS*.Hα-helixtrans-78.6-34.5-179.7176.90000111.7A24 V25 D26 N30 W31A24-V28 PolarHBondContact O-N 3.27Å; V25-V28 PolarHBondContact O-N 3.36Å; V25-V28 VanDerWaalsContact O-N 3.08Å; D26-V28 PolarHBondContact O-N 2.83Å; V28-N30 PolarHBondContact O-N 3.11Å; V28-W31 WeakPolarHBondContact O-CB 3.37Å; V28-W31 PolarHBondContact O-N 3.46Å
29R93.8Very high94.7Very high175 Ų17594.3 Ų94.366%0.6648%0.477SS*.Hα-helixtrans-62.5-26.9176.3-78.5-179.2169.9130.74.6113.2V25 D26 W31V25-R29 HydrophobicContact CG1-CG 4.16Å; V25-R29 WeakPolarHBondContact O-CB 3.42Å; V25-R29 WeakPolarHBondContact O-CG 3.09Å; V25-R29 PolarHBondContact O-N 3.46Å; D26-R29 IonicContact OD1-NH1 3.28Å; R29-W31 VanDerWaalsContact C-N 3.3Å; R29-W31 PolarHBondContact O-N 2.91Å
30N91.4Very high94.6Very high72 Ų7295.6 Ų95.639%0.38549%0.491SS..THydrogen-bonded Turntrans-93.631.7176.8-65.6-50.3000112.2D26 V28 V51D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.36Å; V28-N30 PolarHBondContact O-N 3.11Å; N30-V51 HydrophobicContact CB-CB 4.42Å; N30-V51 WeakPolarHBondContact O-CB 3.41Å; N30-V51 WeakPolarHBondContact O-CG2 3.17Å; N30-V51 PolarHBondContact O-N 2.97Å
31W95.1Very high94.5Very high113 Ų11391 Ų9143%0.42848%0.482SS..EExtended strand (participates in β ladder)trans-90130.9171.3-76.824.1000109.6K27 V28 R29 W48 V49 P50K27-W31 PolarHBondContact O-NE1 3.11Å; K27-W31 VanDerWaalsContact O-NE1 3.14Å; V28-W31 WeakPolarHBondContact O-CB 3.37Å; V28-W31 PolarHBondContact O-N 3.46Å; R29-W31 VanDerWaalsContact C-N 3.3Å; R29-W31 PolarHBondContact O-N 2.91Å; W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.11Å; W31-W48 HydrophobicContact CD2-CB 4.36Å; W31-W48 HydrophobicContact CE3-CB 3.46Å; W31-W48 VanDerWaalsContact CE3-CB 3.46Å; W31-W48 HydrophobicContact CE3-CG 4.42Å; W31-W48 HydrophobicContact CZ3-CB 4.11Å; W31-W48 WeakPolarHBondContact O-CZ3 3.25Å; W31-V49 WeakPolarHBondContact CA-O 3.48Å; W31-P50 HydrophobicContact CZ2-CG 4.45Å
32E95.2Very high94.4Very high70 Ų7093.3 Ų93.333%0.32750%0.501SS..EExtended strand (participates in β ladder)trans-104.9142176.364.4174.6-171.800110.8K34 W48 V49 V51E32-K34 VanDerWaalsContact CD-CE 3.4Å; E32-K34 HydrophobicContact CG-CG 3.79Å; E32-K34 PolarHBondContact O-N 2.85Å; E32-K34 WeakPolarHBondContact OE1-CE 3.43Å; E32-K34 WeakPolarHBondContact OE1-CG 3.26Å; E32-K34 IonicContact OE1-NZ 2.74Å; E32-K34 PolarHBondContact OE1-NZ 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.42Å; E32-K34 IonicContact OE2-NZ 2.67Å; E32-K34 PolarHBondContact OE2-NZ 3.37Å; E32-W48 WeakPolarHBondContact O-CA 3.29Å; E32-V49 HydrophobicContact CG-CG2 4.02Å; E32-V49 PolarHBondContact N-O 3.24Å; E32-V49 WeakPolarHBondContact O-CG2 3.37Å; E32-V49 PolarHBondContact O-N 3.49Å; E32-V51 HydrophobicContact CB-CG2 3.53Å; E32-V51 HydrophobicContact CG-CG2 3.41Å; E32-V51 VanDerWaalsContact CG-CG2 3.41Å
33K96.3Very high94.4Very high113 Ų11393.3 Ų93.349%0.49150%0.503SS..EExtended strand (participates in β ladder)trans-82.6108.6173.6-173.7173.9178.9176.50108.6Y46 W48K33-Y46 HydrophobicContact CD-CD1 4.1Å; K33-Y46 HydrophobicContact CD-CG 4.13Å; K33-Y46 VanDerWaalsContact CE-CD2 3.44Å; K33-Y46 HydrophobicContact CG-CD1 3.55Å; K33-Y46 HydrophobicContact CG-CE1 4.2Å; K33-Y46 HydrophobicContact CG-CG 3.91Å; K33-W48 HydrophobicContact CB-CD2 4.36Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.12Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.9Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å
34K95.7Very high94.4Very high98 Ų9897.7 Ų97.743%0.42651%0.51SS..EExtended strand (participates in β ladder)trans-121.1149.1177.4-69.8-76.917276.40111.4E32 V36 Y46 K47 V49E32-K34 VanDerWaalsContact CD-CE 3.4Å; E32-K34 HydrophobicContact CG-CG 3.79Å; E32-K34 PolarHBondContact O-N 2.85Å; E32-K34 WeakPolarHBondContact OE1-CE 3.43Å; E32-K34 WeakPolarHBondContact OE1-CG 3.26Å; E32-K34 IonicContact OE1-NZ 2.74Å; E32-K34 PolarHBondContact OE1-NZ 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.42Å; E32-K34 IonicContact OE2-NZ 2.67Å; E32-K34 PolarHBondContact OE2-NZ 3.37Å; K34-V36 PolarHBondContact O-N 3.44Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; K34-K47 PolarHBondContact N-O 2.96Å; K34-K47 PolarHBondContact O-N 3.2Å; K34-V49 HydrophobicContact CB-CG2 3.64Å; K34-V49 HydrophobicContact CG-CG2 3.8Å
35W96.3Very high94.6Very high116 Ų11699.6 Ų99.644%0.43951%0.512SS..EExtended strand (participates in β ladder)trans-75.1113.1171.7-75.1115.8000110.2R44 I45 Y46W35-R44 HydrophobicContact CB-CB 4.3Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.95Å; W35-R44 WeakPolarHBondContact CZ3-O 3.48Å; W35-I45 VanDerWaalsContact CE3-C 3.43Å; W35-Y46 AromaticContact CD1-CE1 3.51Å; W35-Y46 AromaticContact CD1-CZ 3.91Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.13Å; W35-Y46 AromaticContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE2 4.05Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.77Å; W35-Y46 AromaticContact CE2-CD1 3.88Å; W35-Y46 AromaticContact CE2-CD2 3.9Å; W35-Y46 AromaticContact CE2-CE1 3.33Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.02Å; W35-Y46 VanDerWaalsContact CE2-OH 3.26Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CE1 4.33Å; W35-Y46 HydrophobicContact CE3-CE2 4.29Å; W35-Y46 AromaticContact CE3-CG 3.89Å; W35-Y46 HydrophobicContact CE3-CG 3.89Å; W35-Y46 AromaticContact CG-CD1 3.99Å; W35-Y46 HydrophobicContact CG-CD1 3.99Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.39Å; W35-Y46 HydrophobicContact CH2-CD2 3.39Å; W35-Y46 AromaticContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CG 4.15Å; W35-Y46 AromaticContact CH2-CZ 3.92Å; W35-Y46 HydrophobicContact CZ2-CD1 4.41Å; W35-Y46 AromaticContact CZ2-CD2 3.57Å; W35-Y46 HydrophobicContact CZ2-CD2 3.57Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CG 4.27Å; W35-Y46 AromaticContact CZ2-CZ 3.15Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.43Å; W35-Y46 AromaticContact CZ3-CD2 3.62Å; W35-Y46 HydrophobicContact CZ3-CD2 3.62Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.23Å; W35-Y46 AromaticContact NE1-CE2 3.95Å; W35-Y46 AromaticContact NE1-CZ 3.11Å; W35-Y46 PolarHBondContact NE1-OH 2.85Å
36V95.7Very high94.7Very high54 Ų54102.5 Ų102.533%0.32752%0.518SS..EExtended strand (participates in β ladder)trans-109.5134.9176.8-178.30000109K34 R44 I45 K47K34-V36 PolarHBondContact O-N 3.44Å; V36-R44 CarbonylContact O-C 3.57Å; V36-R44 WeakPolarHBondContact O-CA 3.39Å; V36-I45 PolarHBondContact N-O 3.2Å; V36-I45 PolarHBondContact O-N 3.23Å; V36-K47 HydrophobicContact CG2-CB 4.09Å
37T97.1Very high94.9Very high76 Ų76104.8 Ų104.847%0.46653%0.525SS..EExtended strand (participates in β ladder)trans-72.9141.6177.8-52.90000111T41 L43T37-T41 WeakPolarHBondContact CG2-O 3.06Å; T37-L43 WeakPolarHBondContact CA-O 3.48Å; T37-L43 WeakPolarHBondContact CG2-O 3.09Å
38V96.3Very high95.3Very high63 Ų63104.7 Ų104.738%0.38252%0.52SS..  trans-99.4114.4-178.8-174.40000110.3T41 L43 I45V38-T41 PolarHBondContact O-N 2.85Å; V38-T41 PolarHBondContact O-OG1 2.84Å; V38-L43 PolarHBondContact N-O 3.32Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.4Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; V38-I45 VanDerWaalsContact CG2-CG1 3.5Å
39G93.2Very high95.3Very high72 Ų72102.2 Ų102.274%0.74251%0.505SS*.THydrogen-bonded Turntrans62.2-137.317800000112.2
40D93.8Very high95.3Very high166 Ų16697.6 Ų97.689%0.88850%0.498SS*.THydrogen-bonded Turntrans-94.75.2176.860.2-28.8000113.4
41T94.3Very high95.3Very high71 Ų7196.6 Ų96.644%0.43649%0.494SS..SBendtrans-86.9167.7-178.372.90000113.1T37 V38 L43T37-T41 WeakPolarHBondContact CG2-O 3.06Å; V38-T41 PolarHBondContact O-N 2.85Å; V38-T41 PolarHBondContact O-OG1 2.84Å; T41-L43 PolarHBondContact O-N 3.28Å; T41-L43 PolarHBondContact OG1-N 3.34Å
42S93.4Very high94.6Very high124 Ų12497.4 Ų97.487%0.86751%0.512SS*.SBendtrans-79.2-1.9171.560.30000114
43L96.9Very high93.2Very high108 Ų10899 Ų9957%0.56552%0.519SS*.  trans-74.6137.9-177.7-169.367.4000111.1T37 V38 T41T37-L43 WeakPolarHBondContact CA-O 3.48Å; T37-L43 WeakPolarHBondContact CG2-O 3.09Å; V38-L43 PolarHBondContact N-O 3.32Å; T41-L43 PolarHBondContact O-N 3.28Å; T41-L43 PolarHBondContact OG1-N 3.34Å
44R95.4Very high91.5Very high137 Ų13799 Ų9952%0.51753%0.531SS..EExtended strand (participates in β ladder)trans-120.4137.9177.3-60.8172.772-169.23.8109.7W35 V36W35-R44 HydrophobicContact CB-CB 4.3Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.95Å; W35-R44 WeakPolarHBondContact CZ3-O 3.48Å; V36-R44 CarbonylContact O-C 3.57Å; V36-R44 WeakPolarHBondContact O-CA 3.39Å
45I97.2Very high89.6Confident90 Ų90100.7 Ų100.746%0.46254%0.538SS..EExtended strand (participates in β ladder)trans-123.2143.3177.5-62.5-176.8000109.1W35 V36 V38 K47W35-I45 VanDerWaalsContact CE3-C 3.43Å; V36-I45 PolarHBondContact N-O 3.2Å; V36-I45 PolarHBondContact O-N 3.23Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.4Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; V38-I45 VanDerWaalsContact CG2-CG1 3.5Å; I45-K47 PolarHBondContact O-N 3.41Å
46Y97.3Very high87.5Confident110 Ų110100 Ų10043%0.43155%0.551SS.*EExtended strand (participates in β ladder)trans-70.3122.1170.5-78.4-62.8000110.9K33 K34 W35K33-Y46 HydrophobicContact CD-CD1 4.1Å; K33-Y46 HydrophobicContact CD-CG 4.13Å; K33-Y46 VanDerWaalsContact CE-CD2 3.44Å; K33-Y46 HydrophobicContact CG-CD1 3.55Å; K33-Y46 HydrophobicContact CG-CE1 4.2Å; K33-Y46 HydrophobicContact CG-CG 3.91Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; W35-Y46 AromaticContact CD1-CE1 3.51Å; W35-Y46 AromaticContact CD1-CZ 3.91Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.13Å; W35-Y46 AromaticContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE2 4.05Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.77Å; W35-Y46 AromaticContact CE2-CD1 3.88Å; W35-Y46 AromaticContact CE2-CD2 3.9Å; W35-Y46 AromaticContact CE2-CE1 3.33Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.02Å; W35-Y46 VanDerWaalsContact CE2-OH 3.26Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CE1 4.33Å; W35-Y46 HydrophobicContact CE3-CE2 4.29Å; W35-Y46 AromaticContact CE3-CG 3.89Å; W35-Y46 HydrophobicContact CE3-CG 3.89Å; W35-Y46 AromaticContact CG-CD1 3.99Å; W35-Y46 HydrophobicContact CG-CD1 3.99Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.39Å; W35-Y46 HydrophobicContact CH2-CD2 3.39Å; W35-Y46 AromaticContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CG 4.15Å; W35-Y46 AromaticContact CH2-CZ 3.92Å; W35-Y46 HydrophobicContact CZ2-CD1 4.41Å; W35-Y46 AromaticContact CZ2-CD2 3.57Å; W35-Y46 HydrophobicContact CZ2-CD2 3.57Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CG 4.27Å; W35-Y46 AromaticContact CZ2-CZ 3.15Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.43Å; W35-Y46 AromaticContact CZ3-CD2 3.62Å; W35-Y46 HydrophobicContact CZ3-CD2 3.62Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.23Å; W35-Y46 AromaticContact NE1-CE2 3.95Å; W35-Y46 AromaticContact NE1-CZ 3.11Å; W35-Y46 PolarHBondContact NE1-OH 2.85Å
47K96.4Very high85.1Confident128 Ų128104.1 Ų104.156%0.55757%0.571SS**EExtended strand (participates in β ladder)trans-124.6145169.8-170.4148.369.8176.20109.7K34 V36 I45 V49K34-K47 PolarHBondContact N-O 2.96Å; K34-K47 PolarHBondContact O-N 3.2Å; V36-K47 HydrophobicContact CG2-CB 4.09Å; I45-K47 PolarHBondContact O-N 3.41Å; K47-V49 PolarHBondContact O-N 3.33Å
48W96.3Very high82.8Confident151 Ų151106.6 Ų106.657%0.57258%0.582SS**EExtended strand (participates in β ladder)trans-76.8117169.8-64.4102.3000108.7W31 E32 K33W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.11Å; W31-W48 HydrophobicContact CD2-CB 4.36Å; W31-W48 HydrophobicContact CE3-CB 3.46Å; W31-W48 VanDerWaalsContact CE3-CB 3.46Å; W31-W48 HydrophobicContact CE3-CG 4.42Å; W31-W48 HydrophobicContact CZ3-CB 4.11Å; W31-W48 WeakPolarHBondContact O-CZ3 3.25Å; E32-W48 WeakPolarHBondContact O-CA 3.29Å; K33-W48 HydrophobicContact CB-CD2 4.36Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.12Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.9Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å
49V94.6Very high80.9Confident40 Ų40113.3 Ų113.324%0.24261%0.605CS.*EExtended strand (participates in β ladder)trans-114.2141.3179.4-92.90000109.6W31 E32 K34 K47 V51W31-V49 WeakPolarHBondContact CA-O 3.48Å; E32-V49 HydrophobicContact CG-CG2 4.02Å; E32-V49 PolarHBondContact N-O 3.24Å; E32-V49 WeakPolarHBondContact O-CG2 3.37Å; E32-V49 PolarHBondContact O-N 3.49Å; K34-V49 HydrophobicContact CB-CG2 3.64Å; K34-V49 HydrophobicContact CG-CG2 3.8Å; K47-V49 PolarHBondContact O-N 3.33Å; V49-V51 PolarHBondContact O-N 3.31Å
50P94.1Very high79Confident78 Ų78114.1 Ų114.151%0.50660%0.6SS.*EExtended strand (participates in β ladder)trans-62.2131.9177.4-20.432000111.6W31 T52W31-P50 HydrophobicContact CZ2-CG 4.45Å; P50-T52 PolarHBondContact O-N 2.92Å
51V91.9Very high77Confident51 Ų51115.4 Ų115.431%0.30960%0.598SS.*  trans-85.7105.2170-177.60000108.1N30 E32 V49 E53N30-V51 HydrophobicContact CB-CB 4.42Å; N30-V51 WeakPolarHBondContact O-CB 3.41Å; N30-V51 WeakPolarHBondContact O-CG2 3.17Å; N30-V51 PolarHBondContact O-N 2.97Å; E32-V51 HydrophobicContact CB-CG2 3.53Å; E32-V51 HydrophobicContact CG-CG2 3.41Å; E32-V51 VanDerWaalsContact CG-CG2 3.41Å; V49-V51 PolarHBondContact O-N 3.31Å; V51-E53 WeakPolarHBondContact CG1-O 3.48Å; V51-E53 PolarHBondContact O-N 3.42Å
52T79.4Confident74.7Confident129 Ų129119.9 Ų119.979%0.79162%0.619SS**SBendtrans-78.6-5.2-175.851.10000114.1P50P50-T52 PolarHBondContact O-N 2.92Å
53E66.1Low72.9Confident105 Ų105123 Ų12349%0.49162%0.617SS.*  trans-136.6106.1175.7-58.8-168.9139.500110V51 K55V51-E53 WeakPolarHBondContact CG1-O 3.48Å; V51-E53 PolarHBondContact O-N 3.42Å; E53-K55 HydrophobicContact CB-CB 4.44Å; E53-K55 HydrophobicContact CB-CG 3.62Å; E53-K55 HydrophobicContact CG-CG 4.41Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.2Å; E53-K55 PolarHBondContact OE1-NZ 3.15Å; E53-K55 WeakPolarHBondContact OE2-CE 3.42Å; E53-K55 WeakPolarHBondContact OE2-CG 3.48Å; E53-K55 IonicContact OE2-NZ 3.94Å; E53-K55 PolarHBondContact OE2-NZ 3.28Å
54P61.1Low70.5Confident112 Ų112126 Ų12673%0.72763%0.626SS**  trans-70.457.5159.331.4-32.8000108.6
55K54.9Low68.1Low134 Ų134128.5 Ų128.558%0.58364%0.64SS**  trans-73.8126.2165-64-119.6175.588.90105E53 N57E53-K55 HydrophobicContact CB-CB 4.44Å; E53-K55 HydrophobicContact CB-CG 3.62Å; E53-K55 HydrophobicContact CG-CG 4.41Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.2Å; E53-K55 PolarHBondContact OE1-NZ 3.15Å; E53-K55 WeakPolarHBondContact OE2-CE 3.42Å; E53-K55 WeakPolarHBondContact OE2-CG 3.48Å; E53-K55 IonicContact OE2-NZ 3.94Å; E53-K55 PolarHBondContact OE2-NZ 3.28Å; K55-N57 PolarHBondContact O-N 3.37Å
56S51.9Low65.9Low101 Ų101127.5 Ų127.571%0.70665%0.652SS**  trans-28.3106.5158.142.90000110.5D58S56-D58 PolarHBondContact O-N 2.91Å
57N45Very low63.4Low141 Ų141131.8 Ų131.875%0.75467%0.673SS**  trans-73.769.9169.8-174.128.1000107.9K55 K59K55-N57 PolarHBondContact O-N 3.37Å; N57-K59 VanDerWaalsContact C-N 3.33Å
58D50.3Low60.6Low128 Ų128130.2 Ų130.268%0.68467%0.671SS**  trans-101.931.8176.8-141-50.9000109.9S56S56-D58 PolarHBondContact O-N 2.91Å
59K54.6Low58.2Low203 Ų203131.4 Ų131.488%0.88369%0.688SS**  trans-110.913.5178.1-84.5-167.7177.176.80114.2N57N57-K59 VanDerWaalsContact C-N 3.33Å
60S55.2Low55.9Low90 Ų90137.3 Ų137.363%0.62971%0.71SS**SBendtrans-128.353.5167.370.60000112.8
61K49.8Very low53.4Low192 Ų192145 Ų14584%0.83573%0.731SS**SBendtrans-175.1123.4137.4-100164.2-170.4178.20109.6
62N47.7Very low50.8Low165 Ų165146 Ų14688%0.88275%0.752SS**  trans-67.8149.3-178.3-149.821.4000111.5
63K54.2Low49.5Very low189 Ų189145.1 Ų145.182%0.82275%0.751SS**  trans88.2100.6155.5-153.6169.8-171.8167.90117.3
64K48.1Very low48.1Very low173 Ų173148.4 Ų148.475%0.75277%0.766SS**  160127101.1-168.3163.9-176.9168.80111.5
65K44.3Very low47.5Very low188 Ų188149.6 Ų149.682%0.81777%0.771SS**  trans45.4120.4153.3-68.5-177.5172.3-172.60116.9
66G50.4Low47Very low69 Ų69148.9 Ų148.971%0.71178%0.778SS**  79.7127.553.500000110.8
67K44.2Very low46.6Very low200 Ų200149.5 Ų149.587%0.8778%0.778SS**  trans80.6138.8175.4-127.9104.2176.7178.40113.7
68D37.7Very low46.7Very low96 Ų96148.8 Ų148.851%0.51378%0.781SS.*  cis-164.2127.115.6-164.6-136.1000106.4K70D68-K70 PolarHBondContact O-N 3.11Å; D68-K70 WeakPolarHBondContact OD1-CB 3.23Å; D68-K70 VanDerWaalsContact OD1-CD 3.29Å; D68-K70 WeakPolarHBondContact OD1-CD 3.27Å; D68-K70 VanDerWaalsContact OD1-CE 3.3Å; D68-K70 WeakPolarHBondContact OD1-CE 3.35Å; D68-K70 WeakPolarHBondContact OD1-CG 3.3Å
69D47.5Very low46.6Very low175 Ų175151.6 Ų151.694%0.93679%0.79SS**  trans-77.399.3158.5-107.6-49.6000106.8
70K45.8Very low45.9Very low164 Ų164148.6 Ų148.671%0.71378%0.783SS**  trans-148.1117.2163-77.7-167.4-148.8177.90112.5D68D68-K70 PolarHBondContact O-N 3.11Å; D68-K70 WeakPolarHBondContact OD1-CB 3.23Å; D68-K70 VanDerWaalsContact OD1-CD 3.29Å; D68-K70 WeakPolarHBondContact OD1-CD 3.27Å; D68-K70 VanDerWaalsContact OD1-CE 3.3Å; D68-K70 WeakPolarHBondContact OD1-CE 3.35Å; D68-K70 WeakPolarHBondContact OD1-CG 3.3Å
71Y40.9Very low45.9Very low240 Ų240149.6 Ų149.694%0.94179%0.791SS**  trans4.2121.4132.2-105.3-102.8000116.1
72G38.1Very low46Very low73 Ų73145.7 Ų145.775%0.75379%0.787SS**  trans-163.667.4174.100000111.4E74G72-E74 PolarHBondContact O-N 3.1Å
73S51.7Low46.4Very low110 Ų110142.9 Ų142.977%0.76978%0.781SS**  trans-65.4108.1155.4156.10000107.3
74E37.9Very low46.8Very low174 Ų174139 Ų13981%0.81378%0.775SS**  trans-139.3109.8150.3-70.4-154.4123.600110.3G72 T76G72-E74 PolarHBondContact O-N 3.1Å; E74-T76 PolarHBondContact O-N 3.15Å
75V48.4Very low47.6Very low137 Ų137133.6 Ų133.683%0.8377%0.768SS**  trans-44.8113.1146.8156.20000108.7
76T42.7Very low48.6Very low118 Ų118133.3 Ų133.372%0.72477%0.772SS**  trans-141.3116.115459.80000109.3E74E74-T76 PolarHBondContact O-N 3.15Å
77T44.8Very low49.6Very low114 Ų114137.8 Ų137.870%0.69978%0.776SS**  trans-42133170.9-35.80000112.8E79T77-E79 HydrophobicContact CG2-CG 4.05Å
78P46.9Very low50.6Low127 Ų127133.9 Ų133.983%0.82577%0.765SS**  trans-92.290.7157.431.9-24.9000109.1N80P78-N80 PolarHBondContact O-N 3.32Å
79E46.8Very low52.1Low186 Ų186137.6 Ų137.687%0.86978%0.781SS**  trans-8390.1154.8-76.5-143.2104.700108.4T77T77-E79 HydrophobicContact CG2-CG 4.05Å
80N41.4Very low53.1Low140 Ų140136.6 Ų136.675%0.74977%0.77SS**  trans-166.5105.7147.2-157.2-17.8000111.3P78P78-N80 PolarHBondContact O-N 3.32Å
81S54.4Low54.1Low112 Ų112134.1 Ų134.178%0.78377%0.765SS**  trans24.1104.5146.2-40.60000118.8
82S52.5Low55.1Low109 Ų109129.6 Ų129.676%0.76276%0.757SS**  -159109.2125.6-161.90000108P84S82-P84 VanDerWaalsContact O-CD 3.25Å; S82-P84 WeakPolarHBondContact O-CD 3.25Å
83S56.3Low56.1Low106 Ų106131.4 Ų131.474%0.74175%0.75SS**  trans-57.3117.5167.3-171.90000107.4G85S83-G85 PolarHBondContact O-N 3.25Å
84P62Low56.4Low109 Ų109130.4 Ų130.471%0.70874%0.743SS**  trans-67.7105170.2-10.626.9000105.7S82 M86S82-P84 VanDerWaalsContact O-CD 3.25Å; S82-P84 WeakPolarHBondContact O-CD 3.25Å; P84-M86 PolarHBondContact O-N 3.41Å
85G65.1Low57.2Low58 Ų58129 Ų12960%0.59874%0.74SS**  trans-44.4130.2171.100000109S83 M87S83-G85 PolarHBondContact O-N 3.25Å; G85-M87 PolarHBondContact O-N 2.95Å
86M65.8Low57.9Low183 Ų183130.6 Ų130.690%0.90174%0.739SS**  trans-42.4112.4169.5-67.7-69.9-63.100107.4P84 D88P84-M86 PolarHBondContact O-N 3.41Å; M86-D88 PolarHBondContact O-N 2.93Å
87M71.3Confident58.7Low163 Ų163130.4 Ų130.480%0.80374%0.742SS**  trans-59.7112.3174.4-61.9137-177.500105.6G85 M89G85-M87 PolarHBondContact O-N 2.95Å; M87-M89 PolarHBondContact O-N 3.28Å
88D65.3Low59.3Low117 Ų117129.8 Ų129.863%0.62674%0.743SS**  trans-56.5112174.3-167.380.4000107.1M86 H90M86-D88 PolarHBondContact O-N 2.93Å; D88-H90 PolarHBondContact O-N 2.97Å; D88-H90 IonicContact OD2-CD2 2.67Å; D88-H90 PolarHBondContact OD2-CD2 3.22Å; D88-H90 VanDerWaalsContact OD2-CD2 3.28Å; D88-H90 IonicContact OD2-CE1 3.07Å; D88-H90 PolarHBondContact OD2-CE1 3.04Å; D88-H90 IonicContact OD2-CG 3.42Å; D88-H90 IonicContact OD2-ND1 3.38Å; D88-H90 PolarHBondContact OD2-ND1 3.21Å; D88-H90 IonicContact OD2-NE2 3.08Å; D88-H90 PolarHBondContact OD2-NE2 2.87Å; D88-H90 VanDerWaalsContact OD2-NE2 3.08Å
89M68.1Low59.9Low175 Ų175132 Ų13286%0.86275%0.746SS**  trans-7381.4176.6-68.6-175.691.400107.4M87 D91M87-M89 PolarHBondContact O-N 3.28Å; M89-D91 PolarHBondContact O-N 3.38Å
90H68.1Low60.4Low153 Ų153127 Ų12771%0.70874%0.737SS**  trans-68.776158-71.3-62.2000108.3D88 D92D88-H90 PolarHBondContact O-N 2.97Å; D88-H90 IonicContact OD2-CD2 2.67Å; D88-H90 PolarHBondContact OD2-CD2 3.22Å; D88-H90 VanDerWaalsContact OD2-CD2 3.28Å; D88-H90 IonicContact OD2-CE1 3.07Å; D88-H90 PolarHBondContact OD2-CE1 3.04Å; D88-H90 IonicContact OD2-CG 3.42Å; D88-H90 IonicContact OD2-ND1 3.38Å; D88-H90 PolarHBondContact OD2-ND1 3.21Å; D88-H90 IonicContact OD2-NE2 3.08Å; D88-H90 PolarHBondContact OD2-NE2 2.87Å; D88-H90 VanDerWaalsContact OD2-NE2 3.08Å; H90-D92 PolarHBondContact O-N 3.18Å
91D66.7Low61Low113 Ų113127.2 Ų127.260%0.60474%0.737SS**  trans-84.872.2166.3-168.916.6000109.1M89 N93M89-D91 PolarHBondContact O-N 3.38Å; D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.37Å; D91-N93 PolarHBondContact OD1-N 3.08Å
92D63.2Low61Low145 Ų145128.2 Ų128.278%0.77574%0.743SS**  trans-80.717.2163.9-80.5-56000111.6H90 S94H90-D92 PolarHBondContact O-N 3.18Å; D92-S94 PolarHBondContact O-N 3.07Å
93N59Low61.2Low111 Ų111127.9 Ų127.959%0.59474%0.741SS**  trans-8956.7163.3-169.749.2000109.7D91 N95D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.37Å; D91-N93 PolarHBondContact OD1-N 3.08Å; N93-N95 PolarHBondContact O-N 3.38Å
94S58.3Low61.1Low89 Ų89128.8 Ų128.862%0.62274%0.744SS**  trans-52.7100.8166-100.20000109.5D92 Q96D92-S94 PolarHBondContact O-N 3.07Å; S94-Q96 PolarHBondContact O-N 3.37Å
95N54.7Low60.7Low143 Ų143132.2 Ų132.277%0.76575%0.753SS**  trans-64.378.5159-78-43.6000108.6N93 S97N93-N95 PolarHBondContact O-N 3.38Å; N95-S97 PolarHBondContact O-N 3.34Å
96Q62.4Low60.3Low172 Ų172139.1 Ų139.180%0.80477%0.766SS**  trans-77.724.4168.4-84.5-147.2-3.200113.1S94 S98S94-Q96 PolarHBondContact O-N 3.37Å; Q96-S98 VanDerWaalsContact C-N 3.26Å; Q96-S98 PolarHBondContact O-N 3.46Å
97S58.8Low59.4Low113 Ų113138.5 Ų138.579%0.7976%0.761SS**  trans-81.885.2170.9-63.30000109.7N95 I99N95-S97 PolarHBondContact O-N 3.34Å; S97-I99 PolarHBondContact O-N 3.23Å
98S58.7Low57.9Low101 Ų101140 Ų14071%0.70677%0.766SS**  trans-41.6127.3160.8-1790000111Q96 A100Q96-S98 VanDerWaalsContact C-N 3.26Å; Q96-S98 PolarHBondContact O-N 3.46Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.21Å
99I58.4Low57.3Low175 Ų175140.7 Ų140.790%0.89777%0.77SS**  trans-60.997.7163.2-86.8158.1000107.3S97S97-I99 PolarHBondContact O-N 3.23Å
100A57.9Low56.2Low81 Ų81137.8 Ų137.867%0.66977%0.767SS**  trans-124.296.9165.900000108.4S98S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.21Å
101D54.3Low55.5Low143 Ų143138.6 Ų138.677%0.76578%0.776SS**  trans49.398.2135.6-160.515.9000117.8
102C53.9Low54.4Low133 Ų133138.8 Ų138.890%0.89979%0.787SS**  trans-140.8112.8150.8-88.70000110
103S56.4Low53.8Low102 Ų102136.1 Ų136.171%0.71379%0.785SS**  trans-36.2148.3174.1-90.60000115.7M105S103-M105 PolarHBondContact O-N 2.88Å; S103-M105 VanDerWaalsContact O-N 3.12Å
104P54Low53Low125 Ų125136.1 Ų136.181%0.81279%0.793SS**  trans-65115.8166.627.9-30.4000109.4K106P104-K106 PolarHBondContact O-N 2.81Å
105M53.5Low52.5Low182 Ų182138 Ų13890%0.89780%0.804SS**  trans-57.8133.417162.7170.27100109.9S103 Q107S103-M105 PolarHBondContact O-N 2.88Å; S103-M105 VanDerWaalsContact O-N 3.12Å; M105-Q107 PolarHBondContact O-N 3.45Å
106K56.7Low51.9Low203 Ų203135.4 Ų135.488%0.88380%0.802SS**  trans-64.9116.9178-68-179.2172-174.90109.9P104 E108P104-K106 PolarHBondContact O-N 2.81Å; K106-E108 PolarHBondContact O-N 3.12Å
107Q47.3Very low51.5Low170 Ų170133.3 Ų133.379%0.79480%0.803SS**  trans14.796.4136.9-169.6177.1-4700115.8M105 N109M105-Q107 PolarHBondContact O-N 3.45Å; Q107-N109 HydrophobicContact CG-CB 4.32Å; Q107-N109 PolarHBondContact O-N 2.94Å
108E40.8Very low50.7Low194 Ų194137.7 Ų137.791%0.90781%0.811SS**  trans-87.388.9159.2-168.7-170.5114.700108.3K106K106-E108 PolarHBondContact O-N 3.12Å
109N52.5Low50.1Low132 Ų132136.7 Ų136.771%0.70681%0.809SS**  trans-113.9109.5159.3-10678.6000106.1Q107Q107-N109 HydrophobicContact CG-CB 4.32Å; Q107-N109 PolarHBondContact O-N 2.94Å
110S45Very low49Very low113 Ų113135.2 Ų135.279%0.7981%0.808SS**  trans-176.4104.2138.2-78.20000110.9
111N52.5Low48Very low171 Ų171135.1 Ų135.191%0.91481%0.808SS**  trans-51.6130.8144.9-78.722.3000109.1
112S44.8Very low47.1Very low117 Ų117134.6 Ų134.682%0.81881%0.81SS**  trans-148.9101.6155.3176.20000108.7
113A50.5Low46.3Very low89 Ų89132.8 Ų132.874%0.73680%0.798SS**  trans-81.1155.9174.200000112
114S42Very low45.3Very low111 Ų111136.9 Ų136.978%0.77681%0.807SS**  trans87.8142.3161.2-54.40000117.8
115P47.3Very low44.3Very low129 Ų129136.3 Ų136.384%0.83881%0.805SS**  -125.9139.278.835.9-26000116.2
116A41.5Very low43.5Very low87 Ų87134.8 Ų134.872%0.71980%0.801SS**  trans35.3145.6140.300000124.1
117P53.7Low42.6Very low129 Ų129130.8 Ų130.884%0.83880%0.798SS**  trans-88.6143.1173.236.3-31.4000112.2
118E42.6Very low42Very low204 Ų204129.5 Ų129.595%0.95380%0.797SS**  trans-110127.1163.6-123.1-173.6124.500109.6
119A45.7Very low41.9Very low81 Ų81128.3 Ų128.367%0.66979%0.792SS**  trans-127.6144.3175.600000110.2
120T36.8Very low41.1Very low143 Ų143125.6 Ų125.688%0.87779%0.788SS**  trans82.5135.116474.20000116.2
121A36.8Very low40.8Very low80 Ų80129.9 Ų129.966%0.66179%0.792SS**  cis-163.2158.21800000114.1
122T35.5Very low40.3Very low132 Ų132127 Ų12781%0.8179%0.785SS**  trans65.8135.9144.640.70000119.9
123S35.8Very low39.9Very low94 Ų94127.7 Ų127.766%0.65778%0.779SS**  cis-171.3160.317.7-100.20000112.1
124Q36.2Very low39.3Very low189 Ų189131 Ų13188%0.88378%0.78SS**  trans76129.7155.6-69.8168.8-25.400117.7
125S32.3Very low39Very low112 Ų112130.3 Ų130.378%0.78378%0.775SS**  cis-159.5157.125.144.80000111.9
126D37.3Very low38.4Very low150 Ų150133.1 Ų133.180%0.80278%0.777SS**  trans-49.8141.8-179-58.9-93.4000116.6
127S36.9Very low38.1Very low119 Ų119134.1 Ų134.183%0.83278%0.779SS**  -177.1121.4108.7-76.60000112.2
128N36.3Very low37.8Very low144 Ų144133.9 Ų133.977%0.7778%0.777SS**  trans-22.3151148.7-112.625.6000114.3
129E37Very low37.2Very low169 Ų169128 Ų12879%0.7977%0.771SS**  cis-164.4152.539.2-166.1160.6106.200111.7
130A37.2Very low37.2Very low75 Ų75133 Ų13362%0.6278%0.778SS**  trans-64.9154.217700000114.5
131K38.2Very low37Very low203 Ų203134.3 Ų134.388%0.88377%0.774SS**  164.2142.697.1-89.3-163.7178.4169.10112.6
132S42.2Very low36.8Very low110 Ų110138.6 Ų138.677%0.76978%0.78SS**  trans-67.9156.6158.7-176.70000111.2
133D36.7Very low37.2Very low131 Ų131139.7 Ų139.770%0.70178%0.78SS**  trans116.5137.7142.8-152.7-125.2000118.1
134Q37.9Very low37.1Very low160 Ų160145.1 Ų145.175%0.74879%0.792SS**  trans74.4113.3154.8-97-178.5-8.400122.3
135S35.9Very low37.3Very low96 Ų96140.7 Ų140.767%0.67178%0.782SS**  88132.8121-70.10000122.1
136Q33.8Very low37.4Very low188 Ų188142 Ų14288%0.87979%0.785SS**  trans83.8122.6144.9-77.1-179.2-17.300120.8
137S34.4Very low37.3Very low108 Ų108141.8 Ų141.876%0.75578%0.784SS**  trans-63-167.9161.9540000112.7
138P48.8Very low37.5Very low124 Ų124140.7 Ų140.781%0.80578%0.777SS**  cis-121.8162-3628.2-10.2000111.5
139G30.2Very low37.8Very low80 Ų80143 Ų14383%0.82578%0.78SS**  trans-165.1122.6173.700000113.2
140K44.6Very low38Very low187 Ų187140 Ų14081%0.81378%0.778SS**  trans-79176.1-177-60.5177.4174.2-1790111.7
141E33.4Very low38Very low170 Ų170140.4 Ų140.479%0.79479%0.789SS**  trans81.9136.9161.1-54.2155.5-166.500113.5
142Q33.1Very low38.2Very low169 Ų169138 Ų13879%0.7979%0.786SS**  cis-163.315915.4-149.5166.5-63.900109.7
143L42.9Very low38.2Very low156 Ų156138.2 Ų138.282%0.81778%0.782SS**  trans-50.4142.8175.2-59.9122.7000114.6
144K34.6Very low38.3Very low207 Ų207140.6 Ų140.690%0.979%0.789SS**  trans-152116.5137.2-149.5162-164.3-110.60112.9
145S40Very low38.2Very low96 Ų96138.5 Ų138.567%0.67179%0.792SS**  trans-71.1147.3168.4-38.70000111.4
146T33.8Very low38.6Very low139 Ų139139.1 Ų139.185%0.85380%0.796SS**  trans-172.6108.1132.139.70000111.4
147D35.3Very low38.6Very low147 Ų147138 Ų13879%0.78679%0.791SS**  trans20.1134.8137.7-152.4-117.8000124.1
148S40.1Very low39.1Very low96 Ų96143.6 Ų143.667%0.67180%0.797SS**  trans62.3118.1146.8-66.50000122.6
149K42.9Very low38.6Very low191 Ų191141.5 Ų141.583%0.8379%0.786SS**  174.3122.996.7-172.9154.5-176.5-179.80113.7
150S41.2Very low39.2Very low108 Ų108145.6 Ų145.676%0.75579%0.788SS**  trans26.1123152.168.30000121.8
151G37.2Very low38.8Very low83 Ų83142.5 Ų142.586%0.85679%0.786SS**  trans-165.773.2161.900000111.9
152N43.1Very low39.2Very low152 Ų152140.3 Ų140.381%0.81379%0.789SS**  trans-66.7120.3168.3160.555.6000110.3
153V41.9Very low39.8Very low115 Ų115138 Ų13870%0.69779%0.787SS**  trans-164.7117.8139.6-1580000112.3
154H39.5Very low39.9Very low180 Ų180137 Ų13783%0.83379%0.79SS**  trans76.6100152.5-65-177.3000121.9
155S35.8Very low40.3Very low116 Ų116135.9 Ų135.981%0.81179%0.785SS**  trans-90.4123.5153.4-178.50000108.9E157S155-E157 PolarHBondContact O-N 2.93Å
156S43.2Very low40.6Very low109 Ų109143 Ų14376%0.76280%0.797SS**  trans-77.2107.4173.156.50000110.3
157E34.2Very low41Very low166 Ų166143.5 Ų143.578%0.77679%0.794SS**  trans-68.9123.9168-84.9175.9101.500110.9S155S155-E157 PolarHBondContact O-N 2.93Å
158Y45.4Very low41Very low224 Ų224140.4 Ų140.488%0.87880%0.797SS**  trans-90.987.3155.352.8-88000108.2
159S37.6Very low41Very low81 Ų81147.8 Ų147.857%0.56681%0.81SS**  trans-91.3101.7169.4-83.20000109.4
160N42.3Very low40.7Very low165 Ų165143.8 Ų143.888%0.88281%0.806SS**  trans-110.593.4161.5-92.6-1.5000108.6
161T36.9Very low40.5Very low123 Ų123145.2 Ų145.276%0.75581%0.811SS**  trans-119101.3163.455.60000108.3
162S41.4Very low40.3Very low124 Ų124144.8 Ų144.887%0.86781%0.807SS**  trans-91107.3170.330.40000109.7
163T46.2Very low39.8Very low121 Ų121140.8 Ų140.874%0.74280%0.801SS**  trans-109.5131.6162.452.60000108.7
164P44.8Very low39.5Very low135 Ų135143.5 Ų143.588%0.87781%0.812SS**PPolyproline II helixtrans-82120.4171.430.7-29.4000110.3
165K44Very low39.3Very low183 Ų183143 Ų14380%0.79681%0.81SS**PPolyproline II helixtrans-90.2129.4166.8-115.8-176.2174.6-174.40109.1
166R44.9Very low39.8Very low246 Ų246143.6 Ų143.693%0.92881%0.811SS**PPolyproline II helixtrans-69.3135.2160.7-76.7-179.5-166.8153.13.4108.4
167D41.9Very low39.5Very low148 Ų148142.7 Ų142.779%0.79181%0.805SS**  trans-127.3126.8158-74-54.7000109.3
168G35.4Very low39.5Very low83 Ų83140.2 Ų140.286%0.85681%0.806SS**  trans-85.3164.7177.300000112.4
169R40.9Very low38.9Very low250 Ų250137 Ų13794%0.94380%0.804SS**  trans-140.3117.7169.1-162.3153.6153-109.4-1.5109.5
170S37.3Very low38.9Very low107 Ų107139.1 Ų139.175%0.74881%0.813SS**  trans-83150.8176.4168.90000110.6
171T36.8Very low38.9Very low138 Ų138137 Ų13785%0.84781%0.808SS**  trans-174.1125.1141.9-69.90000111.7
172G32.3Very low38.9Very low75 Ų75140 Ų14077%0.77381%0.814SS**  trans62.2121.4148.100000118.3
173G32.3Very low38.4Very low67 Ų67141.4 Ų141.469%0.69181%0.812SS**  cis107.610437.900000108.2
174N35.4Very low38.1Very low172 Ų172140 Ų14092%0.9281%0.807SS**  trans174.5113.1153.3-84.8-26.8000109.9
175E36.2Very low37.8Very low170 Ų170142.1 Ų142.179%0.79481%0.805SS**  trans-82.7157.3156.5-81.3-139.6104.200109.4
176P46.3Very low37.4Very low128 Ų128142.1 Ų142.183%0.83181%0.808SS**  -142.6148.292.431.3-13.2000115.9
177S36.5Very low37.1Very low91 Ų91136 Ų13664%0.63680%0.802SS**  trans-36.1151.5159.9-58.10000115.9
178S34.5Very low36.9Very low114 Ų114137.8 Ų137.880%0.79781%0.806SS**  -175.5130127.5-75.90000112.9
179D33Very low37.2Very low156 Ų156141.7 Ų141.783%0.83481%0.808SS**  trans34.1120.8143.3-83.2-71.8000123.5
180T38.1Very low37Very low126 Ų126133.1 Ų133.177%0.77380%0.797SS**  trans-62.6146.1145.8210000111.9
181P42.1Very low37Very low119 Ų119134.6 Ų134.677%0.77380%0.802SS**  -149.2147.383.135.7-15.9000117.4
182Q36.5Very low37.6Very low187 Ų187133.3 Ų133.387%0.87480%0.796SS**  trans26.2113.2138.3-160.3179-24.800120.7
183D30.7Very low38.7Very low154 Ų154135 Ų13582%0.82479%0.793SS**  trans-157.1162.8136.6-161.916000111
184S40.3Very low39.1Very low91 Ų91139.8 Ų139.864%0.63680%0.803SS**  trans-90.1162.3-145-47.10000115.6
185Q38.4Very low39.8Very low179 Ų179140.5 Ų140.584%0.83680%0.798SS**  trans12899159.8-76.4-178.5-103.300111.2
186E35.8Very low40.4Very low183 Ų183142.5 Ų142.586%0.85580%0.804SS**  60.697.192.6-172.4-171.790.700112.3
187S37.7Very low40.3Very low117 Ų117140.4 Ų140.482%0.81881%0.805SS**  179.2156.2126.7-156.70000110
188E39.1Very low40.7Very low186 Ų186145.5 Ų145.587%0.86982%0.816SS**  trans-83.8165.5-150.9-54-163.698.900115.7
189D41.1Very low41.1Very low166 Ų166147.6 Ų147.689%0.88882%0.818SS**  trans85.680.2153.5-137.963.5000119.4
190G37.1Very low41.3Very low70 Ų70149.4 Ų149.472%0.72282%0.821SS**  76.782.710900000119.8
191T37.8Very low41.7Very low138 Ų138149 Ų14985%0.84782%0.819SS**  trans-53.8147.7169.1-430000115.3
192P47.4Very low42.3Very low110 Ų110149.8 Ų149.871%0.71482%0.823SS**  trans-85.6-161.3170.937.1-36.3000112.1
193P56.5Low42.7Very low110 Ų110146.4 Ų146.471%0.71482%0.821SS**  -109.7165.6-67.836.7-23.3000112.1
194N41.4Very low43.5Very low169 Ų169143.9 Ų143.990%0.90482%0.821SS**  trans-158.3147.6156.1-117.1-51.7000116.7
195K48.6Very low43.7Very low186 Ų186147.1 Ų147.181%0.80983%0.831SS**  trans-80.1154.3-176.3-67.5169174170.50112.4
196K49.3Very low44.6Very low212 Ų212146.7 Ų146.792%0.92283%0.827SS**  141.7142.9128.7-77.7173.7-177-178.30112.7
197G44.1Very low45.7Very low84 Ų84146.5 Ų146.587%0.86683%0.826SS**  trans154.1116.6159.700000113.4
198K44.9Very low46.4Very low199 Ų199147.7 Ų147.787%0.86582%0.819SS**  trans-104.4161.1176.3-125179.6-178.8-1780108.2
199L43.5Very low46.7Very low158 Ų158149.4 Ų149.483%0.82783%0.831SS**  trans80.9116.5170.8-92.289.9000117.6
200E38Very low47Very low193 Ų193148.6 Ų148.690%0.90283%0.829SS**  trans-153.2139.6132.2-119.8-175125.300111.5
201T45.8Very low47.5Very low119 Ų119152.7 Ų152.773%0.7383%0.834SS**  trans-72.9157.6177.439.90000113
202P54.1Low48.1Very low134 Ų134153.5 Ų153.587%0.8783%0.834SS**  trans-106.1116.3154.733-23.2000111.1
203S45Very low48.1Very low117 Ų117156.1 Ų156.182%0.81884%0.841SS**  trans-122.8115.2157.8-175.50000107
204A48.5Very low47.6Very low100 Ų100158.9 Ų158.983%0.82685%0.848SS**  trans-150.4104.7159.300000107.9
205D43.7Very low48Very low160 Ų160158.3 Ų158.386%0.85685%0.845SS**  trans-44.5138.9158.8-126.8-27.3000111
206F56.5Low48Very low169 Ų169156.3 Ų156.374%0.74185%0.847SS**  trans-125.8106.2157.6178.7-96.3000107.5E208F206-E208 HydrophobicContact CE1-CB 3.83Å; F206-E208 HydrophobicContact CZ-CB 3.78Å
207E59.7Low47.9Very low179 Ų179152 Ų15284%0.83684%0.842SS**  trans-88.9116.6171.4-171.9-178.8-153.500107.6
208E51.6Low48.2Very low142 Ų142157.7 Ų157.766%0.66484%0.84SS**  trans-164.4116150.8-125.2-172.3109.600112.1F206F206-E208 HydrophobicContact CE1-CB 3.83Å; F206-E208 HydrophobicContact CZ-CB 3.78Å
209I47.2Very low48.5Very low222 Ų222153.9 Ų153.9100%1.13884%0.837SS**  trans71.70155.3-32.1-173.2000119.6

Retrieved 209 of 209 residues in 66.4 ms (Link to these results)