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Platelet-activating factor acetylhydrolase IB subunit alpha1

Alpha1 catalytic subunit of the cytosolic type I platelet-activating factor (PAF) acetylhydrolase (PAF-AH (I)) heterotetrameric enzyme that catalyzes the hydrolyze of the acetyl group at the sn-2 position of PAF and its analogs and modulates the action of PAF. The activity and substrate specificity of PAF-AH (I) are affected by its subunit composition. Both alpha1/alpha1 homodimer (PAFAH1B3/PAFAH1B3 homodimer) and alpha1/alpha2 heterodimer(PAFAH1B3/PAFAH1B2 heterodimer) hydrolyze 1-O-alkyl-2-acetyl-sn-glycero-3-phosphoric acid (AAGPA) more efficiently than PAF, but they have little hydrolytic activity towards 1-O-alkyl-2-acetyl-sn-glycero-3-phosphorylethanolamine (AAGPE). Plays an important role during the development of brain.

AlphaFold DB , UniProt , Accession A0A061HUZ2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 231 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
1M39.2Very low79.7Confident244 Ų24497.3 Ų97.3100%1.20254%0.543SS*.  0113.40-60.5-172.5-140.800106.1G3M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.69Å
2S45.6Very low81.3Confident123 Ų12394.3 Ų94.386%0.8653%0.53SS*.  trans-65.495175.247.10000107.5E4S2-E4 PolarHBondContact O-N 3.08Å
3G51.2Low82.6Confident66 Ų6690.5 Ų90.568%0.6851%0.511SS*.PPolyproline II helixtrans-60.5121.8177.300000108.4M1 E5M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.69Å; G3-E5 PolarHBondContact O-N 3.4Å; G3-E5 VanDerWaalsContact O-N 3.16Å
4E65.6Low83.7Confident195 Ų19587.6 Ų87.691%0.91150%0.496SS*.PPolyproline II helixtrans-54.3122.5172.8-81.1179.915000108.9S2 N6S2-E4 PolarHBondContact O-N 3.08Å; E4-N6 PolarHBondContact O-N 3.02Å
5E87.6Confident84.7Confident146 Ų14693.5 Ų93.568%0.68252%0.518SS*.PPolyproline II helixtrans-60.5133.9175.5-77.9178.8163.200109.6G3 P7G3-E5 PolarHBondContact O-N 3.4Å; G3-E5 VanDerWaalsContact O-N 3.16Å; E5-P7 VanDerWaalsContact O-CD 3.31Å; E5-P7 WeakPolarHBondContact O-CD 3.46Å; E5-P7 VanDerWaalsContact O-N 3.15Å
6N96.9Very high85.5Confident37 Ų3792.2 Ų92.220%0.19851%0.51CS..  trans-62.4115.9176.4169.820.6000110E4 A8 S9 K10 Q112E4-N6 PolarHBondContact O-N 3.02Å; N6-A8 PolarHBondContact O-N 3.38Å; N6-A8 WeakPolarHBondContact OD1-CB 3.46Å; N6-A8 PolarHBondContact OD1-N 3.04Å; N6-A8 VanDerWaalsContact OD1-N 3.13Å; N6-S9 WeakPolarHBondContact CB-OG 3.4Å; N6-S9 PolarHBondContact ND2-OG 2.75Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.07Å; N6-K10 PolarHBondContact O-N 3.38Å; N6-Q112 PolarHBondContact ND2-O 2.93Å; N6-Q112 WeakPolarHBondContact OD1-CA 3.42Å; N6-Q112 WeakPolarHBondContact OD1-CB 3.33Å; N6-Q112 WeakPolarHBondContact OD1-CG 3.32Å
7P97.7Very high86.2Confident54 Ų5492.6 Ų92.635%0.35153%0.528SS..G310 helixtrans-63.5-28.2-175.525.5-35.3000112.7E5 S9 K10E5-P7 VanDerWaalsContact O-CD 3.31Å; E5-P7 WeakPolarHBondContact O-CD 3.46Å; E5-P7 VanDerWaalsContact O-N 3.15Å; P7-S9 PolarHBondContact O-N 3.41Å; P7-K10 PolarHBondContact O-N 3.47Å
8A98.3Very high86.8Confident0 Ų095.2 Ų95.20%054%0.535CS..G310 helixtrans-70.1-14.417700000113.3N6 T77 Q78 Q112 G116N6-A8 PolarHBondContact O-N 3.38Å; N6-A8 WeakPolarHBondContact OD1-CB 3.46Å; N6-A8 PolarHBondContact OD1-N 3.04Å; N6-A8 VanDerWaalsContact OD1-N 3.13Å; A8-T77 WeakPolarHBondContact O-CB 3.4Å; A8-T77 PolarHBondContact O-OG1 3.32Å; A8-Q78 PolarHBondContact O-N 3.1Å; A8-Q112 HydrophobicContact CB-CB 4.28Å; A8-Q112 VanDerWaalsContact CB-O 3.27Å; A8-Q112 WeakPolarHBondContact CB-O 3.37Å; A8-G116 VanDerWaalsContact O-CA 3.22Å; A8-G116 WeakPolarHBondContact O-CA 3.25Å
9S98.3Very high87.4Confident38 Ų3893.7 Ų93.727%0.26654%0.543SS..G310 helixtrans-113.69.6175.556.80000113.5N6 P7 P11 L81N6-S9 WeakPolarHBondContact CB-OG 3.4Å; N6-S9 PolarHBondContact ND2-OG 2.75Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.07Å; P7-S9 PolarHBondContact O-N 3.41Å; S9-P11 WeakPolarHBondContact O-CD 3.24Å; S9-L81 WeakPolarHBondContact O-CD2 3.38Å
10K98.3Very high87.9Confident121 Ų12193.3 Ų93.353%0.52654%0.538SS..SBendtrans-96.2104.9176.4-178.5173-178.3168.50109.6N6 P7 T12 Q78N6-K10 PolarHBondContact O-N 3.38Å; P7-K10 PolarHBondContact O-N 3.47Å; K10-T12 PolarHBondContact O-N 3.14Å; K10-Q78 VanDerWaalsContact O-CB 3.31Å; K10-Q78 WeakPolarHBondContact O-CB 3.28Å
11P98.4Very high88.4Confident46 Ų4690 Ų9030%0.29953%0.526SS..  trans-58.9126.7-172.724.6-32.8000110.8S9 L81 W82 E85S9-P11 WeakPolarHBondContact O-CD 3.24Å; P11-L81 HydrophobicContact CB-CB 4.43Å; P11-L81 HydrophobicContact CB-CD2 4.14Å; P11-L81 HydrophobicContact CB-CG 4.12Å; P11-L81 HydrophobicContact CG-CD2 4.37Å; P11-W82 HydrophobicContact CB-CB 3.98Å; P11-E85 WeakPolarHBondContact CB-OE2 3.41Å; P11-E85 WeakPolarHBondContact CG-OE2 3.33Å
12T98.6Very high91.2Very high62 Ų6284.4 Ų84.438%0.3849%0.491SS..  trans-151139.8176.6-1720000110.1K10 Q78 H79K10-T12 PolarHBondContact O-N 3.14Å; T12-Q78 HydrophobicContact CG2-CB 4.27Å; T12-Q78 HydrophobicContact CG2-CG 3.62Å; T12-Q78 PolarHBondContact N-O 3.39Å; T12-H79 WeakPolarHBondContact O-CA 3.49Å; T12-H79 PolarHBondContact O-CD2 3.44Å
13P98.5Very high93.8Very high45 Ų4579.7 Ų79.729%0.29245%0.454SS..PPolyproline II helixtrans-74160.3174.231.9-31.7000110.4Q15 W23 M24 W82P13-Q15 PolarHBondContact O-N 2.97Å; P13-W23 HydrophobicContact CB-CE3 4.43Å; P13-W23 HydrophobicContact CB-CH2 3.73Å; P13-W23 HydrophobicContact CB-CZ3 3.51Å; P13-M24 HydrophobicContact CB-CE 4.34Å; P13-W82 HydrophobicContact CB-CD2 3.82Å; P13-W82 HydrophobicContact CB-CE3 4.06Å; P13-W82 HydrophobicContact CB-CG 4.36Å; P13-W82 HydrophobicContact CB-CH2 4.22Å; P13-W82 HydrophobicContact CB-CZ2 3.99Å; P13-W82 HydrophobicContact CB-CZ3 4.25Å; P13-W82 HydrophobicContact CG-CD2 4.37Å; P13-W82 HydrophobicContact CG-CZ2 4.19Å
14V98.3Very high96Very high49 Ų4979.6 Ų79.630%0.29744%0.437SS..PPolyproline II helixtrans-71.2123.8170.9178.50000109.1D16 W23 H79V14-D16 PolarHBondContact O-N 3.06Å; V14-W23 HydrophobicContact CB-CB 4.46Å; V14-W23 HydrophobicContact CB-CD2 3.76Å; V14-W23 HydrophobicContact CB-CE3 4.38Å; V14-W23 HydrophobicContact CB-CG 3.76Å; V14-W23 HydrophobicContact CB-CZ2 4.46Å; V14-W23 HydrophobicContact CG1-CG 4.46Å; V14-W23 HydrophobicContact CG2-CD2 4.06Å; V14-W23 HydrophobicContact CG2-CG 4.11Å; V14-W23 HydrophobicContact CG2-CZ2 4.07Å; V14-W23 VanDerWaalsContact CG2-NE1 3.29Å; V14-H79 HydrophobicContact CG2-CB 4.09Å; V14-H79 WeakPolarHBondContact CG2-ND1 3.46Å
15Q97.8Very high97.6Very high177 Ų17773.8 Ų73.883%0.82742%0.418SS*.PPolyproline II helixtrans-69.6129.1173.6-173177.319.800110.2P13 A17P13-Q15 PolarHBondContact O-N 2.97Å; Q15-A17 PolarHBondContact O-N 2.94Å; Q15-A17 VanDerWaalsContact O-N 3.13Å
16D97.8Very high98.1Very high72 Ų7268.6 Ų68.639%0.38539%0.394SS..  trans-78.598.3176.3-176.814.6000111.2V14 Q18 G19 D20 G21V14-D16 PolarHBondContact O-N 3.06Å; D16-Q18 PolarHBondContact OD1-N 2.9Å; D16-G19 VanDerWaalsContact CG-N 3.28Å; D16-G19 PolarHBondContact OD1-N 3.17Å; D16-G19 WeakPolarHBondContact OD2-CA 3.49Å; D16-G19 PolarHBondContact OD2-N 3.05Å; D16-D20 PolarHBondContact OD2-N 3.14Å; D16-D20 VanDerWaalsContact OD2-N 3.15Å; D16-G21 WeakPolarHBondContact OD2-CA 3.39Å; D16-G21 PolarHBondContact OD2-N 2.72Å
17A96.9Very high98.2Very high99 Ų9967.1 Ų67.182%0.81839%0.386SS*.SBendtrans-89.4-5.117300000113.3Q15Q15-A17 PolarHBondContact O-N 2.94Å; Q15-A17 VanDerWaalsContact O-N 3.13Å
18Q97.6Very high98.3Very high140 Ų14070 Ų7065%0.65440%0.395SS*.SBendtrans-103-25.3-176.6-60.6-173.319.500112.4D16 R22D16-Q18 PolarHBondContact OD1-N 2.9Å; Q18-R22 VanDerWaalsContact CD-NH2 3.26Å
19G97.7Very high98.3Very high67 Ų6776 Ų7669%0.69142%0.417SS*.SBendtrans90.96.7172.800000115.2D16D16-G19 VanDerWaalsContact CG-N 3.28Å; D16-G19 PolarHBondContact OD1-N 3.17Å; D16-G19 WeakPolarHBondContact OD2-CA 3.49Å; D16-G19 PolarHBondContact OD2-N 3.05Å
20D98.3Very high98.4Very high84 Ų8474.4 Ų74.445%0.44941%0.406SS..SBendtrans-95.6-6.6-178.569.513.8000113.9D16 R22D16-D20 PolarHBondContact OD2-N 3.14Å; D16-D20 VanDerWaalsContact OD2-N 3.15Å; D20-R22 PolarHBondContact O-N 3.43Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 WeakPolarHBondContact OD1-CG 3.43Å; D20-R22 PolarHBondContact OD1-N 3.43Å; D20-R22 WeakPolarHBondContact OD2-CD 3.46Å; D20-R22 IonicContact OD2-CZ 3.06Å; D20-R22 IonicContact OD2-NE 3.97Å; D20-R22 IonicContact OD2-NH1 2.78Å; D20-R22 PolarHBondContact OD2-NH1 2.95Å
21G98.2Very high98.4Very high26 Ų2670.5 Ų70.527%0.26839%0.392SS..  trans64.69.117800000115.4D16 W23 M24 S25D16-G21 WeakPolarHBondContact OD2-CA 3.39Å; D16-G21 PolarHBondContact OD2-N 2.72Å; G21-W23 VanDerWaalsContact C-N 3.3Å; G21-W23 PolarHBondContact O-N 3.39Å; G21-W23 VanDerWaalsContact O-N 3.16Å; G21-M24 PolarHBondContact O-N 2.9Å; G21-M24 VanDerWaalsContact O-N 3.11Å; G21-S25 PolarHBondContact O-N 3.03Å; G21-S25 PolarHBondContact O-OG 3.46Å
22R98.4Very high98.4Very high126 Ų12670.4 Ų70.448%0.47540%0.395SS..Hα-helixtrans-61.4-34.3-16570.8-175.5175.5-126.6-0.2114.4Q18 D20 S25 L26Q18-R22 VanDerWaalsContact CD-NH2 3.26Å; D20-R22 PolarHBondContact O-N 3.43Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 WeakPolarHBondContact OD1-CG 3.43Å; D20-R22 PolarHBondContact OD1-N 3.43Å; D20-R22 WeakPolarHBondContact OD2-CD 3.46Å; D20-R22 IonicContact OD2-CZ 3.06Å; D20-R22 IonicContact OD2-NE 3.97Å; D20-R22 IonicContact OD2-NH1 2.78Å; D20-R22 PolarHBondContact OD2-NH1 2.95Å; R22-S25 PolarHBondContact O-N 3.4Å; R22-L26 WeakPolarHBondContact O-CG 3.34Å; R22-L26 PolarHBondContact O-N 3.06Å
23W98.8Very high98.4Very high24 Ų2469.1 Ų69.19%0.09139%0.386CS..Hα-helixtrans-64.7-45.6179.4-173.993.6000110.8P13 V14 G21 L26 H27 D75 H79 W82 R83P13-W23 HydrophobicContact CB-CE3 4.43Å; P13-W23 HydrophobicContact CB-CH2 3.73Å; P13-W23 HydrophobicContact CB-CZ3 3.51Å; V14-W23 HydrophobicContact CB-CB 4.46Å; V14-W23 HydrophobicContact CB-CD2 3.76Å; V14-W23 HydrophobicContact CB-CE3 4.38Å; V14-W23 HydrophobicContact CB-CG 3.76Å; V14-W23 HydrophobicContact CB-CZ2 4.46Å; V14-W23 HydrophobicContact CG1-CG 4.46Å; V14-W23 HydrophobicContact CG2-CD2 4.06Å; V14-W23 HydrophobicContact CG2-CG 4.11Å; V14-W23 HydrophobicContact CG2-CZ2 4.07Å; V14-W23 VanDerWaalsContact CG2-NE1 3.29Å; G21-W23 VanDerWaalsContact C-N 3.3Å; G21-W23 PolarHBondContact O-N 3.39Å; G21-W23 VanDerWaalsContact O-N 3.16Å; W23-L26 PolarHBondContact O-N 3.26Å; W23-H27 PolarHBondContact O-N 3.35Å; W23-D75 PolarHBondContact NE1-OD1 3.14Å; W23-H79 HydrophobicContact CZ2-CB 4.14Å; W23-W82 HydrophobicContact CH2-CD2 4.37Å; W23-W82 AromaticContact CH2-CE3 3.49Å; W23-W82 HydrophobicContact CH2-CE3 3.49Å; W23-W82 VanDerWaalsContact CH2-CE3 3.49Å; W23-W82 AromaticContact CH2-CZ3 3.67Å; W23-W82 HydrophobicContact CH2-CZ3 3.67Å; W23-W82 HydrophobicContact CZ3-CE3 4.01Å; W23-W82 HydrophobicContact CZ3-CH2 4.42Å; W23-W82 AromaticContact CZ3-CZ3 3.72Å; W23-W82 HydrophobicContact CZ3-CZ3 3.72Å; W23-R83 HydrophobicContact CH2-CG 3.67Å; W23-R83 HydrophobicContact CZ2-CG 3.64Å
24M98.8Very high98.4Very high64 Ų6467 Ų6732%0.31537%0.372SS..Hα-helixtrans-69.1-36.1177.5-166.559.968.600111.5P13 G21 L26 H27 H28 W82P13-M24 HydrophobicContact CB-CE 4.34Å; G21-M24 PolarHBondContact O-N 2.9Å; G21-M24 VanDerWaalsContact O-N 3.11Å; M24-L26 PolarHBondContact O-N 2.85Å; M24-H27 PolarHBondContact O-N 3.47Å; M24-H27 HydrophobicContact SD-CB 4.5Å; M24-H28 VanDerWaalsContact O-CG 3.31Å; M24-H28 PolarHBondContact O-N 3.05Å; M24-W82 HydrophobicContact CE-CH2 3.93Å; M24-W82 HydrophobicContact CE-CZ3 4.47Å; M24-W82 HydrophobicContact SD-CH2 4.15Å
25S98.8Very high98.3Very high72 Ų7271.4 Ų71.450%0.50339%0.387SS..Hα-helixtrans-61.3-41.6173.2-57.10000112.7G21 R22 R29G21-S25 PolarHBondContact O-N 3.03Å; G21-S25 PolarHBondContact O-OG 3.46Å; R22-S25 PolarHBondContact O-N 3.4Å; S25-R29 PolarHBondContact O-N 3.39Å; S25-R29 VanDerWaalsContact O-N 3.08Å
26L98.8Very high98.2Very high37 Ų3769 Ų6919%0.19438%0.38CS..Hα-helixtrans-63.2-46.6174.9-72.3170.8000111.2R22 W23 M24 R29 F30 I72R22-L26 WeakPolarHBondContact O-CG 3.34Å; R22-L26 PolarHBondContact O-N 3.06Å; W23-L26 PolarHBondContact O-N 3.26Å; M24-L26 PolarHBondContact O-N 2.85Å; L26-R29 WeakPolarHBondContact O-CB 3.47Å; L26-R29 PolarHBondContact O-N 3.25Å; L26-F30 HydrophobicContact CB-CE2 4.3Å; L26-F30 VanDerWaalsContact O-CD2 3.26Å; L26-F30 WeakPolarHBondContact O-CD2 3.33Å; L26-F30 VanDerWaalsContact O-CG 3.26Å; L26-F30 WeakPolarHBondContact O-CG 3.17Å; L26-F30 PolarHBondContact O-N 3.1Å; L26-I72 HydrophobicContact CB-CD1 3.88Å; L26-I72 HydrophobicContact CB-CG1 4.35Å; L26-I72 HydrophobicContact CD1-CD1 4.47Å; L26-I72 HydrophobicContact CD1-CG1 4.32Å; L26-I72 HydrophobicContact CD1-CG2 3.98Å
27H98.9Very high98.2Very high7 Ų770.1 Ų70.13%0.03238%0.382CS..Hα-helixtrans-57-51176.117159.5000112W23 M24 R29 F30 V31 W82 N86 E88W23-H27 PolarHBondContact O-N 3.35Å; M24-H27 PolarHBondContact O-N 3.47Å; M24-H27 HydrophobicContact SD-CB 4.5Å; H27-R29 VanDerWaalsContact C-N 3.28Å; H27-R29 PolarHBondContact O-N 3.45Å; H27-F30 WeakPolarHBondContact O-CB 3.32Å; H27-F30 PolarHBondContact O-N 3.21Å; H27-V31 WeakPolarHBondContact O-CG2 3.38Å; H27-V31 PolarHBondContact O-N 2.85Å; H27-W82 AromaticContact CD2-CH2 3.99Å; H27-W82 AromaticContact CD2-CZ3 3.63Å; H27-W82 AromaticContact CE1-CZ3 3.88Å; H27-W82 AromaticContact CG-CZ3 3.99Å; H27-W82 AromaticContact NE2-CH2 3.86Å; H27-W82 AromaticContact NE2-CZ3 3.54Å; H27-N86 PolarHBondContact CE1-O 3.08Å; H27-N86 PolarHBondContact NE2-O 3.01Å; H27-E88 IonicContact CE1-OE1 2.71Å; H27-E88 IonicContact CG-OE1 3.73Å; H27-E88 IonicContact ND1-OE1 3.45Å; H27-E88 PolarHBondContact ND1-OE1 3.21Å
28H98.8Very high98.3Very high114 Ų11474 Ų7453%0.52838%0.383SS..Hα-helixtrans-59.8-36.8178.1-68.3166.2000113M24 F30 V31 A32M24-H28 VanDerWaalsContact O-CG 3.31Å; M24-H28 PolarHBondContact O-N 3.05Å; H28-F30 VanDerWaalsContact C-N 3.33Å; H28-V31 PolarHBondContact O-N 3.27Å; H28-A32 PolarHBondContact O-N 3.28Å
29R98.8Very high98.3Very high126 Ų12667.8 Ų67.848%0.47535%0.354SS..Hα-helixtrans-62.1-42.6173.6-177-172.667.3-163.3-0.3111.2S25 L26 H27 A32 D33S25-R29 PolarHBondContact O-N 3.39Å; S25-R29 VanDerWaalsContact O-N 3.08Å; L26-R29 WeakPolarHBondContact O-CB 3.47Å; L26-R29 PolarHBondContact O-N 3.25Å; H27-R29 VanDerWaalsContact C-N 3.28Å; H27-R29 PolarHBondContact O-N 3.45Å; R29-A32 WeakPolarHBondContact O-CB 3.19Å; R29-A32 PolarHBondContact O-N 3Å; R29-D33 PolarHBondContact O-N 3.42Å
30F98.8Very high98.3Very high4 Ų467.3 Ų67.32%0.01833%0.334CS..Hα-helixtrans-67.5-38.4178.7-60.8-32.5000112.7L26 H27 H28 A32 D33 S34 N69 F70 I72 E88L26-F30 HydrophobicContact CB-CE2 4.3Å; L26-F30 VanDerWaalsContact O-CD2 3.26Å; L26-F30 WeakPolarHBondContact O-CD2 3.33Å; L26-F30 VanDerWaalsContact O-CG 3.26Å; L26-F30 WeakPolarHBondContact O-CG 3.17Å; L26-F30 PolarHBondContact O-N 3.1Å; H27-F30 WeakPolarHBondContact O-CB 3.32Å; H27-F30 PolarHBondContact O-N 3.21Å; H28-F30 VanDerWaalsContact C-N 3.33Å; F30-A32 VanDerWaalsContact C-N 3.32Å; F30-A32 PolarHBondContact O-N 2.89Å; F30-D33 PolarHBondContact O-N 2.98Å; F30-S34 PolarHBondContact O-N 3.35Å; F30-S34 PolarHBondContact O-OG 3.25Å; F30-N69 VanDerWaalsContact CE1-O 3.25Å; F30-N69 WeakPolarHBondContact CE1-O 3.36Å; F30-F70 HydrophobicContact CB-CD1 3.55Å; F30-F70 HydrophobicContact CB-CD2 4.43Å; F30-F70 HydrophobicContact CB-CE1 3.69Å; F30-F70 HydrophobicContact CB-CG 3.95Å; F30-F70 HydrophobicContact CB-CZ 4.2Å; F30-F70 AromaticContact CD1-CD1 3.28Å; F30-F70 HydrophobicContact CD1-CD1 3.28Å; F30-F70 AromaticContact CD1-CE1 3.76Å; F30-F70 HydrophobicContact CD1-CE1 3.76Å; F30-F70 HydrophobicContact CD1-CG 4.19Å; F30-F70 HydrophobicContact CD2-CB 3.91Å; F30-F70 HydrophobicContact CD2-CD1 4.08Å; F30-F70 HydrophobicContact CD2-CG 4.2Å; F30-F70 AromaticContact CE1-CD1 3.88Å; F30-F70 HydrophobicContact CE1-CD1 3.88Å; F30-F70 HydrophobicContact CE2-CB 4.14Å; F30-F70 HydrophobicContact CG-CB 4.11Å; F30-F70 AromaticContact CG-CD1 3.38Å; F30-F70 HydrophobicContact CG-CD1 3.38Å; F30-F70 AromaticContact CG-CE1 3.94Å; F30-F70 HydrophobicContact CG-CE1 3.94Å; F30-F70 AromaticContact CG-CG 3.88Å; F30-F70 HydrophobicContact CG-CG 3.88Å; F30-I72 HydrophobicContact CD2-CD1 4.35Å; F30-I72 HydrophobicContact CE2-CD1 3.86Å; F30-I72 HydrophobicContact CE2-CG1 3.61Å; F30-I72 HydrophobicContact CZ-CG1 4.43Å; F30-E88 HydrophobicContact CB-CG 3.96Å
31V98.8Very high98.3Very high40 Ų4063.3 Ų63.324%0.24231%0.313CS..Hα-helixtrans-59.8-43.6170.9175.10000111H27 H28 S34 K35 E88H27-V31 WeakPolarHBondContact O-CG2 3.38Å; H27-V31 PolarHBondContact O-N 2.85Å; H28-V31 PolarHBondContact O-N 3.27Å; V31-S34 PolarHBondContact O-N 3.43Å; V31-K35 PolarHBondContact O-N 3.05Å; V31-K35 VanDerWaalsContact O-N 3.1Å; V31-E88 HydrophobicContact CG2-CG 4.07Å
32A98.6Very high98.4Very high44 Ų4462.1 Ų62.136%0.36430%0.3SS..Hα-helixtrans-64.6-42.3175.200000112.3H28 R29 F30 S34 K35 D36H28-A32 PolarHBondContact O-N 3.28Å; R29-A32 WeakPolarHBondContact O-CB 3.19Å; R29-A32 PolarHBondContact O-N 3Å; F30-A32 VanDerWaalsContact C-N 3.32Å; F30-A32 PolarHBondContact O-N 2.89Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 3.32Å; A32-K35 WeakPolarHBondContact O-CB 3.43Å; A32-K35 PolarHBondContact O-N 3.45Å; A32-K35 VanDerWaalsContact O-N 3.07Å; A32-D36 PolarHBondContact O-N 3.41Å
33D98.5Very high98.4Very high34 Ų3456.1 Ų56.118%0.18228%0.278CS..Hα-helixtrans-58.7-42.4175.4-78.5-37000111.9R29 F30 K35 D36 K37 L68 F70R29-D33 PolarHBondContact O-N 3.42Å; F30-D33 PolarHBondContact O-N 2.98Å; D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.29Å; D33-D36 PolarHBondContact O-N 3.15Å; D33-K37 HydrophobicContact CB-CD 4.39Å; D33-K37 VanDerWaalsContact O-CB 3.24Å; D33-K37 WeakPolarHBondContact O-CB 3.08Å; D33-K37 WeakPolarHBondContact O-CG 3.5Å; D33-K37 PolarHBondContact O-N 3.41Å; D33-K37 VanDerWaalsContact O-N 3.08Å; D33-K37 WeakPolarHBondContact OD1-CE 3.5Å; D33-K37 IonicContact OD1-NZ 2.69Å; D33-K37 PolarHBondContact OD1-NZ 3.38Å; D33-L68 HydrophobicContact CB-CD1 4.15Å; D33-L68 HydrophobicContact CB-CD2 4.45Å; D33-F70 HydrophobicContact CB-CE1 4.09Å; D33-F70 HydrophobicContact CB-CZ 4.41Å
34S97.8Very high98.4Very high1 Ų155 Ų551%0.00727%0.273CS..Hα-helixtrans-66.2-30.3175.7-68.60000112.8F30 V31 A32 F70 E88 E90 H91 I92F30-S34 PolarHBondContact O-N 3.35Å; F30-S34 PolarHBondContact O-OG 3.25Å; V31-S34 PolarHBondContact O-N 3.43Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 3.32Å; S34-F70 WeakPolarHBondContact OG-CE2 3.47Å; S34-F70 VanDerWaalsContact OG-CZ 3.22Å; S34-F70 WeakPolarHBondContact OG-CZ 3.45Å; S34-E88 PolarHBondContact OG-O 3.46Å; S34-E90 WeakPolarHBondContact CB-O 3.41Å; S34-H91 WeakPolarHBondContact O-CB 3.47Å; S34-I92 WeakPolarHBondContact O-CG2 3.46Å
35K97.4Very high98.4Very high142 Ų14252 Ų5262%0.61726%0.258SS*.Hα-helixtrans-72.2-38.1175.9-171.6180178.7-178.90113V31 A32 D33V31-K35 PolarHBondContact O-N 3.05Å; V31-K35 VanDerWaalsContact O-N 3.1Å; A32-K35 WeakPolarHBondContact O-CB 3.43Å; A32-K35 PolarHBondContact O-N 3.45Å; A32-K35 VanDerWaalsContact O-N 3.07Å; D33-K35 VanDerWaalsContact C-N 3.28Å; D33-K35 PolarHBondContact O-N 3.29Å
36D96.5Very high98.4Very high127 Ų12748.6 Ų48.668%0.67924%0.235SC*.Hα-helixtrans-100.7-4.6-168.4-63.9-25.7000113.7A32 D33A32-D36 PolarHBondContact O-N 3.41Å; D33-D36 PolarHBondContact O-N 3.15Å
37K97.3Very high98.4Very high95 Ų9547.1 Ų47.141%0.41323%0.228SC..  trans-133.2157.2-174.8-57.6172178.6162.10111.9D33 P39 L68 I92D33-K37 HydrophobicContact CB-CD 4.39Å; D33-K37 VanDerWaalsContact O-CB 3.24Å; D33-K37 WeakPolarHBondContact O-CB 3.08Å; D33-K37 WeakPolarHBondContact O-CG 3.5Å; D33-K37 PolarHBondContact O-N 3.41Å; D33-K37 VanDerWaalsContact O-N 3.08Å; D33-K37 WeakPolarHBondContact OD1-CE 3.5Å; D33-K37 IonicContact OD1-NZ 2.69Å; D33-K37 PolarHBondContact OD1-NZ 3.38Å; K37-P39 WeakPolarHBondContact O-CD 3.41Å; K37-L68 HydrophobicContact CB-CD1 4.45Å; K37-L68 HydrophobicContact CD-CD1 4.45Å; K37-L68 HydrophobicContact CD-CD2 3.65Å; K37-I92 WeakPolarHBondContact O-CG2 3.46Å
38E97.6Very high98.4Very high181 Ų18147 Ų4785%0.84623%0.228SC*.  trans-120.177.6178.9-63.7-174.9157.800110.6
39P98.4Very high98.4Very high8 Ų841.7 Ų41.75%0.05220%0.203CC..  trans-74.2144.5-177.830.8-36.2000113K37 V42 H66 L68 I92 P94K37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-V42 HydrophobicContact CB-CG2 4.16Å; P39-V42 HydrophobicContact CG-CG2 3.74Å; P39-H66 CarbonylContact C-O 3.54Å; P39-H66 WeakPolarHBondContact CA-O 3.38Å; P39-H66 VanDerWaalsContact CB-O 3.32Å; P39-H66 WeakPolarHBondContact CB-O 3.44Å; P39-L68 HydrophobicContact CB-CB 4.43Å; P39-L68 HydrophobicContact CB-CD1 4.2Å; P39-L68 HydrophobicContact CB-CG 3.96Å; P39-L68 HydrophobicContact CG-CD1 3.8Å; P39-L68 HydrophobicContact CG-CG 4.13Å; P39-I92 HydrophobicContact CG-CB 4.16Å; P39-I92 HydrophobicContact CG-CD1 4.18Å; P39-I92 HydrophobicContact CG-CG2 3.93Å; P39-P94 WeakPolarHBondContact O-CA 3.45Å
40E98.4Very high98.4Very high58 Ų5838 Ų3827%0.27119%0.191SC..SBendtrans-83.1-28.1165.4-63.3-157.3175.400111.9H66 K95 I96E40-H66 HydrophobicContact CB-CB 4.48Å; E40-H66 HydrophobicContact CG-CB 4.3Å; E40-H66 PolarHBondContact N-O 2.99Å; E40-K95 HydrophobicContact CB-CD 4.47Å; E40-K95 PolarHBondContact O-N 3.19Å; E40-K95 IonicContact OE1-NZ 2.9Å; E40-K95 PolarHBondContact OE1-NZ 3Å; E40-K95 WeakPolarHBondContact OE2-CD 3.17Å; E40-K95 WeakPolarHBondContact OE2-CE 3.39Å; E40-K95 IonicContact OE2-NZ 2.72Å; E40-K95 PolarHBondContact OE2-NZ 2.7Å; E40-I96 PolarHBondContact O-N 3.32Å; E40-I96 VanDerWaalsContact O-N 3.15Å
41V98.8Very high98.4Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-130.2133.1-179.5-171.40000110.6F43 L65 A67 L68 I96 V98 L212 L216V41-F43 HydrophobicContact CB-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CD2 3.86Å; V41-F43 HydrophobicContact CG1-CE2 3.41Å; V41-F43 VanDerWaalsContact CG1-CE2 3.41Å; V41-F43 HydrophobicContact CG1-CZ 4.16Å; V41-L65 HydrophobicContact CG2-CB 4.15Å; V41-A67 HydrophobicContact CB-CB 4.18Å; V41-A67 CarbonylContact O-C 3.58Å; V41-A67 WeakPolarHBondContact O-CA 3.21Å; V41-L68 PolarHBondContact O-N 3.36Å; V41-I96 VanDerWaalsContact CA-O 3.31Å; V41-I96 WeakPolarHBondContact CA-O 3.49Å; V41-I96 HydrophobicContact CG1-CB 4.3Å; V41-I96 HydrophobicContact CG2-CB 4.39Å; V41-V98 HydrophobicContact CG1-CG2 4.06Å; V41-L212 HydrophobicContact CG1-CD1 4.43Å; V41-L216 HydrophobicContact CG2-CD1 4.39Å
42V98.9Very high98.4Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-118.5127171.4176.30000109.4P39 L68 F70 I92 P94 I96 V97 V98P39-V42 HydrophobicContact CB-CG2 4.16Å; P39-V42 HydrophobicContact CG-CG2 3.74Å; V42-L68 HydrophobicContact CG2-CB 4.47Å; V42-F70 HydrophobicContact CG1-CD2 3.57Å; V42-F70 HydrophobicContact CG1-CE2 3.74Å; V42-F70 HydrophobicContact CG1-CG 4.35Å; V42-I92 HydrophobicContact CG2-CD1 3.71Å; V42-P94 HydrophobicContact CG2-CB 4.08Å; V42-P94 HydrophobicContact CG2-CG 4.17Å; V42-I96 PolarHBondContact N-O 3.37Å; V42-V97 CarbonylContact O-C 3.5Å; V42-V97 WeakPolarHBondContact O-CA 3.49Å; V42-V98 PolarHBondContact O-N 2.71Å
43F98.9Very high98.2Very high1 Ų140.4 Ų40.40%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-100.2130.6172.2-66.1-115.3000108.7V41 V49 M52 W58 F62 A67 L68 F70 V98 L208 L212V41-F43 HydrophobicContact CB-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CD2 3.86Å; V41-F43 HydrophobicContact CG1-CE2 3.41Å; V41-F43 VanDerWaalsContact CG1-CE2 3.41Å; V41-F43 HydrophobicContact CG1-CZ 4.16Å; F43-V49 HydrophobicContact CB-CG1 3.76Å; F43-M52 HydrophobicContact CE1-SD 4.3Å; F43-W58 HydrophobicContact CB-CH2 4.33Å; F43-W58 HydrophobicContact CD1-CH2 4.37Å; F43-W58 HydrophobicContact CD1-CZ3 4.1Å; F43-W58 AromaticContact CD2-CH2 3.52Å; F43-W58 HydrophobicContact CD2-CH2 3.52Å; F43-W58 HydrophobicContact CD2-CZ3 4.05Å; F43-W58 HydrophobicContact CE1-CZ3 4.18Å; F43-W58 AromaticContact CE2-CH2 3.8Å; F43-W58 HydrophobicContact CE2-CH2 3.8Å; F43-W58 HydrophobicContact CE2-CZ3 4.17Å; F43-W58 AromaticContact CG-CH2 3.85Å; F43-W58 HydrophobicContact CG-CH2 3.85Å; F43-W58 HydrophobicContact CG-CZ3 4.02Å; F43-W58 HydrophobicContact CZ-CH2 4.33Å; F43-W58 HydrophobicContact CZ-CZ3 4.23Å; F43-F62 HydrophobicContact CE1-CD1 4.32Å; F43-F62 HydrophobicContact CE1-CE1 4.36Å; F43-F62 HydrophobicContact CE2-CB 4.48Å; F43-F62 HydrophobicContact CE2-CD1 4.46Å; F43-F62 HydrophobicContact CZ-CB 4.3Å; F43-F62 AromaticContact CZ-CD1 3.6Å; F43-F62 HydrophobicContact CZ-CD1 3.6Å; F43-F62 AromaticContact CZ-CE1 4Å; F43-F62 HydrophobicContact CZ-CE1 4Å; F43-F62 AromaticContact CZ-CG 3.89Å; F43-F62 HydrophobicContact CZ-CG 3.89Å; F43-A67 HydrophobicContact CD2-CB 4.12Å; F43-A67 HydrophobicContact CE2-CB 3.76Å; F43-L68 PolarHBondContact N-O 2.81Å; F43-F70 WeakPolarHBondContact O-CA 3.36Å; F43-F70 PolarHBondContact O-N 3.2Å; F43-V98 HydrophobicContact CB-CB 4.49Å; F43-V98 HydrophobicContact CD1-CB 3.79Å; F43-V98 HydrophobicContact CD1-CG1 3.86Å; F43-V98 HydrophobicContact CD1-CG2 4.1Å; F43-V98 HydrophobicContact CE1-CB 4.2Å; F43-V98 HydrophobicContact CE1-CG1 4.17Å; F43-V98 HydrophobicContact CE1-CG2 4.03Å; F43-V98 HydrophobicContact CE2-CG2 4.47Å; F43-V98 HydrophobicContact CG-CB 4.06Å; F43-V98 HydrophobicContact CG-CG2 4.37Å; F43-V98 HydrophobicContact CZ-CG2 4.2Å; F43-L208 HydrophobicContact CD1-CD2 4.45Å; F43-L208 HydrophobicContact CE1-CD2 3.65Å; F43-L212 HydrophobicContact CE1-CD1 4.45Å; F43-L212 HydrophobicContact CE2-CD1 4.46Å; F43-L212 HydrophobicContact CZ-CD1 3.71Å
44I98.9Very high97.9Very high0 Ų045.5 Ų45.50%022%0.216CC..EExtended strand (participates in β ladder)trans-139.1139.2177.3-166.4171.5000110.6F70 V80 L84 V97 V98 V99 W100I44-F70 HydrophobicContact CB-CB 4.32Å; I44-F70 HydrophobicContact CD1-CB 4.49Å; I44-F70 HydrophobicContact CG1-CB 4.06Å; I44-V80 HydrophobicContact CD1-CG1 3.84Å; I44-V80 HydrophobicContact CG1-CG1 3.96Å; I44-V80 HydrophobicContact CG2-CG1 4.37Å; I44-L84 HydrophobicContact CD1-CD1 4.32Å; I44-L84 HydrophobicContact CD1-CD2 3.39Å; I44-L84 HydrophobicContact CD1-CG 3.63Å; I44-V97 HydrophobicContact CG2-CG1 4.23Å; I44-V98 PolarHBondContact N-O 3.47Å; I44-V99 HydrophobicContact CG2-CG2 4.16Å; I44-V99 WeakPolarHBondContact O-CA 3.45Å; I44-W100 PolarHBondContact O-N 3.08Å; I44-W100 VanDerWaalsContact O-N 3.07Å
45G98.9Very high97.5Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans163.1-151.9-178.800000113.8G71 I72 R83 W100G45-G71 WeakPolarHBondContact O-CA 3.41Å; G45-I72 PolarHBondContact O-N 3.33Å; G45-R83 PolarHBondContact O-NH2 3.24Å; G45-W100 WeakPolarHBondContact CA-O 3.32Å
46D98.9Very high97.1Very high1 Ų146.1 Ų46.11%0.00522%0.223CC..SBendtrans-91.6-155.6-1766440.6000113.6L48 V49 Q50 I72 D75 W100 N104D46-L48 PolarHBondContact O-N 3.46Å; D46-L48 WeakPolarHBondContact OD1-CB 3.42Å; D46-L48 PolarHBondContact OD1-N 2.85Å; D46-V49 PolarHBondContact O-N 2.82Å; D46-V49 VanDerWaalsContact O-N 3.15Å; D46-Q50 PolarHBondContact O-N 2.94Å; D46-I72 CarbonylContact C-O 3.54Å; D46-I72 VanDerWaalsContact CA-O 3.3Å; D46-I72 WeakPolarHBondContact CA-O 3.33Å; D46-D75 HydrophobicContact CB-CB 4.5Å; D46-W100 PolarHBondContact N-O 3.41Å; D46-W100 VanDerWaalsContact N-O 3.11Å; D46-N104 WeakPolarHBondContact CB-ND2 3.33Å
47S98.8Very high96.9Very high7 Ų741 Ų415%0.04920%0.196CC..Hα-helixtrans-61.1-29.8179.448.70000112.6V49 Q50 L51 H195S47-V49 PolarHBondContact O-N 3.31Å; S47-Q50 PolarHBondContact O-N 3.3Å; S47-L51 VanDerWaalsContact O-CB 3.32Å; S47-L51 WeakPolarHBondContact O-CB 3.32Å; S47-L51 VanDerWaalsContact O-CG 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.29Å; S47-L51 PolarHBondContact O-N 3.15Å; S47-H195 WeakPolarHBondContact CB-NE2 3.46Å; S47-H195 PolarHBondContact OG-CD2 2.84Å; S47-H195 VanDerWaalsContact OG-CD2 3.3Å; S47-H195 PolarHBondContact OG-NE2 3.14Å
48L98.8Very high96.9Very high5 Ų536.7 Ų36.73%0.02618%0.177CC..Hα-helixtrans-65-31.9178-66174.3000111.7D46 W100 L139 L196 Y201D46-L48 PolarHBondContact O-N 3.46Å; D46-L48 WeakPolarHBondContact OD1-CB 3.42Å; D46-L48 PolarHBondContact OD1-N 2.85Å; L48-W100 HydrophobicContact CB-CD2 3.98Å; L48-W100 HydrophobicContact CB-CE3 3.68Å; L48-W100 HydrophobicContact CB-CH2 3.92Å; L48-W100 HydrophobicContact CB-CZ2 4.24Å; L48-W100 HydrophobicContact CB-CZ3 3.64Å; L48-W100 HydrophobicContact CD1-CD2 4.38Å; L48-W100 HydrophobicContact CD1-CH2 4.22Å; L48-W100 HydrophobicContact CD1-CZ2 3.82Å; L48-W100 HydrophobicContact CG-CH2 4.5Å; L48-L139 HydrophobicContact CD1-CD1 4.48Å; L48-L196 HydrophobicContact CD2-CG 4.34Å; L48-Y201 WeakPolarHBondContact CA-OH 3.22Å; L48-Y201 WeakPolarHBondContact O-CE1 3.43Å; L48-Y201 PolarHBondContact O-OH 3.48Å
49V98.8Very high96.8Very high1 Ų137.8 Ų37.81%0.00617%0.173CC..Hα-helixtrans-76.1-47.7170.81790000110.6F43 D46 S47 L51 M52 N69 W100F43-V49 HydrophobicContact CB-CG1 3.76Å; D46-V49 PolarHBondContact O-N 2.82Å; D46-V49 VanDerWaalsContact O-N 3.15Å; S47-V49 PolarHBondContact O-N 3.31Å; V49-L51 PolarHBondContact O-N 2.8Å; V49-M52 VanDerWaalsContact O-CB 3.32Å; V49-M52 WeakPolarHBondContact O-CB 3.31Å; V49-M52 PolarHBondContact O-N 2.84Å; V49-N69 PolarHBondContact O-ND2 3.22Å; V49-N69 PolarHBondContact O-OD1 2.98Å; V49-W100 HydrophobicContact CG2-CB 3.62Å; V49-W100 HydrophobicContact CG2-CE3 4.15Å; V49-W100 HydrophobicContact CG2-CG 4.46Å
50Q98.7Very high96.7Very high49 Ų4944.3 Ų44.323%0.22920%0.203CC..Hα-helixtrans-59-50-176-171.2-177.121.900112.3D46 S47 M52 H53 G71D46-Q50 PolarHBondContact O-N 2.94Å; S47-Q50 PolarHBondContact O-N 3.3Å; Q50-M52 VanDerWaalsContact C-N 3.27Å; Q50-M52 PolarHBondContact O-N 3.03Å; Q50-H53 WeakPolarHBondContact O-CB 3.4Å; Q50-H53 PolarHBondContact O-N 3.19Å; Q50-G71 WeakPolarHBondContact CG-O 3.47Å
51L98.3Very high96.7Very high33 Ų3342.4 Ų42.417%0.17320%0.195CC..Hα-helixtrans-73.4-21.5-175.3-62.5175.7000112.1S47 V49 H53 Q54 C55 H195 Y201S47-L51 VanDerWaalsContact O-CB 3.32Å; S47-L51 WeakPolarHBondContact O-CB 3.32Å; S47-L51 VanDerWaalsContact O-CG 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.29Å; S47-L51 PolarHBondContact O-N 3.15Å; V49-L51 PolarHBondContact O-N 2.8Å; L51-H53 PolarHBondContact O-N 2.74Å; L51-Q54 PolarHBondContact O-N 2.98Å; L51-Q54 VanDerWaalsContact O-N 3.08Å; L51-C55 PolarHBondContact O-N 2.92Å; L51-C55 PolarHBondContact O-SG 3.16Å; L51-C55 VanDerWaalsContact O-SG 3.41Å; L51-H195 HydrophobicContact CD1-CB 4.21Å; L51-Y201 HydrophobicContact CB-CE2 4.33Å; L51-Y201 WeakPolarHBondContact CB-OH 3.37Å
52M98.2Very high96.7Very high2 Ų242.4 Ų42.41%0.0120%0.195CC..Hα-helixtrans-57.8-39.3171.1-168.4-172.3-67.800111F43 V49 Q50 Q54 C55 W58 F62 W100 Y201 L208F43-M52 HydrophobicContact CE1-SD 4.3Å; V49-M52 VanDerWaalsContact O-CB 3.32Å; V49-M52 WeakPolarHBondContact O-CB 3.31Å; V49-M52 PolarHBondContact O-N 2.84Å; Q50-M52 VanDerWaalsContact C-N 3.27Å; Q50-M52 PolarHBondContact O-N 3.03Å; M52-Q54 PolarHBondContact O-N 2.81Å; M52-C55 WeakPolarHBondContact O-CB 3.48Å; M52-C55 PolarHBondContact O-N 2.78Å; M52-W58 HydrophobicContact CG-CE3 4.08Å; M52-W58 WeakPolarHBondContact O-CB 3.34Å; M52-W58 HydrophobicContact SD-CE3 4.14Å; M52-W58 HydrophobicContact SD-CZ3 4.15Å; M52-F62 HydrophobicContact CG-CE2 4.21Å; M52-F62 HydrophobicContact SD-CD2 3.97Å; M52-F62 HydrophobicContact SD-CE2 3.45Å; M52-F62 WeakPolarHBondContact SD-CE2 3.43Å; M52-F62 HydrophobicContact SD-CZ 4.14Å; M52-W100 HydrophobicContact CE-CE3 4.14Å; M52-W100 HydrophobicContact CE-CZ3 3.65Å; M52-Y201 HydrophobicContact CB-CD1 4.35Å; M52-Y201 HydrophobicContact CB-CE1 3.73Å; M52-Y201 HydrophobicContact CE-CD1 4.44Å; M52-Y201 HydrophobicContact CE-CE1 4.14Å; M52-Y201 HydrophobicContact CG-CD1 4.19Å; M52-Y201 HydrophobicContact CG-CE1 4.04Å; M52-Y201 PolarHBondContact N-OH 2.69Å; M52-L208 HydrophobicContact CE-CD2 4.34Å
53H96.4Very high96.6Very high104 Ų10445 Ų4548%0.48121%0.213SC..THydrogen-bonded Turntrans-65.3-26.8178.2-170.959.5000113.4Q50 L51 C55 W58 N69Q50-H53 WeakPolarHBondContact O-CB 3.4Å; Q50-H53 PolarHBondContact O-N 3.19Å; L51-H53 PolarHBondContact O-N 2.74Å; H53-C55 VanDerWaalsContact C-N 3.32Å; H53-W58 HydrophobicContact CB-CD2 4.29Å; H53-W58 HydrophobicContact CB-CE3 4.44Å; H53-W58 AromaticContact CE1-CD1 3.72Å; H53-W58 AromaticContact CE1-CE2 4Å; H53-W58 AromaticContact CE1-NE1 3.43Å; H53-W58 PolarHBondContact CE1-NE1 3.33Å; H53-W58 AromaticContact ND1-CD1 3.23Å; H53-W58 AromaticContact ND1-CD2 3.51Å; H53-W58 AromaticContact ND1-CE2 3.22Å; H53-W58 AromaticContact ND1-CG 3.55Å; H53-W58 AromaticContact ND1-CZ2 3.89Å; H53-W58 AromaticContact ND1-NE1 3.03Å; H53-W58 PolarHBondContact ND1-NE1 3.47Å; H53-N69 HydrophobicContact CB-CB 4.19Å
54Q91.3Very high96.6Very high141 Ų14148.9 Ų48.966%0.65924%0.238SC*.THydrogen-bonded Turntrans-82.2-14179.2-60.2-176.1-9.600112.6L51 M52L51-Q54 PolarHBondContact O-N 2.98Å; L51-Q54 VanDerWaalsContact O-N 3.08Å; M52-Q54 PolarHBondContact O-N 2.81Å
55C88.9Confident96.5Very high25 Ų2549.6 Ų49.617%0.16924%0.242CC..SBendtrans-82.8141.2176.4-65.10000110.7L51 M52 H53 I57 W58 Y201L51-C55 PolarHBondContact O-N 2.92Å; L51-C55 PolarHBondContact O-SG 3.16Å; L51-C55 VanDerWaalsContact O-SG 3.41Å; M52-C55 WeakPolarHBondContact O-CB 3.48Å; M52-C55 PolarHBondContact O-N 2.78Å; H53-C55 VanDerWaalsContact C-N 3.32Å; C55-I57 HydrophobicContact CB-CG2 3.78Å; C55-I57 PolarHBondContact O-N 2.97Å; C55-W58 WeakPolarHBondContact O-CB 3.26Å; C55-W58 PolarHBondContact O-N 3.06Å; C55-Y201 WeakPolarHBondContact SG-CD2 3.25Å
56E89.3Confident96.5Very high130 Ų13055.7 Ų55.761%0.60727%0.27SS*.Hα-helixtrans-52.8-32.1177.4-66.8176.6157.800113W58 R59 E60 R198E56-W58 PolarHBondContact O-N 3.33Å; E56-W58 VanDerWaalsContact O-N 3.14Å; E56-R59 PolarHBondContact O-N 3.39Å; E56-E60 PolarHBondContact O-N 3.48Å; E56-R198 IonicContact OE2-CZ 3.42Å; E56-R198 IonicContact OE2-NE 3.38Å; E56-R198 PolarHBondContact OE2-NE 2.67Å; E56-R198 IonicContact OE2-NH2 2.75Å; E56-R198 PolarHBondContact OE2-NH2 2.7Å
57I92.7Very high96.4Very high21 Ų2156.5 Ų56.511%0.10828%0.277CS..Hα-helixtrans-58.4-25.5179-161.3162.7000113.1C55 E60 L61 C205C55-I57 HydrophobicContact CB-CG2 3.78Å; C55-I57 PolarHBondContact O-N 2.97Å; I57-E60 PolarHBondContact O-N 2.85Å; I57-L61 HydrophobicContact CD1-CD1 3.87Å; I57-L61 HydrophobicContact CG1-CD1 3.56Å; I57-L61 HydrophobicContact CG1-CG 3.88Å; I57-L61 WeakPolarHBondContact O-CB 3.48Å; I57-L61 PolarHBondContact O-N 3.13Å; I57-C205 HydrophobicContact CD1-CB 3.62Å; I57-C205 HydrophobicContact CG1-CB 4.11Å; I57-C205 HydrophobicContact CG2-CB 4.4Å
58W97.1Very high96.4Very high4 Ų457 Ų572%0.01528%0.279CS..Hα-helixtrans-62.8-45.5174.9179.2-84.6000111.9F43 M52 H53 C55 E56 E60 F62 S63 A67 N69F43-W58 HydrophobicContact CB-CH2 4.33Å; F43-W58 HydrophobicContact CD1-CH2 4.37Å; F43-W58 HydrophobicContact CD1-CZ3 4.1Å; F43-W58 AromaticContact CD2-CH2 3.52Å; F43-W58 HydrophobicContact CD2-CH2 3.52Å; F43-W58 HydrophobicContact CD2-CZ3 4.05Å; F43-W58 HydrophobicContact CE1-CZ3 4.18Å; F43-W58 AromaticContact CE2-CH2 3.8Å; F43-W58 HydrophobicContact CE2-CH2 3.8Å; F43-W58 HydrophobicContact CE2-CZ3 4.17Å; F43-W58 AromaticContact CG-CH2 3.85Å; F43-W58 HydrophobicContact CG-CH2 3.85Å; F43-W58 HydrophobicContact CG-CZ3 4.02Å; F43-W58 HydrophobicContact CZ-CH2 4.33Å; F43-W58 HydrophobicContact CZ-CZ3 4.23Å; M52-W58 HydrophobicContact CG-CE3 4.08Å; M52-W58 WeakPolarHBondContact O-CB 3.34Å; M52-W58 HydrophobicContact SD-CE3 4.14Å; M52-W58 HydrophobicContact SD-CZ3 4.15Å; H53-W58 HydrophobicContact CB-CD2 4.29Å; H53-W58 HydrophobicContact CB-CE3 4.44Å; H53-W58 AromaticContact CE1-CD1 3.72Å; H53-W58 AromaticContact CE1-CE2 4Å; H53-W58 AromaticContact CE1-NE1 3.43Å; H53-W58 PolarHBondContact CE1-NE1 3.33Å; H53-W58 AromaticContact ND1-CD1 3.23Å; H53-W58 AromaticContact ND1-CD2 3.51Å; H53-W58 AromaticContact ND1-CE2 3.22Å; H53-W58 AromaticContact ND1-CG 3.55Å; H53-W58 AromaticContact ND1-CZ2 3.89Å; H53-W58 AromaticContact ND1-NE1 3.03Å; H53-W58 PolarHBondContact ND1-NE1 3.47Å; C55-W58 WeakPolarHBondContact O-CB 3.26Å; C55-W58 PolarHBondContact O-N 3.06Å; E56-W58 PolarHBondContact O-N 3.33Å; E56-W58 VanDerWaalsContact O-N 3.14Å; W58-E60 PolarHBondContact O-N 2.9Å; W58-F62 HydrophobicContact CD2-CB 3.9Å; W58-F62 HydrophobicContact CD2-CD2 4.17Å; W58-F62 HydrophobicContact CE3-CB 3.91Å; W58-F62 AromaticContact CE3-CD2 3.58Å; W58-F62 HydrophobicContact CE3-CD2 3.58Å; W58-F62 HydrophobicContact CE3-CG 4.11Å; W58-F62 HydrophobicContact CG-CB 4.47Å; W58-F62 HydrophobicContact CH2-CB 4.22Å; W58-F62 HydrophobicContact CZ2-CB 4.22Å; W58-F62 HydrophobicContact CZ3-CB 4.07Å; W58-F62 HydrophobicContact CZ3-CD2 4.02Å; W58-F62 HydrophobicContact CZ3-CG 4.25Å; W58-F62 PolarHBondContact O-N 2.94Å; W58-S63 PolarHBondContact O-N 3.44Å; W58-A67 HydrophobicContact CH2-CB 4.15Å; W58-A67 HydrophobicContact CZ2-CB 3.86Å; W58-N69 HydrophobicContact CH2-CB 3.64Å; W58-N69 HydrophobicContact CZ2-CB 3.88Å; W58-N69 HydrophobicContact CZ3-CB 4.25Å; W58-N69 VanDerWaalsContact CZ3-ND2 3.29Å; W58-N69 WeakPolarHBondContact CZ3-ND2 3.25Å
59R95.6Very high96.4Very high203 Ų20357.7 Ų57.777%0.76628%0.282SS*.Hα-helixtrans-65.9-32.2-179.1-68.6179.863.7-164.6-1.5111.8E56E56-R59 PolarHBondContact O-N 3.39Å
60E96.3Very high96.5Very high145 Ų14557.6 Ų57.668%0.67828%0.282SS*.Hα-helixtrans-77.2-47.5179-170.7-176.2156.700112.1E56 I57 W58 P64E56-E60 PolarHBondContact O-N 3.48Å; I57-E60 PolarHBondContact O-N 2.85Å; W58-E60 PolarHBondContact O-N 2.9Å; E60-P64 WeakPolarHBondContact O-CG 3.26Å
61L97.9Very high96.5Very high19 Ų1955.3 Ų55.310%0.09927%0.271CS..Hα-helixtrans-100.4-36.8-168.7-59.7-172.4000114.4I57 C205 H209I57-L61 HydrophobicContact CD1-CD1 3.87Å; I57-L61 HydrophobicContact CG1-CD1 3.56Å; I57-L61 HydrophobicContact CG1-CG 3.88Å; I57-L61 WeakPolarHBondContact O-CB 3.48Å; I57-L61 PolarHBondContact O-N 3.13Å; L61-C205 HydrophobicContact CD1-CB 4.08Å; L61-H209 HydrophobicContact CB-CB 4.32Å; L61-H209 HydrophobicContact CD1-CB 4.14Å; L61-H209 PolarHBondContact O-CD2 3.13Å; L61-H209 PolarHBondContact O-NE2 2.94Å
62F98.4Very high96.5Very high0 Ų053.9 Ų53.90%026%0.264CS..THydrogen-bonded Turntrans-110.1-30.7-167.7-56.4-56.1000113.5F43 M52 W58 L65 A67 C205 L208 H209 L212F43-F62 HydrophobicContact CE1-CD1 4.32Å; F43-F62 HydrophobicContact CE1-CE1 4.36Å; F43-F62 HydrophobicContact CE2-CB 4.48Å; F43-F62 HydrophobicContact CE2-CD1 4.46Å; F43-F62 HydrophobicContact CZ-CB 4.3Å; F43-F62 AromaticContact CZ-CD1 3.6Å; F43-F62 HydrophobicContact CZ-CD1 3.6Å; F43-F62 AromaticContact CZ-CE1 4Å; F43-F62 HydrophobicContact CZ-CE1 4Å; F43-F62 AromaticContact CZ-CG 3.89Å; F43-F62 HydrophobicContact CZ-CG 3.89Å; M52-F62 HydrophobicContact CG-CE2 4.21Å; M52-F62 HydrophobicContact SD-CD2 3.97Å; M52-F62 HydrophobicContact SD-CE2 3.45Å; M52-F62 WeakPolarHBondContact SD-CE2 3.43Å; M52-F62 HydrophobicContact SD-CZ 4.14Å; W58-F62 HydrophobicContact CD2-CB 3.9Å; W58-F62 HydrophobicContact CD2-CD2 4.17Å; W58-F62 HydrophobicContact CE3-CB 3.91Å; W58-F62 AromaticContact CE3-CD2 3.58Å; W58-F62 HydrophobicContact CE3-CD2 3.58Å; W58-F62 HydrophobicContact CE3-CG 4.11Å; W58-F62 HydrophobicContact CG-CB 4.47Å; W58-F62 HydrophobicContact CH2-CB 4.22Å; W58-F62 HydrophobicContact CZ2-CB 4.22Å; W58-F62 HydrophobicContact CZ3-CB 4.07Å; W58-F62 HydrophobicContact CZ3-CD2 4.02Å; W58-F62 HydrophobicContact CZ3-CG 4.25Å; W58-F62 PolarHBondContact O-N 2.94Å; F62-L65 HydrophobicContact CD1-CD1 4.29Å; F62-L65 WeakPolarHBondContact O-CB 3.22Å; F62-L65 PolarHBondContact O-N 3.15Å; F62-A67 HydrophobicContact CB-CB 4.48Å; F62-A67 WeakPolarHBondContact O-CB 3.47Å; F62-C205 HydrophobicContact CE2-CB 3.84Å; F62-C205 HydrophobicContact CZ-CB 3.85Å; F62-L208 HydrophobicContact CE1-CD2 4.4Å; F62-L208 HydrophobicContact CE1-CG 4.27Å; F62-L208 HydrophobicContact CZ-CB 4.44Å; F62-L208 HydrophobicContact CZ-CD2 4.18Å; F62-L208 HydrophobicContact CZ-CG 4.35Å; F62-H209 HydrophobicContact CE1-CB 3.9Å; F62-H209 HydrophobicContact CZ-CB 4.38Å; F62-L212 HydrophobicContact CD1-CD1 4.11Å; F62-L212 HydrophobicContact CE1-CD1 4.01Å
63S97.4Very high96.5Very high55 Ų5555.6 Ų55.639%0.38528%0.282SS..G310 helixtrans-56.1-41.8172.1-74.10000113.6W58 L65 H66W58-S63 PolarHBondContact O-N 3.44Å; S63-L65 PolarHBondContact O-N 3.1Å; S63-H66 PolarHBondContact O-N 3.04Å; S63-H66 VanDerWaalsContact O-N 3.14Å
64P98.3Very high96.6Very high82 Ų8252.7 Ų52.753%0.53228%0.28SS..G310 helixtrans-63.6-17.5176-2436.1000114.5E60 H66E60-P64 WeakPolarHBondContact O-CG 3.26Å; P64-H66 PolarHBondContact O-N 3.01Å
65L98.1Very high97Very high15 Ų1546 Ų468%0.07925%0.249CC..G310 helixtrans-86.911.6177.6-50.7-175.3000112.7V41 F62 S63 A67 L212 L213 L216V41-L65 HydrophobicContact CG2-CB 4.15Å; F62-L65 HydrophobicContact CD1-CD1 4.29Å; F62-L65 WeakPolarHBondContact O-CB 3.22Å; F62-L65 PolarHBondContact O-N 3.15Å; S63-L65 PolarHBondContact O-N 3.1Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.11Å; L65-L212 HydrophobicContact CD1-CB 4.07Å; L65-L212 HydrophobicContact CD1-CD1 3.94Å; L65-L213 HydrophobicContact CD2-CD2 3.86Å; L65-L216 HydrophobicContact CD1-CD1 4.34Å; L65-L216 HydrophobicContact CD2-CD1 3.96Å
66H97.8Very high97.4Very high128 Ų12845.2 Ų45.259%0.59324%0.244SC*.THydrogen-bonded Turntrans52.851.7-176.1-61.1-93.5000111.7P39 E40 S63 P64P39-H66 CarbonylContact C-O 3.54Å; P39-H66 WeakPolarHBondContact CA-O 3.38Å; P39-H66 VanDerWaalsContact CB-O 3.32Å; P39-H66 WeakPolarHBondContact CB-O 3.44Å; E40-H66 HydrophobicContact CB-CB 4.48Å; E40-H66 HydrophobicContact CG-CB 4.3Å; E40-H66 PolarHBondContact N-O 2.99Å; S63-H66 PolarHBondContact O-N 3.04Å; S63-H66 VanDerWaalsContact O-N 3.14Å; P64-H66 PolarHBondContact O-N 3.01Å
67A98.4Very high97.9Very high18 Ų1839 Ų3915%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-94.3142.9-171.600000114.3V41 F43 W58 F62 L65V41-A67 HydrophobicContact CB-CB 4.18Å; V41-A67 CarbonylContact O-C 3.58Å; V41-A67 WeakPolarHBondContact O-CA 3.21Å; F43-A67 HydrophobicContact CD2-CB 4.12Å; F43-A67 HydrophobicContact CE2-CB 3.76Å; W58-A67 HydrophobicContact CH2-CB 4.15Å; W58-A67 HydrophobicContact CZ2-CB 3.86Å; F62-A67 HydrophobicContact CB-CB 4.48Å; F62-A67 WeakPolarHBondContact O-CB 3.47Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.11Å
68L98.7Very high98.2Very high17 Ų1739 Ų399%0.08921%0.214CC..EExtended strand (participates in β ladder)trans-104149.7162.5-71.1-178.6000111.8D33 K37 P39 V41 V42 F43 F70D33-L68 HydrophobicContact CB-CD1 4.15Å; D33-L68 HydrophobicContact CB-CD2 4.45Å; K37-L68 HydrophobicContact CB-CD1 4.45Å; K37-L68 HydrophobicContact CD-CD1 4.45Å; K37-L68 HydrophobicContact CD-CD2 3.65Å; P39-L68 HydrophobicContact CB-CB 4.43Å; P39-L68 HydrophobicContact CB-CD1 4.2Å; P39-L68 HydrophobicContact CB-CG 3.96Å; P39-L68 HydrophobicContact CG-CD1 3.8Å; P39-L68 HydrophobicContact CG-CG 4.13Å; V41-L68 PolarHBondContact O-N 3.36Å; V42-L68 HydrophobicContact CG2-CB 4.47Å; F43-L68 PolarHBondContact N-O 2.81Å; L68-F70 HydrophobicContact CB-CD1 4.42Å; L68-F70 HydrophobicContact CB-CE1 3.83Å; L68-F70 HydrophobicContact CB-CZ 3.96Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 3.54Å; L68-F70 HydrophobicContact CG-CE1 4.34Å; L68-F70 HydrophobicContact CG-CZ 4.35Å
69N98.8Very high98.3Very high19 Ų1940.1 Ų40.110%0.10222%0.219CC..EExtended strand (participates in β ladder)trans-123109.6178.2-170.1-56.2000110.8F30 V49 H53 W58 G71F30-N69 VanDerWaalsContact CE1-O 3.25Å; F30-N69 WeakPolarHBondContact CE1-O 3.36Å; V49-N69 PolarHBondContact O-ND2 3.22Å; V49-N69 PolarHBondContact O-OD1 2.98Å; H53-N69 HydrophobicContact CB-CB 4.19Å; W58-N69 HydrophobicContact CH2-CB 3.64Å; W58-N69 HydrophobicContact CZ2-CB 3.88Å; W58-N69 HydrophobicContact CZ3-CB 4.25Å; W58-N69 VanDerWaalsContact CZ3-ND2 3.29Å; W58-N69 WeakPolarHBondContact CZ3-ND2 3.25Å; N69-G71 PolarHBondContact OD1-N 3.16Å
70F98.9Very high98.4Very high0 Ų030.4 Ų30.40%018%0.183CC..EExtended strand (participates in β ladder)trans-107.837.2178.8-57.3-21.2000111.5F30 D33 S34 V42 F43 I44 L68 R83 E88F30-F70 HydrophobicContact CB-CD1 3.55Å; F30-F70 HydrophobicContact CB-CD2 4.43Å; F30-F70 HydrophobicContact CB-CE1 3.69Å; F30-F70 HydrophobicContact CB-CG 3.95Å; F30-F70 HydrophobicContact CB-CZ 4.2Å; F30-F70 AromaticContact CD1-CD1 3.28Å; F30-F70 HydrophobicContact CD1-CD1 3.28Å; F30-F70 AromaticContact CD1-CE1 3.76Å; F30-F70 HydrophobicContact CD1-CE1 3.76Å; F30-F70 HydrophobicContact CD1-CG 4.19Å; F30-F70 HydrophobicContact CD2-CB 3.91Å; F30-F70 HydrophobicContact CD2-CD1 4.08Å; F30-F70 HydrophobicContact CD2-CG 4.2Å; F30-F70 AromaticContact CE1-CD1 3.88Å; F30-F70 HydrophobicContact CE1-CD1 3.88Å; F30-F70 HydrophobicContact CE2-CB 4.14Å; F30-F70 HydrophobicContact CG-CB 4.11Å; F30-F70 AromaticContact CG-CD1 3.38Å; F30-F70 HydrophobicContact CG-CD1 3.38Å; F30-F70 AromaticContact CG-CE1 3.94Å; F30-F70 HydrophobicContact CG-CE1 3.94Å; F30-F70 AromaticContact CG-CG 3.88Å; F30-F70 HydrophobicContact CG-CG 3.88Å; D33-F70 HydrophobicContact CB-CE1 4.09Å; D33-F70 HydrophobicContact CB-CZ 4.41Å; S34-F70 WeakPolarHBondContact OG-CE2 3.47Å; S34-F70 VanDerWaalsContact OG-CZ 3.22Å; S34-F70 WeakPolarHBondContact OG-CZ 3.45Å; V42-F70 HydrophobicContact CG1-CD2 3.57Å; V42-F70 HydrophobicContact CG1-CE2 3.74Å; V42-F70 HydrophobicContact CG1-CG 4.35Å; F43-F70 WeakPolarHBondContact O-CA 3.36Å; F43-F70 PolarHBondContact O-N 3.2Å; I44-F70 HydrophobicContact CB-CB 4.32Å; I44-F70 HydrophobicContact CD1-CB 4.49Å; I44-F70 HydrophobicContact CG1-CB 4.06Å; L68-F70 HydrophobicContact CB-CD1 4.42Å; L68-F70 HydrophobicContact CB-CE1 3.83Å; L68-F70 HydrophobicContact CB-CZ 3.96Å; L68-F70 HydrophobicContact CD1-CE1 3.89Å; L68-F70 HydrophobicContact CD1-CZ 3.54Å; L68-F70 HydrophobicContact CG-CE1 4.34Å; L68-F70 HydrophobicContact CG-CZ 4.35Å; F70-R83 PolarHBondContact O-NH1 3.49Å; F70-R83 PolarHBondContact O-NH2 3.08Å; F70-E88 HydrophobicContact CD2-CB 4.16Å; F70-E88 HydrophobicContact CE2-CB 4.24Å; F70-E88 WeakPolarHBondContact CE2-O 3.44Å
71G98.8Very high98.6Very high0 Ų023.8 Ų23.80%015%0.152CC..EExtended strand (participates in β ladder)trans-74.3133.9172.800000112G45 Q50 N69G45-G71 WeakPolarHBondContact O-CA 3.41Å; Q50-G71 WeakPolarHBondContact CG-O 3.47Å; N69-G71 PolarHBondContact OD1-N 3.16Å
72I98.9Very high98.6Very high4 Ų424.9 Ų24.92%0.02116%0.155CC..  trans-129.8119.9171.4-56-174.8000109.6L26 F30 G45 D46 G74 D75L26-I72 HydrophobicContact CB-CD1 3.88Å; L26-I72 HydrophobicContact CB-CG1 4.35Å; L26-I72 HydrophobicContact CD1-CD1 4.47Å; L26-I72 HydrophobicContact CD1-CG1 4.32Å; L26-I72 HydrophobicContact CD1-CG2 3.98Å; F30-I72 HydrophobicContact CD2-CD1 4.35Å; F30-I72 HydrophobicContact CE2-CD1 3.86Å; F30-I72 HydrophobicContact CE2-CG1 3.61Å; F30-I72 HydrophobicContact CZ-CG1 4.43Å; G45-I72 PolarHBondContact O-N 3.33Å; D46-I72 CarbonylContact C-O 3.54Å; D46-I72 VanDerWaalsContact CA-O 3.3Å; D46-I72 WeakPolarHBondContact CA-O 3.33Å; I72-G74 PolarHBondContact O-N 3.08Å; I72-D75 WeakPolarHBondContact O-CB 3.3Å; I72-D75 PolarHBondContact O-N 2.55Å; I72-D75 VanDerWaalsContact O-N 3.15Å
73G98.7Very high98.6Very high37 Ų3724.9 Ų24.938%0.38116%0.155SC..THydrogen-bonded Turntrans-56132.1176.100000112.8D75G73-D75 VanDerWaalsContact C-N 3.34Å
74G98.2Very high98.7Very high44 Ų4422.4 Ų22.445%0.45414%0.137SC..THydrogen-bonded Turntrans86.8-6.3-178.700000115.1I72 S76I72-G74 PolarHBondContact O-N 3.08Å; G74-S76 PolarHBondContact O-N 3.47Å
75D98.9Very high98.7Very high0 Ų022.9 Ų22.90%013%0.132CC..  trans-59.4140.4176.3-93.910.6000111.9W23 D46 I72 G73 H79 V80 R83 N104W23-D75 PolarHBondContact NE1-OD1 3.14Å; D46-D75 HydrophobicContact CB-CB 4.5Å; I72-D75 WeakPolarHBondContact O-CB 3.3Å; I72-D75 PolarHBondContact O-N 2.55Å; I72-D75 VanDerWaalsContact O-N 3.15Å; G73-D75 VanDerWaalsContact C-N 3.34Å; D75-H79 HydrophobicContact CB-CB 4.33Å; D75-H79 IonicContact OD1-ND1 3.54Å; D75-V80 HydrophobicContact CB-CG2 4.11Å; D75-R83 IonicContact OD2-CZ 3.02Å; D75-R83 VanDerWaalsContact OD2-CZ 3.25Å; D75-R83 IonicContact OD2-NE 3.74Å; D75-R83 PolarHBondContact OD2-NE 3.02Å; D75-R83 IonicContact OD2-NH2 2.84Å; D75-R83 PolarHBondContact OD2-NH2 3.44Å; D75-N104 WeakPolarHBondContact O-CB 3.49Å; D75-N104 PolarHBondContact O-ND2 2.78Å
76S98.9Very high98.7Very high9 Ų925.4 Ų25.46%0.06315%0.146CC..  trans-109168.5168.9-74.20000108.5G74 Q78 H79 V80 V101 N104G74-S76 PolarHBondContact O-N 3.47Å; S76-Q78 VanDerWaalsContact C-N 3.25Å; S76-Q78 VanDerWaalsContact CB-NE2 3.34Å; S76-Q78 VanDerWaalsContact CB-OE1 3.29Å; S76-Q78 PolarHBondContact O-N 3.4Å; S76-Q78 VanDerWaalsContact O-N 3.15Å; S76-H79 PolarHBondContact N-ND1 2.86Å; S76-H79 VanDerWaalsContact N-ND1 3.12Å; S76-H79 WeakPolarHBondContact O-CB 3.45Å; S76-H79 PolarHBondContact O-N 3.17Å; S76-V80 PolarHBondContact O-N 3.44Å; S76-V101 VanDerWaalsContact C-CG2 3.49Å; S76-N104 PolarHBondContact OG-O 2.89Å
77T98.9Very high98.8Very high0 Ų019.5 Ų19.50%012%0.12CC..Hα-helixtrans-50.6-42.8-178.351.60000113.6A8 H79 V80 L81 V101 N105 V113 I117 I120A8-T77 WeakPolarHBondContact O-CB 3.4Å; A8-T77 PolarHBondContact O-OG1 3.32Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.22Å; T77-V80 PolarHBondContact O-N 3.06Å; T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 PolarHBondContact O-N 3.27Å; T77-V101 HydrophobicContact CG2-CG1 4.11Å; T77-N105 PolarHBondContact N-OD1 3.41Å; T77-N105 PolarHBondContact OG1-ND2 2.84Å; T77-V113 HydrophobicContact CG2-CG1 4.31Å; T77-I117 HydrophobicContact CG2-CG1 3.8Å; T77-I120 HydrophobicContact CG2-CD1 4.33Å
78Q98.8Very high98.8Very high20 Ų2018.6 Ų18.69%0.09311%0.113CC..Hα-helixtrans-69.1-26.1-178.469.9-78.7-0.100114.3A8 K10 T12 S76 W82 N105A8-Q78 PolarHBondContact O-N 3.1Å; K10-Q78 VanDerWaalsContact O-CB 3.31Å; K10-Q78 WeakPolarHBondContact O-CB 3.28Å; T12-Q78 HydrophobicContact CG2-CB 4.27Å; T12-Q78 HydrophobicContact CG2-CG 3.62Å; T12-Q78 PolarHBondContact N-O 3.39Å; S76-Q78 VanDerWaalsContact C-N 3.25Å; S76-Q78 VanDerWaalsContact CB-NE2 3.34Å; S76-Q78 VanDerWaalsContact CB-OE1 3.29Å; S76-Q78 PolarHBondContact O-N 3.4Å; S76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-W82 PolarHBondContact O-N 3.12Å; Q78-W82 VanDerWaalsContact O-N 3.13Å; Q78-N105 PolarHBondContact OE1-ND2 3.03Å
79H98.9Very high98.7Very high27 Ų2718.1 Ų18.113%0.12511%0.11CC..Hα-helixtrans-75.5-45.2176.4-50149.5000110.2T12 V14 W23 D75 S76 T77 L81 W82 R83T12-H79 WeakPolarHBondContact O-CA 3.49Å; T12-H79 PolarHBondContact O-CD2 3.44Å; V14-H79 HydrophobicContact CG2-CB 4.09Å; V14-H79 WeakPolarHBondContact CG2-ND1 3.46Å; W23-H79 HydrophobicContact CZ2-CB 4.14Å; D75-H79 HydrophobicContact CB-CB 4.33Å; D75-H79 IonicContact OD1-ND1 3.54Å; S76-H79 PolarHBondContact N-ND1 2.86Å; S76-H79 VanDerWaalsContact N-ND1 3.12Å; S76-H79 WeakPolarHBondContact O-CB 3.45Å; S76-H79 PolarHBondContact O-N 3.17Å; T77-H79 VanDerWaalsContact C-N 3.3Å; T77-H79 PolarHBondContact O-N 3.22Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 3.4Å; H79-W82 PolarHBondContact O-N 2.84Å; H79-R83 WeakPolarHBondContact O-CG 3.28Å; H79-R83 PolarHBondContact O-N 3.32Å
80V98.9Very high98.6Very high0 Ų022.1 Ų22.10%013%0.128CC..Hα-helixtrans-59-44.7173.1170.30000110.7I44 D75 S76 T77 W82 R83 L84 V101 I120I44-V80 HydrophobicContact CD1-CG1 3.84Å; I44-V80 HydrophobicContact CG1-CG1 3.96Å; I44-V80 HydrophobicContact CG2-CG1 4.37Å; D75-V80 HydrophobicContact CB-CG2 4.11Å; S76-V80 PolarHBondContact O-N 3.44Å; T77-V80 PolarHBondContact O-N 3.06Å; V80-W82 VanDerWaalsContact C-N 3.33Å; V80-W82 PolarHBondContact O-N 3.39Å; V80-R83 PolarHBondContact O-N 3Å; V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.97Å; V80-V101 HydrophobicContact CB-CG1 4.42Å; V80-V101 HydrophobicContact CG2-CB 4.11Å; V80-V101 HydrophobicContact CG2-CG1 4.15Å; V80-V101 HydrophobicContact CG2-CG2 3.87Å; V80-I120 HydrophobicContact CB-CD1 4.03Å; V80-I120 HydrophobicContact CG1-CD1 3.78Å; V80-I120 HydrophobicContact CG1-CG1 4.23Å; V80-I120 HydrophobicContact CG1-CG2 4.45Å
81L98.9Very high98.6Very high6 Ų628.6 Ų28.63%0.03116%0.158CC..Hα-helixtrans-58.1-47.1177.8-170.668.5000111.2S9 P11 T77 H79 R83 L84 E85 A119 I120 L123S9-L81 WeakPolarHBondContact O-CD2 3.38Å; P11-L81 HydrophobicContact CB-CB 4.43Å; P11-L81 HydrophobicContact CB-CD2 4.14Å; P11-L81 HydrophobicContact CB-CG 4.12Å; P11-L81 HydrophobicContact CG-CD2 4.37Å; T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 PolarHBondContact O-N 3.27Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 3.4Å; L81-R83 PolarHBondContact O-N 2.81Å; L81-L84 PolarHBondContact O-N 3.2Å; L81-E85 WeakPolarHBondContact O-CG 3.37Å; L81-E85 PolarHBondContact O-N 2.95Å; L81-E85 VanDerWaalsContact O-N 3.12Å; L81-A119 HydrophobicContact CD1-CB 4.27Å; L81-A119 HydrophobicContact CD2-CB 4.13Å; L81-I120 HydrophobicContact CB-CG1 4.22Å; L81-I120 HydrophobicContact CD1-CG1 4.07Å; L81-L123 HydrophobicContact CD1-CB 4.01Å; L81-L123 HydrophobicContact CD1-CD2 3.62Å; L81-L123 HydrophobicContact CD1-CG 4.46Å; L81-L123 HydrophobicContact CG-CD2 4.41Å
82W98.9Very high98.6Very high42 Ų4229.1 Ų29.116%0.15916%0.161CC..Hα-helixtrans-59.4-46.4175.9-173.890.5000112P11 P13 W23 M24 H27 Q78 H79 V80 L84 E85 N86P11-W82 HydrophobicContact CB-CB 3.98Å; P13-W82 HydrophobicContact CB-CD2 3.82Å; P13-W82 HydrophobicContact CB-CE3 4.06Å; P13-W82 HydrophobicContact CB-CG 4.36Å; P13-W82 HydrophobicContact CB-CH2 4.22Å; P13-W82 HydrophobicContact CB-CZ2 3.99Å; P13-W82 HydrophobicContact CB-CZ3 4.25Å; P13-W82 HydrophobicContact CG-CD2 4.37Å; P13-W82 HydrophobicContact CG-CZ2 4.19Å; W23-W82 HydrophobicContact CH2-CD2 4.37Å; W23-W82 AromaticContact CH2-CE3 3.49Å; W23-W82 HydrophobicContact CH2-CE3 3.49Å; W23-W82 VanDerWaalsContact CH2-CE3 3.49Å; W23-W82 AromaticContact CH2-CZ3 3.67Å; W23-W82 HydrophobicContact CH2-CZ3 3.67Å; W23-W82 HydrophobicContact CZ3-CE3 4.01Å; W23-W82 HydrophobicContact CZ3-CH2 4.42Å; W23-W82 AromaticContact CZ3-CZ3 3.72Å; W23-W82 HydrophobicContact CZ3-CZ3 3.72Å; M24-W82 HydrophobicContact CE-CH2 3.93Å; M24-W82 HydrophobicContact CE-CZ3 4.47Å; M24-W82 HydrophobicContact SD-CH2 4.15Å; H27-W82 AromaticContact CD2-CH2 3.99Å; H27-W82 AromaticContact CD2-CZ3 3.63Å; H27-W82 AromaticContact CE1-CZ3 3.88Å; H27-W82 AromaticContact CG-CZ3 3.99Å; H27-W82 AromaticContact NE2-CH2 3.86Å; H27-W82 AromaticContact NE2-CZ3 3.54Å; Q78-W82 PolarHBondContact O-N 3.12Å; Q78-W82 VanDerWaalsContact O-N 3.13Å; H79-W82 PolarHBondContact O-N 2.84Å; V80-W82 VanDerWaalsContact C-N 3.33Å; V80-W82 PolarHBondContact O-N 3.39Å; W82-L84 VanDerWaalsContact C-N 3.31Å; W82-L84 PolarHBondContact O-N 3.38Å; W82-E85 PolarHBondContact O-N 3.18Å; W82-E85 VanDerWaalsContact O-N 3.11Å; W82-N86 HydrophobicContact CD2-CB 4.33Å; W82-N86 HydrophobicContact CE3-CB 4.16Å; W82-N86 HydrophobicContact CH2-CB 3.96Å; W82-N86 HydrophobicContact CZ2-CB 4.11Å; W82-N86 HydrophobicContact CZ3-CB 3.99Å; W82-N86 PolarHBondContact NE1-ND2 3.43Å; W82-N86 WeakPolarHBondContact O-CB 3.16Å; W82-N86 PolarHBondContact O-N 2.91Å; W82-N86 PolarHBondContact O-ND2 3.48Å
83R98.9Very high98.5Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-60-41-179.1-75.5-167.7-54.9116.6-12.8112.7W23 G45 F70 D75 H79 V80 L81 N86 E88W23-R83 HydrophobicContact CH2-CG 3.67Å; W23-R83 HydrophobicContact CZ2-CG 3.64Å; G45-R83 PolarHBondContact O-NH2 3.24Å; F70-R83 PolarHBondContact O-NH1 3.49Å; F70-R83 PolarHBondContact O-NH2 3.08Å; D75-R83 IonicContact OD2-CZ 3.02Å; D75-R83 VanDerWaalsContact OD2-CZ 3.25Å; D75-R83 IonicContact OD2-NE 3.74Å; D75-R83 PolarHBondContact OD2-NE 3.02Å; D75-R83 IonicContact OD2-NH2 2.84Å; D75-R83 PolarHBondContact OD2-NH2 3.44Å; H79-R83 WeakPolarHBondContact O-CG 3.28Å; H79-R83 PolarHBondContact O-N 3.32Å; V80-R83 PolarHBondContact O-N 3Å; L81-R83 PolarHBondContact O-N 2.81Å; R83-N86 CarbonylContact O-C 3.54Å; R83-N86 PolarHBondContact O-N 3.2Å; R83-E88 HydrophobicContact CB-CG 4.46Å; R83-E88 WeakPolarHBondContact CB-OE1 3.48Å; R83-E88 VanDerWaalsContact CD-OE1 3.25Å; R83-E88 WeakPolarHBondContact CD-OE1 3.38Å; R83-E88 IonicContact CZ-OE1 3.81Å; R83-E88 IonicContact CZ-OE2 3.63Å; R83-E88 IonicContact NE-OE1 3.82Å; R83-E88 VanDerWaalsContact NH1-CD 3.27Å; R83-E88 IonicContact NH1-OE1 2.85Å; R83-E88 PolarHBondContact NH1-OE1 3.37Å; R83-E88 IonicContact NH1-OE2 2.75Å; R83-E88 PolarHBondContact NH1-OE2 3.13Å; R83-E88 PolarHBondContact O-N 3.06Å
84L98.8Very high98.5Very high3 Ų336.2 Ų36.22%0.01618%0.176CC..Iπ-helixtrans-63.6-39.9175.1-68.6171.5000112.5I44 V80 L81 W82 N86 L89 I120 L123 V124I44-L84 HydrophobicContact CD1-CD1 4.32Å; I44-L84 HydrophobicContact CD1-CD2 3.39Å; I44-L84 HydrophobicContact CD1-CG 3.63Å; V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.97Å; L81-L84 PolarHBondContact O-N 3.2Å; W82-L84 VanDerWaalsContact C-N 3.31Å; W82-L84 PolarHBondContact O-N 3.38Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.44Å; L84-L89 HydrophobicContact CD2-CD1 3.6Å; L84-L89 HydrophobicContact CD2-CD2 4.11Å; L84-L89 HydrophobicContact CD2-CG 3.54Å; L84-I120 HydrophobicContact CD1-CG2 3.75Å; L84-L123 HydrophobicContact CB-CD2 3.57Å; L84-L123 HydrophobicContact CD1-CD2 4.39Å; L84-V124 HydrophobicContact CD1-CG2 4.1Å
85E98.6Very high98.6Very high91 Ų9136.8 Ų36.843%0.42517%0.166SC..Iπ-helixtrans-70.9-21.3176.6-68.4-174.2167.300113.3P11 L81 W82 L123P11-E85 WeakPolarHBondContact CB-OE2 3.41Å; P11-E85 WeakPolarHBondContact CG-OE2 3.33Å; L81-E85 WeakPolarHBondContact O-CG 3.37Å; L81-E85 PolarHBondContact O-N 2.95Å; L81-E85 VanDerWaalsContact O-N 3.12Å; W82-E85 PolarHBondContact O-N 3.18Å; W82-E85 VanDerWaalsContact O-N 3.11Å; E85-L123 HydrophobicContact CB-CD2 4.47Å; E85-L123 HydrophobicContact CG-CD1 3.98Å; E85-L123 HydrophobicContact CG-CD2 3.37Å; E85-L123 HydrophobicContact CG-CG 4.32Å
86N98.8Very high98.6Very high68 Ų6836.8 Ų36.836%0.36417%0.166SC..Iπ-helixtrans-111.839.4-171.5-69.7-94.3000112.3H27 W82 R83 L84H27-N86 PolarHBondContact CE1-O 3.08Å; H27-N86 PolarHBondContact NE2-O 3.01Å; W82-N86 HydrophobicContact CD2-CB 4.33Å; W82-N86 HydrophobicContact CE3-CB 4.16Å; W82-N86 HydrophobicContact CH2-CB 3.96Å; W82-N86 HydrophobicContact CZ2-CB 4.11Å; W82-N86 HydrophobicContact CZ3-CB 3.99Å; W82-N86 PolarHBondContact NE1-ND2 3.43Å; W82-N86 WeakPolarHBondContact O-CB 3.16Å; W82-N86 PolarHBondContact O-N 2.91Å; W82-N86 PolarHBondContact O-ND2 3.48Å; R83-N86 CarbonylContact O-C 3.54Å; R83-N86 PolarHBondContact O-N 3.2Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.44Å
87G98.3Very high98.6Very high4 Ų436.4 Ų36.44%0.04116%0.163CC..Iπ-helixtrans110.3-13.8161.800000116.6L89 E90G87-L89 PolarHBondContact O-N 3.25Å; G87-E90 WeakPolarHBondContact O-CB 3.48Å; G87-E90 PolarHBondContact O-N 3.4Å
88E98.6Very high98.6Very high0 Ų036.5 Ų36.50%016%0.163CC..Iπ-helixtrans-68.7-19.1-176-70.8-173.2-162.400113.9H27 F30 V31 S34 F70 R83H27-E88 IonicContact CE1-OE1 2.71Å; H27-E88 IonicContact CG-OE1 3.73Å; H27-E88 IonicContact ND1-OE1 3.45Å; H27-E88 PolarHBondContact ND1-OE1 3.21Å; F30-E88 HydrophobicContact CB-CG 3.96Å; V31-E88 HydrophobicContact CG2-CG 4.07Å; S34-E88 PolarHBondContact OG-O 3.46Å; F70-E88 HydrophobicContact CD2-CB 4.16Å; F70-E88 HydrophobicContact CE2-CB 4.24Å; F70-E88 WeakPolarHBondContact CE2-O 3.44Å; R83-E88 HydrophobicContact CB-CG 4.46Å; R83-E88 WeakPolarHBondContact CB-OE1 3.48Å; R83-E88 VanDerWaalsContact CD-OE1 3.25Å; R83-E88 WeakPolarHBondContact CD-OE1 3.38Å; R83-E88 IonicContact CZ-OE1 3.81Å; R83-E88 IonicContact CZ-OE2 3.63Å; R83-E88 IonicContact NE-OE1 3.82Å; R83-E88 VanDerWaalsContact NH1-CD 3.27Å; R83-E88 IonicContact NH1-OE1 2.85Å; R83-E88 PolarHBondContact NH1-OE1 3.37Å; R83-E88 IonicContact NH1-OE2 2.75Å; R83-E88 PolarHBondContact NH1-OE2 3.13Å; R83-E88 PolarHBondContact O-N 3.06Å
89L97.8Very high98.6Very high6 Ų635.5 Ų35.53%0.03116%0.159CC..THydrogen-bonded Turntrans-104.912171.7-68-172.6000113.9L84 G87 I92 V124 L127 Q128L84-L89 HydrophobicContact CD2-CD1 3.6Å; L84-L89 HydrophobicContact CD2-CD2 4.11Å; L84-L89 HydrophobicContact CD2-CG 3.54Å; G87-L89 PolarHBondContact O-N 3.25Å; L89-I92 HydrophobicContact CD2-CD1 3.97Å; L89-V124 HydrophobicContact CD1-CG2 4.18Å; L89-L127 HydrophobicContact CB-CD1 4.39Å; L89-L127 HydrophobicContact CD1-CB 4.4Å; L89-L127 HydrophobicContact CD1-CD1 4.32Å; L89-Q128 HydrophobicContact CB-CG 4.28Å; L89-Q128 HydrophobicContact CD1-CG 3.98Å; L89-Q128 PolarHBondContact O-NE2 2.85Å
90E96.6Very high98.6Very high104 Ų10434.3 Ų34.349%0.48615%0.153SC..SBendtrans-81156.2174-66.6-177.6-179.200111S34 G87 I92S34-E90 WeakPolarHBondContact CB-O 3.41Å; G87-E90 WeakPolarHBondContact O-CB 3.48Å; G87-E90 PolarHBondContact O-N 3.4Å; E90-I92 PolarHBondContact O-N 2.64Å
91H98.1Very high98.6Very high135 Ų13534.5 Ų34.563%0.62515%0.154SC*.SBendtrans63.1-8.7175.9-50.8-59.1000117.4S34S34-H91 WeakPolarHBondContact O-CB 3.47Å
92I98.5Very high98.6Very high11 Ų1134.2 Ų34.26%0.05615%0.153CC..  trans-107162.9176.861.3173.7000112.3S34 K37 P39 V42 L89 E90 P94 Q128S34-I92 WeakPolarHBondContact O-CG2 3.46Å; K37-I92 WeakPolarHBondContact O-CG2 3.46Å; P39-I92 HydrophobicContact CG-CB 4.16Å; P39-I92 HydrophobicContact CG-CD1 4.18Å; P39-I92 HydrophobicContact CG-CG2 3.93Å; V42-I92 HydrophobicContact CG2-CD1 3.71Å; L89-I92 HydrophobicContact CD2-CD1 3.97Å; E90-I92 PolarHBondContact O-N 2.64Å; I92-P94 HydrophobicContact CD1-CG 4.32Å; I92-Q128 PolarHBondContact O-NE2 2.93Å; I92-Q128 PolarHBondContact O-OE1 3.04Å
93R98.4Very high98.6Very high190 Ų19032.7 Ų32.772%0.71715%0.148SC*.  trans-140.765.8174.5-165.1-179.6177.4-132.5-1.3111.1Q130R93-Q130 HydrophobicContact CG-CG 4.05Å; R93-Q130 VanDerWaalsContact CG-NE2 3.34Å
94P98.5Very high98.5Very high0 Ų033.5 Ų33.50%015%0.153CC..  trans-64.3152.8-177.828.7-35.7000111.5P39 V42 I92 V97 Q130 A131P39-P94 WeakPolarHBondContact O-CA 3.45Å; V42-P94 HydrophobicContact CG2-CB 4.08Å; V42-P94 HydrophobicContact CG2-CG 4.17Å; I92-P94 HydrophobicContact CD1-CG 4.32Å; P94-V97 HydrophobicContact CG-CG2 3.92Å; P94-Q130 PolarHBondContact O-NE2 3.23Å; P94-A131 WeakPolarHBondContact O-CB 3.14Å
95K98.6Very high98.5Very high57 Ų5733.4 Ų33.425%0.24815%0.152CC..SBendtrans-81.2-33.4170-61.7177.6-171.1165.30110.8E40 A131 R132 L216E40-K95 HydrophobicContact CB-CD 4.47Å; E40-K95 PolarHBondContact O-N 3.19Å; E40-K95 IonicContact OE1-NZ 2.9Å; E40-K95 PolarHBondContact OE1-NZ 3Å; E40-K95 WeakPolarHBondContact OE2-CD 3.17Å; E40-K95 WeakPolarHBondContact OE2-CE 3.39Å; E40-K95 IonicContact OE2-NZ 2.72Å; E40-K95 PolarHBondContact OE2-NZ 2.7Å; K95-A131 CarbonylContact O-C 3.56Å; K95-A131 WeakPolarHBondContact O-CA 3.44Å; K95-R132 PolarHBondContact O-N 3.47Å; K95-L216 HydrophobicContact CB-CD2 4.03Å; K95-L216 HydrophobicContact CD-CD2 3.8Å
96I98.8Very high98.4Very high0 Ų034.3 Ų34.30%016%0.156CC..EExtended strand (participates in β ladder)trans-135.2135.1-179.5-53175.9000110.9E40 V41 V42 V98 R132 V134 L212 L215 L216E40-I96 PolarHBondContact O-N 3.32Å; E40-I96 VanDerWaalsContact O-N 3.15Å; V41-I96 VanDerWaalsContact CA-O 3.31Å; V41-I96 WeakPolarHBondContact CA-O 3.49Å; V41-I96 HydrophobicContact CG1-CB 4.3Å; V41-I96 HydrophobicContact CG2-CB 4.39Å; V42-I96 PolarHBondContact N-O 3.37Å; I96-V98 HydrophobicContact CG2-CG2 4.2Å; I96-R132 CarbonylContact C-O 3.58Å; I96-R132 VanDerWaalsContact CA-O 3.31Å; I96-R132 WeakPolarHBondContact CA-O 3.46Å; I96-V134 HydrophobicContact CG2-CG2 3.87Å; I96-L212 HydrophobicContact CB-CD2 4.42Å; I96-L212 HydrophobicContact CD1-CD2 3.82Å; I96-L212 HydrophobicContact CG2-CD2 3.72Å; I96-L215 HydrophobicContact CD1-CB 3.63Å; I96-L215 HydrophobicContact CD1-CD1 4.23Å; I96-L216 HydrophobicContact CD1-CD2 3.96Å; I96-L216 HydrophobicContact CD1-CG 3.82Å; I96-L216 HydrophobicContact CG1-CD2 4.34Å
97V98.9Very high98.3Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-112.8121.9166.1-178.70000108.9V42 I44 P94 V99 V124 A131 R132 V133 V134V42-V97 CarbonylContact O-C 3.5Å; V42-V97 WeakPolarHBondContact O-CA 3.49Å; I44-V97 HydrophobicContact CG2-CG1 4.23Å; P94-V97 HydrophobicContact CG-CG2 3.92Å; V97-V99 HydrophobicContact CG1-CG2 4.24Å; V97-V124 HydrophobicContact CB-CG1 3.92Å; V97-V124 HydrophobicContact CG1-CG1 4.26Å; V97-V124 HydrophobicContact CG1-CG2 4.21Å; V97-V124 HydrophobicContact CG2-CG1 3.82Å; V97-A131 HydrophobicContact CG2-CB 4.2Å; V97-R132 PolarHBondContact N-O 3.12Å; V97-V133 CarbonylContact O-C 3.54Å; V97-V133 WeakPolarHBondContact O-CA 3.42Å; V97-V134 PolarHBondContact O-N 3.15Å
98V98.9Very high98.3Very high2 Ų237.1 Ų37.11%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-97.8122.5176.8-176.60000108.8V41 V42 F43 I44 I96 V134 L136 L208 L212V41-V98 HydrophobicContact CG1-CG2 4.06Å; V42-V98 PolarHBondContact O-N 2.71Å; F43-V98 HydrophobicContact CB-CB 4.49Å; F43-V98 HydrophobicContact CD1-CB 3.79Å; F43-V98 HydrophobicContact CD1-CG1 3.86Å; F43-V98 HydrophobicContact CD1-CG2 4.1Å; F43-V98 HydrophobicContact CE1-CB 4.2Å; F43-V98 HydrophobicContact CE1-CG1 4.17Å; F43-V98 HydrophobicContact CE1-CG2 4.03Å; F43-V98 HydrophobicContact CE2-CG2 4.47Å; F43-V98 HydrophobicContact CG-CB 4.06Å; F43-V98 HydrophobicContact CG-CG2 4.37Å; F43-V98 HydrophobicContact CZ-CG2 4.2Å; I44-V98 PolarHBondContact N-O 3.47Å; I96-V98 HydrophobicContact CG2-CG2 4.2Å; V98-V134 CarbonylContact C-O 3.47Å; V98-V134 WeakPolarHBondContact CA-O 3.46Å; V98-V134 HydrophobicContact CG2-CB 4.4Å; V98-L136 HydrophobicContact CG1-CD1 3.39Å; V98-L208 HydrophobicContact CG1-CD1 4.25Å; V98-L208 HydrophobicContact CG1-CD2 4.23Å; V98-L212 HydrophobicContact CG2-CD1 4.44Å; V98-L212 HydrophobicContact CG2-CD2 3.86Å
99V98.9Very high98.3Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-113.3124.2-179179.60000109.2I44 V97 V101 I120 V133 V134 V135 L136I44-V99 HydrophobicContact CG2-CG2 4.16Å; I44-V99 WeakPolarHBondContact O-CA 3.45Å; V97-V99 HydrophobicContact CG1-CG2 4.24Å; V99-V101 HydrophobicContact CG1-CG1 4.07Å; V99-I120 HydrophobicContact CG1-CG2 3.87Å; V99-I120 HydrophobicContact CG2-CG2 3.86Å; V99-V133 HydrophobicContact CG2-CG1 3.96Å; V99-V134 PolarHBondContact N-O 2.99Å; V99-V135 HydrophobicContact CB-CG2 4.37Å; V99-V135 WeakPolarHBondContact O-CA 3.28Å; V99-L136 PolarHBondContact O-N 3.23Å
100W98.9Very high98.4Very high2 Ų240.2 Ų40.21%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-143.292173.7-163.520.6000110.9I44 G45 D46 L48 V49 M52 L136 G137 L139 L196 Y201 V204I44-W100 PolarHBondContact O-N 3.08Å; I44-W100 VanDerWaalsContact O-N 3.07Å; G45-W100 WeakPolarHBondContact CA-O 3.32Å; D46-W100 PolarHBondContact N-O 3.41Å; D46-W100 VanDerWaalsContact N-O 3.11Å; L48-W100 HydrophobicContact CB-CD2 3.98Å; L48-W100 HydrophobicContact CB-CE3 3.68Å; L48-W100 HydrophobicContact CB-CH2 3.92Å; L48-W100 HydrophobicContact CB-CZ2 4.24Å; L48-W100 HydrophobicContact CB-CZ3 3.64Å; L48-W100 HydrophobicContact CD1-CD2 4.38Å; L48-W100 HydrophobicContact CD1-CH2 4.22Å; L48-W100 HydrophobicContact CD1-CZ2 3.82Å; L48-W100 HydrophobicContact CG-CH2 4.5Å; V49-W100 HydrophobicContact CG2-CB 3.62Å; V49-W100 HydrophobicContact CG2-CE3 4.15Å; V49-W100 HydrophobicContact CG2-CG 4.46Å; M52-W100 HydrophobicContact CE-CE3 4.14Å; M52-W100 HydrophobicContact CE-CZ3 3.65Å; W100-L136 HydrophobicContact CB-CB 4Å; W100-L136 HydrophobicContact CD2-CB 3.91Å; W100-L136 HydrophobicContact CD2-CD2 3.55Å; W100-L136 HydrophobicContact CD2-CG 4.31Å; W100-L136 HydrophobicContact CE3-CD2 3.65Å; W100-L136 HydrophobicContact CG-CB 3.53Å; W100-L136 HydrophobicContact CG-CD2 4.02Å; W100-L136 HydrophobicContact CG-CG 4.28Å; W100-L136 HydrophobicContact CH2-CD2 4.16Å; W100-L136 HydrophobicContact CZ2-CD2 4.02Å; W100-L136 HydrophobicContact CZ3-CD2 3.96Å; W100-G137 PolarHBondContact NE1-O 3.43Å; W100-L139 HydrophobicContact CH2-CD1 4Å; W100-L139 HydrophobicContact CZ2-CD1 3.61Å; W100-L139 HydrophobicContact CZ2-CG 3.8Å; W100-L196 HydrophobicContact CH2-CD1 4.13Å; W100-Y201 HydrophobicContact CZ3-CE1 4.49Å; W100-V204 HydrophobicContact CH2-CG1 3.69Å; W100-V204 HydrophobicContact CZ2-CG1 4.42Å; W100-V204 HydrophobicContact CZ3-CG1 4.23Å
101V98.9Very high98.4Very high3 Ų340 Ų402%0.01820%0.196CC..  trans-153.7148.2-177.5630000109.9S76 T77 V80 V99 I120S76-V101 VanDerWaalsContact C-CG2 3.49Å; T77-V101 HydrophobicContact CG2-CG1 4.11Å; V80-V101 HydrophobicContact CB-CG1 4.42Å; V80-V101 HydrophobicContact CG2-CB 4.11Å; V80-V101 HydrophobicContact CG2-CG1 4.15Å; V80-V101 HydrophobicContact CG2-CG2 3.87Å; V99-V101 HydrophobicContact CG1-CG1 4.07Å; V101-I120 HydrophobicContact CG1-CD1 3.64Å
102G98.8Very high98.5Very high1 Ų136.2 Ų36.21%0.0118%0.179CC..  trans147.9-22.317200000113.5N104 N105G102-N104 PolarHBondContact O-N 3.15Å; G102-N105 WeakPolarHBondContact CA-OD1 3.39Å; G102-N105 WeakPolarHBondContact O-CB 3.31Å; G102-N105 PolarHBondContact O-N 3.35Å; G102-N105 PolarHBondContact O-OD1 3.49Å
103T98.8Very high98.5Very high9 Ų935.7 Ų35.76%0.05518%0.176CC..THydrogen-bonded Turntrans-69-22.6-175.9-1630000113.4R141 N152 L194T103-R141 PolarHBondContact O-NH1 3.45Å; T103-R141 WeakPolarHBondContact OG1-CD 3.44Å; T103-R141 PolarHBondContact OG1-NH1 3.2Å; T103-N152 PolarHBondContact OG1-ND2 2.77Å; T103-L194 HydrophobicContact CG2-CD1 4.32Å
104N98.8Very high98.5Very high17 Ų1727.1 Ų27.19%0.09115%0.145CC..THydrogen-bonded Turntrans-90-1.9178.7-58.8-38.7000113.8D46 D75 S76 G102 H106D46-N104 WeakPolarHBondContact CB-ND2 3.33Å; D75-N104 WeakPolarHBondContact O-CB 3.49Å; D75-N104 PolarHBondContact O-ND2 2.78Å; S76-N104 PolarHBondContact OG-O 2.89Å; G102-N104 PolarHBondContact O-N 3.15Å; N104-H106 PolarHBondContact O-CD2 2.84Å; N104-H106 PolarHBondContact O-N 3.31Å
105N98.7Very high98.5Very high1 Ų128.1 Ų28.11%0.00516%0.156CC..  trans-75.261.2175.3-72.284.6000110.8T77 Q78 G102 S107 H108 V113 K151T77-N105 PolarHBondContact N-OD1 3.41Å; T77-N105 PolarHBondContact OG1-ND2 2.84Å; Q78-N105 PolarHBondContact OE1-ND2 3.03Å; G102-N105 WeakPolarHBondContact CA-OD1 3.39Å; G102-N105 WeakPolarHBondContact O-CB 3.31Å; G102-N105 PolarHBondContact O-N 3.35Å; G102-N105 PolarHBondContact O-OD1 3.49Å; N105-S107 PolarHBondContact O-N 2.89Å; N105-H108 HydrophobicContact CB-CB 4.29Å; N105-H108 PolarHBondContact ND2-ND1 3Å; N105-H108 PolarHBondContact O-N 2.86Å; N105-V113 HydrophobicContact CB-CG2 3.44Å; N105-V113 VanDerWaalsContact CB-CG2 3.44Å; N105-K151 PolarHBondContact O-NZ 3.44Å
106H96.6Very high98.5Very high111 Ų11125.4 Ų25.451%0.51414%0.144SC..THydrogen-bonded Turntrans-58.5-43.5-167.4-61.3-58000113.7N104 H108 K151N104-H106 PolarHBondContact O-CD2 2.84Å; N104-H106 PolarHBondContact O-N 3.31Å; H106-H108 PolarHBondContact O-N 3.07Å; H106-K151 PolarHBondContact O-NZ 3.45Å
107S95.6Very high98.5Very high107 Ų10725.7 Ų25.775%0.74815%0.145SC*.THydrogen-bonded Turntrans-82.8-3.5-176.2530000115.1N105N105-S107 PolarHBondContact O-N 2.89Å
108H98.5Very high98.5Very high24 Ų2430.1 Ų30.111%0.11116%0.164CC..SBendtrans-100.5152-174.9-56.6139.4000112.5N105 H106 Q112 V113 K151N105-H108 HydrophobicContact CB-CB 4.29Å; N105-H108 PolarHBondContact ND2-ND1 3Å; N105-H108 PolarHBondContact O-N 2.86Å; H106-H108 PolarHBondContact O-N 3.07Å; H108-Q112 VanDerWaalsContact CA-OE1 3.25Å; H108-Q112 HydrophobicContact CB-CB 3.95Å; H108-V113 HydrophobicContact CB-CG2 3.89Å; H108-K151 WeakPolarHBondContact O-CE 3.18Å; H108-K151 PolarHBondContact O-NZ 2.85Å
109T98.7Very high98.5Very high67 Ų6730.8 Ų30.841%0.41117%0.17SC..  trans-72.4165.8171.480.50000111.4E111 Q112 V113T109-E111 WeakPolarHBondContact CB-OE2 3.4Å; T109-E111 PolarHBondContact O-N 2.81Å; T109-E111 PolarHBondContact OG1-N 3.15Å; T109-E111 PolarHBondContact OG1-OE2 3.37Å; T109-Q112 PolarHBondContact O-N 3.07Å; T109-Q112 PolarHBondContact OG1-N 2.68Å; T109-V113 WeakPolarHBondContact O-CG2 3.42Å; T109-V113 PolarHBondContact O-N 2.77Å
110A98.7Very high98.5Very high4 Ų430.8 Ų30.83%0.03317%0.17CC..Hα-helixtrans-59.9-37.2176.200000112.1V113 T114 K151 Q154 V155 L158A110-V113 PolarHBondContact O-N 2.85Å; A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 PolarHBondContact O-N 3.02Å; A110-T114 PolarHBondContact O-OG1 3.38Å; A110-K151 HydrophobicContact CB-CG 4.46Å; A110-Q154 HydrophobicContact CB-CB 3.89Å; A110-Q154 HydrophobicContact CB-CG 3.88Å; A110-V155 HydrophobicContact CB-CG2 3.76Å; A110-L158 HydrophobicContact CB-CD1 4.45Å
111E98.7Very high98.5Very high98 Ų9830.9 Ų30.946%0.45817%0.171SC..Hα-helixtrans-67-41.6177.8-57.873.3-160.300111.3T109 T114 G115 Q154 L158T109-E111 WeakPolarHBondContact CB-OE2 3.4Å; T109-E111 PolarHBondContact O-N 2.81Å; T109-E111 PolarHBondContact OG1-N 3.15Å; T109-E111 PolarHBondContact OG1-OE2 3.37Å; E111-T114 WeakPolarHBondContact O-CB 3.42Å; E111-T114 PolarHBondContact O-N 3.46Å; E111-G115 PolarHBondContact O-N 2.75Å; E111-Q154 PolarHBondContact OE1-NE2 3.43Å; E111-L158 HydrophobicContact CG-CD1 4.1Å
112Q98.8Very high98.4Very high57 Ų5736.8 Ų36.827%0.26620%0.198SC..Hα-helixtrans-62.8-48.3175.4-74.6177.8-32.900111.1N6 A8 H108 T109 T114 G115 G116N6-Q112 PolarHBondContact ND2-O 2.93Å; N6-Q112 WeakPolarHBondContact OD1-CA 3.42Å; N6-Q112 WeakPolarHBondContact OD1-CB 3.33Å; N6-Q112 WeakPolarHBondContact OD1-CG 3.32Å; A8-Q112 HydrophobicContact CB-CB 4.28Å; A8-Q112 VanDerWaalsContact CB-O 3.27Å; A8-Q112 WeakPolarHBondContact CB-O 3.37Å; H108-Q112 VanDerWaalsContact CA-OE1 3.25Å; H108-Q112 HydrophobicContact CB-CB 3.95Å; T109-Q112 PolarHBondContact O-N 3.07Å; T109-Q112 PolarHBondContact OG1-N 2.68Å; Q112-T114 VanDerWaalsContact C-N 3.32Å; Q112-T114 PolarHBondContact O-N 3.11Å; Q112-G115 CarbonylContact O-C 3.51Å; Q112-G115 WeakPolarHBondContact O-CA 3.39Å; Q112-G115 PolarHBondContact O-N 2.95Å; Q112-G116 PolarHBondContact O-N 3.06Å
113V98.9Very high98.4Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-60-43.6176.4178.40000111.1T77 N105 H108 T109 A110 G115 G116 I117 V155T77-V113 HydrophobicContact CG2-CG1 4.31Å; N105-V113 HydrophobicContact CB-CG2 3.44Å; N105-V113 VanDerWaalsContact CB-CG2 3.44Å; H108-V113 HydrophobicContact CB-CG2 3.89Å; T109-V113 WeakPolarHBondContact O-CG2 3.42Å; T109-V113 PolarHBondContact O-N 2.77Å; A110-V113 PolarHBondContact O-N 2.85Å; V113-G115 VanDerWaalsContact C-N 3.29Å; V113-G115 PolarHBondContact O-N 2.97Å; V113-G116 WeakPolarHBondContact O-CA 3.37Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.09Å; V113-I117 HydrophobicContact CG1-CD1 4.09Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.25Å; V113-V155 HydrophobicContact CB-CG2 3.96Å; V113-V155 HydrophobicContact CG1-CG1 4.05Å; V113-V155 HydrophobicContact CG1-CG2 4.04Å
114T98.9Very high98.4Very high10 Ų1037.1 Ų37.16%0.06120%0.199CC..Hα-helixtrans-57.2-44.2173.4-58.70000111A110 E111 Q112 G116 I117 K118 L158 V159A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 PolarHBondContact O-N 3.02Å; A110-T114 PolarHBondContact O-OG1 3.38Å; E111-T114 WeakPolarHBondContact O-CB 3.42Å; E111-T114 PolarHBondContact O-N 3.46Å; Q112-T114 VanDerWaalsContact C-N 3.32Å; Q112-T114 PolarHBondContact O-N 3.11Å; T114-G116 VanDerWaalsContact C-N 3.33Å; T114-G116 PolarHBondContact O-N 3.12Å; T114-I117 PolarHBondContact O-N 3.35Å; T114-K118 HydrophobicContact CG2-CD 4.02Å; T114-K118 HydrophobicContact CG2-CG 4.46Å; T114-K118 WeakPolarHBondContact O-CB 3.17Å; T114-K118 VanDerWaalsContact O-CG 3.27Å; T114-K118 WeakPolarHBondContact O-CG 3.43Å; T114-K118 PolarHBondContact O-N 3.13Å; T114-L158 HydrophobicContact CG2-CB 3.74Å; T114-L158 WeakPolarHBondContact OG1-CB 3.37Å; T114-V159 HydrophobicContact CG2-CG2 3.91Å
115G98.6Very high98.3Very high21 Ų2137.7 Ų37.722%0.21620%0.202CC..Hα-helixtrans-60.5-39.9174.800000112.9E111 Q112 V113 K118 A119E111-G115 PolarHBondContact O-N 2.75Å; Q112-G115 CarbonylContact O-C 3.51Å; Q112-G115 WeakPolarHBondContact O-CA 3.39Å; Q112-G115 PolarHBondContact O-N 2.95Å; V113-G115 VanDerWaalsContact C-N 3.29Å; V113-G115 PolarHBondContact O-N 2.97Å; G115-K118 PolarHBondContact O-N 3.48Å; G115-A119 WeakPolarHBondContact O-CB 3.34Å; G115-A119 PolarHBondContact O-N 3.3Å
116G98.8Very high98.3Very high0 Ų045.5 Ų45.50%024%0.236CC..Hα-helixtrans-62.3-47.3173.300000113A8 Q112 V113 T114 K118 A119 I120A8-G116 VanDerWaalsContact O-CA 3.22Å; A8-G116 WeakPolarHBondContact O-CA 3.25Å; Q112-G116 PolarHBondContact O-N 3.06Å; V113-G116 WeakPolarHBondContact O-CA 3.37Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.09Å; T114-G116 VanDerWaalsContact C-N 3.33Å; T114-G116 PolarHBondContact O-N 3.12Å; G116-K118 PolarHBondContact O-N 3.39Å; G116-A119 WeakPolarHBondContact O-CB 3.15Å; G116-A119 PolarHBondContact O-N 3.27Å; G116-I120 WeakPolarHBondContact O-CG1 3.4Å; G116-I120 PolarHBondContact O-N 3.25Å
117I98.9Very high98.4Very high5 Ų543.7 Ų43.73%0.02623%0.23CC..Hα-helixtrans-61.8-43.6176-66.9169000110.7T77 V113 T114 A119 I120 V121 V135 V155 V159T77-I117 HydrophobicContact CG2-CG1 3.8Å; V113-I117 HydrophobicContact CG1-CD1 4.09Å; V113-I117 WeakPolarHBondContact O-CG1 3.38Å; V113-I117 PolarHBondContact O-N 3.25Å; T114-I117 PolarHBondContact O-N 3.35Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 2.8Å; I117-I120 WeakPolarHBondContact O-CB 3.32Å; I117-I120 PolarHBondContact O-N 3.22Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 2.9Å; I117-V135 HydrophobicContact CG2-CG1 3.73Å; I117-V135 HydrophobicContact CG2-CG2 4.47Å; I117-V155 HydrophobicContact CD1-CG1 3.85Å; I117-V159 HydrophobicContact CB-CG2 4.29Å; I117-V159 HydrophobicContact CD1-CG2 3.86Å; I117-V159 HydrophobicContact CG2-CG1 4.15Å; I117-V159 HydrophobicContact CG2-CG2 4.1Å
118K98.6Very high98.5Very high94 Ų9439.2 Ų39.241%0.40920%0.197SC..Hα-helixtrans-60.5-41.4175.3-73.4170.264.1-178.50111.9T114 G115 G116 I120 V121 Q122 A162T114-K118 HydrophobicContact CG2-CD 4.02Å; T114-K118 HydrophobicContact CG2-CG 4.46Å; T114-K118 WeakPolarHBondContact O-CB 3.17Å; T114-K118 VanDerWaalsContact O-CG 3.27Å; T114-K118 WeakPolarHBondContact O-CG 3.43Å; T114-K118 PolarHBondContact O-N 3.13Å; G115-K118 PolarHBondContact O-N 3.48Å; G116-K118 PolarHBondContact O-N 3.39Å; K118-I120 VanDerWaalsContact C-N 3.33Å; K118-I120 PolarHBondContact O-N 3.15Å; K118-V121 PolarHBondContact O-N 2.83Å; K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3.19Å; K118-A162 HydrophobicContact CD-CB 3.97Å; K118-A162 HydrophobicContact CG-CB 4.26Å
119A98.6Very high98.4Very high16 Ų1641.4 Ų41.413%0.13221%0.214CC..Hα-helixtrans-62.3-40.6176.100000111.6L81 G115 G116 I117 Q122 L123L81-A119 HydrophobicContact CD1-CB 4.27Å; L81-A119 HydrophobicContact CD2-CB 4.13Å; G115-A119 WeakPolarHBondContact O-CB 3.34Å; G115-A119 PolarHBondContact O-N 3.3Å; G116-A119 WeakPolarHBondContact O-CB 3.15Å; G116-A119 PolarHBondContact O-N 3.27Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 2.8Å; A119-Q122 PolarHBondContact O-N 2.91Å; A119-L123 WeakPolarHBondContact O-CB 3.29Å; A119-L123 PolarHBondContact O-N 2.71Å
120I98.9Very high98.3Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-59.9-50.9173.3-68164.2000110.7T77 V80 L81 L84 V99 V101 G116 I117 K118 Q122 L123 V124T77-I120 HydrophobicContact CG2-CD1 4.33Å; V80-I120 HydrophobicContact CB-CD1 4.03Å; V80-I120 HydrophobicContact CG1-CD1 3.78Å; V80-I120 HydrophobicContact CG1-CG1 4.23Å; V80-I120 HydrophobicContact CG1-CG2 4.45Å; L81-I120 HydrophobicContact CB-CG1 4.22Å; L81-I120 HydrophobicContact CD1-CG1 4.07Å; L84-I120 HydrophobicContact CD1-CG2 3.75Å; V99-I120 HydrophobicContact CG1-CG2 3.87Å; V99-I120 HydrophobicContact CG2-CG2 3.86Å; V101-I120 HydrophobicContact CG1-CD1 3.64Å; G116-I120 WeakPolarHBondContact O-CG1 3.4Å; G116-I120 PolarHBondContact O-N 3.25Å; I117-I120 WeakPolarHBondContact O-CB 3.32Å; I117-I120 PolarHBondContact O-N 3.22Å; K118-I120 VanDerWaalsContact C-N 3.33Å; K118-I120 PolarHBondContact O-N 3.15Å; I120-Q122 VanDerWaalsContact C-N 3.3Å; I120-Q122 PolarHBondContact O-N 3.22Å; I120-L123 PolarHBondContact O-N 3.41Å; I120-V124 HydrophobicContact CG2-CG2 4.37Å; I120-V124 WeakPolarHBondContact O-CG2 3.16Å; I120-V124 PolarHBondContact O-N 3.24Å
121V98.6Very high98.3Very high4 Ų440.9 Ų40.92%0.02421%0.206CC..Hα-helixtrans-58.5-43.2178.9174.50000111.1I117 K118 V124 N125 V133 V135 L163 A169I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 2.9Å; K118-V121 PolarHBondContact O-N 2.83Å; V121-V124 PolarHBondContact O-N 3.03Å; V121-N125 WeakPolarHBondContact O-CB 3.45Å; V121-N125 PolarHBondContact O-N 3.02Å; V121-N125 PolarHBondContact O-ND2 3.06Å; V121-N125 VanDerWaalsContact O-ND2 3.16Å; V121-V133 HydrophobicContact CG2-CG1 4.06Å; V121-V135 HydrophobicContact CG2-CG2 3.63Å; V121-L163 HydrophobicContact CG1-CD2 4.31Å; V121-L163 HydrophobicContact CG2-CD2 4.42Å; V121-A169 HydrophobicContact CG1-CB 4.13Å
122Q98Very high98.3Very high127 Ų12737.6 Ų37.659%0.59319%0.189SC*.Hα-helixtrans-62.9-43.7177.4-74.9171.9-12.400112.3K118 A119 I120 N125 K126K118-Q122 WeakPolarHBondContact O-CB 3.42Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3.19Å; A119-Q122 PolarHBondContact O-N 2.91Å; I120-Q122 VanDerWaalsContact C-N 3.3Å; I120-Q122 PolarHBondContact O-N 3.22Å; Q122-N125 PolarHBondContact O-N 3.3Å; Q122-K126 WeakPolarHBondContact O-CB 3.28Å; Q122-K126 PolarHBondContact O-N 2.99Å
123L98.5Very high98.3Very high16 Ų1634.9 Ų34.98%0.08418%0.177CC..Hα-helixtrans-64.4-45177.4-179.666000111.3L81 L84 E85 A119 I120 N125 K126 L127L81-L123 HydrophobicContact CD1-CB 4.01Å; L81-L123 HydrophobicContact CD1-CD2 3.62Å; L81-L123 HydrophobicContact CD1-CG 4.46Å; L81-L123 HydrophobicContact CG-CD2 4.41Å; L84-L123 HydrophobicContact CB-CD2 3.57Å; L84-L123 HydrophobicContact CD1-CD2 4.39Å; E85-L123 HydrophobicContact CB-CD2 4.47Å; E85-L123 HydrophobicContact CG-CD1 3.98Å; E85-L123 HydrophobicContact CG-CD2 3.37Å; E85-L123 HydrophobicContact CG-CG 4.32Å; A119-L123 WeakPolarHBondContact O-CB 3.29Å; A119-L123 PolarHBondContact O-N 2.71Å; I120-L123 PolarHBondContact O-N 3.41Å; L123-N125 VanDerWaalsContact C-N 3.34Å; L123-N125 PolarHBondContact O-N 3.45Å; L123-K126 WeakPolarHBondContact O-CB 3.45Å; L123-K126 PolarHBondContact O-N 2.75Å; L123-K126 VanDerWaalsContact O-N 3.08Å; L123-L127 HydrophobicContact CD1-CD1 3.8Å; L123-L127 HydrophobicContact CD1-CG 3.93Å; L123-L127 HydrophobicContact CD2-CD1 4.39Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CG 3.3Å; L123-L127 PolarHBondContact O-N 3.01Å
124V98.6Very high98.3Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-59.3-46.1175.5175.70000110.5L84 L89 V97 I120 V121 K126 L127 Q128 V133L84-V124 HydrophobicContact CD1-CG2 4.1Å; L89-V124 HydrophobicContact CD1-CG2 4.18Å; V97-V124 HydrophobicContact CB-CG1 3.92Å; V97-V124 HydrophobicContact CG1-CG1 4.26Å; V97-V124 HydrophobicContact CG1-CG2 4.21Å; V97-V124 HydrophobicContact CG2-CG1 3.82Å; I120-V124 HydrophobicContact CG2-CG2 4.37Å; I120-V124 WeakPolarHBondContact O-CG2 3.16Å; I120-V124 PolarHBondContact O-N 3.24Å; V121-V124 PolarHBondContact O-N 3.03Å; V124-K126 PolarHBondContact O-N 2.77Å; V124-L127 PolarHBondContact O-N 2.86Å; V124-Q128 CarbonylContact O-C 3.58Å; V124-Q128 WeakPolarHBondContact O-CA 3.41Å; V124-Q128 PolarHBondContact O-N 2.79Å; V124-V133 HydrophobicContact CB-CG2 4.07Å; V124-V133 HydrophobicContact CG1-CG2 3.57Å
125N97.3Very high98.3Very high29 Ų2934.6 Ų34.616%0.15518%0.175CC..Hα-helixtrans-62.3-28.3176.5-71.7-31.6000113.3V121 Q122 L123 P129 H166V121-N125 WeakPolarHBondContact O-CB 3.45Å; V121-N125 PolarHBondContact O-N 3.02Å; V121-N125 PolarHBondContact O-ND2 3.06Å; V121-N125 VanDerWaalsContact O-ND2 3.16Å; Q122-N125 PolarHBondContact O-N 3.3Å; L123-N125 VanDerWaalsContact C-N 3.34Å; L123-N125 PolarHBondContact O-N 3.45Å; N125-P129 VanDerWaalsContact O-CA 3.23Å; N125-P129 WeakPolarHBondContact O-CA 3.49Å; N125-P129 WeakPolarHBondContact O-CB 3.23Å; N125-H166 PolarHBondContact ND2-CE1 3.37Å; N125-H166 PolarHBondContact ND2-NE2 2.9Å
126K97.7Very high98.3Very high166 Ų16633.8 Ų33.872%0.72217%0.165SC*.Hα-helixtrans-76.5-47.9176.3179.5-173173.8-170.20111.7Q122 L123 V124Q122-K126 WeakPolarHBondContact O-CB 3.28Å; Q122-K126 PolarHBondContact O-N 2.99Å; L123-K126 WeakPolarHBondContact O-CB 3.45Å; L123-K126 PolarHBondContact O-N 2.75Å; L123-K126 VanDerWaalsContact O-N 3.08Å; V124-K126 PolarHBondContact O-N 2.77Å
127L97.8Very high98.3Very high72 Ų7233.9 Ų33.938%0.37717%0.166SC..Hα-helixtrans-79.3-34.2-175.3-64-179.4000112.5L89 L123 V124L89-L127 HydrophobicContact CB-CD1 4.39Å; L89-L127 HydrophobicContact CD1-CB 4.4Å; L89-L127 HydrophobicContact CD1-CD1 4.32Å; L123-L127 HydrophobicContact CD1-CD1 3.8Å; L123-L127 HydrophobicContact CD1-CG 3.93Å; L123-L127 HydrophobicContact CD2-CD1 4.39Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CG 3.3Å; L123-L127 PolarHBondContact O-N 3.01Å; V124-L127 PolarHBondContact O-N 2.86Å
128Q98Very high98.3Very high13 Ų1334 Ų346%0.06117%0.167CC..  trans-131.863.6-174.3-62.6-66-1900109.7L89 I92 V124 Q130 A131L89-Q128 HydrophobicContact CB-CG 4.28Å; L89-Q128 HydrophobicContact CD1-CG 3.98Å; L89-Q128 PolarHBondContact O-NE2 2.85Å; I92-Q128 PolarHBondContact O-NE2 2.93Å; I92-Q128 PolarHBondContact O-OE1 3.04Å; V124-Q128 CarbonylContact O-C 3.58Å; V124-Q128 WeakPolarHBondContact O-CA 3.41Å; V124-Q128 PolarHBondContact O-N 2.79Å; Q128-Q130 PolarHBondContact O-N 2.85Å; Q128-Q130 VanDerWaalsContact O-N 3.07Å; Q128-A131 HydrophobicContact CB-CB 4Å; Q128-A131 WeakPolarHBondContact O-CB 3.33Å; Q128-A131 PolarHBondContact O-N 3.11Å
129P96.9Very high98.3Very high71 Ų7129.9 Ų29.946%0.46115%0.15SC..THydrogen-bonded Turntrans-62.8-19.7-171.225.5-35.7000114.6N125N125-P129 VanDerWaalsContact O-CA 3.23Å; N125-P129 WeakPolarHBondContact O-CA 3.49Å; N125-P129 WeakPolarHBondContact O-CB 3.23Å
130Q96.8Very high98.3Very high59 Ų5929.9 Ų29.928%0.27615%0.148SC..THydrogen-bonded Turntrans-77.2-24.8173.280.1-67.3-23.900113.1R93 P94 Q128R93-Q130 HydrophobicContact CG-CG 4.05Å; R93-Q130 VanDerWaalsContact CG-NE2 3.34Å; P94-Q130 PolarHBondContact O-NE2 3.23Å; Q128-Q130 PolarHBondContact O-N 2.85Å; Q128-Q130 VanDerWaalsContact O-N 3.07Å
131A98.2Very high98.3Very high0 Ų031.5 Ų31.50%015%0.154CC..  trans-73.2142.5-173.400000111P94 K95 V97 Q128P94-A131 WeakPolarHBondContact O-CB 3.14Å; K95-A131 CarbonylContact O-C 3.56Å; K95-A131 WeakPolarHBondContact O-CA 3.44Å; V97-A131 HydrophobicContact CG2-CB 4.2Å; Q128-A131 HydrophobicContact CB-CB 4Å; Q128-A131 WeakPolarHBondContact O-CB 3.33Å; Q128-A131 PolarHBondContact O-N 3.11Å
132R98.5Very high98.3Very high30 Ų3032.5 Ų32.511%0.11317%0.165CC..EExtended strand (participates in β ladder)trans-80.4146.7159.2-62.9-166.9-177109.63.9109.7K95 I96 V97 R168 L215 D219K95-R132 PolarHBondContact O-N 3.47Å; I96-R132 CarbonylContact C-O 3.58Å; I96-R132 VanDerWaalsContact CA-O 3.31Å; I96-R132 WeakPolarHBondContact CA-O 3.46Å; V97-R132 PolarHBondContact N-O 3.12Å; R132-R168 CarbonylContact C-O 3.55Å; R132-R168 VanDerWaalsContact CA-O 3.29Å; R132-R168 WeakPolarHBondContact CA-O 3.47Å; R132-R168 HydrophobicContact CG-CB 4.35Å; R132-L215 VanDerWaalsContact NH1-C 3.27Å; R132-L215 PolarHBondContact NH1-O 3.3Å; R132-D219 IonicContact CZ-OD1 3.67Å; R132-D219 IonicContact NE-OD1 3.95Å; R132-D219 IonicContact NH1-OD1 3.93Å; R132-D219 PolarHBondContact NH1-OD1 2.77Å; R132-D219 IonicContact NH1-OD2 3.84Å; R132-D219 IonicContact NH2-OD1 3.61Å; R132-D219 PolarHBondContact NH2-OD1 3.47Å
133V98.8Very high98.4Very high0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-110.6124.6176.9-170.20000109.1V97 V99 V121 V124 V135 R168 A169 H170V97-V133 CarbonylContact O-C 3.54Å; V97-V133 WeakPolarHBondContact O-CA 3.42Å; V99-V133 HydrophobicContact CG2-CG1 3.96Å; V121-V133 HydrophobicContact CG2-CG1 4.06Å; V124-V133 HydrophobicContact CB-CG2 4.07Å; V124-V133 HydrophobicContact CG1-CG2 3.57Å; V133-V135 HydrophobicContact CG1-CG2 4.16Å; V133-R168 PolarHBondContact N-O 3.2Å; V133-A169 HydrophobicContact CB-CB 4.43Å; V133-A169 CarbonylContact O-C 3.46Å; V133-A169 VanDerWaalsContact O-CA 3.28Å; V133-A169 WeakPolarHBondContact O-CA 3.4Å; V133-H170 PolarHBondContact O-N 3.4Å
134V98.9Very high98.4Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-107.2119.5172.1179.30000107.9I96 V97 V98 V99 L136 H170 L172 L208 L211 L212 L215I96-V134 HydrophobicContact CG2-CG2 3.87Å; V97-V134 PolarHBondContact O-N 3.15Å; V98-V134 CarbonylContact C-O 3.47Å; V98-V134 WeakPolarHBondContact CA-O 3.46Å; V98-V134 HydrophobicContact CG2-CB 4.4Å; V99-V134 PolarHBondContact N-O 2.99Å; V134-L136 HydrophobicContact CG1-CD1 4.19Å; V134-H170 CarbonylContact C-O 3.59Å; V134-H170 WeakPolarHBondContact CA-O 3.44Å; V134-H170 HydrophobicContact CG2-CB 4.39Å; V134-L172 HydrophobicContact CG1-CB 4.23Å; V134-L208 HydrophobicContact CG1-CD1 4.09Å; V134-L211 HydrophobicContact CG1-CD2 3.69Å; V134-L211 HydrophobicContact CG2-CD2 4.14Å; V134-L212 HydrophobicContact CG2-CD2 4.31Å; V134-L215 HydrophobicContact CG2-CD1 3.69Å
135V98.9Very high98.4Very high3 Ų339.2 Ų39.22%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-106117.6176.2-176.40000108.7V99 I117 V121 V133 V159 L163 H170 F171 L172V99-V135 HydrophobicContact CB-CG2 4.37Å; V99-V135 WeakPolarHBondContact O-CA 3.28Å; I117-V135 HydrophobicContact CG2-CG1 3.73Å; I117-V135 HydrophobicContact CG2-CG2 4.47Å; V121-V135 HydrophobicContact CG2-CG2 3.63Å; V133-V135 HydrophobicContact CG1-CG2 4.16Å; V135-V159 HydrophobicContact CG1-CG1 3.97Å; V135-L163 HydrophobicContact CB-CD1 3.9Å; V135-L163 HydrophobicContact CG2-CD1 3.74Å; V135-H170 PolarHBondContact N-O 3.2Å; V135-F171 WeakPolarHBondContact O-CA 3.43Å; V135-L172 PolarHBondContact O-N 2.85Å
136L98.9Very high98.5Very high4 Ų440.1 Ų40.12%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-79.4141.6174.4-81.576.3000110.6V98 V99 W100 V134 L172 A174 L208V98-L136 HydrophobicContact CG1-CD1 3.39Å; V99-L136 PolarHBondContact O-N 3.23Å; W100-L136 HydrophobicContact CB-CB 4Å; W100-L136 HydrophobicContact CD2-CB 3.91Å; W100-L136 HydrophobicContact CD2-CD2 3.55Å; W100-L136 HydrophobicContact CD2-CG 4.31Å; W100-L136 HydrophobicContact CE3-CD2 3.65Å; W100-L136 HydrophobicContact CG-CB 3.53Å; W100-L136 HydrophobicContact CG-CD2 4.02Å; W100-L136 HydrophobicContact CG-CG 4.28Å; W100-L136 HydrophobicContact CH2-CD2 4.16Å; W100-L136 HydrophobicContact CZ2-CD2 4.02Å; W100-L136 HydrophobicContact CZ3-CD2 3.96Å; V134-L136 HydrophobicContact CG1-CD1 4.19Å; L136-L172 CarbonylContact C-O 3.43Å; L136-L172 WeakPolarHBondContact CA-O 3.4Å; L136-L172 HydrophobicContact CG-CD2 4.44Å; L136-A174 HydrophobicContact CD2-CB 4.41Å; L136-L208 HydrophobicContact CD1-CD1 3.95Å; L136-L208 HydrophobicContact CD1-CD2 4.25Å; L136-L208 HydrophobicContact CD2-CD2 4.19Å
137G98.8Very high98.5Very high2 Ų237.4 Ų37.42%0.02121%0.209CC..PPolyproline II helixtrans-61.3145.1168.600000112W100 L139 N156 L172W100-G137 PolarHBondContact NE1-O 3.43Å; G137-L139 PolarHBondContact O-N 2.9Å; G137-N156 WeakPolarHBondContact CA-OD1 3.41Å; G137-L172 PolarHBondContact N-O 2.68Å
138L98.9Very high98.6Very high7 Ų736.6 Ų36.64%0.03721%0.205CC..PPolyproline II helixtrans-68.6125.4170.3-56.3-171.5000109.3N152 V155 N156L138-N152 HydrophobicContact CB-CB 3.82Å; L138-N152 HydrophobicContact CD1-CB 4.43Å; L138-V155 HydrophobicContact CD1-CB 3.96Å; L138-V155 HydrophobicContact CD1-CG1 3.71Å; L138-V155 HydrophobicContact CD1-CG2 4.23Å; L138-V155 HydrophobicContact CG-CG1 4.19Å; L138-N156 PolarHBondContact N-ND2 3.3Å; L138-N156 PolarHBondContact N-OD1 3.03Å; L138-N156 PolarHBondContact O-ND2 3.21Å
139L98.9Very high98.6Very high9 Ų937.4 Ų37.45%0.04721%0.207CC..PPolyproline II helixtrans-71.2157.6178.5-66.7178.8000111.9L48 W100 G137 N152 D175 F178 M190 L196L48-L139 HydrophobicContact CD1-CD1 4.48Å; W100-L139 HydrophobicContact CH2-CD1 4Å; W100-L139 HydrophobicContact CZ2-CD1 3.61Å; W100-L139 HydrophobicContact CZ2-CG 3.8Å; G137-L139 PolarHBondContact O-N 2.9Å; L139-N152 PolarHBondContact O-ND2 2.89Å; L139-D175 HydrophobicContact CD2-CB 3.86Å; L139-F178 HydrophobicContact CD1-CE2 3.99Å; L139-F178 HydrophobicContact CD2-CD2 4.14Å; L139-F178 HydrophobicContact CD2-CE2 3.93Å; L139-M190 HydrophobicContact CB-CE 4.07Å; L139-M190 HydrophobicContact CD1-CE 4.1Å; L139-L196 HydrophobicContact CD1-CD1 3.87Å; L139-L196 HydrophobicContact CD1-CD2 4.02Å; L139-L196 HydrophobicContact CD1-CG 4.14Å
140P98.9Very high98.7Very high15 Ų1538.4 Ų38.410%0.09721%0.205CC..PPolyproline II helixtrans-64.4154.8167.431.7-37.8000110.5R149 D175 F178 V179 I185 M190P140-R149 HydrophobicContact CB-CG 4.24Å; P140-D175 WeakPolarHBondContact CD-OD2 3.45Å; P140-D175 WeakPolarHBondContact CG-OD2 3.39Å; P140-F178 HydrophobicContact CG-CB 4.07Å; P140-V179 HydrophobicContact CB-CG2 3.61Å; P140-V179 HydrophobicContact CG-CG2 3.78Å; P140-I185 HydrophobicContact CB-CD1 3.95Å; P140-I185 HydrophobicContact CG-CD1 4.14Å; P140-M190 WeakPolarHBondContact O-CE 3.43Å
141R98.9Very high98.8Very high35 Ų3537 Ų3713%0.13220%0.198CC..  trans-145.1167179.463.9-174.6-71.9164.80.3112.2T103 N146 L148 R149 Y193 L194T103-R141 PolarHBondContact O-NH1 3.45Å; T103-R141 WeakPolarHBondContact OG1-CD 3.44Å; T103-R141 PolarHBondContact OG1-NH1 3.2Å; R141-N146 PolarHBondContact O-ND2 3.08Å; R141-L148 HydrophobicContact CG-CB 4.06Å; R141-R149 VanDerWaalsContact O-CG 3.23Å; R141-R149 WeakPolarHBondContact O-CG 3.38Å; R141-R149 PolarHBondContact O-NE 3.31Å; R141-Y193 CarbonylContact C-O 3.59Å; R141-Y193 VanDerWaalsContact CA-O 3.22Å; R141-Y193 WeakPolarHBondContact CA-O 3.31Å; R141-Y193 WeakPolarHBondContact CB-O 3.33Å; R141-L194 HydrophobicContact CB-CD1 4.25Å; R141-L194 VanDerWaalsContact CZ-CD1 3.48Å
142G98.8Very high98.8Very high25 Ų2537.1 Ų37.126%0.25820%0.199SC..SBendtrans74.1147.8-174.300000112H144 R149 I185 Y193G142-H144 PolarHBondContact O-N 3.34Å; G142-R149 PolarHBondContact O-NH2 3.35Å; G142-I185 WeakPolarHBondContact O-CD1 3.34Å; G142-Y193 PolarHBondContact N-O 3.32Å
143Q98.8Very high98.8Very high84 Ų8441.4 Ų41.439%0.39322%0.215SC..SBendtrans-62.3-40.6-174.5-173.9176.92.900112.9R149 T184 I185 Y193Q143-R149 PolarHBondContact O-NH2 3.35Å; Q143-T184 CarbonylContact O-C 3.45Å; Q143-T184 WeakPolarHBondContact O-CA 3.46Å; Q143-I185 PolarHBondContact O-N 2.89Å; Q143-Y193 HydrophobicContact CB-CD1 3.73Å; Q143-Y193 HydrophobicContact CB-CD2 3.96Å; Q143-Y193 HydrophobicContact CB-CE1 3.73Å; Q143-Y193 HydrophobicContact CB-CE2 3.94Å; Q143-Y193 HydrophobicContact CB-CG 3.84Å; Q143-Y193 HydrophobicContact CG-CD1 4.05Å; Q143-Y193 HydrophobicContact CG-CE1 3.59Å; Q143-Y193 HydrophobicContact CG-CE2 4.37Å; Q143-Y193 PolarHBondContact OE1-OH 3.38Å
144H98.9Very high98.8Very high102 Ų10244.6 Ų44.647%0.47223%0.23SC..SBendtrans-117169.3-176.2-64.9-69.3000111.7G142 N146 R149G142-H144 PolarHBondContact O-N 3.34Å; H144-N146 PolarHBondContact O-N 3.25Å; H144-N146 PolarHBondContact O-ND2 2.99Å; H144-R149 PolarHBondContact O-NE 2.82Å; H144-R149 PolarHBondContact O-NH2 3.04Å
145P98.8Very high98.8Very high98 Ų9844.6 Ų44.664%0.63623%0.23SC*.  trans-50.6131.6173.6-28.337.2000112.1G183P145-G183 WeakPolarHBondContact CD-O 3.46Å
146N98.8Very high98.8Very high47 Ų4745.2 Ų45.225%0.25123%0.234SC..  trans-155.8162.4-177.167.181.2000111.1R141 H144 L148 R149R141-N146 PolarHBondContact O-ND2 3.08Å; H144-N146 PolarHBondContact O-N 3.25Å; H144-N146 PolarHBondContact O-ND2 2.99Å; N146-L148 PolarHBondContact O-N 3.37Å; N146-L148 VanDerWaalsContact O-N 3.14Å; N146-L148 VanDerWaalsContact OD1-CB 3.31Å; N146-L148 WeakPolarHBondContact OD1-CB 3.44Å; N146-L148 PolarHBondContact OD1-N 3.4Å; N146-R149 PolarHBondContact O-N 3.35Å; N146-R149 VanDerWaalsContact O-N 3.13Å; N146-R149 PolarHBondContact OD1-N 3.45Å
147P98.7Very high98.8Very high109 Ų10949 Ų4971%0.70825%0.251SS*.Hα-helixtrans-59.9-25.1-176.3-26.736000115.2E150 K151P147-E150 PolarHBondContact O-N 2.84Å; P147-K151 WeakPolarHBondContact O-CB 3.21Å; P147-K151 PolarHBondContact O-N 3.26Å
148L98.8Very high98.8Very high56 Ų5651.9 Ų51.929%0.29327%0.265SS..Hα-helixtrans-73.7-28.5179.7-60.7176.1000112.3R141 N146 E150 K151 N152R141-L148 HydrophobicContact CG-CB 4.06Å; N146-L148 PolarHBondContact O-N 3.37Å; N146-L148 VanDerWaalsContact O-N 3.14Å; N146-L148 VanDerWaalsContact OD1-CB 3.31Å; N146-L148 WeakPolarHBondContact OD1-CB 3.44Å; N146-L148 PolarHBondContact OD1-N 3.4Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-K151 HydrophobicContact CD2-CD 4.36Å; L148-N152 WeakPolarHBondContact O-CB 3.4Å; L148-N152 VanDerWaalsContact O-CG 3.27Å; L148-N152 PolarHBondContact O-N 3.27Å; L148-N152 PolarHBondContact O-OD1 3.13Å
149R98.8Very high98.8Very high29 Ų2951.6 Ų51.611%0.10926%0.264CS..Hα-helixtrans-63.9-44.4171.3-66.2-171.7-174.9178.83.9110.8P140 R141 G142 Q143 H144 N146 N152 R153 G183P140-R149 HydrophobicContact CB-CG 4.24Å; R141-R149 VanDerWaalsContact O-CG 3.23Å; R141-R149 WeakPolarHBondContact O-CG 3.38Å; R141-R149 PolarHBondContact O-NE 3.31Å; G142-R149 PolarHBondContact O-NH2 3.35Å; Q143-R149 PolarHBondContact O-NH2 3.35Å; H144-R149 PolarHBondContact O-NE 2.82Å; H144-R149 PolarHBondContact O-NH2 3.04Å; N146-R149 PolarHBondContact O-N 3.35Å; N146-R149 VanDerWaalsContact O-N 3.13Å; N146-R149 PolarHBondContact OD1-N 3.45Å; R149-N152 PolarHBondContact O-N 3.33Å; R149-R153 WeakPolarHBondContact O-CB 3.43Å; R149-R153 PolarHBondContact O-N 3.46Å; R149-G183 PolarHBondContact NH1-O 2.84Å; R149-G183 PolarHBondContact NH2-O 2.8Å
150E98.7Very high98.8Very high92 Ų9256 Ų5643%0.4328%0.28SS..Hα-helixtrans-64.7-45.7178.2179.957.6-168.400111.5P147 L148 N152 R153 Q154P147-E150 PolarHBondContact O-N 2.84Å; L148-E150 VanDerWaalsContact C-N 3.35Å; E150-N152 PolarHBondContact O-N 2.85Å; E150-R153 WeakPolarHBondContact O-CB 3.14Å; E150-R153 PolarHBondContact O-N 2.77Å; E150-R153 IonicContact OE1-CZ 2.81Å; E150-R153 IonicContact OE1-NE 3.25Å; E150-R153 IonicContact OE1-NH2 2.68Å; E150-R153 PolarHBondContact OE1-NH2 3.17Å; E150-R153 IonicContact OE2-CZ 2.85Å; E150-R153 VanDerWaalsContact OE2-CZ 3.3Å; E150-R153 IonicContact OE2-NE 3.97Å; E150-R153 PolarHBondContact OE2-NE 2.96Å; E150-R153 IonicContact OE2-NH2 3.78Å; E150-R153 PolarHBondContact OE2-NH2 3.26Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.42Å
151K98.9Very high98.8Very high30 Ų3058.7 Ų58.713%0.1330%0.304CS..Hα-helixtrans-57.1-48.9174176.2178.5166.6174.60112.1N105 H106 H108 A110 P147 L148 R153 Q154 V155N105-K151 PolarHBondContact O-NZ 3.44Å; H106-K151 PolarHBondContact O-NZ 3.45Å; H108-K151 WeakPolarHBondContact O-CE 3.18Å; H108-K151 PolarHBondContact O-NZ 2.85Å; A110-K151 HydrophobicContact CB-CG 4.46Å; P147-K151 WeakPolarHBondContact O-CB 3.21Å; P147-K151 PolarHBondContact O-N 3.26Å; L148-K151 HydrophobicContact CD2-CD 4.36Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 2.75Å; K151-Q154 PolarHBondContact O-N 3.21Å; K151-V155 WeakPolarHBondContact O-CG2 3.46Å; K151-V155 PolarHBondContact O-N 3.39Å
152N98.9Very high98.7Very high3 Ų359.1 Ų59.12%0.01632%0.315CS..Hα-helixtrans-63.1-41.3-179.9-77.76.2000111.4T103 L138 L139 L148 R149 E150 V155 N156T103-N152 PolarHBondContact OG1-ND2 2.77Å; L138-N152 HydrophobicContact CB-CB 3.82Å; L138-N152 HydrophobicContact CD1-CB 4.43Å; L139-N152 PolarHBondContact O-ND2 2.89Å; L148-N152 WeakPolarHBondContact O-CB 3.4Å; L148-N152 VanDerWaalsContact O-CG 3.27Å; L148-N152 PolarHBondContact O-N 3.27Å; L148-N152 PolarHBondContact O-OD1 3.13Å; R149-N152 PolarHBondContact O-N 3.33Å; E150-N152 PolarHBondContact O-N 2.85Å; N152-V155 PolarHBondContact O-N 2.9Å; N152-N156 PolarHBondContact O-N 2.88Å; N152-N156 PolarHBondContact O-OD1 2.8Å
153R98.8Very high98.6Very high120 Ų12058.6 Ų58.645%0.45331%0.306SS..Hα-helixtrans-58.4-48.1173.7-178.1-177.374.4100.6-10.8111.5R149 E150 K151 V155 N156 E157R149-R153 WeakPolarHBondContact O-CB 3.43Å; R149-R153 PolarHBondContact O-N 3.46Å; E150-R153 WeakPolarHBondContact O-CB 3.14Å; E150-R153 PolarHBondContact O-N 2.77Å; E150-R153 IonicContact OE1-CZ 2.81Å; E150-R153 IonicContact OE1-NE 3.25Å; E150-R153 IonicContact OE1-NH2 2.68Å; E150-R153 PolarHBondContact OE1-NH2 3.17Å; E150-R153 IonicContact OE2-CZ 2.85Å; E150-R153 VanDerWaalsContact OE2-CZ 3.3Å; E150-R153 IonicContact OE2-NE 3.97Å; E150-R153 PolarHBondContact OE2-NE 2.96Å; E150-R153 IonicContact OE2-NH2 3.78Å; E150-R153 PolarHBondContact OE2-NH2 3.26Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 2.75Å; R153-V155 PolarHBondContact O-N 3.1Å; R153-N156 WeakPolarHBondContact O-CB 3.4Å; R153-N156 PolarHBondContact O-N 3Å; R153-N156 VanDerWaalsContact O-N 3.14Å; R153-E157 IonicContact CZ-OE1 2.65Å; R153-E157 IonicContact NH1-OE1 4Å; R153-E157 PolarHBondContact NH1-OE1 2.79Å; R153-E157 IonicContact NH1-OE2 3.9Å; R153-E157 WeakPolarHBondContact O-CG 3.43Å; R153-E157 PolarHBondContact O-N 3.38Å
154Q98.9Very high98.2Very high66 Ų6658.8 Ų58.831%0.30832%0.322SS..Hα-helixtrans-62.4-41.3178.7-166-171.31.100111.9A110 E111 E150 K151 N156 E157 L158A110-Q154 HydrophobicContact CB-CB 3.89Å; A110-Q154 HydrophobicContact CB-CG 3.88Å; E111-Q154 PolarHBondContact OE1-NE2 3.43Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.42Å; K151-Q154 PolarHBondContact O-N 3.21Å; Q154-N156 VanDerWaalsContact C-N 3.33Å; Q154-N156 PolarHBondContact O-N 2.95Å; Q154-E157 PolarHBondContact O-N 3.14Å; Q154-L158 HydrophobicContact CG-CD1 4.24Å; Q154-L158 VanDerWaalsContact O-CG 3.29Å; Q154-L158 WeakPolarHBondContact O-CG 3.39Å; Q154-L158 PolarHBondContact O-N 3.21Å
155V98.9Very high97.6Very high0 Ų057.6 Ų57.60%034%0.337CS..Hα-helixtrans-57.6-47.2172.5172.40000110.6A110 V113 I117 L138 K151 N152 R153 E157 L158 V159A110-V155 HydrophobicContact CB-CG2 3.76Å; V113-V155 HydrophobicContact CB-CG2 3.96Å; V113-V155 HydrophobicContact CG1-CG1 4.05Å; V113-V155 HydrophobicContact CG1-CG2 4.04Å; I117-V155 HydrophobicContact CD1-CG1 3.85Å; L138-V155 HydrophobicContact CD1-CB 3.96Å; L138-V155 HydrophobicContact CD1-CG1 3.71Å; L138-V155 HydrophobicContact CD1-CG2 4.23Å; L138-V155 HydrophobicContact CG-CG1 4.19Å; K151-V155 WeakPolarHBondContact O-CG2 3.46Å; K151-V155 PolarHBondContact O-N 3.39Å; N152-V155 PolarHBondContact O-N 2.9Å; R153-V155 PolarHBondContact O-N 3.1Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.1Å; V155-L158 PolarHBondContact O-N 2.99Å; V155-V159 HydrophobicContact CG1-CG2 3.97Å; V155-V159 WeakPolarHBondContact O-CB 3.49Å; V155-V159 VanDerWaalsContact O-CG2 3.25Å; V155-V159 WeakPolarHBondContact O-CG2 3.38Å; V155-V159 PolarHBondContact O-N 3.44Å
156N98.9Very high97.1Very high17 Ų1756.2 Ų56.29%0.09132%0.322CS..Hα-helixtrans-61.2-42.4-179.6-67.7-12.4000112.1G137 L138 N152 R153 Q154 R160 F171G137-N156 WeakPolarHBondContact CA-OD1 3.41Å; L138-N156 PolarHBondContact N-ND2 3.3Å; L138-N156 PolarHBondContact N-OD1 3.03Å; L138-N156 PolarHBondContact O-ND2 3.21Å; N152-N156 PolarHBondContact O-N 2.88Å; N152-N156 PolarHBondContact O-OD1 2.8Å; R153-N156 WeakPolarHBondContact O-CB 3.4Å; R153-N156 PolarHBondContact O-N 3Å; R153-N156 VanDerWaalsContact O-N 3.14Å; Q154-N156 VanDerWaalsContact C-N 3.33Å; Q154-N156 PolarHBondContact O-N 2.95Å; N156-R160 WeakPolarHBondContact O-CB 3.41Å; N156-R160 PolarHBondContact O-N 3.16Å; N156-F171 HydrophobicContact CB-CE2 4.47Å; N156-F171 HydrophobicContact CB-CZ 3.85Å
157E98.8Very high96.6Very high82 Ų8259 Ų5938%0.38334%0.342SS..Hα-helixtrans-61.1-48.1176.4-71.5169.8-170.900111.6R153 Q154 V155 R160 A161R153-E157 IonicContact CZ-OE1 2.65Å; R153-E157 IonicContact NH1-OE1 4Å; R153-E157 PolarHBondContact NH1-OE1 2.79Å; R153-E157 IonicContact NH1-OE2 3.9Å; R153-E157 WeakPolarHBondContact O-CG 3.43Å; R153-E157 PolarHBondContact O-N 3.38Å; Q154-E157 PolarHBondContact O-N 3.14Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.1Å; E157-R160 PolarHBondContact O-N 2.91Å; E157-A161 WeakPolarHBondContact O-CB 3.34Å; E157-A161 PolarHBondContact O-N 3.38Å
158L98.8Very high96.2Very high63 Ų6359.1 Ų59.133%0.3333%0.329SS..Hα-helixtrans-67.5-41.7-179.4-66.9172.3000112.5A110 E111 T114 Q154 V155 A161 A162A110-L158 HydrophobicContact CB-CD1 4.45Å; E111-L158 HydrophobicContact CG-CD1 4.1Å; T114-L158 HydrophobicContact CG2-CB 3.74Å; T114-L158 WeakPolarHBondContact OG1-CB 3.37Å; Q154-L158 HydrophobicContact CG-CD1 4.24Å; Q154-L158 VanDerWaalsContact O-CG 3.29Å; Q154-L158 WeakPolarHBondContact O-CG 3.39Å; Q154-L158 PolarHBondContact O-N 3.21Å; V155-L158 PolarHBondContact O-N 2.99Å; L158-A161 PolarHBondContact O-N 3.02Å; L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.17Å
159V98.8Very high96.2Very high2 Ų256.7 Ų56.71%0.01232%0.317CS..Hα-helixtrans-65.7-46176.2173.10000110.3T114 I117 V135 V155 A161 A162 L163 F171T114-V159 HydrophobicContact CG2-CG2 3.91Å; I117-V159 HydrophobicContact CB-CG2 4.29Å; I117-V159 HydrophobicContact CD1-CG2 3.86Å; I117-V159 HydrophobicContact CG2-CG1 4.15Å; I117-V159 HydrophobicContact CG2-CG2 4.1Å; V135-V159 HydrophobicContact CG1-CG1 3.97Å; V155-V159 HydrophobicContact CG1-CG2 3.97Å; V155-V159 WeakPolarHBondContact O-CB 3.49Å; V155-V159 VanDerWaalsContact O-CG2 3.25Å; V155-V159 WeakPolarHBondContact O-CG2 3.38Å; V155-V159 PolarHBondContact O-N 3.44Å; V159-A161 VanDerWaalsContact C-N 3.32Å; V159-A161 PolarHBondContact O-N 3.04Å; V159-A162 PolarHBondContact O-N 3.06Å; V159-A162 VanDerWaalsContact O-N 3.14Å; V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CG 3.22Å; V159-L163 PolarHBondContact O-N 2.98Å; V159-F171 HydrophobicContact CB-CD2 4.34Å; V159-F171 HydrophobicContact CB-CE2 4.31Å; V159-F171 HydrophobicContact CG1-CD2 3.69Å; V159-F171 HydrophobicContact CG1-CE2 4.04Å
160R98.6Very high96.1Very high101 Ų10157.5 Ų57.538%0.38132%0.322SS..Hα-helixtrans-56.3-47.2176.7-174.1-173.5-63120.4-6.3111N156 E157 L163 A164 F171 D173N156-R160 WeakPolarHBondContact O-CB 3.41Å; N156-R160 PolarHBondContact O-N 3.16Å; E157-R160 PolarHBondContact O-N 2.91Å; R160-L163 PolarHBondContact O-N 2.67Å; R160-A164 PolarHBondContact O-N 2.92Å; R160-A164 VanDerWaalsContact O-N 3.1Å; R160-F171 HydrophobicContact CB-CD1 3.85Å; R160-F171 HydrophobicContact CB-CD2 4.5Å; R160-F171 HydrophobicContact CB-CE1 4.15Å; R160-F171 HydrophobicContact CB-CG 4.03Å; R160-F171 HydrophobicContact CG-CD1 3.86Å; R160-F171 HydrophobicContact CG-CE1 4.41Å; R160-F171 HydrophobicContact CG-CG 4.3Å; R160-D173 IonicContact NH2-OD2 2.94Å; R160-D173 PolarHBondContact NH2-OD2 3.17Å
161A98.2Very high96.2Very high72 Ų7255 Ų5560%0.59531%0.31SS*.Hα-helixtrans-62.5-42.2176.500000112.2E157 L158 V159 L163 A164E157-A161 WeakPolarHBondContact O-CB 3.34Å; E157-A161 PolarHBondContact O-N 3.38Å; L158-A161 PolarHBondContact O-N 3.02Å; V159-A161 VanDerWaalsContact C-N 3.32Å; V159-A161 PolarHBondContact O-N 3.04Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.5Å; A161-A164 PolarHBondContact O-N 2.89Å
162A96.9Very high96.1Very high44 Ų4454.7 Ų54.736%0.36431%0.309SS..Hα-helixtrans-66.1-29.3179.400000113.5K118 L158 V159K118-A162 HydrophobicContact CD-CB 3.97Å; K118-A162 HydrophobicContact CG-CB 4.26Å; L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.17Å; V159-A162 PolarHBondContact O-N 3.06Å; V159-A162 VanDerWaalsContact O-N 3.14Å
163L96.5Very high96.1Very high13 Ų1358.2 Ų58.27%0.06833%0.328CS..Hα-helixtrans-93.8-13.6-178.7-60.7-174.8000114V121 V135 V159 R160 A161 G165 H166 A169 F171V121-L163 HydrophobicContact CG1-CD2 4.31Å; V121-L163 HydrophobicContact CG2-CD2 4.42Å; V135-L163 HydrophobicContact CB-CD1 3.9Å; V135-L163 HydrophobicContact CG2-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CG 3.22Å; V159-L163 PolarHBondContact O-N 2.98Å; R160-L163 PolarHBondContact O-N 2.67Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.5Å; L163-G165 PolarHBondContact O-N 3.22Å; L163-H166 WeakPolarHBondContact O-CB 3.45Å; L163-H166 PolarHBondContact O-N 2.93Å; L163-A169 HydrophobicContact CD2-CB 3.91Å; L163-F171 HydrophobicContact CD1-CB 4.24Å
164A91.6Very high96.1Very high89 Ų8952.8 Ų52.874%0.73631%0.309SS*.THydrogen-bonded Turntrans-57-26.3-174.700000114.9R160 A161R160-A164 PolarHBondContact O-N 2.92Å; R160-A164 VanDerWaalsContact O-N 3.1Å; A161-A164 PolarHBondContact O-N 2.89Å
165G85.4Confident96.1Very high76 Ų7652.1 Ų52.178%0.78431%0.308SS*.THydrogen-bonded Turntrans-99.94.1177.100000114.9L163 P167L163-G165 PolarHBondContact O-N 3.22Å; G165-P167 WeakPolarHBondContact O-CD 3.36Å
166H89.6Confident96.1Very high70 Ų7055.9 Ų55.932%0.32433%0.332SS..  trans-99.5108.3-170.7-152.8-68.3000110.5N125 L163 R168 A169N125-H166 PolarHBondContact ND2-CE1 3.37Å; N125-H166 PolarHBondContact ND2-NE2 2.9Å; L163-H166 WeakPolarHBondContact O-CB 3.45Å; L163-H166 PolarHBondContact O-N 2.93Å; H166-R168 PolarHBondContact O-N 3.39Å; H166-A169 HydrophobicContact CB-CB 3.89Å; H166-A169 PolarHBondContact O-N 3.25Å; H166-A169 VanDerWaalsContact O-N 3.1Å
167P86.6Confident96.1Very high104 Ų10457.2 Ų57.268%0.67535%0.35SS*.THydrogen-bonded Turntrans-65.9-17.9-165.525.2-35.7000114.8G165G165-P167 WeakPolarHBondContact O-CD 3.36Å
168R91.8Very high96.1Very high112 Ų11253.5 Ų53.542%0.42333%0.332SS..THydrogen-bonded Turntrans-119.98.3179.8-64.7-169.1-68.1-84.82.2113.6R132 V133 H166R132-R168 CarbonylContact C-O 3.55Å; R132-R168 VanDerWaalsContact CA-O 3.29Å; R132-R168 WeakPolarHBondContact CA-O 3.47Å; R132-R168 HydrophobicContact CG-CB 4.35Å; V133-R168 PolarHBondContact N-O 3.2Å; H166-R168 PolarHBondContact O-N 3.39Å
169A97.3Very high96.1Very high5 Ų553.1 Ų53.14%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-117.2130.4174.600000110.1V121 V133 L163 H166V121-A169 HydrophobicContact CG1-CB 4.13Å; V133-A169 HydrophobicContact CB-CB 4.43Å; V133-A169 CarbonylContact O-C 3.46Å; V133-A169 VanDerWaalsContact O-CA 3.28Å; V133-A169 WeakPolarHBondContact O-CA 3.4Å; L163-A169 HydrophobicContact CD2-CB 3.91Å; H166-A169 HydrophobicContact CB-CB 3.89Å; H166-A169 PolarHBondContact O-N 3.25Å; H166-A169 VanDerWaalsContact O-N 3.1Å
170H98.4Very high96Very high46 Ų4656.7 Ų56.721%0.21335%0.349CS..EExtended strand (participates in β ladder)trans-122.7122.6-172.4-54.9-79.7000109.1V133 V134 V135 L211V133-H170 PolarHBondContact O-N 3.4Å; V134-H170 CarbonylContact C-O 3.59Å; V134-H170 WeakPolarHBondContact CA-O 3.44Å; V134-H170 HydrophobicContact CG2-CB 4.39Å; V135-H170 PolarHBondContact N-O 3.2Å; H170-L211 HydrophobicContact CB-CD2 4.5Å
171F98.8Very high96Very high40 Ų4058.4 Ų58.418%0.17538%0.377CS..EExtended strand (participates in β ladder)trans-84129.6167.1-177.3-98.2000109.4V135 N156 V159 R160 L163 D173V135-F171 WeakPolarHBondContact O-CA 3.43Å; N156-F171 HydrophobicContact CB-CE2 4.47Å; N156-F171 HydrophobicContact CB-CZ 3.85Å; V159-F171 HydrophobicContact CB-CD2 4.34Å; V159-F171 HydrophobicContact CB-CE2 4.31Å; V159-F171 HydrophobicContact CG1-CD2 3.69Å; V159-F171 HydrophobicContact CG1-CE2 4.04Å; R160-F171 HydrophobicContact CB-CD1 3.85Å; R160-F171 HydrophobicContact CB-CD2 4.5Å; R160-F171 HydrophobicContact CB-CE1 4.15Å; R160-F171 HydrophobicContact CB-CG 4.03Å; R160-F171 HydrophobicContact CG-CD1 3.86Å; R160-F171 HydrophobicContact CG-CE1 4.41Å; R160-F171 HydrophobicContact CG-CG 4.3Å; L163-F171 HydrophobicContact CD1-CB 4.24Å; F171-D173 HydrophobicContact CE1-CB 4.06Å
172L98.8Very high96Very high24 Ų2460.2 Ų60.213%0.12638%0.376CS..EExtended strand (participates in β ladder)trans-117.8115.6173.3176.865.8000109.8V134 V135 L136 G137 A174 L208 L211V134-L172 HydrophobicContact CG1-CB 4.23Å; V135-L172 PolarHBondContact O-N 2.85Å; L136-L172 CarbonylContact C-O 3.43Å; L136-L172 WeakPolarHBondContact CA-O 3.4Å; L136-L172 HydrophobicContact CG-CD2 4.44Å; G137-L172 PolarHBondContact N-O 2.68Å; L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.29Å; L172-L208 HydrophobicContact CD2-CB 3.96Å; L172-L208 HydrophobicContact CD2-CD1 3.77Å; L172-L208 HydrophobicContact CD2-CG 4.48Å; L172-L211 HydrophobicContact CB-CD2 3.99Å; L172-L211 HydrophobicContact CD1-CD2 4.3Å; L172-L211 HydrophobicContact CD2-CD2 4.15Å; L172-L211 HydrophobicContact CG-CD2 4.37Å
173D98.6Very high96.1Very high77 Ų7758.8 Ų58.841%0.41237%0.366SS..  trans-82.4111.9162.9-155.7-28.1000108.5R160 F171 D175R160-D173 IonicContact NH2-OD2 2.94Å; R160-D173 PolarHBondContact NH2-OD2 3.17Å; F171-D173 HydrophobicContact CE1-CB 4.06Å; D173-D175 PolarHBondContact OD1-N 2.87Å
174A98.4Very high96.2Very high6 Ų659.6 Ų59.65%0.0537%0.371CS..  trans-107.46.4-175.900000112.7L136 L172 P176 V204L136-A174 HydrophobicContact CD2-CB 4.41Å; L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.29Å; A174-P176 WeakPolarHBondContact O-CD 3.47Å; A174-V204 HydrophobicContact CB-CG1 3.99Å; A174-V204 WeakPolarHBondContact O-CG2 3.48Å
175D98.6Very high96.6Very high52 Ų5255.5 Ų55.528%0.27834%0.337SS..  trans-73.4116.6175.8-173.5-5.8000110.1L139 P140 D173 G177 F178L139-D175 HydrophobicContact CD2-CB 3.86Å; P140-D175 WeakPolarHBondContact CD-OD2 3.45Å; P140-D175 WeakPolarHBondContact CG-OD2 3.39Å; D173-D175 PolarHBondContact OD1-N 2.87Å; D175-G177 PolarHBondContact O-N 2.89Å; D175-G177 WeakPolarHBondContact OD1-CA 3.45Å; D175-G177 PolarHBondContact OD1-N 3.49Å; D175-F178 WeakPolarHBondContact OD1-CD2 3.26Å; D175-F178 PolarHBondContact OD1-N 3.25Å
176P98.4Very high97.2Very high78 Ų7853.2 Ų53.251%0.50631%0.309SS..  trans-78.10.317636.2-38.1000113.5A174 F178 P203A174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-F178 HydrophobicContact CG-CD1 4.1Å; P176-F178 HydrophobicContact CG-CD2 4.38Å; P176-F178 HydrophobicContact CG-CE1 3.75Å; P176-F178 HydrophobicContact CG-CE2 4.07Å; P176-F178 HydrophobicContact CG-CG 4.4Å; P176-F178 HydrophobicContact CG-CZ 3.73Å; P176-P203 HydrophobicContact CB-CB 3.91Å; P176-P203 HydrophobicContact CB-CG 4.14Å; P176-P203 HydrophobicContact CG-CB 4.04Å; P176-P203 HydrophobicContact CG-CG 3.73Å
177G98.4Very high97.6Very high46 Ų4654.6 Ų54.647%0.47432%0.316SS..  trans104.550.1-171.100000112.4D175 V179D175-G177 PolarHBondContact O-N 2.89Å; D175-G177 WeakPolarHBondContact OD1-CA 3.45Å; D175-G177 PolarHBondContact OD1-N 3.49Å; G177-V179 PolarHBondContact O-N 3.48Å
178F98.8Very high98.2Very high3 Ų355.1 Ų55.11%0.01331%0.309CS..  trans-63.3-26.4178.9-70.8-54.7000113.8L139 P140 D175 P176 H180 D189 M190 L196 G200 V204L139-F178 HydrophobicContact CD1-CE2 3.99Å; L139-F178 HydrophobicContact CD2-CD2 4.14Å; L139-F178 HydrophobicContact CD2-CE2 3.93Å; P140-F178 HydrophobicContact CG-CB 4.07Å; D175-F178 WeakPolarHBondContact OD1-CD2 3.26Å; D175-F178 PolarHBondContact OD1-N 3.25Å; P176-F178 HydrophobicContact CG-CD1 4.1Å; P176-F178 HydrophobicContact CG-CD2 4.38Å; P176-F178 HydrophobicContact CG-CE1 3.75Å; P176-F178 HydrophobicContact CG-CE2 4.07Å; P176-F178 HydrophobicContact CG-CG 4.4Å; P176-F178 HydrophobicContact CG-CZ 3.73Å; F178-H180 PolarHBondContact O-N 2.75Å; F178-D189 HydrophobicContact CD1-CB 3.69Å; F178-D189 HydrophobicContact CE1-CB 3.85Å; F178-M190 HydrophobicContact CB-CE 4.15Å; F178-M190 HydrophobicContact CD1-CE 4.49Å; F178-M190 HydrophobicContact CD2-CE 3.51Å; F178-M190 HydrophobicContact CE2-CE 3.97Å; F178-M190 HydrophobicContact CG-CE 3.82Å; F178-L196 HydrophobicContact CE1-CD2 4.1Å; F178-L196 HydrophobicContact CE2-CD2 3.77Å; F178-L196 HydrophobicContact CZ-CD2 3.48Å; F178-L196 VanDerWaalsContact CZ-CD2 3.48Å; F178-G200 WeakPolarHBondContact CZ-O 3.48Å; F178-V204 HydrophobicContact CE2-CG2 3.92Å; F178-V204 HydrophobicContact CZ-CG2 3.82Å
179V98.8Very high98.5Very high56 Ų5651.1 Ų51.134%0.33930%0.296SS..BIsolated β-bridgetrans-84.9111.6173.3-178.70000108.8P140 G177 I185P140-V179 HydrophobicContact CB-CG2 3.61Å; P140-V179 HydrophobicContact CG-CG2 3.78Å; G177-V179 PolarHBondContact O-N 3.48Å; V179-I185 HydrophobicContact CG2-CD1 4.18Å; V179-I185 HydrophobicContact CG2-CG1 3.98Å
180H98.6Very high98.6Very high77 Ų7750.9 Ų50.936%0.35629%0.294SS..  trans-71.8169.9177.2-57.1-50.6000112.1F178 D182 G183 T184F178-H180 PolarHBondContact O-N 2.75Å; H180-D182 WeakPolarHBondContact CB-OD1 3.49Å; H180-D182 PolarHBondContact O-N 3.36Å; H180-G183 WeakPolarHBondContact O-CA 3.43Å; H180-G183 PolarHBondContact O-N 3.39Å; H180-T184 PolarHBondContact CD2-O 2.93Å; H180-T184 PolarHBondContact N-O 3.02Å
181S98.4Very high98.6Very high137 Ų13754.6 Ų54.696%0.95831%0.307SS*.THydrogen-bonded Turntrans-61.5-24-179.554.90000114.1G183S181-G183 PolarHBondContact O-N 3.33Å
182D98.1Very high98.6Very high110 Ų11056 Ų5659%0.58832%0.316SS*.THydrogen-bonded Turntrans-83.32.7173.869.1-2.4000113.1H180 T184H180-D182 WeakPolarHBondContact CB-OD1 3.49Å; H180-D182 PolarHBondContact O-N 3.36Å; D182-T184 VanDerWaalsContact C-N 3.29Å; D182-T184 VanDerWaalsContact CG-OG1 3.29Å; D182-T184 PolarHBondContact O-N 3.48Å; D182-T184 WeakPolarHBondContact OD1-CB 3.31Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.21Å; D182-T184 PolarHBondContact OD1-N 2.7Å; D182-T184 PolarHBondContact OD1-OG1 3.49Å; D182-T184 PolarHBondContact OD2-OG1 3.04Å
183G98.4Very high98.6Very high14 Ų1458 Ų5814%0.14432%0.322CS..SBendtrans79.83.6-178.400000114.4P145 R149 H180 S181P145-G183 WeakPolarHBondContact CD-O 3.46Å; R149-G183 PolarHBondContact NH1-O 2.84Å; R149-G183 PolarHBondContact NH2-O 2.8Å; H180-G183 WeakPolarHBondContact O-CA 3.43Å; H180-G183 PolarHBondContact O-N 3.39Å; S181-G183 PolarHBondContact O-N 3.33Å
184T98.8Very high98.6Very high29 Ų2955.6 Ų55.618%0.17831%0.309CS..  trans-87.6156.9179.7690000112.9Q143 H180 D182Q143-T184 CarbonylContact O-C 3.45Å; Q143-T184 WeakPolarHBondContact O-CA 3.46Å; H180-T184 PolarHBondContact CD2-O 2.93Å; H180-T184 PolarHBondContact N-O 3.02Å; D182-T184 VanDerWaalsContact C-N 3.29Å; D182-T184 VanDerWaalsContact CG-OG1 3.29Å; D182-T184 PolarHBondContact O-N 3.48Å; D182-T184 WeakPolarHBondContact OD1-CB 3.31Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.21Å; D182-T184 PolarHBondContact OD1-N 2.7Å; D182-T184 PolarHBondContact OD1-OG1 3.49Å; D182-T184 PolarHBondContact OD2-OG1 3.04Å
185I98.9Very high98.6Very high3 Ų356.9 Ų56.92%0.01531%0.314CS..BIsolated β-bridgetrans-110.4129163.3-66.9171.1000107.4P140 G142 Q143 V179 M190 Y193P140-I185 HydrophobicContact CB-CD1 3.95Å; P140-I185 HydrophobicContact CG-CD1 4.14Å; G142-I185 WeakPolarHBondContact O-CD1 3.34Å; Q143-I185 PolarHBondContact O-N 2.89Å; V179-I185 HydrophobicContact CG2-CD1 4.18Å; V179-I185 HydrophobicContact CG2-CG1 3.98Å; I185-M190 HydrophobicContact CD1-SD 4.19Å; I185-M190 HydrophobicContact CG2-CB 4.02Å; I185-M190 HydrophobicContact CG2-CG 4.15Å; I185-M190 HydrophobicContact CG2-SD 3.83Å; I185-Y193 WeakPolarHBondContact O-CE1 3.49Å
186S98.8Very high98.6Very high29 Ų2954.6 Ų54.620%0.20330%0.302CS..  trans-70136.1177-178.90000111.9H188 D189 M190S186-H188 PolarHBondContact O-N 3Å; S186-H188 WeakPolarHBondContact OG-CB 3.42Å; S186-H188 PolarHBondContact OG-N 3.4Å; S186-H188 VanDerWaalsContact OG-N 3.15Å; S186-D189 PolarHBondContact O-N 3.44Å; S186-M190 PolarHBondContact O-N 3.1Å
187H98.6Very high98.6Very high99 Ų9952 Ų5246%0.45829%0.286SS..THydrogen-bonded Turntrans-65.4-16.717175.6-78000112.8D189 M190 Y191 Y193H187-D189 VanDerWaalsContact C-N 3.29Å; H187-M190 VanDerWaalsContact CA-O 3.32Å; H187-M190 WeakPolarHBondContact CA-O 3.22Å; H187-M190 CarbonylContact O-C 3.52Å; H187-Y191 VanDerWaalsContact O-CA 3.25Å; H187-Y191 WeakPolarHBondContact O-CA 3.49Å; H187-Y191 PolarHBondContact O-N 3.35Å; H187-Y193 HydrophobicContact CB-CE1 4.13Å
188H98.6Very high98.6Very high114 Ų11457.9 Ų57.953%0.52829%0.294SS..THydrogen-bonded Turntrans-69.1-29.1171.3-65.8-59.6000112.1S186 S197 L199S186-H188 PolarHBondContact O-N 3Å; S186-H188 WeakPolarHBondContact OG-CB 3.42Å; S186-H188 PolarHBondContact OG-N 3.4Å; S186-H188 VanDerWaalsContact OG-N 3.15Å; H188-S197 VanDerWaalsContact O-CB 3.28Å; H188-S197 WeakPolarHBondContact O-CB 3.47Å; H188-S197 PolarHBondContact O-OG 2.96Å; H188-L199 HydrophobicContact CB-CD2 4.16Å
189D98.8Very high98.6Very high29 Ų2962.6 Ų62.616%0.15532%0.319CS..THydrogen-bonded Turntrans-90.6-44.4176.6-65.4-45.9000111.5F178 S186 H187 L196 S197F178-D189 HydrophobicContact CD1-CB 3.69Å; F178-D189 HydrophobicContact CE1-CB 3.85Å; S186-D189 PolarHBondContact O-N 3.44Å; H187-D189 VanDerWaalsContact C-N 3.29Å; D189-L196 CarbonylContact O-C 3.55Å; D189-L196 WeakPolarHBondContact O-CA 3.23Å; D189-S197 PolarHBondContact O-N 3.13Å; D189-S197 PolarHBondContact O-OG 3.47Å
190M98.8Very high98.5Very high0 Ų060 Ų600%030%0.302CS..BIsolated β-bridgetrans-128.7101.5176.8-68.1176.3-17100110.9L139 P140 F178 I185 S186 H187 D192 Y193 H195 L196L139-M190 HydrophobicContact CB-CE 4.07Å; L139-M190 HydrophobicContact CD1-CE 4.1Å; P140-M190 WeakPolarHBondContact O-CE 3.43Å; F178-M190 HydrophobicContact CB-CE 4.15Å; F178-M190 HydrophobicContact CD1-CE 4.49Å; F178-M190 HydrophobicContact CD2-CE 3.51Å; F178-M190 HydrophobicContact CE2-CE 3.97Å; F178-M190 HydrophobicContact CG-CE 3.82Å; I185-M190 HydrophobicContact CD1-SD 4.19Å; I185-M190 HydrophobicContact CG2-CB 4.02Å; I185-M190 HydrophobicContact CG2-CG 4.15Å; I185-M190 HydrophobicContact CG2-SD 3.83Å; S186-M190 PolarHBondContact O-N 3.1Å; H187-M190 VanDerWaalsContact CA-O 3.32Å; H187-M190 WeakPolarHBondContact CA-O 3.22Å; H187-M190 CarbonylContact O-C 3.52Å; M190-D192 PolarHBondContact O-N 3.45Å; M190-Y193 PolarHBondContact O-N 2.92Å; M190-H195 CarbonylContact C-O 3.56Å; M190-H195 WeakPolarHBondContact CA-O 3.39Å; M190-L196 HydrophobicContact CE-CD2 3.84Å; M190-L196 HydrophobicContact CG-CD2 3.85Å
191Y98.6Very high98.5Very high124 Ų12456.4 Ų56.449%0.48629%0.286SS..THydrogen-bonded Turntrans-63.8-21-167.158.9-100.1000114.9H187 H195 L196H187-Y191 VanDerWaalsContact O-CA 3.25Å; H187-Y191 WeakPolarHBondContact O-CA 3.49Å; H187-Y191 PolarHBondContact O-N 3.35Å; Y191-H195 HydrophobicContact CD1-CB 4.47Å; Y191-H195 WeakPolarHBondContact CD1-O 3.12Å; Y191-H195 HydrophobicContact CE1-CB 3.6Å; Y191-H195 HydrophobicContact CE2-CB 4.03Å; Y191-H195 PolarHBondContact N-O 3.3Å; Y191-H195 WeakPolarHBondContact OH-CB 3.25Å; Y191-L196 WeakPolarHBondContact CE1-O 3.35Å
192D98.7Very high98.5Very high69 Ų6951.8 Ų51.837%0.36925%0.252SS..THydrogen-bonded Turntrans-125.619.7172.864.11.8000112.2M190 L194 H195M190-D192 PolarHBondContact O-N 3.45Å; D192-L194 PolarHBondContact O-N 2.97Å; D192-L194 PolarHBondContact OD1-N 3.45Å; D192-H195 IonicContact OD1-CG 2.7Å; D192-H195 PolarHBondContact OD1-N 3.45Å; D192-H195 IonicContact OD1-ND1 3.02Å; D192-H195 PolarHBondContact OD1-ND1 3.48Å; D192-H195 IonicContact OD2-CE1 3.3Å; D192-H195 IonicContact OD2-CG 3Å; D192-H195 IonicContact OD2-ND1 3.8Å; D192-H195 PolarHBondContact OD2-ND1 3.39Å
193Y98.8Very high98.6Very high65 Ų6548.8 Ų48.826%0.25524%0.238SC..SBendtrans60.221.9-175.4-39.7-73.7000114.2R141 G142 Q143 I185 H187 M190R141-Y193 CarbonylContact C-O 3.59Å; R141-Y193 VanDerWaalsContact CA-O 3.22Å; R141-Y193 WeakPolarHBondContact CA-O 3.31Å; R141-Y193 WeakPolarHBondContact CB-O 3.33Å; G142-Y193 PolarHBondContact N-O 3.32Å; Q143-Y193 HydrophobicContact CB-CD1 3.73Å; Q143-Y193 HydrophobicContact CB-CD2 3.96Å; Q143-Y193 HydrophobicContact CB-CE1 3.73Å; Q143-Y193 HydrophobicContact CB-CE2 3.94Å; Q143-Y193 HydrophobicContact CB-CG 3.84Å; Q143-Y193 HydrophobicContact CG-CD1 4.05Å; Q143-Y193 HydrophobicContact CG-CE1 3.59Å; Q143-Y193 HydrophobicContact CG-CE2 4.37Å; Q143-Y193 PolarHBondContact OE1-OH 3.38Å; I185-Y193 WeakPolarHBondContact O-CE1 3.49Å; H187-Y193 HydrophobicContact CB-CE1 4.13Å; M190-Y193 PolarHBondContact O-N 2.92Å
194L98.8Very high98.6Very high27 Ų2748.1 Ų48.114%0.14123%0.231CC..SBendtrans-136.7-56.2173.5171.459.3000110.9T103 R141 D192T103-L194 HydrophobicContact CG2-CD1 4.32Å; R141-L194 HydrophobicContact CB-CD1 4.25Å; R141-L194 VanDerWaalsContact CZ-CD1 3.48Å; D192-L194 PolarHBondContact O-N 2.97Å; D192-L194 PolarHBondContact OD1-N 3.45Å
195H98.8Very high98.6Very high33 Ų3346.7 Ų46.715%0.15322%0.223CC..SBendtrans-89.2133.4-176.3-60.1106.7000110.3S47 L51 M190 Y191 D192S47-H195 WeakPolarHBondContact CB-NE2 3.46Å; S47-H195 PolarHBondContact OG-CD2 2.84Å; S47-H195 VanDerWaalsContact OG-CD2 3.3Å; S47-H195 PolarHBondContact OG-NE2 3.14Å; L51-H195 HydrophobicContact CD1-CB 4.21Å; M190-H195 CarbonylContact C-O 3.56Å; M190-H195 WeakPolarHBondContact CA-O 3.39Å; Y191-H195 HydrophobicContact CD1-CB 4.47Å; Y191-H195 WeakPolarHBondContact CD1-O 3.12Å; Y191-H195 HydrophobicContact CE1-CB 3.6Å; Y191-H195 HydrophobicContact CE2-CB 4.03Å; Y191-H195 PolarHBondContact N-O 3.3Å; Y191-H195 WeakPolarHBondContact OH-CB 3.25Å; D192-H195 IonicContact OD1-CG 2.7Å; D192-H195 PolarHBondContact OD1-N 3.45Å; D192-H195 IonicContact OD1-ND1 3.02Å; D192-H195 PolarHBondContact OD1-ND1 3.48Å; D192-H195 IonicContact OD2-CE1 3.3Å; D192-H195 IonicContact OD2-CG 3Å; D192-H195 IonicContact OD2-ND1 3.8Å; D192-H195 PolarHBondContact OD2-ND1 3.39Å
196L98.8Very high98.6Very high4 Ų454.4 Ų54.42%0.02125%0.252CS..BIsolated β-bridgetrans-69.5140.1-179.5-64.7170.7000111L48 W100 L139 F178 D189 M190 Y191 Y201 V204L48-L196 HydrophobicContact CD2-CG 4.34Å; W100-L196 HydrophobicContact CH2-CD1 4.13Å; L139-L196 HydrophobicContact CD1-CD1 3.87Å; L139-L196 HydrophobicContact CD1-CD2 4.02Å; L139-L196 HydrophobicContact CD1-CG 4.14Å; F178-L196 HydrophobicContact CE1-CD2 4.1Å; F178-L196 HydrophobicContact CE2-CD2 3.77Å; F178-L196 HydrophobicContact CZ-CD2 3.48Å; F178-L196 VanDerWaalsContact CZ-CD2 3.48Å; D189-L196 CarbonylContact O-C 3.55Å; D189-L196 WeakPolarHBondContact O-CA 3.23Å; M190-L196 HydrophobicContact CE-CD2 3.84Å; M190-L196 HydrophobicContact CG-CD2 3.85Å; Y191-L196 WeakPolarHBondContact CE1-O 3.35Å; L196-Y201 HydrophobicContact CB-CD1 4.27Å; L196-Y201 HydrophobicContact CB-CD2 3.57Å; L196-Y201 HydrophobicContact CB-CE1 4.32Å; L196-Y201 HydrophobicContact CB-CE2 3.63Å; L196-Y201 HydrophobicContact CB-CG 3.9Å; L196-Y201 HydrophobicContact CD1-CD1 3.68Å; L196-Y201 HydrophobicContact CD1-CD2 4.49Å; L196-Y201 HydrophobicContact CD1-CE1 3.74Å; L196-Y201 HydrophobicContact CD1-CG 4.07Å; L196-Y201 WeakPolarHBondContact O-CE2 3.43Å; L196-V204 HydrophobicContact CD1-CB 4.43Å; L196-V204 HydrophobicContact CD1-CG1 4.49Å; L196-V204 HydrophobicContact CD1-CG2 3.97Å
197S98.4Very high98.6Very high23 Ų2354.9 Ų54.916%0.16126%0.257CS..  trans-75.5176.3163.282.30000110.4H188 D189 L199 G200 Y201H188-S197 VanDerWaalsContact O-CB 3.28Å; H188-S197 WeakPolarHBondContact O-CB 3.47Å; H188-S197 PolarHBondContact O-OG 2.96Å; D189-S197 PolarHBondContact O-N 3.13Å; D189-S197 PolarHBondContact O-OG 3.47Å; S197-L199 PolarHBondContact O-N 3.28Å; S197-L199 WeakPolarHBondContact OG-CB 3.32Å; S197-L199 PolarHBondContact OG-N 2.93Å; S197-G200 PolarHBondContact O-N 3.4Å; S197-G200 VanDerWaalsContact O-N 3.17Å; S197-G200 PolarHBondContact OG-N 3.05Å; S197-G200 VanDerWaalsContact OG-N 3.14Å; S197-Y201 WeakPolarHBondContact O-CD2 3.27Å; S197-Y201 PolarHBondContact O-N 2.91Å
198R97.4Very high98.6Very high171 Ų17150.1 Ų50.165%0.64524%0.235SC*.Hα-helixtrans-55.3-37.2168.6-175.2179.8-175.9-116.510.1112.2E56 T202E56-R198 IonicContact OE2-CZ 3.42Å; E56-R198 IonicContact OE2-NE 3.38Å; E56-R198 PolarHBondContact OE2-NE 2.67Å; E56-R198 IonicContact OE2-NH2 2.75Å; E56-R198 PolarHBondContact OE2-NH2 2.7Å; R198-T202 PolarHBondContact O-N 3.38Å; R198-T202 PolarHBondContact O-OG1 3.46Å
199L97.9Very high98.6Very high102 Ų10246.4 Ų46.453%0.53422%0.218SC..Hα-helixtrans-65.8-48.8176.6-179.564.4000110.3H188 S197 Y201 T202 P203H188-L199 HydrophobicContact CB-CD2 4.16Å; S197-L199 PolarHBondContact O-N 3.28Å; S197-L199 WeakPolarHBondContact OG-CB 3.32Å; S197-L199 PolarHBondContact OG-N 2.93Å; L199-Y201 PolarHBondContact O-N 3.09Å; L199-T202 WeakPolarHBondContact O-CB 3.39Å; L199-T202 PolarHBondContact O-N 2.89Å; L199-P203 WeakPolarHBondContact O-CD 3.17Å
200G98.5Very high98.6Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-64-36.917900000113.5F178 S197 T202 P203 V204F178-G200 WeakPolarHBondContact CZ-O 3.48Å; S197-G200 PolarHBondContact O-N 3.4Å; S197-G200 VanDerWaalsContact O-N 3.17Å; S197-G200 PolarHBondContact OG-N 3.05Å; S197-G200 VanDerWaalsContact OG-N 3.14Å; G200-T202 VanDerWaalsContact C-N 3.3Å; G200-T202 PolarHBondContact O-N 3.42Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å; G200-V204 WeakPolarHBondContact O-CG2 3.45Å
201Y98.8Very high98.5Very high2 Ų248.9 Ų48.91%0.00824%0.237CC..Hα-helixtrans-66.6-29.3176.4-91.3-63.3000113.4L48 L51 M52 C55 W100 L196 S197 L199 V204 C205L48-Y201 WeakPolarHBondContact CA-OH 3.22Å; L48-Y201 WeakPolarHBondContact O-CE1 3.43Å; L48-Y201 PolarHBondContact O-OH 3.48Å; L51-Y201 HydrophobicContact CB-CE2 4.33Å; L51-Y201 WeakPolarHBondContact CB-OH 3.37Å; M52-Y201 HydrophobicContact CB-CD1 4.35Å; M52-Y201 HydrophobicContact CB-CE1 3.73Å; M52-Y201 HydrophobicContact CE-CD1 4.44Å; M52-Y201 HydrophobicContact CE-CE1 4.14Å; M52-Y201 HydrophobicContact CG-CD1 4.19Å; M52-Y201 HydrophobicContact CG-CE1 4.04Å; M52-Y201 PolarHBondContact N-OH 2.69Å; C55-Y201 WeakPolarHBondContact SG-CD2 3.25Å; W100-Y201 HydrophobicContact CZ3-CE1 4.49Å; L196-Y201 HydrophobicContact CB-CD1 4.27Å; L196-Y201 HydrophobicContact CB-CD2 3.57Å; L196-Y201 HydrophobicContact CB-CE1 4.32Å; L196-Y201 HydrophobicContact CB-CE2 3.63Å; L196-Y201 HydrophobicContact CB-CG 3.9Å; L196-Y201 HydrophobicContact CD1-CD1 3.68Å; L196-Y201 HydrophobicContact CD1-CD2 4.49Å; L196-Y201 HydrophobicContact CD1-CE1 3.74Å; L196-Y201 HydrophobicContact CD1-CG 4.07Å; L196-Y201 WeakPolarHBondContact O-CE2 3.43Å; S197-Y201 WeakPolarHBondContact O-CD2 3.27Å; S197-Y201 PolarHBondContact O-N 2.91Å; L199-Y201 PolarHBondContact O-N 3.09Å; Y201-V204 PolarHBondContact O-N 3.39Å; Y201-C205 VanDerWaalsContact O-CB 3.28Å; Y201-C205 WeakPolarHBondContact O-CB 3.37Å; Y201-C205 PolarHBondContact O-N 2.88Å; Y201-C205 PolarHBondContact O-SG 3.43Å
202T98.3Very high98.5Very high40 Ų4043 Ų4325%0.24521%0.214CC..Hα-helixtrans-56.9-56.6-173.7-63.70000113.5R198 L199 G200 R206R198-T202 PolarHBondContact O-N 3.38Å; R198-T202 PolarHBondContact O-OG1 3.46Å; L199-T202 WeakPolarHBondContact O-CB 3.39Å; L199-T202 PolarHBondContact O-N 2.89Å; G200-T202 VanDerWaalsContact C-N 3.3Å; G200-T202 PolarHBondContact O-N 3.42Å; T202-R206 WeakPolarHBondContact O-CB 3.46Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.46Å; T202-R206 PolarHBondContact O-N 3.33Å; T202-R206 VanDerWaalsContact O-N 3.1Å
203P98.5Very high98.5Very high47 Ų4743.7 Ų43.731%0.30522%0.217SC..Hα-helixtrans-65.9-39.7178.825.2-33.9000112.7P176 L199 G200 C205 R206 A207P176-P203 HydrophobicContact CB-CB 3.91Å; P176-P203 HydrophobicContact CB-CG 4.14Å; P176-P203 HydrophobicContact CG-CB 4.04Å; P176-P203 HydrophobicContact CG-CG 3.73Å; L199-P203 WeakPolarHBondContact O-CD 3.17Å; G200-P203 WeakPolarHBondContact O-CD 3.27Å; P203-C205 PolarHBondContact O-N 3.33Å; P203-R206 PolarHBondContact O-N 3.26Å; P203-A207 PolarHBondContact O-N 3.06Å
204V98.8Very high98.5Very high0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-58.8-50.5178.5172.90000110.8W100 A174 F178 L196 G200 Y201 R206 A207 L208W100-V204 HydrophobicContact CH2-CG1 3.69Å; W100-V204 HydrophobicContact CZ2-CG1 4.42Å; W100-V204 HydrophobicContact CZ3-CG1 4.23Å; A174-V204 HydrophobicContact CB-CG1 3.99Å; A174-V204 WeakPolarHBondContact O-CG2 3.48Å; F178-V204 HydrophobicContact CE2-CG2 3.92Å; F178-V204 HydrophobicContact CZ-CG2 3.82Å; L196-V204 HydrophobicContact CD1-CB 4.43Å; L196-V204 HydrophobicContact CD1-CG1 4.49Å; L196-V204 HydrophobicContact CD1-CG2 3.97Å; G200-V204 WeakPolarHBondContact O-CG2 3.45Å; Y201-V204 PolarHBondContact O-N 3.39Å; V204-R206 PolarHBondContact O-N 3.02Å; V204-A207 PolarHBondContact O-N 3.42Å; V204-L208 PolarHBondContact O-N 2.85Å
205C98.7Very high98.4Very high0 Ų046.5 Ų46.50%023%0.225CC..Hα-helixtrans-67.7-36-178.7-64.70000111.8I57 L61 F62 Y201 P203 L208 H209I57-C205 HydrophobicContact CD1-CB 3.62Å; I57-C205 HydrophobicContact CG1-CB 4.11Å; I57-C205 HydrophobicContact CG2-CB 4.4Å; L61-C205 HydrophobicContact CD1-CB 4.08Å; F62-C205 HydrophobicContact CE2-CB 3.84Å; F62-C205 HydrophobicContact CZ-CB 3.85Å; Y201-C205 VanDerWaalsContact O-CB 3.28Å; Y201-C205 WeakPolarHBondContact O-CB 3.37Å; Y201-C205 PolarHBondContact O-N 2.88Å; Y201-C205 PolarHBondContact O-SG 3.43Å; P203-C205 PolarHBondContact O-N 3.33Å; C205-L208 PolarHBondContact O-N 3.29Å; C205-H209 WeakPolarHBondContact O-CB 3.29Å; C205-H209 PolarHBondContact O-N 3.48Å
206R98.5Very high98.2Very high165 Ų16545.5 Ų45.562%0.62322%0.221SC*.Hα-helixtrans-63-47.2175.2-76.6177.5179.8-172.70.9111.6T202 P203 V204 L208 H209 S210T202-R206 WeakPolarHBondContact O-CB 3.46Å; T202-R206 VanDerWaalsContact O-CG 3.3Å; T202-R206 WeakPolarHBondContact O-CG 3.46Å; T202-R206 PolarHBondContact O-N 3.33Å; T202-R206 VanDerWaalsContact O-N 3.1Å; P203-R206 PolarHBondContact O-N 3.26Å; V204-R206 PolarHBondContact O-N 3.02Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.35Å; R206-H209 PolarHBondContact O-N 2.85Å; R206-S210 WeakPolarHBondContact O-CB 3.43Å; R206-S210 PolarHBondContact O-N 2.9Å; R206-S210 PolarHBondContact O-OG 3.4Å
207A98.8Very high98Very high38 Ų3847.1 Ų47.131%0.31424%0.235SC..Hα-helixtrans-59-45.417700000111.5P203 V204 L211P203-A207 PolarHBondContact O-N 3.06Å; V204-A207 PolarHBondContact O-N 3.42Å; A207-L211 PolarHBondContact O-N 2.84Å
208L98.8Very high97.5Very high0 Ų051.1 Ų51.10%025%0.251CS..Hα-helixtrans-64.1-49.9177.5-179.255.2000112.2F43 M52 F62 V98 V134 L136 L172 V204 C205 R206 S210 L211 L212F43-L208 HydrophobicContact CD1-CD2 4.45Å; F43-L208 HydrophobicContact CE1-CD2 3.65Å; M52-L208 HydrophobicContact CE-CD2 4.34Å; F62-L208 HydrophobicContact CE1-CD2 4.4Å; F62-L208 HydrophobicContact CE1-CG 4.27Å; F62-L208 HydrophobicContact CZ-CB 4.44Å; F62-L208 HydrophobicContact CZ-CD2 4.18Å; F62-L208 HydrophobicContact CZ-CG 4.35Å; V98-L208 HydrophobicContact CG1-CD1 4.25Å; V98-L208 HydrophobicContact CG1-CD2 4.23Å; V134-L208 HydrophobicContact CG1-CD1 4.09Å; L136-L208 HydrophobicContact CD1-CD1 3.95Å; L136-L208 HydrophobicContact CD1-CD2 4.25Å; L136-L208 HydrophobicContact CD2-CD2 4.19Å; L172-L208 HydrophobicContact CD2-CB 3.96Å; L172-L208 HydrophobicContact CD2-CD1 3.77Å; L172-L208 HydrophobicContact CD2-CG 4.48Å; V204-L208 PolarHBondContact O-N 2.85Å; C205-L208 PolarHBondContact O-N 3.29Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.35Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.49Å; L208-L211 WeakPolarHBondContact O-CB 3.48Å; L208-L211 PolarHBondContact O-N 2.75Å; L208-L211 VanDerWaalsContact O-N 3.08Å; L208-L212 HydrophobicContact CD1-CD1 4.35Å; L208-L212 HydrophobicContact CD1-CD2 4.38Å; L208-L212 HydrophobicContact CD1-CG 4.13Å; L208-L212 HydrophobicContact CG-CD1 4.17Å; L208-L212 HydrophobicContact CG-CG 4.37Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 3.27Å
209H98.7Very high96.5Very high36 Ų3646.2 Ų46.217%0.16724%0.237CC..Hα-helixtrans-58.2-44.1179.4179.8-108.2000111.9L61 F62 C205 R206 L211 L212 L213L61-H209 HydrophobicContact CB-CB 4.32Å; L61-H209 HydrophobicContact CD1-CB 4.14Å; L61-H209 PolarHBondContact O-CD2 3.13Å; L61-H209 PolarHBondContact O-NE2 2.94Å; F62-H209 HydrophobicContact CE1-CB 3.9Å; F62-H209 HydrophobicContact CZ-CB 4.38Å; C205-H209 WeakPolarHBondContact O-CB 3.29Å; C205-H209 PolarHBondContact O-N 3.48Å; R206-H209 PolarHBondContact O-N 2.85Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 PolarHBondContact O-N 2.98Å; H209-L212 PolarHBondContact O-N 2.98Å; H209-L213 VanDerWaalsContact CE1-CD1 3.41Å; H209-L213 WeakPolarHBondContact CE1-CD1 3.45Å; H209-L213 PolarHBondContact O-N 3.2Å
210S98.6Very high95.3Very high69 Ų6947.3 Ų47.348%0.48324%0.24SC..Hα-helixtrans-60.9-36175.3-68.30000113.1R206 L208 R214R206-S210 WeakPolarHBondContact O-CB 3.43Å; R206-S210 PolarHBondContact O-N 2.9Å; R206-S210 PolarHBondContact O-OG 3.4Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.49Å; S210-R214 WeakPolarHBondContact O-CG 3.35Å; S210-R214 PolarHBondContact O-N 2.96Å; S210-R214 PolarHBondContact O-NE 2.94Å
211L98.6Very high93.3Very high12 Ų1250.5 Ų50.56%0.06327%0.273CS..Hα-helixtrans-68.7-46.8172.317561.5000111.3V134 H170 L172 A207 L208 H209 L213 R214 L215V134-L211 HydrophobicContact CG1-CD2 3.69Å; V134-L211 HydrophobicContact CG2-CD2 4.14Å; H170-L211 HydrophobicContact CB-CD2 4.5Å; L172-L211 HydrophobicContact CB-CD2 3.99Å; L172-L211 HydrophobicContact CD1-CD2 4.3Å; L172-L211 HydrophobicContact CD2-CD2 4.15Å; L172-L211 HydrophobicContact CG-CD2 4.37Å; A207-L211 PolarHBondContact O-N 2.84Å; L208-L211 WeakPolarHBondContact O-CB 3.48Å; L208-L211 PolarHBondContact O-N 2.75Å; L208-L211 VanDerWaalsContact O-N 3.08Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 PolarHBondContact O-N 2.98Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.45Å; L211-R214 VanDerWaalsContact CD1-NH2 3.28Å; L211-R214 PolarHBondContact O-N 3.27Å; L211-L215 HydrophobicContact CD1-CD1 4Å; L211-L215 HydrophobicContact CD1-CD2 4.4Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 HydrophobicContact CG-CG 4.41Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.35Å
212L98.6Very high90.8Very high0 Ų056.9 Ų56.90%030%0.303CS..Hα-helixtrans-59-44.5-178.9-66.2-179.8000112V41 F43 F62 L65 I96 V98 V134 L208 H209 R214 L215 L216V41-L212 HydrophobicContact CG1-CD1 4.43Å; F43-L212 HydrophobicContact CE1-CD1 4.45Å; F43-L212 HydrophobicContact CE2-CD1 4.46Å; F43-L212 HydrophobicContact CZ-CD1 3.71Å; F62-L212 HydrophobicContact CD1-CD1 4.11Å; F62-L212 HydrophobicContact CE1-CD1 4.01Å; L65-L212 HydrophobicContact CD1-CB 4.07Å; L65-L212 HydrophobicContact CD1-CD1 3.94Å; I96-L212 HydrophobicContact CB-CD2 4.42Å; I96-L212 HydrophobicContact CD1-CD2 3.82Å; I96-L212 HydrophobicContact CG2-CD2 3.72Å; V98-L212 HydrophobicContact CG2-CD1 4.44Å; V98-L212 HydrophobicContact CG2-CD2 3.86Å; V134-L212 HydrophobicContact CG2-CD2 4.31Å; L208-L212 HydrophobicContact CD1-CD1 4.35Å; L208-L212 HydrophobicContact CD1-CD2 4.38Å; L208-L212 HydrophobicContact CD1-CG 4.13Å; L208-L212 HydrophobicContact CG-CD1 4.17Å; L208-L212 HydrophobicContact CG-CG 4.37Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 3.27Å; H209-L212 PolarHBondContact O-N 2.98Å; L212-R214 PolarHBondContact O-N 2.91Å; L212-L215 PolarHBondContact O-N 3.48Å; L212-L216 WeakPolarHBondContact O-CB 3.21Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.42Å
213L98.4Very high88.2Confident83 Ų8358.5 Ų58.544%0.43533%0.328SS..Hα-helixtrans-60.4-43176.7-72.4-174.5000112.6L65 H209 L211 L215 L216 A217L65-L213 HydrophobicContact CD2-CD2 3.86Å; H209-L213 VanDerWaalsContact CE1-CD1 3.41Å; H209-L213 WeakPolarHBondContact CE1-CD1 3.45Å; H209-L213 PolarHBondContact O-N 3.2Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.45Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.14Å; L213-L216 PolarHBondContact O-N 3.14Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.38Å
214R97.7Very high85.3Confident148 Ų14861.7 Ų61.756%0.55835%0.347SS*.Hα-helixtrans-61.3-43.2177-73.6-174.5-62.1134.8-5.8111.7S210 L211 L212 Q218S210-R214 WeakPolarHBondContact O-CG 3.35Å; S210-R214 PolarHBondContact O-N 2.96Å; S210-R214 PolarHBondContact O-NE 2.94Å; L211-R214 VanDerWaalsContact CD1-NH2 3.28Å; L211-R214 PolarHBondContact O-N 3.27Å; L212-R214 PolarHBondContact O-N 2.91Å; R214-Q218 WeakPolarHBondContact O-CG 3.22Å; R214-Q218 PolarHBondContact O-N 3.4Å
215L96.8Very high82.6Confident4 Ų467.3 Ų67.32%0.02138%0.383CS..Hα-helixtrans-67.7-46.7178.6-64.6-179.1000110.9I96 R132 V134 L211 L212 L213 A217 Q218 D219I96-L215 HydrophobicContact CD1-CB 3.63Å; I96-L215 HydrophobicContact CD1-CD1 4.23Å; R132-L215 VanDerWaalsContact NH1-C 3.27Å; R132-L215 PolarHBondContact NH1-O 3.3Å; V134-L215 HydrophobicContact CG2-CD1 3.69Å; L211-L215 HydrophobicContact CD1-CD1 4Å; L211-L215 HydrophobicContact CD1-CD2 4.4Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 HydrophobicContact CG-CG 4.41Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.35Å; L212-L215 PolarHBondContact O-N 3.48Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.14Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3Å; L215-Q218 WeakPolarHBondContact O-CB 3.31Å; L215-Q218 PolarHBondContact O-N 3.35Å; L215-Q218 VanDerWaalsContact O-N 3.13Å; L215-D219 PolarHBondContact O-N 2.93Å
216L95.2Very high80.1Confident12 Ų1275.3 Ų75.36%0.06343%0.425CS..Hα-helixtrans-60.1-37.3178.2-70.6169.4000112.2V41 L65 K95 I96 L212 L213 D219 Q220V41-L216 HydrophobicContact CG2-CD1 4.39Å; L65-L216 HydrophobicContact CD1-CD1 4.34Å; L65-L216 HydrophobicContact CD2-CD1 3.96Å; K95-L216 HydrophobicContact CB-CD2 4.03Å; K95-L216 HydrophobicContact CD-CD2 3.8Å; I96-L216 HydrophobicContact CD1-CD2 3.96Å; I96-L216 HydrophobicContact CD1-CG 3.82Å; I96-L216 HydrophobicContact CG1-CD2 4.34Å; L212-L216 WeakPolarHBondContact O-CB 3.21Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 3.14Å; L216-D219 PolarHBondContact O-N 3.03Å; L216-Q220 PolarHBondContact O-N 3.49Å
217A93.6Very high77.5Confident37 Ų3772.1 Ų72.131%0.30643%0.428SS..Hα-helixtrans-65.8-38.4175.600000113.2L213 L215 D219 Q220 Q222L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.38Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3Å; A217-D219 VanDerWaalsContact C-N 3.29Å; A217-D219 PolarHBondContact O-N 2.93Å; A217-Q220 PolarHBondContact O-N 2.73Å; A217-Q220 VanDerWaalsContact O-N 3.15Å; A217-Q222 PolarHBondContact O-N 3.45Å
218Q88.3Confident74.9Confident107 Ų10778.7 Ų78.750%0.545%0.452SS..Hα-helixtrans-63-35176.2-72.9171.20.400112.3R214 L215 Q220 G221R214-Q218 WeakPolarHBondContact O-CG 3.22Å; R214-Q218 PolarHBondContact O-N 3.4Å; L215-Q218 WeakPolarHBondContact O-CB 3.31Å; L215-Q218 PolarHBondContact O-N 3.35Å; L215-Q218 VanDerWaalsContact O-N 3.13Å; Q218-Q220 VanDerWaalsContact C-N 3.27Å; Q218-Q220 PolarHBondContact O-N 3.26Å; Q218-G221 PolarHBondContact O-N 3.23Å
219D76.8Confident72.1Confident68 Ų6884.9 Ų84.936%0.36449%0.49SS..Hα-helixtrans-72.1-22.4176.6-81.74000113R132 L215 L216 A217 G221R132-D219 IonicContact CZ-OD1 3.67Å; R132-D219 IonicContact NE-OD1 3.95Å; R132-D219 IonicContact NH1-OD1 3.93Å; R132-D219 PolarHBondContact NH1-OD1 2.77Å; R132-D219 IonicContact NH1-OD2 3.84Å; R132-D219 IonicContact NH2-OD1 3.61Å; R132-D219 PolarHBondContact NH2-OD1 3.47Å; L215-D219 PolarHBondContact O-N 2.93Å; L216-D219 PolarHBondContact O-N 3.03Å; A217-D219 VanDerWaalsContact C-N 3.29Å; A217-D219 PolarHBondContact O-N 2.93Å; D219-G221 VanDerWaalsContact C-N 3.29Å
220Q72.5Confident69.1Low125 Ų12588.8 Ų88.858%0.58452%0.517SS*.THydrogen-bonded Turntrans-86.44.2175.5-64.8-172.913.500113.4L216 A217 Q218 Q222L216-Q220 PolarHBondContact O-N 3.49Å; A217-Q220 PolarHBondContact O-N 2.73Å; A217-Q220 VanDerWaalsContact O-N 3.15Å; Q218-Q220 VanDerWaalsContact C-N 3.27Å; Q218-Q220 PolarHBondContact O-N 3.26Å; Q220-Q222 VanDerWaalsContact C-N 3.26Å; Q220-Q222 PolarHBondContact O-N 3.16Å
221G57.4Low66.9Low68 Ų6894.6 Ų94.670%0.70155%0.553SS**THydrogen-bonded Turntrans73.411.8178.300000114.8Q218 D219 G223Q218-G221 PolarHBondContact O-N 3.23Å; D219-G221 VanDerWaalsContact C-N 3.29Å; G221-G223 VanDerWaalsContact C-N 3.3Å; G221-G223 PolarHBondContact O-N 2.94Å; G221-G223 VanDerWaalsContact O-N 3.08Å
222Q46.4Very low65.3Low135 Ų13598.8 Ų98.863%0.63158%0.578SS**  trans-84.776.7172.6-68.7-170.78.200109.9A217 Q220 T224A217-Q222 PolarHBondContact O-N 3.45Å; Q220-Q222 VanDerWaalsContact C-N 3.26Å; Q220-Q222 PolarHBondContact O-N 3.16Å; Q222-T224 PolarHBondContact O-N 2.65Å
223G42.6Very low63.5Low75 Ų75103.9 Ų103.977%0.77361%0.608SS**  trans-73.99616400000109.8G221G221-G223 VanDerWaalsContact C-N 3.3Å; G221-G223 PolarHBondContact O-N 2.94Å; G221-G223 VanDerWaalsContact O-N 3.08Å
224T38.4Very low61.6Low114 Ų114105.1 Ų105.170%0.69962%0.618SS**  trans-107.3112159.1-38.90000107.6Q222 L226Q222-T224 PolarHBondContact O-N 2.65Å; T224-L226 PolarHBondContact O-N 2.79Å
225P40.8Very low59.5Low118 Ų118102.6 Ų102.677%0.76662%0.621SS**  trans-68.3118.8169.45.36.9000107.7S227P225-S227 PolarHBondContact O-N 2.75Å
226L47.6Very low57.2Low167 Ų167108.8 Ų108.887%0.87466%0.659SS**  trans-71.4115167.4-78163.2000107.8T224 E228T224-L226 PolarHBondContact O-N 2.79Å; L226-E228 PolarHBondContact O-N 2.91Å
227S42.9Very low54.6Low99 Ų99115.2 Ų115.269%0.69270%0.698SS**  trans-50.3122.6166.3178.10000109.8P225 T229P225-S227 PolarHBondContact O-N 2.75Å; S227-T229 PolarHBondContact O-N 3.23Å
228E43.6Very low51.8Low175 Ų175120.8 Ų120.882%0.81873%0.726SS**  trans-54.9127160.3-71.7178.4163.100108L226L226-E228 PolarHBondContact O-N 2.91Å
229T40.3Very low49Very low130 Ų130121.8 Ų121.880%0.79874%0.744SS**  trans-12093.7164.638.20000106.7S227S227-T229 PolarHBondContact O-N 3.23Å
230T35.4Very low46.7Very low119 Ų119126.3 Ų126.373%0.7378%0.776SS**  trans-79147.3162-21.30000108.6
231P52.8Low44.4Very low191 Ų191126.5 Ų126.5100%1.2479%0.793SS**  trans-98.70131.928.3-25.3000110.8

Retrieved 231 of 231 residues in 70.5 ms (Link to these results)

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