A0A077Z292_TRITR Loading...

Serine/threonine-protein phosphatase

Serine/threonine-protein phosphatase which antagonizes the function of air-2 in the regulation of chromosome cohesion. Dephosphorylates histone H3 at 'Ser-10'. Dephosphorylates translation initiation factor eIF2alpha. Involved in the activation of chloride channel clh-3 during cell swelling and meiotic maturation.

AlphaFold DB , UniProt , Accession A0A077Z292, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M47Very low60.2Low170 Ų17082.1 Ų82.184%0.83746%0.461SS*.  06.90-114.6-171.2-6400113.6S5 K101M1-S5 PolarHBondContact O-OG 3.1Å; M1-K101 PolarHBondContact SD-NZ 2.94Å
2T55.5Low61.5Low104 Ų10484.4 Ų84.464%0.63848%0.482SS*.Hα-helixtrans-74-19177.930.70000114.4S6T2-S6 VanDerWaalsContact O-CB 3.29Å; T2-S6 WeakPolarHBondContact O-CB 3.45Å; T2-S6 PolarHBondContact O-N 3.12Å; T2-S6 PolarHBondContact O-OG 3.49Å
3L60.1Low62.8Low27 Ų2781.3 Ų81.314%0.14148%0.48CS..Hα-helixtrans-64.6-50.3-174.5-60.3178.8000112.5S6 V16 M18 L26 Y57 C93 L94 A97L3-S6 PolarHBondContact O-OG 3.16Å; L3-V16 HydrophobicContact CD2-CB 4.45Å; L3-V16 HydrophobicContact CD2-CG1 3.48Å; L3-V16 VanDerWaalsContact CD2-CG1 3.48Å; L3-M18 HydrophobicContact CD1-SD 4.26Å; L3-M18 HydrophobicContact CD2-CG 3.52Å; L3-M18 HydrophobicContact CD2-SD 3.42Å; L3-M18 WeakPolarHBondContact CD2-SD 3.43Å; L3-L26 HydrophobicContact CD1-CD1 4.49Å; L3-Y57 PolarHBondContact O-OH 3.32Å; L3-Y57 VanDerWaalsContact O-OH 3.07Å; L3-C93 HydrophobicContact CD1-CB 4.27Å; L3-L94 HydrophobicContact CB-CD1 4.25Å; L3-A97 HydrophobicContact CD1-CB 4.25Å
4G56.7Low64.3Low6 Ų682.4 Ų82.46%0.06248%0.476CS..Hα-helixtrans-77.6-35.9-178.700000114.4R8G4-R8 WeakPolarHBondContact O-CG 3.19Å
5S59.7Low65.7Low80 Ų8082.3 Ų82.356%0.55948%0.477SS*.Hα-helixtrans-75.9-27.3-17557.40000113.8M1 V7M1-S5 PolarHBondContact O-OG 3.1Å; S5-V7 VanDerWaalsContact C-N 3.32Å; S5-V7 PolarHBondContact O-N 3.08Å
6S58.2Low67.2Low50 Ų5077.8 Ų77.835%0.3545%0.451SS..THydrogen-bonded Turntrans-77.6-12.2-174.662.80000115.2T2 L3 K14T2-S6 VanDerWaalsContact O-CB 3.29Å; T2-S6 WeakPolarHBondContact O-CB 3.45Å; T2-S6 PolarHBondContact O-N 3.12Å; T2-S6 PolarHBondContact O-OG 3.49Å; L3-S6 PolarHBondContact O-OG 3.16Å; S6-K14 PolarHBondContact O-NZ 3.22Å; S6-K14 VanDerWaalsContact O-NZ 3.12Å
7V60.8Low68.4Low3 Ų379.1 Ų79.12%0.01847%0.473CS..THydrogen-bonded Turntrans-116.1-16.5-177.5-165.40000112.9S5 G9 C10 K14 V16 Y57 L61S5-V7 VanDerWaalsContact C-N 3.32Å; S5-V7 PolarHBondContact O-N 3.08Å; V7-G9 PolarHBondContact O-N 3.02Å; V7-C10 HydrophobicContact CG1-CB 4.22Å; V7-C10 VanDerWaalsContact O-CB 3.24Å; V7-C10 WeakPolarHBondContact O-CB 3.34Å; V7-C10 PolarHBondContact O-N 3.24Å; V7-K14 HydrophobicContact CG1-CB 4.27Å; V7-V16 HydrophobicContact CG2-CG2 3.35Å; V7-Y57 HydrophobicContact CB-CE1 4.25Å; V7-Y57 HydrophobicContact CG1-CE1 4.33Å; V7-Y57 HydrophobicContact CG2-CE1 4.17Å; V7-L61 HydrophobicContact CB-CD1 4.45Å
8R61.4Low69.8Low110 Ų11075.8 Ų75.842%0.41545%0.452SS..THydrogen-bonded Turntrans-55.7128.4173.6-76.8-174.8-158.8-163.214.9110.4G4 C10G4-R8 WeakPolarHBondContact O-CG 3.19Å; R8-C10 PolarHBondContact O-N 3.21Å
9G62.9Low71.2Confident90 Ų9075.7 Ų75.793%0.92845%0.453SS*.THydrogen-bonded Turntrans74.3-3.4-175.800000115.9V7V7-G9 PolarHBondContact O-N 3.02Å
10C68.1Low72.5Confident43 Ų4374.8 Ų74.829%0.29144%0.443SS..SBendtrans-77.9162.9173.1-67.60000111.4V7 R8 K14V7-C10 HydrophobicContact CG1-CB 4.22Å; V7-C10 VanDerWaalsContact O-CB 3.24Å; V7-C10 WeakPolarHBondContact O-CB 3.34Å; V7-C10 PolarHBondContact O-N 3.24Å; R8-C10 PolarHBondContact O-N 3.21Å; C10-K14 HydrophobicContact CB-CB 4.25Å; C10-K14 HydrophobicContact CB-CD 3.51Å; C10-K14 VanDerWaalsContact SG-CD 3.55Å; C10-K14 PolarHBondContact SG-NZ 3.37Å
11R72.1Confident73.7Confident220 Ų22076.2 Ų76.283%0.8345%0.449SS*.PPolyproline II helixtrans-59.4134.1174.6-68.1-177.5-179.9-179.11109.8G13 K14R11-G13 PolarHBondContact O-N 3.25Å; R11-K14 PolarHBondContact O-N 2.97Å
12P75.6Confident76.1Confident110 Ų11073 Ų7371%0.71443%0.432SS*.THydrogen-bonded Turntrans-50.4136173.3-28.434.9000111.4
13G78.7Confident78.2Confident44 Ų4468 Ų6845%0.45440%0.401SS..THydrogen-bonded Turntrans94.6-3.4-176.700000115.2R11 T15 N58 Q87R11-G13 PolarHBondContact O-N 3.25Å; G13-T15 PolarHBondContact O-N 2.88Å; G13-N58 PolarHBondContact N-ND2 2.83Å; G13-Q87 VanDerWaalsContact CA-OE1 3.27Å
14K83.2Confident80Confident97 Ų9768.7 Ų68.742%0.42240%0.402SS..PPolyproline II helixtrans-63.5122172-176.4-175.4177.5-166.10109.4S6 V7 C10 R11 Q87S6-K14 PolarHBondContact O-NZ 3.22Å; S6-K14 VanDerWaalsContact O-NZ 3.12Å; V7-K14 HydrophobicContact CG1-CB 4.27Å; C10-K14 HydrophobicContact CB-CB 4.25Å; C10-K14 HydrophobicContact CB-CD 3.51Å; C10-K14 VanDerWaalsContact SG-CD 3.55Å; C10-K14 PolarHBondContact SG-NZ 3.37Å; R11-K14 PolarHBondContact O-N 2.97Å; K14-Q87 PolarHBondContact O-NE2 2.76Å
15T86.1Confident82Confident81 Ų8172 Ų7250%0.49742%0.417SS..PPolyproline II helixtrans-73.9148.6175.754.50000111.2G13 E90G13-T15 PolarHBondContact O-N 2.88Å; T15-E90 VanDerWaalsContact CA-OE1 3.23Å; T15-E90 WeakPolarHBondContact CA-OE1 3.45Å; T15-E90 WeakPolarHBondContact CB-OE1 3.36Å
16V88.7Confident83.8Confident9 Ų969.6 Ų69.66%0.05540%0.398CS..PPolyproline II helixtrans-90.3132.8172.4-175.30000109.3L3 V7 M18 Y57 E90L3-V16 HydrophobicContact CD2-CB 4.45Å; L3-V16 HydrophobicContact CD2-CG1 3.48Å; L3-V16 VanDerWaalsContact CD2-CG1 3.48Å; V7-V16 HydrophobicContact CG2-CG2 3.35Å; V16-M18 HydrophobicContact CB-CE 4.5Å; V16-M18 HydrophobicContact CG1-CG 4.12Å; V16-M18 PolarHBondContact O-N 2.86Å; V16-Y57 HydrophobicContact CG2-CE1 4.25Å; V16-E90 HydrophobicContact CB-CG 3.94Å; V16-E90 HydrophobicContact CG2-CG 3.68Å; V16-E90 PolarHBondContact N-OE1 3.13Å
17A88.2Confident85.8Confident101 Ų10167.2 Ų67.284%0.83538%0.382SS*.  trans-71.6114.2172.600000109.4
18M93.6Very high87.6Confident19 Ų1971 Ų719%0.09440%0.401CS..  trans-136.7140174.9-62.9178.6-73.900107.8L3 V16 I23 E90 C93 F132L3-M18 HydrophobicContact CD1-SD 4.26Å; L3-M18 HydrophobicContact CD2-CG 3.52Å; L3-M18 HydrophobicContact CD2-SD 3.42Å; L3-M18 WeakPolarHBondContact CD2-SD 3.43Å; V16-M18 HydrophobicContact CB-CE 4.5Å; V16-M18 HydrophobicContact CG1-CG 4.12Å; V16-M18 PolarHBondContact O-N 2.86Å; M18-I23 HydrophobicContact CB-CD1 4.06Å; M18-I23 HydrophobicContact CB-CG1 4.05Å; M18-I23 HydrophobicContact CE-CD1 4.32Å; M18-I23 HydrophobicContact SD-CG1 4.31Å; M18-E90 HydrophobicContact CE-CG 4.42Å; M18-C93 HydrophobicContact CE-CB 4.16Å; M18-C93 HydrophobicContact SD-CB 3.71Å; M18-F132 VanDerWaalsContact O-CE1 3.3Å; M18-F132 WeakPolarHBondContact O-CE1 3.5Å; M18-F132 WeakPolarHBondContact O-CZ 3.47Å
19T96.3Very high89.4Confident75 Ų7570.9 Ų70.946%0.4640%0.404SS..  trans-81.4153171.265.10000110.4N21 E22 I23T19-N21 PolarHBondContact O-N 2.92Å; T19-E22 WeakPolarHBondContact CB-OE2 3.37Å; T19-E22 WeakPolarHBondContact CG2-OE2 3.46Å; T19-E22 PolarHBondContact N-OE2 2.76Å; T19-E22 PolarHBondContact O-N 3.11Å; T19-E22 WeakPolarHBondContact OG1-CB 3.05Å; T19-E22 VanDerWaalsContact OG1-CD 3.26Å; T19-E22 WeakPolarHBondContact OG1-CG 3.25Å; T19-E22 PolarHBondContact OG1-N 2.87Å; T19-E22 PolarHBondContact OG1-OE2 2.86Å; T19-I23 PolarHBondContact O-N 3.2Å
20E97.5Very high91.1Very high57 Ų5766.6 Ų66.627%0.26636%0.36SS..Hα-helixtrans-57.2-35.9175.2-173176.7134.600111.4I23 R24 F132 S133 L136E20-I23 PolarHBondContact O-N 3.3Å; E20-R24 VanDerWaalsContact O-CG 3.29Å; E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 2.81Å; E20-R24 IonicContact OE1-CZ 3.24Å; E20-R24 VanDerWaalsContact OE1-CZ 3.24Å; E20-R24 IonicContact OE1-NE 2.91Å; E20-R24 PolarHBondContact OE1-NE 3.36Å; E20-R24 IonicContact OE1-NH2 2.71Å; E20-R24 PolarHBondContact OE1-NH2 3.07Å; E20-F132 HydrophobicContact CB-CD1 4.01Å; E20-S133 VanDerWaalsContact CD-OG 3.27Å; E20-S133 PolarHBondContact OE1-OG 3Å; E20-S133 WeakPolarHBondContact OE2-CB 3.24Å; E20-S133 PolarHBondContact OE2-OG 3.27Å; E20-L136 HydrophobicContact CG-CB 4.31Å; E20-L136 HydrophobicContact CG-CD1 4.01Å; E20-L136 HydrophobicContact CG-CD2 4.25Å; E20-L136 HydrophobicContact CG-CG 4.42Å
21N97.9Very high92.5Very high105 Ų10568.4 Ų68.456%0.56136%0.361SS*.Hα-helixtrans-66.1-42.1179.1-172.462.1000112.7T19 I23 R24 I25T19-N21 PolarHBondContact O-N 2.92Å; N21-I23 VanDerWaalsContact C-N 3.32Å; N21-I23 PolarHBondContact O-N 3Å; N21-R24 PolarHBondContact O-N 2.92Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 2.87Å
22E98Very high93.8Very high101 Ų10164 Ų6447%0.47235%0.35SS..Hα-helixtrans-60.3-43.1175.3-74.6163.3137.700111.4T19 I25 L26T19-E22 WeakPolarHBondContact CB-OE2 3.37Å; T19-E22 WeakPolarHBondContact CG2-OE2 3.46Å; T19-E22 PolarHBondContact N-OE2 2.76Å; T19-E22 PolarHBondContact O-N 3.11Å; T19-E22 WeakPolarHBondContact OG1-CB 3.05Å; T19-E22 VanDerWaalsContact OG1-CD 3.26Å; T19-E22 WeakPolarHBondContact OG1-CG 3.25Å; T19-E22 PolarHBondContact OG1-N 2.87Å; T19-E22 PolarHBondContact OG1-OE2 2.86Å; E22-I25 PolarHBondContact O-N 2.89Å; E22-L26 WeakPolarHBondContact O-CG 3.41Å; E22-L26 PolarHBondContact O-N 3.37Å
23I98.4Very high94.9Very high0 Ų060.2 Ų60.20%032%0.323CS..Hα-helixtrans-65.5-42178.6-58.7173.5000110.8M18 T19 E20 N21 I25 L26 C27 F132 L136 F140M18-I23 HydrophobicContact CB-CD1 4.06Å; M18-I23 HydrophobicContact CB-CG1 4.05Å; M18-I23 HydrophobicContact CE-CD1 4.32Å; M18-I23 HydrophobicContact SD-CG1 4.31Å; T19-I23 PolarHBondContact O-N 3.2Å; E20-I23 PolarHBondContact O-N 3.3Å; N21-I23 VanDerWaalsContact C-N 3.32Å; N21-I23 PolarHBondContact O-N 3Å; I23-I25 VanDerWaalsContact C-N 3.3Å; I23-I25 PolarHBondContact O-N 2.98Å; I23-L26 WeakPolarHBondContact O-CB 3.32Å; I23-L26 PolarHBondContact O-N 3.46Å; I23-L26 VanDerWaalsContact O-N 3.16Å; I23-C27 PolarHBondContact O-N 3.36Å; I23-C27 PolarHBondContact O-SG 3.05Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; I23-F132 HydrophobicContact CD1-CD2 4.07Å; I23-F132 HydrophobicContact CD1-CE1 4.07Å; I23-F132 HydrophobicContact CD1-CE2 3.41Å; I23-F132 VanDerWaalsContact CD1-CE2 3.41Å; I23-F132 HydrophobicContact CD1-CZ 3.41Å; I23-F132 VanDerWaalsContact CD1-CZ 3.41Å; I23-L136 HydrophobicContact CB-CD1 4.09Å; I23-L136 HydrophobicContact CB-CD2 4.41Å; I23-L136 HydrophobicContact CD1-CD2 4.04Å; I23-L136 HydrophobicContact CG2-CD1 3.79Å; I23-L136 HydrophobicContact CG2-CD2 4.14Å; I23-L136 HydrophobicContact CG2-CG 4.35Å; I23-F140 HydrophobicContact CG2-CE1 4.14Å; I23-F140 HydrophobicContact CG2-CE2 3.62Å; I23-F140 HydrophobicContact CG2-CZ 3.25Å
24R98.4Very high95.8Very high41 Ų4158.2 Ų58.216%0.15530%0.302CS..Hα-helixtrans-58.8-41.8174.3-73.2175.3175.6-65-14.3112.1E20 N21 L26 C27 N28 K135 L136 T139E20-R24 VanDerWaalsContact O-CG 3.29Å; E20-R24 WeakPolarHBondContact O-CG 3.34Å; E20-R24 PolarHBondContact O-N 2.81Å; E20-R24 IonicContact OE1-CZ 3.24Å; E20-R24 VanDerWaalsContact OE1-CZ 3.24Å; E20-R24 IonicContact OE1-NE 2.91Å; E20-R24 PolarHBondContact OE1-NE 3.36Å; E20-R24 IonicContact OE1-NH2 2.71Å; E20-R24 PolarHBondContact OE1-NH2 3.07Å; N21-R24 PolarHBondContact O-N 2.92Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-C27 PolarHBondContact O-N 3.4Å; R24-N28 WeakPolarHBondContact O-CB 3.31Å; R24-N28 VanDerWaalsContact O-CG 3.26Å; R24-N28 PolarHBondContact O-N 2.82Å; R24-N28 PolarHBondContact O-ND2 3.49Å; R24-K135 VanDerWaalsContact NH2-C 3.32Å; R24-K135 PolarHBondContact NH2-O 2.79Å; R24-L136 HydrophobicContact CG-CD1 3.83Å; R24-T139 HydrophobicContact CG-CG2 4.4Å; R24-T139 PolarHBondContact NH1-OG1 2.9Å
25I98.4Very high96.6Very high76 Ų7656.7 Ų56.739%0.3930%0.298SS..Hα-helixtrans-62.9-42.4176.2-69.3165.4000110.7N21 E22 I23 K29N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 2.87Å; E22-I25 PolarHBondContact O-N 2.89Å; I23-I25 VanDerWaalsContact C-N 3.3Å; I23-I25 PolarHBondContact O-N 2.98Å; I25-K29 HydrophobicContact CG2-CD 4.09Å; I25-K29 HydrophobicContact CG2-CG 4.35Å; I25-K29 WeakPolarHBondContact O-CB 3.36Å; I25-K29 WeakPolarHBondContact O-CG 3.08Å; I25-K29 PolarHBondContact O-N 3.12Å
26L98.6Very high97.2Very high29 Ų2957.2 Ų57.215%0.15231%0.305CS..Hα-helixtrans-57.5-54.8174.7-68.9174.6000110.7L3 E22 I23 R24 N28 K29 S30 C93 L96 A97 I100L3-L26 HydrophobicContact CD1-CD1 4.49Å; E22-L26 WeakPolarHBondContact O-CG 3.41Å; E22-L26 PolarHBondContact O-N 3.37Å; I23-L26 WeakPolarHBondContact O-CB 3.32Å; I23-L26 PolarHBondContact O-N 3.46Å; I23-L26 VanDerWaalsContact O-N 3.16Å; R24-L26 VanDerWaalsContact C-N 3.35Å; L26-N28 VanDerWaalsContact C-N 3.35Å; L26-N28 PolarHBondContact O-N 2.83Å; L26-K29 PolarHBondContact O-N 2.81Å; L26-S30 WeakPolarHBondContact O-CB 3.23Å; L26-S30 PolarHBondContact O-N 3.44Å; L26-S30 PolarHBondContact O-OG 3.11Å; L26-C93 HydrophobicContact CD1-CB 3.95Å; L26-L96 HydrophobicContact CB-CB 4.44Å; L26-A97 HydrophobicContact CD2-CB 3.94Å; L26-I100 HydrophobicContact CB-CD1 4.42Å; L26-I100 HydrophobicContact CD2-CD1 3.73Å; L26-I100 WeakPolarHBondContact O-CD1 3.45Å
27C98.8Very high97.6Very high1 Ų157.7 Ų57.71%0.00731%0.306CS..Hα-helixtrans-57.3-45.1-179.3-64.60000112.9I23 R24 S30 R31 T139 F140 C143I23-C27 PolarHBondContact O-N 3.36Å; I23-C27 PolarHBondContact O-SG 3.05Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; R24-C27 PolarHBondContact O-N 3.4Å; C27-S30 PolarHBondContact O-OG 2.79Å; C27-S30 VanDerWaalsContact O-OG 3.07Å; C27-R31 WeakPolarHBondContact O-CB 3.33Å; C27-R31 PolarHBondContact O-N 2.92Å; C27-T139 HydrophobicContact CB-CG2 3.78Å; C27-F140 WeakPolarHBondContact SG-CD1 3.36Å; C27-F140 WeakPolarHBondContact SG-CE1 3.45Å; C27-C143 HydrophobicContact CB-CB 4.06Å
28N98.6Very high98.1Very high81 Ų8156.8 Ų56.843%0.43329%0.292SS..Hα-helixtrans-67.2-45.3-177.7-70.4-15.9000111.8R24 L26 R31 E32R24-N28 WeakPolarHBondContact O-CB 3.31Å; R24-N28 VanDerWaalsContact O-CG 3.26Å; R24-N28 PolarHBondContact O-N 2.82Å; R24-N28 PolarHBondContact O-ND2 3.49Å; L26-N28 VanDerWaalsContact C-N 3.35Å; L26-N28 PolarHBondContact O-N 2.83Å; N28-R31 WeakPolarHBondContact O-CB 3.5Å; N28-R31 PolarHBondContact O-N 2.7Å; N28-E32 WeakPolarHBondContact O-CG 3.49Å; N28-E32 PolarHBondContact O-N 3.41Å; N28-E32 VanDerWaalsContact O-N 3.11Å
29K98.7Very high98.3Very high108 Ų10856.2 Ų56.247%0.4729%0.289SS..Hα-helixtrans-67.8-41.9178.9-73.7-167.8172.8-156.10112.6I25 L26 R31 E32 I33 I100I25-K29 HydrophobicContact CG2-CD 4.09Å; I25-K29 HydrophobicContact CG2-CG 4.35Å; I25-K29 WeakPolarHBondContact O-CB 3.36Å; I25-K29 WeakPolarHBondContact O-CG 3.08Å; I25-K29 PolarHBondContact O-N 3.12Å; L26-K29 PolarHBondContact O-N 2.81Å; K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 PolarHBondContact O-N 3.07Å; K29-E32 PolarHBondContact O-N 3.19Å; K29-I33 WeakPolarHBondContact O-CG1 3.23Å; K29-I33 PolarHBondContact O-N 2.95Å; K29-I100 HydrophobicContact CB-CD1 3.71Å; K29-I100 HydrophobicContact CB-CG1 3.98Å; K29-I100 HydrophobicContact CD-CG2 4.47Å
30S98.7Very high98.4Very high0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-65.5-38.1176.157.60000111.5L26 C27 E32 I33 F34 C143L26-S30 WeakPolarHBondContact O-CB 3.23Å; L26-S30 PolarHBondContact O-N 3.44Å; L26-S30 PolarHBondContact O-OG 3.11Å; C27-S30 PolarHBondContact O-OG 2.79Å; C27-S30 VanDerWaalsContact O-OG 3.07Å; S30-E32 PolarHBondContact O-N 3.2Å; S30-I33 PolarHBondContact O-N 2.79Å; S30-F34 WeakPolarHBondContact O-CD2 3.35Å; S30-F34 VanDerWaalsContact O-CG 3.24Å; S30-F34 WeakPolarHBondContact O-CG 3.28Å; S30-F34 PolarHBondContact O-N 3.38Å; S30-C143 PolarHBondContact OG-SG 3.49Å
31R98.6Very high98.5Very high82 Ų8250.2 Ų50.231%0.30926%0.256SS..Hα-helixtrans-58.1-44.8174.6176.7175.6177.2-91.1-1.3112.3C27 N28 K29 I33 F34 L35 C146C27-R31 WeakPolarHBondContact O-CB 3.33Å; C27-R31 PolarHBondContact O-N 2.92Å; N28-R31 WeakPolarHBondContact O-CB 3.5Å; N28-R31 PolarHBondContact O-N 2.7Å; K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 PolarHBondContact O-N 3.07Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 2.84Å; R31-F34 PolarHBondContact O-N 3.46Å; R31-L35 HydrophobicContact CG-CD1 4.15Å; R31-L35 WeakPolarHBondContact O-CG 3.46Å; R31-L35 PolarHBondContact O-N 2.83Å; R31-C146 HydrophobicContact CG-CB 4.07Å
32E98.6Very high98.5Very high128 Ų12851.4 Ų51.460%0.59826%0.259SS*.Hα-helixtrans-57.5-46.9174.8-72.4168-165.300111.3N28 K29 S30 L35 S36N28-E32 WeakPolarHBondContact O-CG 3.49Å; N28-E32 PolarHBondContact O-N 3.41Å; N28-E32 VanDerWaalsContact O-N 3.11Å; K29-E32 PolarHBondContact O-N 3.19Å; S30-E32 PolarHBondContact O-N 3.2Å; E32-L35 PolarHBondContact O-N 3.46Å; E32-S36 PolarHBondContact O-N 2.94Å; E32-S36 PolarHBondContact O-OG 3.04Å
33I98.7Very high98.5Very high30 Ų3047.2 Ų47.215%0.15424%0.239CC..Hα-helixtrans-64-43.6178.5-63.3166.2000111.5K29 S30 R31 L35 S36 Q37 K99 I100 P103K29-I33 WeakPolarHBondContact O-CG1 3.23Å; K29-I33 PolarHBondContact O-N 2.95Å; S30-I33 PolarHBondContact O-N 2.79Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 2.84Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 2.81Å; I33-S36 WeakPolarHBondContact CA-OG 3.14Å; I33-S36 PolarHBondContact O-N 2.81Å; I33-S36 PolarHBondContact O-OG 2.95Å; I33-Q37 PolarHBondContact O-N 3.47Å; I33-Q37 VanDerWaalsContact O-N 3.08Å; I33-K99 HydrophobicContact CG2-CD 4.42Å; I33-K99 HydrophobicContact CG2-CG 4.45Å; I33-I100 HydrophobicContact CD1-CB 4.27Å; I33-I100 HydrophobicContact CD1-CG1 4.01Å; I33-P103 HydrophobicContact CD1-CB 4.47Å; I33-P103 HydrophobicContact CG2-CB 3.92Å
34F98.8Very high98.5Very high1 Ų154.7 Ų54.70%0.00427%0.274CS..Hα-helixtrans-63-40.4178.9-62.6-48.9000111.7S30 R31 S36 Q37 L96 K99 L108 C146 L147 R179S30-F34 WeakPolarHBondContact O-CD2 3.35Å; S30-F34 VanDerWaalsContact O-CG 3.24Å; S30-F34 WeakPolarHBondContact O-CG 3.28Å; S30-F34 PolarHBondContact O-N 3.38Å; R31-F34 PolarHBondContact O-N 3.46Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-Q37 PolarHBondContact O-N 3.5Å; F34-L96 HydrophobicContact CE2-CD2 3.96Å; F34-L96 HydrophobicContact CZ-CD2 3.94Å; F34-K99 HydrophobicContact CD1-CG 4.47Å; F34-K99 HydrophobicContact CE1-CD 4.02Å; F34-K99 HydrophobicContact CE1-CG 3.69Å; F34-K99 HydrophobicContact CZ-CG 3.97Å; F34-L108 HydrophobicContact CE1-CB 4.27Å; F34-L108 HydrophobicContact CZ-CB 4.43Å; F34-L108 HydrophobicContact CZ-CD1 4.12Å; F34-C146 HydrophobicContact CB-CB 4.23Å; F34-C146 VanDerWaalsContact CB-O 3.23Å; F34-C146 WeakPolarHBondContact CB-O 3.44Å; F34-L147 HydrophobicContact CD1-CD2 4.18Å; F34-L147 HydrophobicContact CD2-CD2 4.11Å; F34-L147 HydrophobicContact CE1-CD2 3.67Å; F34-L147 HydrophobicContact CE2-CD2 3.62Å; F34-L147 HydrophobicContact CE2-CG 4.35Å; F34-L147 HydrophobicContact CG-CD2 4.4Å; F34-L147 HydrophobicContact CZ-CD2 3.38Å; F34-R179 VanDerWaalsContact O-CZ 3.26Å; F34-R179 PolarHBondContact O-NH1 2.88Å; F34-R179 PolarHBondContact O-NH2 2.86Å; F34-R179 VanDerWaalsContact O-NH2 3.09Å
35L98.5Very high98.5Very high66 Ų6653.5 Ų53.535%0.34627%0.273SS..Hα-helixtrans-70-28.6177.3-72.4173.8000112.8R31 E32 I33 C146 R179R31-L35 HydrophobicContact CG-CD1 4.15Å; R31-L35 WeakPolarHBondContact O-CG 3.46Å; R31-L35 PolarHBondContact O-N 2.83Å; E32-L35 PolarHBondContact O-N 3.46Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 2.81Å; L35-C146 HydrophobicContact CD2-CB 4.1Å; L35-C146 HydrophobicContact CG-CB 4.06Å; L35-R179 HydrophobicContact CD2-CB 3.68Å
36S98.4Very high98.4Very high92 Ų9252.6 Ų52.664%0.64327%0.272SS*.Hα-helixtrans-78.1-24.9175.866.70000113.6E32 I33 F34E32-S36 PolarHBondContact O-N 2.94Å; E32-S36 PolarHBondContact O-OG 3.04Å; I33-S36 WeakPolarHBondContact CA-OG 3.14Å; I33-S36 PolarHBondContact O-N 2.81Å; I33-S36 PolarHBondContact O-OG 2.95Å; F34-S36 VanDerWaalsContact C-N 3.33Å
37Q98.5Very high98.4Very high18 Ų1851.5 Ų51.58%0.08427%0.266CS..SBendtrans-91.1155.3176.4-70.2-178.6-17.900111.5I33 F34 L41 P103 E104 R179I33-Q37 PolarHBondContact O-N 3.47Å; I33-Q37 VanDerWaalsContact O-N 3.08Å; F34-Q37 PolarHBondContact O-N 3.5Å; Q37-L41 HydrophobicContact CB-CD2 4.25Å; Q37-P103 PolarHBondContact NE2-O 2.87Å; Q37-E104 PolarHBondContact NE2-OE1 3.1Å; Q37-R179 PolarHBondContact O-NH2 2.64Å
38P98.2Very high98.4Very high82 Ų8253 Ų5353%0.53227%0.273SS..  trans-57.4151.5176.6-2737.1000113.6L40 L41P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 WeakPolarHBondContact CB-O 3.25Å; P38-L41 WeakPolarHBondContact O-CD2 3.44Å
39I98Very high98.4Very high8 Ų849.2 Ų49.24%0.04125%0.252CS..SBendtrans-74.9-27.6173.6-163.4179.1000112.5P148 I149 I174 I177 R179I39-P148 WeakPolarHBondContact O-CA 3.41Å; I39-P148 VanDerWaalsContact O-CB 3.27Å; I39-P148 WeakPolarHBondContact O-CB 2.99Å; I39-I149 HydrophobicContact CD1-CD1 4.38Å; I39-I149 HydrophobicContact CD1-CG1 4.35Å; I39-I149 HydrophobicContact CD1-CG2 3.95Å; I39-I149 HydrophobicContact CG1-CG1 4.18Å; I39-I149 HydrophobicContact CG1-CG2 4.07Å; I39-I149 PolarHBondContact O-N 3.33Å; I39-I174 HydrophobicContact CG2-CG2 4.27Å; I39-I174 WeakPolarHBondContact CG2-O 3.37Å; I39-I177 HydrophobicContact CD1-CB 3.66Å; I39-I177 HydrophobicContact CD1-CG2 3.46Å; I39-I177 VanDerWaalsContact CD1-CG2 3.46Å; I39-R179 HydrophobicContact CD1-CG 3.79Å; I39-R179 HydrophobicContact CG1-CG 4.36Å
40L98.5Very high98.4Very high1 Ų144 Ų441%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-102.9102.4164.817961.2000106.8P38 A150 I152 F158 M171 I174 R175P38-L40 VanDerWaalsContact C-N 3.34Å; P38-L40 WeakPolarHBondContact CB-O 3.25Å; L40-A150 WeakPolarHBondContact CA-O 3.37Å; L40-A150 HydrophobicContact CD1-CB 3.63Å; L40-I152 HydrophobicContact CD1-CD1 4.27Å; L40-I152 HydrophobicContact CD1-CG1 4.12Å; L40-I152 HydrophobicContact CD2-CD1 4.1Å; L40-I152 HydrophobicContact CG-CD1 4.46Å; L40-F158 HydrophobicContact CD1-CE2 4.45Å; L40-M171 HydrophobicContact CD2-CB 3.87Å; L40-M171 HydrophobicContact CD2-CG 4.44Å; L40-M171 HydrophobicContact CD2-SD 4.46Å; L40-I174 HydrophobicContact CB-CG2 3.8Å; L40-I174 HydrophobicContact CD1-CG2 4.36Å; L40-R175 HydrophobicContact CB-CG 4.09Å; L40-R175 HydrophobicContact CD2-CG 4.05Å
41L98.7Very high98.4Very high5 Ų544 Ų443%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-70.9143179.9-60.1174.2000110.3Q37 P38 L43 F107 L109 P148 A150 A151 I152Q37-L41 HydrophobicContact CB-CD2 4.25Å; P38-L41 WeakPolarHBondContact O-CD2 3.44Å; L41-L43 HydrophobicContact CB-CD1 4.42Å; L41-L43 HydrophobicContact CB-CD2 4.02Å; L41-L43 HydrophobicContact CB-CG 4.05Å; L41-F107 HydrophobicContact CD1-CB 3.93Å; L41-F107 HydrophobicContact CD1-CD1 3.84Å; L41-F107 HydrophobicContact CD1-CG 4.21Å; L41-L109 HydrophobicContact CD1-CD2 3.92Å; L41-P148 HydrophobicContact CD1-CB 4.22Å; L41-P148 HydrophobicContact CD1-CG 3.83Å; L41-P148 HydrophobicContact CD2-CB 4.27Å; L41-P148 HydrophobicContact CD2-CG 4.35Å; L41-P148 HydrophobicContact CG-CB 3.93Å; L41-P148 HydrophobicContact CG-CG 4.07Å; L41-A150 PolarHBondContact N-O 2.61Å; L41-A151 HydrophobicContact CB-CB 3.83Å; L41-A151 CarbonylContact O-C 3.23Å; L41-A151 VanDerWaalsContact O-CA 3.23Å; L41-A151 WeakPolarHBondContact O-CA 3.2Å; L41-I152 PolarHBondContact O-N 3.34Å
42E98.5Very high98.4Very high130 Ų13040.3 Ų40.361%0.60722%0.216SC*.EExtended strand (participates in β ladder)trans-116114.8171.1-68.5175.2-167.200106.2I152 R175E42-I152 WeakPolarHBondContact CA-O 3.37Å; E42-R175 IonicContact OE1-CZ 3.64Å; E42-R175 IonicContact OE1-NE 2.74Å; E42-R175 IonicContact OE1-NH2 3.99Å; E42-R175 PolarHBondContact OE1-NH2 2.96Å
43L98.5Very high98.4Very high13 Ų1334.3 Ų34.37%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-125156.5-167.7-55.6-178.4000110.2L41 L47 L76 F107 A151 I152 I153 D154L41-L43 HydrophobicContact CB-CD1 4.42Å; L41-L43 HydrophobicContact CB-CD2 4.02Å; L41-L43 HydrophobicContact CB-CG 4.05Å; L43-L47 HydrophobicContact CD1-CD1 4.29Å; L43-L76 HydrophobicContact CD1-CB 4.49Å; L43-L76 HydrophobicContact CD1-CD1 4.02Å; L43-L76 HydrophobicContact CD1-CD2 4.17Å; L43-L76 HydrophobicContact CD1-CG 4.47Å; L43-F107 HydrophobicContact CD1-CB 4.35Å; L43-F107 HydrophobicContact CD1-CD2 4.01Å; L43-F107 HydrophobicContact CD1-CG 4.08Å; L43-F107 HydrophobicContact CD2-CD1 3.71Å; L43-F107 HydrophobicContact CD2-CD2 3.84Å; L43-F107 HydrophobicContact CD2-CE1 3.5Å; L43-F107 VanDerWaalsContact CD2-CE1 3.5Å; L43-F107 HydrophobicContact CD2-CE2 3.64Å; L43-F107 HydrophobicContact CD2-CG 3.88Å; L43-F107 HydrophobicContact CD2-CZ 3.45Å; L43-F107 VanDerWaalsContact CD2-CZ 3.45Å; L43-A151 HydrophobicContact CD1-CB 3.88Å; L43-A151 HydrophobicContact CG-CB 4.36Å; L43-I152 PolarHBondContact N-O 2.8Å; L43-I153 HydrophobicContact CB-CG1 4.17Å; L43-I153 CarbonylContact O-C 3.6Å; L43-I153 VanDerWaalsContact O-CA 3.3Å; L43-I153 WeakPolarHBondContact O-CA 3.36Å; L43-D154 PolarHBondContact O-N 3.1Å
44E98.1Very high98.4Very high157 Ų15733 Ų3373%0.73418%0.181SC*.  trans-118.8142.3177.7-63.5177.3177.900110
45A97.7Very high98.3Very high16 Ų1633 Ų3313%0.13218%0.182CC..SBendtrans-68.5154167.600000111.2L47 I153 D154 V271 L272 L275A45-L47 HydrophobicContact CB-CD2 4.34Å; A45-I153 HydrophobicContact CB-CG2 4.49Å; A45-D154 WeakPolarHBondContact CB-OD2 3.39Å; A45-D154 PolarHBondContact N-OD2 2.89Å; A45-V271 HydrophobicContact CB-CG1 4.01Å; A45-L272 WeakPolarHBondContact CB-O 3.47Å; A45-L275 HydrophobicContact CB-CD2 4.37Å
46P97.8Very high98.2Very high56 Ų5631.2 Ų31.236%0.36417%0.171SC..SBendcis-84.7139.97.133.5-32.5000112.9N74 V271 E273P46-N74 WeakPolarHBondContact O-CB 3.43Å; P46-N74 PolarHBondContact O-ND2 2.81Å; P46-V271 VanDerWaalsContact CA-O 3.25Å; P46-V271 WeakPolarHBondContact CA-O 3.44Å; P46-E273 HydrophobicContact CB-CG 4.49Å; P46-E273 HydrophobicContact CG-CG 4.27Å
47L97.9Very high98.1Very high7 Ų726.9 Ų26.94%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-150.6164.9170.171.8151.9000113.2L43 A45 I49 N74 L76 I153 V271L43-L47 HydrophobicContact CD1-CD1 4.29Å; A45-L47 HydrophobicContact CB-CD2 4.34Å; L47-I49 HydrophobicContact CD1-CG1 4.37Å; L47-N74 WeakPolarHBondContact CA-O 3.17Å; L47-N74 HydrophobicContact CB-CB 3.73Å; L47-L76 HydrophobicContact CD1-CB 3.58Å; L47-L76 HydrophobicContact CD1-CD2 4.44Å; L47-I153 HydrophobicContact CD1-CD1 3.93Å; L47-I153 HydrophobicContact CD1-CG1 4.32Å; L47-I153 HydrophobicContact CD2-CD1 3.97Å; L47-I153 HydrophobicContact CD2-CG1 4.09Å; L47-I153 HydrophobicContact CD2-CG2 3.61Å; L47-I153 HydrophobicContact CG-CD1 4.29Å; L47-V271 PolarHBondContact N-O 3.16Å; L47-V271 VanDerWaalsContact N-O 3.11Å; L47-V271 PolarHBondContact O-N 3.4Å
48K98.6Very high97.8Very high33 Ų3327.7 Ų27.714%0.14315%0.146CC..EExtended strand (participates in β ladder)trans-110129.4176.8-67.6176.5-179.2-76.40110.1G67 A73 N74 Y75 L76 M268 M269 S270K48-G67 WeakPolarHBondContact CD-O 3.29Å; K48-G67 WeakPolarHBondContact CE-O 3.22Å; K48-A73 HydrophobicContact CD-CB 3.81Å; K48-N74 PolarHBondContact N-O 2.92Å; K48-Y75 HydrophobicContact CB-CD1 3.84Å; K48-Y75 HydrophobicContact CB-CE1 3.8Å; K48-Y75 HydrophobicContact CB-CG 4.48Å; K48-Y75 HydrophobicContact CD-CE1 4.09Å; K48-Y75 CarbonylContact O-C 3.49Å; K48-Y75 VanDerWaalsContact O-CA 3.29Å; K48-Y75 WeakPolarHBondContact O-CA 3.5Å; K48-L76 PolarHBondContact O-N 2.95Å; K48-M268 HydrophobicContact CB-CG 4Å; K48-M268 HydrophobicContact CB-SD 3.72Å; K48-M268 HydrophobicContact CD-CE 4.46Å; K48-M268 HydrophobicContact CD-SD 3.72Å; K48-M268 HydrophobicContact CG-SD 4.09Å; K48-M269 CarbonylContact C-O 3.44Å; K48-M269 WeakPolarHBondContact CA-O 3.42Å; K48-S270 PolarHBondContact NZ-OG 3.31Å
49I98.7Very high97.6Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-107.6128.9-179.4-43.9-174.3000109.7L47 L76 L78 I153 L252 M268 M269 V271L47-I49 HydrophobicContact CD1-CG1 4.37Å; I49-L76 CarbonylContact C-O 3.49Å; I49-L76 VanDerWaalsContact CA-O 3.26Å; I49-L76 WeakPolarHBondContact CA-O 3.32Å; I49-L76 HydrophobicContact CD1-CD2 4.42Å; I49-L76 HydrophobicContact CG1-CB 4.47Å; I49-L76 HydrophobicContact CG2-CB 4.5Å; I49-L76 HydrophobicContact CG2-CD2 4.31Å; I49-L76 HydrophobicContact CG2-CG 4.42Å; I49-L78 HydrophobicContact CG2-CD1 3.79Å; I49-L78 HydrophobicContact CG2-CD2 3.78Å; I49-L78 HydrophobicContact CG2-CG 3.72Å; I49-I153 HydrophobicContact CD1-CD1 3.34Å; I49-I153 HydrophobicContact CG1-CD1 4.23Å; I49-L252 HydrophobicContact CB-CD1 3.96Å; I49-L252 HydrophobicContact CG2-CD1 3.86Å; I49-M268 WeakPolarHBondContact O-CA 3.32Å; I49-M269 HydrophobicContact CB-CB 4.46Å; I49-M269 HydrophobicContact CB-CE 4.5Å; I49-M269 HydrophobicContact CD1-CE 3.56Å; I49-M269 HydrophobicContact CG1-CE 4.28Å; I49-M269 PolarHBondContact N-O 3.2Å; I49-M269 PolarHBondContact O-N 3.22Å; I49-V271 HydrophobicContact CD1-CG2 4.02Å; I49-V271 HydrophobicContact CG1-CG2 4.33Å
50C98.8Very high97.6Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-121.6139.4178.5-62.70000110.4L76 F77 L78 S254C50-L76 PolarHBondContact N-O 2.96Å; C50-F77 HydrophobicContact CB-CD1 3.51Å; C50-F77 HydrophobicContact CB-CE1 3.57Å; C50-F77 HydrophobicContact CB-CG 4.09Å; C50-F77 HydrophobicContact CB-CZ 4.18Å; C50-F77 CarbonylContact O-C 3.59Å; C50-F77 WeakPolarHBondContact O-CA 3.44Å; C50-L78 WeakPolarHBondContact O-CG 3.12Å; C50-L78 PolarHBondContact O-N 2.95Å; C50-S254 WeakPolarHBondContact CA-OG 3.34Å
51G98.5Very high97.4Very high0 Ų025.2 Ų25.20%013%0.128CC..  trans-84.6-147.8170.400000112.4S254G51-S254 PolarHBondContact N-OG 3.04Å
52D98.6Very high97.2Very high3 Ų327.3 Ų27.32%0.01614%0.136CC..BIsolated β-bridgetrans-57.9141.2-175.3-5530000112.7H54 D80 H161 A233 H234 F253 S254 A255D52-H54 IonicContact OD2-CD2 2.79Å; D52-H54 IonicContact OD2-NE2 3.72Å; D52-D80 HydrophobicContact CB-CB 4.08Å; D52-H161 IonicContact OD1-CE1 3.21Å; D52-H161 PolarHBondContact OD1-CE1 2.89Å; D52-H161 IonicContact OD1-ND1 3.79Å; D52-H161 IonicContact OD2-CE1 2.76Å; D52-A233 WeakPolarHBondContact OD1-CB 3.4Å; D52-H234 PolarHBondContact OD1-N 2.91Å; D52-F253 HydrophobicContact CB-CD2 3.82Å; D52-F253 HydrophobicContact CB-CE2 3.48Å; D52-F253 VanDerWaalsContact CB-CE2 3.48Å; D52-F253 HydrophobicContact CB-CZ 3.91Å; D52-F253 VanDerWaalsContact CG-CE2 3.44Å; D52-F253 VanDerWaalsContact OD2-CE2 3.23Å; D52-F253 WeakPolarHBondContact OD2-CE2 3.43Å; D52-S254 CarbonylContact O-C 3.52Å; D52-S254 VanDerWaalsContact O-C 3.23Å; D52-S254 WeakPolarHBondContact O-CA 3.47Å; D52-S254 WeakPolarHBondContact O-CB 3.36Å; D52-S254 PolarHBondContact O-N 3.19Å; D52-S254 VanDerWaalsContact O-N 3.16Å; D52-A255 PolarHBondContact O-N 3.39Å
53I98.5Very high97Very high2 Ų221.3 Ų21.31%0.0111%0.108CC..  trans-118.8-34.7177.7-55.9-63.5000111.9G55 Q56 L60 L63 F77 D80 T91I53-G55 PolarHBondContact O-N 3.04Å; I53-Q56 WeakPolarHBondContact O-CB 3.37Å; I53-Q56 PolarHBondContact O-N 3.01Å; I53-L60 HydrophobicContact CD1-CD1 4.25Å; I53-L60 HydrophobicContact CG2-CB 4.04Å; I53-L63 HydrophobicContact CD1-CD1 3.65Å; I53-F77 HydrophobicContact CD1-CD1 4.28Å; I53-F77 HydrophobicContact CD1-CE1 3.95Å; I53-F77 HydrophobicContact CG1-CD1 4.01Å; I53-F77 HydrophobicContact CG1-CE1 4.04Å; I53-D80 PolarHBondContact N-O 2.81Å; I53-T91 HydrophobicContact CB-CG2 4.3Å; I53-T91 HydrophobicContact CG2-CG2 3.62Å
54H98.3Very high97Very high3 Ų320.7 Ų20.71%0.01410%0.104CC..THydrogen-bonded Turntrans4553.8173.4-80.7-59.6000114.6D52 Q56 D80 V82 D83 R84 G85 H113 Y258D52-H54 IonicContact OD2-CD2 2.79Å; D52-H54 IonicContact OD2-NE2 3.72Å; H54-Q56 PolarHBondContact O-N 3.42Å; H54-D80 IonicContact CE1-OD2 2.75Å; H54-D80 PolarHBondContact N-O 3.5Å; H54-D80 IonicContact NE2-OD2 3.59Å; H54-V82 PolarHBondContact ND1-O 2.93Å; H54-D83 CarbonylContact C-O 3.16Å; H54-D83 VanDerWaalsContact C-O 3.23Å; H54-D83 WeakPolarHBondContact CA-O 3.18Å; H54-D83 WeakPolarHBondContact CB-O 3.2Å; H54-R84 HydrophobicContact CB-CB 4.45Å; H54-G85 WeakPolarHBondContact O-CA 3.48Å; H54-G85 PolarHBondContact O-N 2.82Å; H54-H113 AromaticContact CE1-CD2 3.49Å; H54-H113 PolarHBondContact CE1-CD2 3.01Å; H54-H113 VanDerWaalsContact CE1-CD2 3.49Å; H54-H113 AromaticContact CE1-CE1 3.81Å; H54-H113 AromaticContact CE1-CG 3.68Å; H54-H113 AromaticContact CE1-ND1 3.87Å; H54-H113 AromaticContact CE1-NE2 3.6Å; H54-Y258 HydrophobicContact CB-CD2 4.45Å; H54-Y258 HydrophobicContact CB-CE2 3.71Å; H54-Y258 AromaticContact CD2-CE2 3.19Å; H54-Y258 WeakPolarHBondContact CD2-CE2 3.45Å; H54-Y258 AromaticContact CD2-CZ 3.52Å; H54-Y258 PolarHBondContact CD2-OH 3.33Å; H54-Y258 VanDerWaalsContact CD2-OH 3.25Å; H54-Y258 AromaticContact CG-CE2 3.61Å; H54-Y258 AromaticContact NE2-CE2 3.89Å; H54-Y258 AromaticContact NE2-CZ 3.71Å; H54-Y258 PolarHBondContact NE2-OH 2.94Å
55G97.4Very high96.8Very high1 Ų118.1 Ų18.11%0.019%0.092CC..THydrogen-bonded Turntrans62.515.2176.200000115.7I53 Y57 Y81 Q87I53-G55 PolarHBondContact O-N 3.04Å; G55-Y57 PolarHBondContact O-N 3.42Å; G55-Y81 PolarHBondContact N-O 3Å; G55-Q87 CarbonylContact O-C 3.59Å; G55-Q87 PolarHBondContact O-N 2.9Å; G55-Q87 VanDerWaalsContact O-N 3.11Å
56Q96Very high96.5Very high28 Ų2824.5 Ų24.513%0.13111%0.114CC..  trans-81.564.7172.4-66.4-169.1-169.400111.2I53 H54 N58 D59 L60 A255 P256I53-Q56 WeakPolarHBondContact O-CB 3.37Å; I53-Q56 PolarHBondContact O-N 3.01Å; H54-Q56 PolarHBondContact O-N 3.42Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.12Å; Q56-D59 HydrophobicContact CB-CB 4.13Å; Q56-D59 PolarHBondContact NE2-OD2 3.34Å; Q56-D59 PolarHBondContact O-N 2.91Å; Q56-L60 PolarHBondContact O-N 3Å; Q56-A255 HydrophobicContact CG-CB 4.47Å; Q56-P256 PolarHBondContact NE2-O 3.01Å
57Y95.7Very high96.4Very high2 Ų222.3 Ų22.31%0.00810%0.101CC..Hα-helixtrans-54.3-40.2-172-178-119.1000114.7L3 V7 V16 G55 D59 L60 L61 E90 T91 L94L3-Y57 PolarHBondContact O-OH 3.32Å; L3-Y57 VanDerWaalsContact O-OH 3.07Å; V7-Y57 HydrophobicContact CB-CE1 4.25Å; V7-Y57 HydrophobicContact CG1-CE1 4.33Å; V7-Y57 HydrophobicContact CG2-CE1 4.17Å; V16-Y57 HydrophobicContact CG2-CE1 4.25Å; G55-Y57 PolarHBondContact O-N 3.42Å; Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 2.93Å; Y57-L60 WeakPolarHBondContact O-CB 3.44Å; Y57-L60 PolarHBondContact O-N 3.29Å; Y57-L61 HydrophobicContact CD1-CD1 4.33Å; Y57-L61 HydrophobicContact CE1-CD1 3.82Å; Y57-L61 HydrophobicContact CE1-CG 4.35Å; Y57-L61 HydrophobicContact CE2-CD2 4.38Å; Y57-L61 HydrophobicContact CE2-CG 4.44Å; Y57-L61 WeakPolarHBondContact O-CG 3.22Å; Y57-L61 PolarHBondContact O-N 2.99Å; Y57-E90 HydrophobicContact CD1-CB 3.75Å; Y57-E90 HydrophobicContact CD1-CG 4.24Å; Y57-E90 HydrophobicContact CD2-CB 3.61Å; Y57-E90 HydrophobicContact CE1-CB 3.97Å; Y57-E90 HydrophobicContact CE1-CG 4.29Å; Y57-E90 HydrophobicContact CE2-CB 3.83Å; Y57-E90 WeakPolarHBondContact CE2-O 3.49Å; Y57-E90 HydrophobicContact CG-CB 3.56Å; Y57-T91 WeakPolarHBondContact CA-OG1 3.37Å; Y57-T91 PolarHBondContact N-OG1 3.29Å; Y57-L94 HydrophobicContact CE2-CB 3.97Å; Y57-L94 HydrophobicContact CE2-CD2 3.64Å; Y57-L94 HydrophobicContact CE2-CG 4.43Å
58N93.3Very high96.3Very high35 Ų3522.8 Ų22.819%0.18711%0.108CC..Hα-helixtrans-68.8-33.6179-57.9-72000111.8G13 Q56 L61 R62 Q87G13-N58 PolarHBondContact N-ND2 2.83Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.12Å; N58-L61 PolarHBondContact O-N 2.94Å; N58-R62 WeakPolarHBondContact O-CG 3.33Å; N58-R62 PolarHBondContact O-N 3.38Å; N58-Q87 PolarHBondContact ND2-OE1 2.76Å
59D94.3Very high96.3Very high29 Ų2922.1 Ų22.116%0.15511%0.105CC..Hα-helixtrans-73.1-34.2175-61.9-54.4000111.3Q56 Y57 L61 R62 L63 P256 L282Q56-D59 HydrophobicContact CB-CB 4.13Å; Q56-D59 PolarHBondContact NE2-OD2 3.34Å; Q56-D59 PolarHBondContact O-N 2.91Å; Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 2.93Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.22Å; D59-R62 CarbonylContact O-C 3.47Å; D59-R62 WeakPolarHBondContact O-CB 3.48Å; D59-R62 PolarHBondContact O-N 2.83Å; D59-R62 IonicContact OD1-CZ 2.87Å; D59-R62 IonicContact OD1-NH1 3.51Å; D59-R62 PolarHBondContact OD1-NH1 2.64Å; D59-L63 WeakPolarHBondContact O-CG 3.37Å; D59-L63 PolarHBondContact O-N 3.01Å; D59-P256 HydrophobicContact CB-CG 4.03Å; D59-L282 HydrophobicContact CB-CD2 4.41Å
60L96.5Very high96.2Very high1 Ų122.6 Ų22.61%0.00511%0.108CC..Hα-helixtrans-58.4-43.7168.4177.263.6000111.9I53 Q56 Y57 R62 L63 F64 F77 T91 L94 L95I53-L60 HydrophobicContact CD1-CD1 4.25Å; I53-L60 HydrophobicContact CG2-CB 4.04Å; Q56-L60 PolarHBondContact O-N 3Å; Y57-L60 WeakPolarHBondContact O-CB 3.44Å; Y57-L60 PolarHBondContact O-N 3.29Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-L63 WeakPolarHBondContact O-CB 3.26Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-F64 HydrophobicContact CD1-CD2 4.26Å; L60-F64 HydrophobicContact CD1-CE1 4.49Å; L60-F64 HydrophobicContact CD1-CE2 3.59Å; L60-F64 HydrophobicContact CD1-CZ 3.72Å; L60-F64 HydrophobicContact CD2-CE2 4.13Å; L60-F64 HydrophobicContact CG-CD2 4.18Å; L60-F64 HydrophobicContact CG-CE2 3.64Å; L60-F64 HydrophobicContact CG-CZ 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.38Å; L60-F64 PolarHBondContact O-N 2.97Å; L60-F64 VanDerWaalsContact O-N 3.14Å; L60-F77 HydrophobicContact CD1-CE1 3.66Å; L60-F77 HydrophobicContact CD1-CZ 3.77Å; L60-T91 HydrophobicContact CD2-CG2 4.08Å; L60-L94 HydrophobicContact CD2-CD2 4.22Å; L60-L95 HydrophobicContact CD1-CD2 4.17Å; L60-L95 HydrophobicContact CD2-CD2 3.95Å; L60-L95 HydrophobicContact CD2-CG 4.11Å
61L95.1Very high96.1Very high8 Ų825.8 Ų25.84%0.04213%0.129CC..Hα-helixtrans-62.9-41.3174.9-66.4179.3000111.6V7 Y57 N58 D59 F64 E65 L94V7-L61 HydrophobicContact CB-CD1 4.45Å; Y57-L61 HydrophobicContact CD1-CD1 4.33Å; Y57-L61 HydrophobicContact CE1-CD1 3.82Å; Y57-L61 HydrophobicContact CE1-CG 4.35Å; Y57-L61 HydrophobicContact CE2-CD2 4.38Å; Y57-L61 HydrophobicContact CE2-CG 4.44Å; Y57-L61 WeakPolarHBondContact O-CG 3.22Å; Y57-L61 PolarHBondContact O-N 2.99Å; N58-L61 PolarHBondContact O-N 2.94Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.22Å; L61-F64 PolarHBondContact O-N 3.41Å; L61-E65 WeakPolarHBondContact O-CG 3.36Å; L61-E65 PolarHBondContact O-N 2.87Å; L61-L94 HydrophobicContact CD2-CD2 3.75Å
62R94Very high96Very high49 Ų4933 Ų3319%0.18516%0.163CC..Hα-helixtrans-61.1-42.2173.9-69.9168.369.6-152.60.9111.4N58 D59 L60 F64 E65 Y66 L282 K283 S285N58-R62 WeakPolarHBondContact O-CG 3.33Å; N58-R62 PolarHBondContact O-N 3.38Å; D59-R62 CarbonylContact O-C 3.47Å; D59-R62 WeakPolarHBondContact O-CB 3.48Å; D59-R62 PolarHBondContact O-N 2.83Å; D59-R62 IonicContact OD1-CZ 2.87Å; D59-R62 IonicContact OD1-NH1 3.51Å; D59-R62 PolarHBondContact OD1-NH1 2.64Å; L60-R62 VanDerWaalsContact C-N 3.34Å; R62-F64 VanDerWaalsContact C-N 3.3Å; R62-F64 PolarHBondContact O-N 3.39Å; R62-E65 WeakPolarHBondContact O-CB 3.39Å; R62-E65 PolarHBondContact O-N 2.83Å; R62-E65 VanDerWaalsContact O-N 3.12Å; R62-Y66 WeakPolarHBondContact O-CD2 3.32Å; R62-Y66 PolarHBondContact O-N 3.05Å; R62-L282 HydrophobicContact CB-CD1 4.23Å; R62-L282 HydrophobicContact CB-CD2 3.94Å; R62-L282 VanDerWaalsContact NH2-CD1 3.31Å; R62-K283 PolarHBondContact NH2-O 3.3Å; R62-K283 VanDerWaalsContact NH2-O 3.11Å; R62-S285 PolarHBondContact NH1-OG 3.14Å
63L95.7Very high96Very high4 Ų433.6 Ų33.62%0.02117%0.168CC..Hα-helixtrans-56.9-44.9175.7-73.6169.3000111.4I53 D59 L60 Y66 G67 M268 L282I53-L63 HydrophobicContact CD1-CD1 3.65Å; D59-L63 WeakPolarHBondContact O-CG 3.37Å; D59-L63 PolarHBondContact O-N 3.01Å; L60-L63 WeakPolarHBondContact O-CB 3.26Å; L60-L63 PolarHBondContact O-N 3.38Å; L63-Y66 PolarHBondContact O-N 2.94Å; L63-G67 PolarHBondContact O-N 3.07Å; L63-M268 HydrophobicContact CD2-CB 4.37Å; L63-L282 HydrophobicContact CD2-CD2 4.31Å; L63-L282 HydrophobicContact CG-CD2 4.34Å
64F96.7Very high96Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-68.8-32.5175.5-65.6-45.9000113.7L60 L61 R62 Y66 G68 F69 P70 Y75 F77 L94 L95 Y98 F106L60-F64 HydrophobicContact CD1-CD2 4.26Å; L60-F64 HydrophobicContact CD1-CE1 4.49Å; L60-F64 HydrophobicContact CD1-CE2 3.59Å; L60-F64 HydrophobicContact CD1-CZ 3.72Å; L60-F64 HydrophobicContact CD2-CE2 4.13Å; L60-F64 HydrophobicContact CG-CD2 4.18Å; L60-F64 HydrophobicContact CG-CE2 3.64Å; L60-F64 HydrophobicContact CG-CZ 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.38Å; L60-F64 PolarHBondContact O-N 2.97Å; L60-F64 VanDerWaalsContact O-N 3.14Å; L61-F64 PolarHBondContact O-N 3.41Å; R62-F64 VanDerWaalsContact C-N 3.3Å; R62-F64 PolarHBondContact O-N 3.39Å; F64-Y66 VanDerWaalsContact C-N 3.32Å; F64-G68 CarbonylContact O-C 3.43Å; F64-G68 VanDerWaalsContact O-CA 3.29Å; F64-G68 WeakPolarHBondContact O-CA 3.45Å; F64-G68 PolarHBondContact O-N 2.92Å; F64-F69 HydrophobicContact CB-CD1 3.47Å; F64-F69 VanDerWaalsContact CB-CD1 3.47Å; F64-F69 HydrophobicContact CB-CD2 4.25Å; F64-F69 HydrophobicContact CB-CE1 3.23Å; F64-F69 HydrophobicContact CB-CE2 4.04Å; F64-F69 HydrophobicContact CB-CG 3.98Å; F64-F69 HydrophobicContact CB-CZ 3.52Å; F64-F69 HydrophobicContact CD2-CD1 4.3Å; F64-F69 HydrophobicContact CD2-CE1 4.02Å; F64-F69 HydrophobicContact CG-CD1 4.06Å; F64-F69 AromaticContact CG-CE1 3.99Å; F64-F69 HydrophobicContact CG-CE1 3.99Å; F64-P70 HydrophobicContact CD1-CG 4.48Å; F64-P70 HydrophobicContact CE1-CG 4.18Å; F64-Y75 HydrophobicContact CD1-CE1 4.02Å; F64-Y75 HydrophobicContact CD1-CE2 4.04Å; F64-Y75 AromaticContact CD1-CZ 3.69Å; F64-Y75 HydrophobicContact CE1-CD1 4.21Å; F64-Y75 HydrophobicContact CE1-CD2 4.32Å; F64-Y75 HydrophobicContact CE1-CE1 4.02Å; F64-Y75 HydrophobicContact CE1-CE2 4.15Å; F64-Y75 HydrophobicContact CE1-CG 4.36Å; F64-F77 HydrophobicContact CE1-CE2 4.16Å; F64-F77 AromaticContact CE1-CZ 3.83Å; F64-F77 HydrophobicContact CE1-CZ 3.83Å; F64-F77 HydrophobicContact CZ-CE2 4.23Å; F64-F77 AromaticContact CZ-CZ 3.81Å; F64-F77 HydrophobicContact CZ-CZ 3.81Å; F64-L94 HydrophobicContact CD2-CD2 4.43Å; F64-L94 HydrophobicContact CE2-CD2 4Å; F64-L95 HydrophobicContact CZ-CD2 4.27Å; F64-Y98 HydrophobicContact CD2-CE2 4.35Å; F64-Y98 HydrophobicContact CE2-CD2 4.25Å; F64-Y98 AromaticContact CE2-CE2 3.87Å; F64-Y98 HydrophobicContact CE2-CE2 3.87Å; F64-Y98 HydrophobicContact CZ-CD2 4.22Å; F64-Y98 HydrophobicContact CZ-CE2 4.21Å; F64-F106 AromaticContact CE1-CE2 3.95Å; F64-F106 HydrophobicContact CE1-CE2 3.95Å; F64-F106 HydrophobicContact CE1-CZ 4.39Å; F64-F106 AromaticContact CZ-CE2 3.96Å; F64-F106 HydrophobicContact CZ-CE2 3.96Å; F64-F106 AromaticContact CZ-CZ 4Å; F64-F106 HydrophobicContact CZ-CZ 4Å
65E94.4Very high96Very high103 Ų10335.1 Ų35.148%0.48118%0.177SC..Hα-helixtrans-63.9-37.5172.8-72.7169.9177.200112L61 R62 F69L61-E65 WeakPolarHBondContact O-CG 3.36Å; L61-E65 PolarHBondContact O-N 2.87Å; R62-E65 WeakPolarHBondContact O-CB 3.39Å; R62-E65 PolarHBondContact O-N 2.83Å; R62-E65 VanDerWaalsContact O-N 3.12Å; E65-F69 HydrophobicContact CB-CE2 4.3Å; E65-F69 HydrophobicContact CG-CE2 3.65Å; E65-F69 HydrophobicContact CG-CZ 3.74Å
66Y92.5Very high96Very high151 Ų15135.1 Ų35.159%0.59218%0.176SC*.Hα-helixtrans-81.7-32.2177.8-86.2-95.8000113.7R62 L63 F64 Q280 L282R62-Y66 WeakPolarHBondContact O-CD2 3.32Å; R62-Y66 PolarHBondContact O-N 3.05Å; L63-Y66 PolarHBondContact O-N 2.94Å; F64-Y66 VanDerWaalsContact C-N 3.32Å; Y66-Q280 PolarHBondContact O-NE2 3.45Å; Y66-Q280 VanDerWaalsContact O-NE2 3.13Å; Y66-L282 HydrophobicContact CD2-CD1 4.09Å; Y66-L282 HydrophobicContact CE2-CD1 3.9Å
67G95.2Very high96.2Very high9 Ų933.8 Ų33.89%0.09317%0.17CC..Hα-helixtrans-95.5-11.5-17700000115K48 L63 A73 Y75K48-G67 WeakPolarHBondContact CD-O 3.29Å; K48-G67 WeakPolarHBondContact CE-O 3.22Å; L63-G67 PolarHBondContact O-N 3.07Å; G67-A73 WeakPolarHBondContact O-CB 3.41Å; G67-Y75 WeakPolarHBondContact CA-OH 3.36Å; G67-Y75 PolarHBondContact O-OH 3.21Å
68G96.6Very high96.3Very high17 Ų1733.7 Ų33.718%0.17517%0.169CC..  trans88.8136.1-168.400000111.2F64 E72 Y75F64-G68 CarbonylContact O-C 3.43Å; F64-G68 VanDerWaalsContact O-CA 3.29Å; F64-G68 WeakPolarHBondContact O-CA 3.45Å; F64-G68 PolarHBondContact O-N 2.92Å; G68-E72 WeakPolarHBondContact CA-OE2 3.45Å; G68-Y75 VanDerWaalsContact O-CE2 3.32Å; G68-Y75 WeakPolarHBondContact O-CE2 3.49Å; G68-Y75 PolarHBondContact O-OH 3.43Å
69F97.1Very high96.6Very high20 Ų2032 Ų329%0.08816%0.161CC..  trans-77.6143.7-178.1-80.2-88.9000110.5F64 E65 E72 Y98F64-F69 HydrophobicContact CB-CD1 3.47Å; F64-F69 VanDerWaalsContact CB-CD1 3.47Å; F64-F69 HydrophobicContact CB-CD2 4.25Å; F64-F69 HydrophobicContact CB-CE1 3.23Å; F64-F69 HydrophobicContact CB-CE2 4.04Å; F64-F69 HydrophobicContact CB-CG 3.98Å; F64-F69 HydrophobicContact CB-CZ 3.52Å; F64-F69 HydrophobicContact CD2-CD1 4.3Å; F64-F69 HydrophobicContact CD2-CE1 4.02Å; F64-F69 HydrophobicContact CG-CD1 4.06Å; F64-F69 AromaticContact CG-CE1 3.99Å; F64-F69 HydrophobicContact CG-CE1 3.99Å; E65-F69 HydrophobicContact CB-CE2 4.3Å; E65-F69 HydrophobicContact CG-CE2 3.65Å; E65-F69 HydrophobicContact CG-CZ 3.74Å; F69-E72 PolarHBondContact N-OE2 2.77Å; F69-E72 WeakPolarHBondContact O-CA 3.14Å; F69-E72 WeakPolarHBondContact O-CB 3.48Å; F69-E72 VanDerWaalsContact O-CG 3.29Å; F69-E72 WeakPolarHBondContact O-CG 3.2Å; F69-E72 PolarHBondContact O-N 3.2Å; F69-Y98 WeakPolarHBondContact CD1-OH 3.3Å
70P97.3Very high96.8Very high9 Ų930.7 Ų30.76%0.05815%0.154CC..THydrogen-bonded Turntrans-54.5129.1173.7-25.433.2000111.5F64 Y75 Y98 Y102 F106F64-P70 HydrophobicContact CD1-CG 4.48Å; F64-P70 HydrophobicContact CE1-CG 4.18Å; P70-Y75 HydrophobicContact CG-CD2 3.96Å; P70-Y75 HydrophobicContact CG-CE2 4.1Å; P70-Y98 HydrophobicContact CB-CD1 3.73Å; P70-Y98 HydrophobicContact CB-CE1 3.91Å; P70-Y98 HydrophobicContact CB-CG 4.22Å; P70-Y98 HydrophobicContact CG-CD1 3.95Å; P70-Y98 HydrophobicContact CG-CD2 4.16Å; P70-Y98 HydrophobicContact CG-CE1 4.06Å; P70-Y98 HydrophobicContact CG-CE2 4.26Å; P70-Y98 HydrophobicContact CG-CG 4.02Å; P70-Y102 HydrophobicContact CB-CD2 3.72Å; P70-Y102 HydrophobicContact CB-CE2 3.89Å; P70-Y102 VanDerWaalsContact O-CE2 3.28Å; P70-Y102 WeakPolarHBondContact O-CE2 3.29Å; P70-F106 HydrophobicContact CB-CD2 4.12Å; P70-F106 HydrophobicContact CG-CD2 3.6Å; P70-F106 HydrophobicContact CG-CE2 3.59Å
71P96.6Very high96.9Very high67 Ų6730.7 Ų30.744%0.43515%0.153SC..THydrogen-bonded Turncis-103.91815.339.6-26.4000113.9A73 Y102P71-A73 PolarHBondContact O-N 2.82Å; P71-Y102 HydrophobicContact CB-CD1 3.85Å; P71-Y102 HydrophobicContact CB-CE1 3.7Å; P71-Y102 HydrophobicContact CB-CE2 4.41Å; P71-Y102 HydrophobicContact CB-CG 4.25Å; P71-Y102 VanDerWaalsContact CD-OH 3.32Å; P71-Y102 WeakPolarHBondContact CD-OH 3.49Å; P71-Y102 HydrophobicContact CG-CD1 4.27Å; P71-Y102 HydrophobicContact CG-CE1 3.61Å
72E96.9Very high97Very high151 Ų15130.3 Ų30.371%0.70615%0.151SC*.SBendtrans-59.5-26178.2-60.6167.3178.900112.3G68 F69G68-E72 WeakPolarHBondContact CA-OE2 3.45Å; F69-E72 PolarHBondContact N-OE2 2.77Å; F69-E72 WeakPolarHBondContact O-CA 3.14Å; F69-E72 WeakPolarHBondContact O-CB 3.48Å; F69-E72 VanDerWaalsContact O-CG 3.29Å; F69-E72 WeakPolarHBondContact O-CG 3.2Å; F69-E72 PolarHBondContact O-N 3.2Å
73A97.1Very high97.2Very high16 Ų1628 Ų2813%0.13214%0.143CC..SBendtrans-138.9148.8169.300000110.6K48 G67 P71 Y75K48-A73 HydrophobicContact CD-CB 3.81Å; G67-A73 WeakPolarHBondContact O-CB 3.41Å; P71-A73 PolarHBondContact O-N 2.82Å; A73-Y75 HydrophobicContact CB-CD2 4.46Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-Y75 VanDerWaalsContact O-CD2 3.27Å; A73-Y75 WeakPolarHBondContact O-CD2 3.48Å
74N98.4Very high97.2Very high38 Ų3832.6 Ų32.620%0.20316%0.16CC..  trans-78.4144.6169.6-59.7-32000109.8P46 L47 K48 N105P46-N74 WeakPolarHBondContact O-CB 3.43Å; P46-N74 PolarHBondContact O-ND2 2.81Å; L47-N74 WeakPolarHBondContact CA-O 3.17Å; L47-N74 HydrophobicContact CB-CB 3.73Å; K48-N74 PolarHBondContact N-O 2.92Å; N74-N105 CarbonylContact C-O 3.19Å; N74-N105 WeakPolarHBondContact CA-O 3.26Å; N74-N105 VanDerWaalsContact OD1-CB 3.26Å; N74-N105 WeakPolarHBondContact OD1-CB 3.27Å; N74-N105 PolarHBondContact OD1-ND2 2.88Å
75Y98.8Very high97.1Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-131.5140.4-178.4-75.8-92.5000112.9K48 F64 G67 G68 P70 A73 F77 N105 F106 F107 M268K48-Y75 HydrophobicContact CB-CD1 3.84Å; K48-Y75 HydrophobicContact CB-CE1 3.8Å; K48-Y75 HydrophobicContact CB-CG 4.48Å; K48-Y75 HydrophobicContact CD-CE1 4.09Å; K48-Y75 CarbonylContact O-C 3.49Å; K48-Y75 VanDerWaalsContact O-CA 3.29Å; K48-Y75 WeakPolarHBondContact O-CA 3.5Å; F64-Y75 HydrophobicContact CD1-CE1 4.02Å; F64-Y75 HydrophobicContact CD1-CE2 4.04Å; F64-Y75 AromaticContact CD1-CZ 3.69Å; F64-Y75 HydrophobicContact CE1-CD1 4.21Å; F64-Y75 HydrophobicContact CE1-CD2 4.32Å; F64-Y75 HydrophobicContact CE1-CE1 4.02Å; F64-Y75 HydrophobicContact CE1-CE2 4.15Å; F64-Y75 HydrophobicContact CE1-CG 4.36Å; G67-Y75 WeakPolarHBondContact CA-OH 3.36Å; G67-Y75 PolarHBondContact O-OH 3.21Å; G68-Y75 VanDerWaalsContact O-CE2 3.32Å; G68-Y75 WeakPolarHBondContact O-CE2 3.49Å; G68-Y75 PolarHBondContact O-OH 3.43Å; P70-Y75 HydrophobicContact CG-CD2 3.96Å; P70-Y75 HydrophobicContact CG-CE2 4.1Å; A73-Y75 HydrophobicContact CB-CD2 4.46Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-Y75 VanDerWaalsContact O-CD2 3.27Å; A73-Y75 WeakPolarHBondContact O-CD2 3.48Å; Y75-F77 AromaticContact CD1-CE2 3.91Å; Y75-F77 HydrophobicContact CD1-CE2 3.91Å; Y75-F77 HydrophobicContact CD1-CZ 4.24Å; Y75-F77 HydrophobicContact CG-CE2 4.11Å; Y75-N105 PolarHBondContact N-O 2.81Å; Y75-F106 HydrophobicContact CD2-CD2 4.24Å; Y75-F106 HydrophobicContact CD2-CE2 4.18Å; Y75-F106 HydrophobicContact CG-CD2 4.32Å; Y75-F106 HydrophobicContact CG-CE2 4.08Å; Y75-F107 WeakPolarHBondContact O-CD2 3.12Å; Y75-F107 PolarHBondContact O-N 3.13Å; Y75-M268 HydrophobicContact CE1-SD 3.68Å
76L98.8Very high97Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-120.5121.3162.9175.865.7000108.6L43 L47 K48 I49 C50 L78 F107 L109 A151 I153 C159L43-L76 HydrophobicContact CD1-CB 4.49Å; L43-L76 HydrophobicContact CD1-CD1 4.02Å; L43-L76 HydrophobicContact CD1-CD2 4.17Å; L43-L76 HydrophobicContact CD1-CG 4.47Å; L47-L76 HydrophobicContact CD1-CB 3.58Å; L47-L76 HydrophobicContact CD1-CD2 4.44Å; K48-L76 PolarHBondContact O-N 2.95Å; I49-L76 CarbonylContact C-O 3.49Å; I49-L76 VanDerWaalsContact CA-O 3.26Å; I49-L76 WeakPolarHBondContact CA-O 3.32Å; I49-L76 HydrophobicContact CD1-CD2 4.42Å; I49-L76 HydrophobicContact CG1-CB 4.47Å; I49-L76 HydrophobicContact CG2-CB 4.5Å; I49-L76 HydrophobicContact CG2-CD2 4.31Å; I49-L76 HydrophobicContact CG2-CG 4.42Å; C50-L76 PolarHBondContact N-O 2.96Å; L76-L78 HydrophobicContact CD2-CD2 4.23Å; L76-L78 HydrophobicContact CG-CD2 4.36Å; L76-F107 WeakPolarHBondContact CA-O 3.4Å; L76-F107 HydrophobicContact CD1-CB 3.7Å; L76-L109 HydrophobicContact CD1-CD1 4.23Å; L76-L109 HydrophobicContact CD1-CD2 4.07Å; L76-L109 HydrophobicContact CD1-CG 3.78Å; L76-A151 HydrophobicContact CD1-CB 4.25Å; L76-A151 HydrophobicContact CD2-CB 3.97Å; L76-I153 HydrophobicContact CD2-CD1 4.17Å; L76-C159 HydrophobicContact CD2-CB 3.8Å
77F98.9Very high97.1Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-102.1139.9168.7-68-108.2000110.6C50 I53 L60 F64 Y75 Y81 L95 F106 F107 L108 L109C50-F77 HydrophobicContact CB-CD1 3.51Å; C50-F77 HydrophobicContact CB-CE1 3.57Å; C50-F77 HydrophobicContact CB-CG 4.09Å; C50-F77 HydrophobicContact CB-CZ 4.18Å; C50-F77 CarbonylContact O-C 3.59Å; C50-F77 WeakPolarHBondContact O-CA 3.44Å; I53-F77 HydrophobicContact CD1-CD1 4.28Å; I53-F77 HydrophobicContact CD1-CE1 3.95Å; I53-F77 HydrophobicContact CG1-CD1 4.01Å; I53-F77 HydrophobicContact CG1-CE1 4.04Å; L60-F77 HydrophobicContact CD1-CE1 3.66Å; L60-F77 HydrophobicContact CD1-CZ 3.77Å; F64-F77 HydrophobicContact CE1-CE2 4.16Å; F64-F77 AromaticContact CE1-CZ 3.83Å; F64-F77 HydrophobicContact CE1-CZ 3.83Å; F64-F77 HydrophobicContact CZ-CE2 4.23Å; F64-F77 AromaticContact CZ-CZ 3.81Å; F64-F77 HydrophobicContact CZ-CZ 3.81Å; Y75-F77 AromaticContact CD1-CE2 3.91Å; Y75-F77 HydrophobicContact CD1-CE2 3.91Å; Y75-F77 HydrophobicContact CD1-CZ 4.24Å; Y75-F77 HydrophobicContact CG-CE2 4.11Å; F77-Y81 HydrophobicContact CB-CE1 3.68Å; F77-Y81 HydrophobicContact CG-CE1 4.43Å; F77-Y81 PolarHBondContact O-OH 3.36Å; F77-L95 HydrophobicContact CD1-CD2 4.44Å; F77-L95 HydrophobicContact CD2-CD2 4.32Å; F77-L95 HydrophobicContact CE1-CD2 4.14Å; F77-L95 HydrophobicContact CE2-CD2 4.02Å; F77-L95 HydrophobicContact CZ-CD2 3.93Å; F77-F106 HydrophobicContact CD2-CE1 4.42Å; F77-F106 HydrophobicContact CD2-CE2 4.48Å; F77-F106 AromaticContact CD2-CZ 3.96Å; F77-F106 HydrophobicContact CD2-CZ 3.96Å; F77-F106 HydrophobicContact CE2-CE1 4.34Å; F77-F106 AromaticContact CE2-CE2 3.78Å; F77-F106 HydrophobicContact CE2-CE2 3.78Å; F77-F106 AromaticContact CE2-CZ 3.46Å; F77-F106 HydrophobicContact CE2-CZ 3.46Å; F77-F106 VanDerWaalsContact CE2-CZ 3.46Å; F77-F106 HydrophobicContact CZ-CZ 4.33Å; F77-F107 PolarHBondContact N-O 3.42Å; F77-L108 HydrophobicContact CB-CD2 3.79Å; F77-L108 HydrophobicContact CD2-CD2 3.87Å; F77-L108 HydrophobicContact CG-CD2 4.01Å; F77-L109 WeakPolarHBondContact O-CB 3.39Å; F77-L109 PolarHBondContact O-N 2.95Å
78L98.8Very high97.3Very high0 Ų030.4 Ų30.40%016%0.156CC..  trans-88.5-12.7-170.8-61.6176.9000114.3I49 C50 L76 L109 C159 H161 A233 L252I49-L78 HydrophobicContact CG2-CD1 3.79Å; I49-L78 HydrophobicContact CG2-CD2 3.78Å; I49-L78 HydrophobicContact CG2-CG 3.72Å; C50-L78 WeakPolarHBondContact O-CG 3.12Å; C50-L78 PolarHBondContact O-N 2.95Å; L76-L78 HydrophobicContact CD2-CD2 4.23Å; L76-L78 HydrophobicContact CG-CD2 4.36Å; L78-L109 HydrophobicContact CD2-CD1 3.89Å; L78-C159 HydrophobicContact CD2-CB 3.86Å; L78-H161 WeakPolarHBondContact O-CA 3.49Å; L78-H161 VanDerWaalsContact O-CB 3.24Å; L78-H161 WeakPolarHBondContact O-CB 3.32Å; L78-H161 PolarHBondContact O-ND1 3.37Å; L78-A233 HydrophobicContact CB-CB 3.71Å; L78-A233 HydrophobicContact CD1-CB 3.89Å; L78-A233 HydrophobicContact CG-CB 4.45Å; L78-L252 HydrophobicContact CD1-CB 4.43Å; L78-L252 HydrophobicContact CD1-CD1 4.27Å
79G98.4Very high97.4Very high0 Ų029.6 Ų29.60%015%0.148CC..SBendtrans135.8-172.9178.900000113
80D98.4Very high97.4Very high2 Ų228.8 Ų28.81%0.01114%0.144CC..  trans54.962.9175.2-72.92.9000112.8D52 I53 H54 G111 N112 H113 E114 H161D52-D80 HydrophobicContact CB-CB 4.08Å; I53-D80 PolarHBondContact N-O 2.81Å; H54-D80 IonicContact CE1-OD2 2.75Å; H54-D80 PolarHBondContact N-O 3.5Å; H54-D80 IonicContact NE2-OD2 3.59Å; D80-G111 WeakPolarHBondContact OD1-CA 3.2Å; D80-N112 PolarHBondContact OD1-N 3.4Å; D80-N112 PolarHBondContact OD1-OD1 2.93Å; D80-N112 PolarHBondContact OD2-OD1 2.96Å; D80-H113 HydrophobicContact CB-CB 4.45Å; D80-H113 VanDerWaalsContact CG-CD2 3.45Å; D80-H113 WeakPolarHBondContact OD1-CB 3.31Å; D80-H113 IonicContact OD1-CD2 3.8Å; D80-H113 PolarHBondContact OD1-CD2 3.43Å; D80-H113 IonicContact OD1-CG 3.86Å; D80-H113 PolarHBondContact OD1-N 3.36Å; D80-H113 IonicContact OD2-CD2 3.81Å; D80-H113 PolarHBondContact OD2-CD2 3.21Å; D80-H113 VanDerWaalsContact OD2-CD2 3.24Å; D80-E114 PolarHBondContact N-OE2 3Å; D80-H161 IonicContact OD1-CD2 3.32Å; D80-H161 IonicContact OD1-CE1 3.34Å; D80-H161 IonicContact OD1-NE2 3.91Å; D80-H161 PolarHBondContact OD1-NE2 2.84Å; D80-H161 IonicContact OD2-CD2 2.72Å; D80-H161 IonicContact OD2-CE1 3.89Å; D80-H161 PolarHBondContact OD2-CE1 2.87Å; D80-H161 IonicContact OD2-NE2 2.82Å; D80-H161 PolarHBondContact OD2-NE2 2.93Å
81Y98.8Very high97.4Very high0 Ų028.4 Ų28.40%014%0.142CC..  trans-82.8-33.4-179.6-47.9-53.9000112.3G55 F77 T91 I92 L95 L108 L109 E114 L147G55-Y81 PolarHBondContact N-O 3Å; F77-Y81 HydrophobicContact CB-CE1 3.68Å; F77-Y81 HydrophobicContact CG-CE1 4.43Å; F77-Y81 PolarHBondContact O-OH 3.36Å; Y81-T91 VanDerWaalsContact O-CG2 3.3Å; Y81-T91 WeakPolarHBondContact O-CG2 3.43Å; Y81-I92 HydrophobicContact CD2-CD1 3.79Å; Y81-I92 HydrophobicContact CG-CD1 4.06Å; Y81-L95 HydrophobicContact CD1-CD1 3.39Å; Y81-L95 HydrophobicContact CE1-CD1 3.99Å; Y81-L95 HydrophobicContact CG-CD1 3.81Å; Y81-L108 HydrophobicContact CE1-CD2 4.08Å; Y81-L108 WeakPolarHBondContact OH-CA 3.26Å; Y81-L108 WeakPolarHBondContact OH-CB 3.33Å; Y81-L109 WeakPolarHBondContact CE2-O 3.39Å; Y81-L109 VanDerWaalsContact CZ-O 3.28Å; Y81-L109 PolarHBondContact OH-N 3.27Å; Y81-L109 VanDerWaalsContact OH-N 3.11Å; Y81-L109 PolarHBondContact OH-O 3.12Å; Y81-E114 HydrophobicContact CD2-CG 3.65Å; Y81-E114 VanDerWaalsContact CD2-OE1 3.3Å; Y81-E114 WeakPolarHBondContact CD2-OE1 3.35Å; Y81-E114 HydrophobicContact CE2-CG 3.98Å; Y81-E114 PolarHBondContact N-OE1 3.21Å; Y81-L147 HydrophobicContact CE2-CD1 4.19Å
82V98.6Very high97.5Very high0 Ų025.3 Ų25.30%012%0.121CC..SBendtrans-111.6179-171.1-57.90000111.7H54 I92 H113 N119 F124 F144H54-V82 PolarHBondContact ND1-O 2.93Å; V82-I92 HydrophobicContact CG1-CB 4.08Å; V82-I92 HydrophobicContact CG1-CG2 4.32Å; V82-H113 HydrophobicContact CG2-CB 4.37Å; V82-N119 HydrophobicContact CG2-CB 4.2Å; V82-F124 HydrophobicContact CB-CB 4.02Å; V82-F124 HydrophobicContact CB-CD1 4.27Å; V82-F124 HydrophobicContact CB-CD2 3.88Å; V82-F124 HydrophobicContact CB-CE2 4.39Å; V82-F124 HydrophobicContact CB-CG 3.8Å; V82-F124 HydrophobicContact CG1-CD1 4.27Å; V82-F124 HydrophobicContact CG1-CD2 3.83Å; V82-F124 HydrophobicContact CG1-CE1 4.27Å; V82-F124 HydrophobicContact CG1-CE2 3.82Å; V82-F124 HydrophobicContact CG1-CG 4.06Å; V82-F124 HydrophobicContact CG1-CZ 4.04Å; V82-F124 HydrophobicContact CG2-CB 4.1Å; V82-F124 HydrophobicContact CG2-CD1 4.13Å; V82-F124 HydrophobicContact CG2-CG 4.04Å; V82-F144 HydrophobicContact CG1-CZ 4.04Å; V82-F144 HydrophobicContact CG2-CE2 4.37Å
83D98.2Very high97.6Very high0 Ų018.1 Ų18.10%09%0.088CC..SBendtrans67.9163.4-177.3-64.9-34.8000114.9H54 G85 S88 H113 N119 Y122 G123 F124H54-D83 CarbonylContact C-O 3.16Å; H54-D83 VanDerWaalsContact C-O 3.23Å; H54-D83 WeakPolarHBondContact CA-O 3.18Å; H54-D83 WeakPolarHBondContact CB-O 3.2Å; D83-G85 PolarHBondContact O-N 2.86Å; D83-S88 PolarHBondContact N-OG 2.86Å; D83-S88 VanDerWaalsContact N-OG 3.15Å; D83-H113 WeakPolarHBondContact CB-ND1 3.5Å; D83-H113 IonicContact OD2-CE1 3.62Å; D83-H113 IonicContact OD2-CG 3.74Å; D83-H113 IonicContact OD2-ND1 3.24Å; D83-H113 PolarHBondContact OD2-ND1 3.02Å; D83-N119 WeakPolarHBondContact OD1-CA 3.33Å; D83-N119 WeakPolarHBondContact OD1-CB 3.23Å; D83-N119 WeakPolarHBondContact OD2-CA 3.41Å; D83-N119 WeakPolarHBondContact OD2-CB 3.35Å; D83-Y122 WeakPolarHBondContact CB-O 3.24Å; D83-Y122 VanDerWaalsContact OD1-C 3.28Å; D83-G123 PolarHBondContact OD1-N 3.03Å; D83-F124 WeakPolarHBondContact OD1-CB 3.37Å; D83-F124 PolarHBondContact OD1-N 3.04Å
84R95.2Very high97.7Very high102 Ų10217.6 Ų17.639%0.3858%0.083SC..SBendtrans65.5-50175.2-52.3-71.9-172.683.3-6.6114.8H54 Y122 Y258H54-R84 HydrophobicContact CB-CB 4.45Å; R84-Y122 PolarHBondContact N-O 3.18Å; R84-Y122 VanDerWaalsContact NE-CD1 3.25Å; R84-Y258 HydrophobicContact CB-CE2 4.31Å; R84-Y258 WeakPolarHBondContact CG-OH 3.36Å; R84-Y258 PolarHBondContact NH1-OH 3.42Å
85G93.3Very high97.7Very high24 Ų2415.8 Ų15.825%0.2477%0.073CC..SBendtrans-76.317817500000114.1H54 D83H54-G85 WeakPolarHBondContact O-CA 3.48Å; H54-G85 PolarHBondContact O-N 2.82Å; D83-G85 PolarHBondContact O-N 2.86Å
86K92.2Very high97.7Very high186 Ų18615.9 Ų15.981%0.8097%0.074SC*.SBendtrans-95.2-14.3-167.3-63.7178.8-179.4175.20114.6
87Q96.3Very high97.7Very high7 Ų717.2 Ų17.23%0.0339%0.085CC..  trans-136.847.6-169.6-59.8-167.1-101.200110.9G13 K14 G55 N58 L89 E90 T91G13-Q87 VanDerWaalsContact CA-OE1 3.27Å; K14-Q87 PolarHBondContact O-NE2 2.76Å; G55-Q87 CarbonylContact O-C 3.59Å; G55-Q87 PolarHBondContact O-N 2.9Å; G55-Q87 VanDerWaalsContact O-N 3.11Å; N58-Q87 PolarHBondContact ND2-OE1 2.76Å; Q87-L89 VanDerWaalsContact C-N 3.27Å; Q87-L89 PolarHBondContact O-N 3.02Å; Q87-E90 HydrophobicContact CB-CB 4.35Å; Q87-E90 PolarHBondContact O-N 3.16Å; Q87-T91 PolarHBondContact O-N 2.76Å; Q87-T91 PolarHBondContact O-OG1 3.25Å
88S98.2Very high97.7Very high0 Ų018.3 Ų18.30%09%0.089CC..Hα-helixtrans-62.2-37.7-178.8-57.60000111.3D83 T91 I92 E127D83-S88 PolarHBondContact N-OG 2.86Å; D83-S88 VanDerWaalsContact N-OG 3.15Å; S88-T91 PolarHBondContact O-N 2.92Å; S88-I92 VanDerWaalsContact O-CG2 3.27Å; S88-I92 WeakPolarHBondContact O-CG2 3.35Å; S88-I92 PolarHBondContact O-N 3.48Å; S88-E127 WeakPolarHBondContact CA-OE2 3.4Å; S88-E127 WeakPolarHBondContact CB-OE2 3.46Å; S88-E127 PolarHBondContact N-OE2 2.72Å; S88-E127 PolarHBondContact OG-OE2 3.11Å
89L98.1Very high97.6Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-61.1-48177.4-79.7161.3000112.1Q87 C93 F124 E127 R131 F132 F140Q87-L89 VanDerWaalsContact C-N 3.27Å; Q87-L89 PolarHBondContact O-N 3.02Å; L89-C93 WeakPolarHBondContact O-CB 3.38Å; L89-C93 PolarHBondContact O-N 2.82Å; L89-C93 PolarHBondContact O-SG 3.45Å; L89-F124 HydrophobicContact CD2-CE2 4.12Å; L89-F124 HydrophobicContact CG-CE2 4.19Å; L89-E127 WeakPolarHBondContact CB-OE1 3.04Å; L89-E127 HydrophobicContact CD1-CG 3.95Å; L89-E127 WeakPolarHBondContact CD1-OE1 2.9Å; L89-E127 HydrophobicContact CG-CG 4.5Å; L89-E127 PolarHBondContact N-OE1 3.07Å; L89-R131 HydrophobicContact CD1-CB 4.12Å; L89-R131 HydrophobicContact CD1-CG 4.47Å; L89-F132 HydrophobicContact CD1-CD2 3.89Å; L89-F132 HydrophobicContact CD1-CE2 3.85Å; L89-F132 HydrophobicContact CD2-CD2 4.38Å; L89-F132 HydrophobicContact CD2-CE2 4.38Å; L89-F140 HydrophobicContact CD2-CE2 3.58Å; L89-F140 HydrophobicContact CD2-CZ 3.86Å
90E97.9Very high97.7Very high3 Ų320.6 Ų20.61%0.01410%0.101CC..Hα-helixtrans-62.8-43.9176.3-74.778.8-178.200112.3T15 V16 M18 Y57 Q87 L94 R131T15-E90 VanDerWaalsContact CA-OE1 3.23Å; T15-E90 WeakPolarHBondContact CA-OE1 3.45Å; T15-E90 WeakPolarHBondContact CB-OE1 3.36Å; V16-E90 HydrophobicContact CB-CG 3.94Å; V16-E90 HydrophobicContact CG2-CG 3.68Å; V16-E90 PolarHBondContact N-OE1 3.13Å; M18-E90 HydrophobicContact CE-CG 4.42Å; Y57-E90 HydrophobicContact CD1-CB 3.75Å; Y57-E90 HydrophobicContact CD1-CG 4.24Å; Y57-E90 HydrophobicContact CD2-CB 3.61Å; Y57-E90 HydrophobicContact CE1-CB 3.97Å; Y57-E90 HydrophobicContact CE1-CG 4.29Å; Y57-E90 HydrophobicContact CE2-CB 3.83Å; Y57-E90 WeakPolarHBondContact CE2-O 3.49Å; Y57-E90 HydrophobicContact CG-CB 3.56Å; Q87-E90 HydrophobicContact CB-CB 4.35Å; Q87-E90 PolarHBondContact O-N 3.16Å; E90-L94 WeakPolarHBondContact O-CB 3.4Å; E90-L94 PolarHBondContact O-N 2.98Å; E90-R131 VanDerWaalsContact CD-NH1 3.29Å; E90-R131 IonicContact OE1-CZ 3.44Å; E90-R131 IonicContact OE1-NH1 3.58Å; E90-R131 PolarHBondContact OE1-NH1 3.33Å; E90-R131 VanDerWaalsContact OE1-NH1 3.09Å; E90-R131 IonicContact OE1-NH2 3.99Å; E90-R131 PolarHBondContact OE1-NH2 2.92Å; E90-R131 IonicContact OE2-CZ 3.09Å; E90-R131 IonicContact OE2-NH1 2.97Å; E90-R131 PolarHBondContact OE2-NH1 3.02Å; E90-R131 IonicContact OE2-NH2 2.7Å
91T98.4Very high97.7Very high0 Ų024.5 Ų24.50%012%0.117CC..Hα-helixtrans-55.2-60.5176.7-69.90000110.6I53 Y57 L60 Y81 Q87 S88 C93 L94 L95I53-T91 HydrophobicContact CB-CG2 4.3Å; I53-T91 HydrophobicContact CG2-CG2 3.62Å; Y57-T91 WeakPolarHBondContact CA-OG1 3.37Å; Y57-T91 PolarHBondContact N-OG1 3.29Å; L60-T91 HydrophobicContact CD2-CG2 4.08Å; Y81-T91 VanDerWaalsContact O-CG2 3.3Å; Y81-T91 WeakPolarHBondContact O-CG2 3.43Å; Q87-T91 PolarHBondContact O-N 2.76Å; Q87-T91 PolarHBondContact O-OG1 3.25Å; S88-T91 PolarHBondContact O-N 2.92Å; T91-C93 PolarHBondContact O-N 3.17Å; T91-L94 PolarHBondContact O-N 3.37Å; T91-L95 HydrophobicContact CG2-CD1 4.09Å; T91-L95 WeakPolarHBondContact O-CG 3.32Å; T91-L95 PolarHBondContact O-N 2.99Å; T91-L95 VanDerWaalsContact O-N 3.11Å
92I98.7Very high97.6Very high2 Ų226.3 Ų26.31%0.0113%0.125CC..Hα-helixtrans-66.8-38.2-175.2-168.557.9000111.8Y81 V82 S88 L94 L95 L96 F124 F140 F144Y81-I92 HydrophobicContact CD2-CD1 3.79Å; Y81-I92 HydrophobicContact CG-CD1 4.06Å; V82-I92 HydrophobicContact CG1-CB 4.08Å; V82-I92 HydrophobicContact CG1-CG2 4.32Å; S88-I92 VanDerWaalsContact O-CG2 3.27Å; S88-I92 WeakPolarHBondContact O-CG2 3.35Å; S88-I92 PolarHBondContact O-N 3.48Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.84Å; I92-L95 PolarHBondContact O-N 3.22Å; I92-L96 HydrophobicContact CD1-CD2 4.24Å; I92-L96 HydrophobicContact CD1-CG 4.14Å; I92-L96 HydrophobicContact CG1-CD1 4.16Å; I92-L96 HydrophobicContact CG1-CG 4.11Å; I92-L96 WeakPolarHBondContact O-CB 3.19Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.24Å; I92-L96 PolarHBondContact O-N 3.32Å; I92-F124 HydrophobicContact CG2-CE2 4.27Å; I92-F124 HydrophobicContact CG2-CZ 4.22Å; I92-F140 HydrophobicContact CG1-CD1 4.47Å; I92-F140 HydrophobicContact CG1-CE1 4.2Å; I92-F140 HydrophobicContact CG2-CD1 4.29Å; I92-F140 HydrophobicContact CG2-CE1 3.54Å; I92-F140 HydrophobicContact CG2-CZ 3.9Å; I92-F144 HydrophobicContact CD1-CE1 3.84Å; I92-F144 HydrophobicContact CD1-CZ 4.38Å; I92-F144 HydrophobicContact CG1-CE1 3.76Å; I92-F144 HydrophobicContact CG1-CZ 4Å
93C98.6Very high97.6Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-63.1-38.6178.4-69.70000112.1L3 M18 L26 L89 T91 A97L3-C93 HydrophobicContact CD1-CB 4.27Å; M18-C93 HydrophobicContact CE-CB 4.16Å; M18-C93 HydrophobicContact SD-CB 3.71Å; L26-C93 HydrophobicContact CD1-CB 3.95Å; L89-C93 WeakPolarHBondContact O-CB 3.38Å; L89-C93 PolarHBondContact O-N 2.82Å; L89-C93 PolarHBondContact O-SG 3.45Å; T91-C93 PolarHBondContact O-N 3.17Å; C93-A97 VanDerWaalsContact O-CB 3.23Å; C93-A97 WeakPolarHBondContact O-CB 3.47Å; C93-A97 PolarHBondContact O-N 3.27Å
94L98.2Very high97.6Very high6 Ų634.2 Ų34.23%0.03117%0.165CC..Hα-helixtrans-66.4-45176-178.362.7000111.4L3 Y57 L60 L61 F64 E90 T91 I92 A97 Y98L3-L94 HydrophobicContact CB-CD1 4.25Å; Y57-L94 HydrophobicContact CE2-CB 3.97Å; Y57-L94 HydrophobicContact CE2-CD2 3.64Å; Y57-L94 HydrophobicContact CE2-CG 4.43Å; L60-L94 HydrophobicContact CD2-CD2 4.22Å; L61-L94 HydrophobicContact CD2-CD2 3.75Å; F64-L94 HydrophobicContact CD2-CD2 4.43Å; F64-L94 HydrophobicContact CE2-CD2 4Å; E90-L94 WeakPolarHBondContact O-CB 3.4Å; E90-L94 PolarHBondContact O-N 2.98Å; T91-L94 PolarHBondContact O-N 3.37Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.84Å; L94-A97 PolarHBondContact O-N 3.26Å; L94-Y98 HydrophobicContact CD1-CD2 3.92Å; L94-Y98 HydrophobicContact CD1-CE2 3.46Å; L94-Y98 VanDerWaalsContact CD1-CE2 3.46Å; L94-Y98 HydrophobicContact CD2-CE2 4.08Å; L94-Y98 HydrophobicContact CG-CD2 3.88Å; L94-Y98 HydrophobicContact CG-CE2 3.65Å; L94-Y98 WeakPolarHBondContact O-CD2 3.47Å; L94-Y98 PolarHBondContact O-N 2.87Å
95L98.7Very high97.8Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-61.1-46.7178-65.6177.2000111.6L60 F64 F77 Y81 T91 I92 A97 Y98 K99 F106 L108L60-L95 HydrophobicContact CD1-CD2 4.17Å; L60-L95 HydrophobicContact CD2-CD2 3.95Å; L60-L95 HydrophobicContact CD2-CG 4.11Å; F64-L95 HydrophobicContact CZ-CD2 4.27Å; F77-L95 HydrophobicContact CD1-CD2 4.44Å; F77-L95 HydrophobicContact CD2-CD2 4.32Å; F77-L95 HydrophobicContact CE1-CD2 4.14Å; F77-L95 HydrophobicContact CE2-CD2 4.02Å; F77-L95 HydrophobicContact CZ-CD2 3.93Å; Y81-L95 HydrophobicContact CD1-CD1 3.39Å; Y81-L95 HydrophobicContact CE1-CD1 3.99Å; Y81-L95 HydrophobicContact CG-CD1 3.81Å; T91-L95 HydrophobicContact CG2-CD1 4.09Å; T91-L95 WeakPolarHBondContact O-CG 3.32Å; T91-L95 PolarHBondContact O-N 2.99Å; T91-L95 VanDerWaalsContact O-N 3.11Å; I92-L95 PolarHBondContact O-N 3.22Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 2.89Å; L95-Y98 PolarHBondContact O-N 3.27Å; L95-K99 PolarHBondContact O-N 3.13Å; L95-F106 HydrophobicContact CB-CE1 4.37Å; L95-F106 HydrophobicContact CD2-CE1 3.99Å; L95-F106 HydrophobicContact CD2-CZ 3.63Å; L95-F106 WeakPolarHBondContact O-CE1 3.32Å; L95-L108 HydrophobicContact CB-CD1 3.92Å; L95-L108 HydrophobicContact CB-CD2 4.15Å; L95-L108 HydrophobicContact CD1-CD2 4.32Å; L95-L108 HydrophobicContact CD2-CD2 4.28Å; L95-L108 HydrophobicContact CG-CD2 4.48Å
96L98.8Very high98Very high1 Ų131.1 Ų31.11%0.00515%0.151CC..Hα-helixtrans-64.2-39176.2-63.7-175.6000111.9L26 F34 I92 Y98 K99 I100 L108 F140L26-L96 HydrophobicContact CB-CB 4.44Å; F34-L96 HydrophobicContact CE2-CD2 3.96Å; F34-L96 HydrophobicContact CZ-CD2 3.94Å; I92-L96 HydrophobicContact CD1-CD2 4.24Å; I92-L96 HydrophobicContact CD1-CG 4.14Å; I92-L96 HydrophobicContact CG1-CD1 4.16Å; I92-L96 HydrophobicContact CG1-CG 4.11Å; I92-L96 WeakPolarHBondContact O-CB 3.19Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.24Å; I92-L96 PolarHBondContact O-N 3.32Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-Y98 PolarHBondContact O-N 3.14Å; L96-K99 PolarHBondContact O-N 2.92Å; L96-I100 WeakPolarHBondContact O-CD1 3.31Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 3.32Å; L96-L108 HydrophobicContact CD2-CD1 4.23Å; L96-F140 HydrophobicContact CD1-CE1 4.26Å
97A98.5Very high98.4Very high28 Ų2823.1 Ų23.123%0.23112%0.116CC..Hα-helixtrans-63.1-39.7175.800000112.1L3 L26 C93 L94 L95 I100 K101L3-A97 HydrophobicContact CD1-CB 4.25Å; L26-A97 HydrophobicContact CD2-CB 3.94Å; C93-A97 VanDerWaalsContact O-CB 3.23Å; C93-A97 WeakPolarHBondContact O-CB 3.47Å; C93-A97 PolarHBondContact O-N 3.27Å; L94-A97 PolarHBondContact O-N 3.26Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 2.89Å; A97-I100 PolarHBondContact O-N 3.22Å; A97-K101 VanDerWaalsContact O-CB 3.3Å; A97-K101 WeakPolarHBondContact O-CB 3.42Å; A97-K101 PolarHBondContact O-N 3.27Å
98Y98.6Very high98.5Very high24 Ų2422.9 Ų22.99%0.09412%0.115CC..Hα-helixtrans-68.4-39.8173.1-78.5-51.7000112.3F64 F69 P70 L94 L95 L96 I100 K101 Y102 F106F64-Y98 HydrophobicContact CD2-CE2 4.35Å; F64-Y98 HydrophobicContact CE2-CD2 4.25Å; F64-Y98 AromaticContact CE2-CE2 3.87Å; F64-Y98 HydrophobicContact CE2-CE2 3.87Å; F64-Y98 HydrophobicContact CZ-CD2 4.22Å; F64-Y98 HydrophobicContact CZ-CE2 4.21Å; F69-Y98 WeakPolarHBondContact CD1-OH 3.3Å; P70-Y98 HydrophobicContact CB-CD1 3.73Å; P70-Y98 HydrophobicContact CB-CE1 3.91Å; P70-Y98 HydrophobicContact CB-CG 4.22Å; P70-Y98 HydrophobicContact CG-CD1 3.95Å; P70-Y98 HydrophobicContact CG-CD2 4.16Å; P70-Y98 HydrophobicContact CG-CE1 4.06Å; P70-Y98 HydrophobicContact CG-CE2 4.26Å; P70-Y98 HydrophobicContact CG-CG 4.02Å; L94-Y98 HydrophobicContact CD1-CD2 3.92Å; L94-Y98 HydrophobicContact CD1-CE2 3.46Å; L94-Y98 VanDerWaalsContact CD1-CE2 3.46Å; L94-Y98 HydrophobicContact CD2-CE2 4.08Å; L94-Y98 HydrophobicContact CG-CD2 3.88Å; L94-Y98 HydrophobicContact CG-CE2 3.65Å; L94-Y98 WeakPolarHBondContact O-CD2 3.47Å; L94-Y98 PolarHBondContact O-N 2.87Å; L95-Y98 PolarHBondContact O-N 3.27Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-Y98 PolarHBondContact O-N 3.14Å; Y98-I100 VanDerWaalsContact C-N 3.3Å; Y98-I100 PolarHBondContact O-N 3.28Å; Y98-K101 PolarHBondContact O-N 2.94Å; Y98-Y102 AromaticContact CD1-CD2 3.9Å; Y98-Y102 HydrophobicContact CD1-CD2 3.9Å; Y98-Y102 AromaticContact CD1-CE2 3.84Å; Y98-Y102 HydrophobicContact CD1-CE2 3.84Å; Y98-Y102 HydrophobicContact CE1-CE2 4.15Å; Y98-Y102 PolarHBondContact O-N 2.76Å; Y98-F106 HydrophobicContact CD2-CE2 4.33Å; Y98-F106 HydrophobicContact CD2-CZ 4.29Å; Y98-F106 HydrophobicContact CG-CE2 4.36Å; Y98-F106 HydrophobicContact CG-CZ 4.48Å
99K98.8Very high98.5Very high1 Ų122.9 Ų22.90%0.00412%0.115CC..Hα-helixtrans-58-42.2173.7-17959178.1170.40112.3I33 F34 L95 L96 P103 F106 L108I33-K99 HydrophobicContact CG2-CD 4.42Å; I33-K99 HydrophobicContact CG2-CG 4.45Å; F34-K99 HydrophobicContact CD1-CG 4.47Å; F34-K99 HydrophobicContact CE1-CD 4.02Å; F34-K99 HydrophobicContact CE1-CG 3.69Å; F34-K99 HydrophobicContact CZ-CG 3.97Å; L95-K99 PolarHBondContact O-N 3.13Å; L96-K99 PolarHBondContact O-N 2.92Å; K99-P103 PolarHBondContact NZ-O 2.78Å; K99-P103 WeakPolarHBondContact O-CA 3.27Å; K99-F106 HydrophobicContact CB-CD1 4.36Å; K99-F106 WeakPolarHBondContact CD-O 3.28Å; K99-F106 PolarHBondContact NZ-O 3.04Å; K99-L108 HydrophobicContact CB-CD1 4.25Å
100I98.7Very high98.5Very high46 Ų4623 Ų2324%0.23612%0.115CC..Hα-helixtrans-68.7-39.9177.6-67.2159.9000111.4L26 K29 I33 L96 A97 Y98L26-I100 HydrophobicContact CB-CD1 4.42Å; L26-I100 HydrophobicContact CD2-CD1 3.73Å; L26-I100 WeakPolarHBondContact O-CD1 3.45Å; K29-I100 HydrophobicContact CB-CD1 3.71Å; K29-I100 HydrophobicContact CB-CG1 3.98Å; K29-I100 HydrophobicContact CD-CG2 4.47Å; I33-I100 HydrophobicContact CD1-CB 4.27Å; I33-I100 HydrophobicContact CD1-CG1 4.01Å; L96-I100 WeakPolarHBondContact O-CD1 3.31Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 3.32Å; A97-I100 PolarHBondContact O-N 3.22Å; Y98-I100 VanDerWaalsContact C-N 3.3Å; Y98-I100 PolarHBondContact O-N 3.28Å
101K98.4Very high98.5Very high84 Ų8422.8 Ų22.837%0.36511%0.114SC..Hα-helixtrans-75.8-33.7-175.8-167.1177.5179.5-151.30112.7M1 A97 Y98M1-K101 PolarHBondContact SD-NZ 2.94Å; A97-K101 VanDerWaalsContact O-CB 3.3Å; A97-K101 WeakPolarHBondContact O-CB 3.42Å; A97-K101 PolarHBondContact O-N 3.27Å; Y98-K101 PolarHBondContact O-N 2.94Å
102Y98.4Very high98.3Very high39 Ų3923.4 Ų23.415%0.15312%0.118CC..  trans-135.162.8-173.9-52.6-63.2000110.9P70 P71 Y98 E104 N105 F106P70-Y102 HydrophobicContact CB-CD2 3.72Å; P70-Y102 HydrophobicContact CB-CE2 3.89Å; P70-Y102 VanDerWaalsContact O-CE2 3.28Å; P70-Y102 WeakPolarHBondContact O-CE2 3.29Å; P71-Y102 HydrophobicContact CB-CD1 3.85Å; P71-Y102 HydrophobicContact CB-CE1 3.7Å; P71-Y102 HydrophobicContact CB-CE2 4.41Å; P71-Y102 HydrophobicContact CB-CG 4.25Å; P71-Y102 VanDerWaalsContact CD-OH 3.32Å; P71-Y102 WeakPolarHBondContact CD-OH 3.49Å; P71-Y102 HydrophobicContact CG-CD1 4.27Å; P71-Y102 HydrophobicContact CG-CE1 3.61Å; Y98-Y102 AromaticContact CD1-CD2 3.9Å; Y98-Y102 HydrophobicContact CD1-CD2 3.9Å; Y98-Y102 AromaticContact CD1-CE2 3.84Å; Y98-Y102 HydrophobicContact CD1-CE2 3.84Å; Y98-Y102 HydrophobicContact CE1-CE2 4.15Å; Y98-Y102 PolarHBondContact O-N 2.76Å; Y102-E104 PolarHBondContact O-N 2.84Å; Y102-E104 VanDerWaalsContact O-N 3.12Å; Y102-N105 PolarHBondContact O-N 3.49Å; Y102-N105 VanDerWaalsContact O-N 3.1Å; Y102-F106 WeakPolarHBondContact O-CB 3.49Å; Y102-F106 PolarHBondContact O-N 2.8Å
103P98.4Very high98.2Very high41 Ų4123.7 Ų23.727%0.26612%0.119SC..THydrogen-bonded Turntrans-60.5-26.4-170.924-34.4000114.2I33 Q37 K99I33-P103 HydrophobicContact CD1-CB 4.47Å; I33-P103 HydrophobicContact CG2-CB 3.92Å; Q37-P103 PolarHBondContact NE2-O 2.87Å; K99-P103 PolarHBondContact NZ-O 2.78Å; K99-P103 WeakPolarHBondContact O-CA 3.27Å
104E98.2Very high98.2Very high125 Ų12523.7 Ų23.758%0.58412%0.119SC*.THydrogen-bonded Turntrans-101.93.1-178.5-52.2-48.8130.500113.7Q37 Y102 F107Q37-E104 PolarHBondContact NE2-OE1 3.1Å; Y102-E104 PolarHBondContact O-N 2.84Å; Y102-E104 VanDerWaalsContact O-N 3.12Å; E104-F107 VanDerWaalsContact C-CZ 3.47Å; E104-F107 WeakPolarHBondContact O-CZ 3.32Å
105N98.3Very high98Very high61 Ų6123.6 Ų23.633%0.32612%0.119SC..THydrogen-bonded Turntrans-125.5-8.8177.9-56.494.2000112.6N74 Y75 Y102N74-N105 CarbonylContact C-O 3.19Å; N74-N105 WeakPolarHBondContact CA-O 3.26Å; N74-N105 VanDerWaalsContact OD1-CB 3.26Å; N74-N105 WeakPolarHBondContact OD1-CB 3.27Å; N74-N105 PolarHBondContact OD1-ND2 2.88Å; Y75-N105 PolarHBondContact N-O 2.81Å; Y102-N105 PolarHBondContact O-N 3.49Å; Y102-N105 VanDerWaalsContact O-N 3.1Å
106F98.7Very high97.9Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-134.5117.4-173.9-159.9-90.6000110.2F64 P70 Y75 F77 L95 Y98 K99 Y102 L108F64-F106 AromaticContact CE1-CE2 3.95Å; F64-F106 HydrophobicContact CE1-CE2 3.95Å; F64-F106 HydrophobicContact CE1-CZ 4.39Å; F64-F106 AromaticContact CZ-CE2 3.96Å; F64-F106 HydrophobicContact CZ-CE2 3.96Å; F64-F106 AromaticContact CZ-CZ 4Å; F64-F106 HydrophobicContact CZ-CZ 4Å; P70-F106 HydrophobicContact CB-CD2 4.12Å; P70-F106 HydrophobicContact CG-CD2 3.6Å; P70-F106 HydrophobicContact CG-CE2 3.59Å; Y75-F106 HydrophobicContact CD2-CD2 4.24Å; Y75-F106 HydrophobicContact CD2-CE2 4.18Å; Y75-F106 HydrophobicContact CG-CD2 4.32Å; Y75-F106 HydrophobicContact CG-CE2 4.08Å; F77-F106 HydrophobicContact CD2-CE1 4.42Å; F77-F106 HydrophobicContact CD2-CE2 4.48Å; F77-F106 AromaticContact CD2-CZ 3.96Å; F77-F106 HydrophobicContact CD2-CZ 3.96Å; F77-F106 HydrophobicContact CE2-CE1 4.34Å; F77-F106 AromaticContact CE2-CE2 3.78Å; F77-F106 HydrophobicContact CE2-CE2 3.78Å; F77-F106 AromaticContact CE2-CZ 3.46Å; F77-F106 HydrophobicContact CE2-CZ 3.46Å; F77-F106 VanDerWaalsContact CE2-CZ 3.46Å; F77-F106 HydrophobicContact CZ-CZ 4.33Å; L95-F106 HydrophobicContact CB-CE1 4.37Å; L95-F106 HydrophobicContact CD2-CE1 3.99Å; L95-F106 HydrophobicContact CD2-CZ 3.63Å; L95-F106 WeakPolarHBondContact O-CE1 3.32Å; Y98-F106 HydrophobicContact CD2-CE2 4.33Å; Y98-F106 HydrophobicContact CD2-CZ 4.29Å; Y98-F106 HydrophobicContact CG-CE2 4.36Å; Y98-F106 HydrophobicContact CG-CZ 4.48Å; K99-F106 HydrophobicContact CB-CD1 4.36Å; K99-F106 WeakPolarHBondContact CD-O 3.28Å; K99-F106 PolarHBondContact NZ-O 3.04Å; Y102-F106 WeakPolarHBondContact O-CB 3.49Å; Y102-F106 PolarHBondContact O-N 2.8Å; F106-L108 HydrophobicContact CD1-CD2 4.4Å; F106-L108 HydrophobicContact CD1-CG 4.36Å; F106-L108 HydrophobicContact CE1-CD1 4.37Å; F106-L108 HydrophobicContact CE1-CD2 3.74Å; F106-L108 HydrophobicContact CE1-CG 4.11Å; F106-L108 HydrophobicContact CZ-CD2 4.49Å
107F98.9Very high97.6Very high18 Ų1828 Ų288%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-127.2141.2-170.3-56-81.7000110.7L41 L43 Y75 L76 F77 E104L41-F107 HydrophobicContact CD1-CB 3.93Å; L41-F107 HydrophobicContact CD1-CD1 3.84Å; L41-F107 HydrophobicContact CD1-CG 4.21Å; L43-F107 HydrophobicContact CD1-CB 4.35Å; L43-F107 HydrophobicContact CD1-CD2 4.01Å; L43-F107 HydrophobicContact CD1-CG 4.08Å; L43-F107 HydrophobicContact CD2-CD1 3.71Å; L43-F107 HydrophobicContact CD2-CD2 3.84Å; L43-F107 HydrophobicContact CD2-CE1 3.5Å; L43-F107 VanDerWaalsContact CD2-CE1 3.5Å; L43-F107 HydrophobicContact CD2-CE2 3.64Å; L43-F107 HydrophobicContact CD2-CG 3.88Å; L43-F107 HydrophobicContact CD2-CZ 3.45Å; L43-F107 VanDerWaalsContact CD2-CZ 3.45Å; Y75-F107 WeakPolarHBondContact O-CD2 3.12Å; Y75-F107 PolarHBondContact O-N 3.13Å; L76-F107 WeakPolarHBondContact CA-O 3.4Å; L76-F107 HydrophobicContact CD1-CB 3.7Å; F77-F107 PolarHBondContact N-O 3.42Å; E104-F107 VanDerWaalsContact C-CZ 3.47Å; E104-F107 WeakPolarHBondContact O-CZ 3.32Å
108L98.9Very high97.5Very high1 Ų128.8 Ų28.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-133.4115.9-175.5-63176.8000107.6F34 F77 Y81 L95 L96 K99 F106 L147 P148F34-L108 HydrophobicContact CE1-CB 4.27Å; F34-L108 HydrophobicContact CZ-CB 4.43Å; F34-L108 HydrophobicContact CZ-CD1 4.12Å; F77-L108 HydrophobicContact CB-CD2 3.79Å; F77-L108 HydrophobicContact CD2-CD2 3.87Å; F77-L108 HydrophobicContact CG-CD2 4.01Å; Y81-L108 HydrophobicContact CE1-CD2 4.08Å; Y81-L108 WeakPolarHBondContact OH-CA 3.26Å; Y81-L108 WeakPolarHBondContact OH-CB 3.33Å; L95-L108 HydrophobicContact CB-CD1 3.92Å; L95-L108 HydrophobicContact CB-CD2 4.15Å; L95-L108 HydrophobicContact CD1-CD2 4.32Å; L95-L108 HydrophobicContact CD2-CD2 4.28Å; L95-L108 HydrophobicContact CG-CD2 4.48Å; L96-L108 HydrophobicContact CD2-CD1 4.23Å; K99-L108 HydrophobicContact CB-CD1 4.25Å; F106-L108 HydrophobicContact CD1-CD2 4.4Å; F106-L108 HydrophobicContact CD1-CG 4.36Å; F106-L108 HydrophobicContact CE1-CD1 4.37Å; F106-L108 HydrophobicContact CE1-CD2 3.74Å; F106-L108 HydrophobicContact CE1-CG 4.11Å; F106-L108 HydrophobicContact CZ-CD2 4.49Å; L108-L147 HydrophobicContact CB-CD2 4.01Å; L108-P148 VanDerWaalsContact O-CD 3.26Å; L108-P148 WeakPolarHBondContact O-CD 3.34Å; L108-P148 WeakPolarHBondContact O-CG 3.39Å
109L98.7Very high97.4Very high0 Ų027.6 Ų27.60%015%0.146CC..  trans-84.2176.3170.6-59-172.4000111L41 L76 F77 L78 Y81 P148 A151 C159L41-L109 HydrophobicContact CD1-CD2 3.92Å; L76-L109 HydrophobicContact CD1-CD1 4.23Å; L76-L109 HydrophobicContact CD1-CD2 4.07Å; L76-L109 HydrophobicContact CD1-CG 3.78Å; F77-L109 WeakPolarHBondContact O-CB 3.39Å; F77-L109 PolarHBondContact O-N 2.95Å; L78-L109 HydrophobicContact CD2-CD1 3.89Å; Y81-L109 WeakPolarHBondContact CE2-O 3.39Å; Y81-L109 VanDerWaalsContact CZ-O 3.28Å; Y81-L109 PolarHBondContact OH-N 3.27Å; Y81-L109 VanDerWaalsContact OH-N 3.11Å; Y81-L109 PolarHBondContact OH-O 3.12Å; L109-P148 CarbonylContact C-O 3.3Å; L109-P148 WeakPolarHBondContact CA-O 3.17Å; L109-P148 HydrophobicContact CD2-CB 4.27Å; L109-P148 HydrophobicContact CD2-CG 4.05Å; L109-A151 HydrophobicContact CD1-CB 4.44Å; L109-A151 HydrophobicContact CD2-CB 4.26Å; L109-C159 HydrophobicContact CD1-CB 4.24Å
110R98.2Very high97.4Very high2 Ų232.5 Ų32.51%0.00816%0.164CC..  trans-98.1125.6176.4-164175-176.5175.35.1110.4E114 F144 N145 L147 P148 H161 T181 F191R110-E114 HydrophobicContact CG-CB 3.86Å; R110-E114 PolarHBondContact NE-O 2.83Å; R110-E114 PolarHBondContact NH2-O 2.76Å; R110-F144 PolarHBondContact NE-O 3.04Å; R110-N145 PolarHBondContact NH2-OD1 2.9Å; R110-L147 HydrophobicContact CB-CB 3.73Å; R110-L147 HydrophobicContact CB-CD1 4.31Å; R110-L147 HydrophobicContact CG-CB 4.08Å; R110-L147 HydrophobicContact CG-CD1 4.15Å; R110-P148 PolarHBondContact N-O 3.43Å; R110-H161 WeakPolarHBondContact O-CB 3.09Å; R110-T181 PolarHBondContact NH1-O 2.92Å; R110-F191 HydrophobicContact CB-CE1 4.21Å; R110-F191 HydrophobicContact CB-CZ 3.84Å; R110-F191 HydrophobicContact CG-CE2 4.2Å; R110-F191 HydrophobicContact CG-CZ 3.95Å; R110-F191 WeakPolarHBondContact O-CD1 3.5Å; R110-F191 WeakPolarHBondContact O-CE1 3.26Å
111G97.1Very high97.3Very high0 Ų036 Ų360%018%0.182CC..  trans-93176.8165.600000112.7D80 H113 E114 H161D80-G111 WeakPolarHBondContact OD1-CA 3.2Å; G111-H113 VanDerWaalsContact C-N 3.25Å; G111-H113 PolarHBondContact O-N 3.17Å; G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.31Å; G111-E114 PolarHBondContact N-OE2 3.34Å; G111-E114 PolarHBondContact O-N 2.8Å; G111-H161 VanDerWaalsContact CA-CD2 3.44Å; G111-H161 WeakPolarHBondContact CA-CD2 3.46Å; G111-H161 VanDerWaalsContact CA-CG 3.45Å
112N94.9Very high97.2Very high13 Ų1336.9 Ų36.97%0.0718%0.184CC..THydrogen-bonded Turntrans-71.3-22.7177.762.9-79.9000112.3D80 E114 C115 I118 H161 F191 L192 H234D80-N112 PolarHBondContact OD1-N 3.4Å; D80-N112 PolarHBondContact OD1-OD1 2.93Å; D80-N112 PolarHBondContact OD2-OD1 2.96Å; N112-E114 VanDerWaalsContact C-N 3.33Å; N112-C115 WeakPolarHBondContact O-CB 3.19Å; N112-I118 WeakPolarHBondContact O-CG1 3.44Å; N112-H161 PolarHBondContact N-CD2 3.23Å; N112-H161 PolarHBondContact OD1-CD2 2.93Å; N112-H161 PolarHBondContact OD1-NE2 2.82Å; N112-F191 HydrophobicContact CB-CB 3.66Å; N112-L192 HydrophobicContact CB-CD2 3.68Å; N112-L192 HydrophobicContact CB-CG 4.36Å; N112-H234 PolarHBondContact OD1-CE1 2.9Å; N112-H234 PolarHBondContact OD1-ND1 3.48Å
113H96.7Very high97.1Very high8 Ų836.2 Ų36.24%0.03719%0.189CC..THydrogen-bonded Turntrans-79.4-13.9175.5-74.6-98.9000113.4H54 D80 V82 D83 G111 C115 I118 N119 Y122H54-H113 AromaticContact CE1-CD2 3.49Å; H54-H113 PolarHBondContact CE1-CD2 3.01Å; H54-H113 VanDerWaalsContact CE1-CD2 3.49Å; H54-H113 AromaticContact CE1-CE1 3.81Å; H54-H113 AromaticContact CE1-CG 3.68Å; H54-H113 AromaticContact CE1-ND1 3.87Å; H54-H113 AromaticContact CE1-NE2 3.6Å; D80-H113 HydrophobicContact CB-CB 4.45Å; D80-H113 VanDerWaalsContact CG-CD2 3.45Å; D80-H113 WeakPolarHBondContact OD1-CB 3.31Å; D80-H113 IonicContact OD1-CD2 3.8Å; D80-H113 PolarHBondContact OD1-CD2 3.43Å; D80-H113 IonicContact OD1-CG 3.86Å; D80-H113 PolarHBondContact OD1-N 3.36Å; D80-H113 IonicContact OD2-CD2 3.81Å; D80-H113 PolarHBondContact OD2-CD2 3.21Å; D80-H113 VanDerWaalsContact OD2-CD2 3.24Å; V82-H113 HydrophobicContact CG2-CB 4.37Å; D83-H113 WeakPolarHBondContact CB-ND1 3.5Å; D83-H113 IonicContact OD2-CE1 3.62Å; D83-H113 IonicContact OD2-CG 3.74Å; D83-H113 IonicContact OD2-ND1 3.24Å; D83-H113 PolarHBondContact OD2-ND1 3.02Å; G111-H113 VanDerWaalsContact C-N 3.25Å; G111-H113 PolarHBondContact O-N 3.17Å; H113-C115 PolarHBondContact O-N 3.17Å; H113-I118 HydrophobicContact CB-CG2 4.4Å; H113-I118 WeakPolarHBondContact ND1-CG2 3.45Å; H113-N119 VanDerWaalsContact O-CB 3.32Å; H113-N119 WeakPolarHBondContact O-CB 3.23Å; H113-N119 PolarHBondContact O-ND2 3.48Å; H113-Y122 AromaticContact CE1-CD2 4Å
114E97.9Very high97.1Very high0 Ų034.3 Ų34.30%018%0.177CC..SBendtrans-81.840.1168.7-74.172.6-128.200111.8D80 Y81 R110 G111 N112 F144 L147D80-E114 PolarHBondContact N-OE2 3Å; Y81-E114 HydrophobicContact CD2-CG 3.65Å; Y81-E114 VanDerWaalsContact CD2-OE1 3.3Å; Y81-E114 WeakPolarHBondContact CD2-OE1 3.35Å; Y81-E114 HydrophobicContact CE2-CG 3.98Å; Y81-E114 PolarHBondContact N-OE1 3.21Å; R110-E114 HydrophobicContact CG-CB 3.86Å; R110-E114 PolarHBondContact NE-O 2.83Å; R110-E114 PolarHBondContact NH2-O 2.76Å; G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.31Å; G111-E114 PolarHBondContact N-OE2 3.34Å; G111-E114 PolarHBondContact O-N 2.8Å; N112-E114 VanDerWaalsContact C-N 3.33Å; E114-F144 HydrophobicContact CB-CB 4Å; E114-F144 HydrophobicContact CB-CD1 4.36Å; E114-F144 HydrophobicContact CB-CD2 4.12Å; E114-F144 HydrophobicContact CB-CG 3.92Å; E114-F144 HydrophobicContact CG-CD1 3.97Å; E114-F144 HydrophobicContact CG-CD2 4.19Å; E114-F144 HydrophobicContact CG-CE1 4.17Å; E114-F144 HydrophobicContact CG-CE2 4.36Å; E114-F144 HydrophobicContact CG-CG 3.99Å; E114-F144 HydrophobicContact CG-CZ 4.36Å; E114-F144 WeakPolarHBondContact O-CB 3.35Å; E114-L147 HydrophobicContact CB-CD1 3.94Å; E114-L147 HydrophobicContact CG-CD1 3.79Å
115C94.7Very high97.1Very high4 Ų429.3 Ų29.33%0.02715%0.153CC..SBendtrans-132.5140.5175.2177.80000110.4N112 H113 S117 I118 N119 D182 V183N112-C115 WeakPolarHBondContact O-CB 3.19Å; H113-C115 PolarHBondContact O-N 3.17Å; C115-S117 VanDerWaalsContact C-N 3.34Å; C115-S117 PolarHBondContact O-N 3Å; C115-S117 PolarHBondContact SG-OG 3.27Å; C115-I118 HydrophobicContact CB-CG1 4.46Å; C115-I118 PolarHBondContact O-N 2.93Å; C115-N119 PolarHBondContact O-N 3.06Å; C115-N119 PolarHBondContact O-ND2 3.28Å; C115-N119 VanDerWaalsContact O-ND2 3.16Å; C115-N119 PolarHBondContact O-OD1 2.87Å; C115-D182 PolarHBondContact SG-OD1 3.31Å; C115-V183 HydrophobicContact CB-CB 4.42Å; C115-V183 HydrophobicContact CB-CG2 3.72Å
116A95.9Very high97.1Very high19 Ų1930.3 Ų30.316%0.15716%0.158CC..Hα-helixtrans-61.7-39.1-175.200000113I118 R120 W137 T141A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 2.87Å; A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.49Å; A116-R120 VanDerWaalsContact O-N 3.1Å; A116-W137 HydrophobicContact CB-CH2 4.06Å; A116-W137 HydrophobicContact CB-CZ2 3.95Å; A116-T141 HydrophobicContact CB-CG2 3.79Å
117S93.7Very high97.1Very high75 Ų7530.9 Ų30.952%0.52416%0.161SC..Hα-helixtrans-63.4-38.1-178.958.40000112.2C115C115-S117 VanDerWaalsContact C-N 3.34Å; C115-S117 PolarHBondContact O-N 3Å; C115-S117 PolarHBondContact SG-OG 3.27Å
118I94.6Very high97Very high43 Ų4330 Ų3022%0.22116%0.157CC..Hα-helixtrans-78.1-56.8-178.9-58.7-57.4000110.6N112 H113 C115 A116 R120 I121 Y122N112-I118 WeakPolarHBondContact O-CG1 3.44Å; H113-I118 HydrophobicContact CB-CG2 4.4Å; H113-I118 WeakPolarHBondContact ND1-CG2 3.45Å; C115-I118 HydrophobicContact CB-CG1 4.46Å; C115-I118 PolarHBondContact O-N 2.93Å; A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 2.87Å; I118-R120 PolarHBondContact O-N 3.2Å; I118-R120 VanDerWaalsContact O-N 3.13Å; I118-I121 PolarHBondContact O-N 3.4Å; I118-Y122 HydrophobicContact CG2-CD2 3.63Å; I118-Y122 HydrophobicContact CG2-CE2 4.04Å; I118-Y122 VanDerWaalsContact O-CD2 3.29Å; I118-Y122 WeakPolarHBondContact O-CD2 3.47Å; I118-Y122 PolarHBondContact O-N 2.97Å
119N97.7Very high97Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-75.8-4.7-173.873.432.7000114.7V82 D83 H113 C115 I121 F124 Y125 W137V82-N119 HydrophobicContact CG2-CB 4.2Å; D83-N119 WeakPolarHBondContact OD1-CA 3.33Å; D83-N119 WeakPolarHBondContact OD1-CB 3.23Å; D83-N119 WeakPolarHBondContact OD2-CA 3.41Å; D83-N119 WeakPolarHBondContact OD2-CB 3.35Å; H113-N119 VanDerWaalsContact O-CB 3.32Å; H113-N119 WeakPolarHBondContact O-CB 3.23Å; H113-N119 PolarHBondContact O-ND2 3.48Å; C115-N119 PolarHBondContact O-N 3.06Å; C115-N119 PolarHBondContact O-ND2 3.28Å; C115-N119 VanDerWaalsContact O-ND2 3.16Å; C115-N119 PolarHBondContact O-OD1 2.87Å; N119-I121 VanDerWaalsContact C-N 3.26Å; N119-F124 HydrophobicContact CB-CB 3.95Å; N119-F124 HydrophobicContact CB-CD1 4.39Å; N119-Y125 WeakPolarHBondContact O-CB 3.26Å; N119-Y125 PolarHBondContact O-N 3.44Å; N119-W137 PolarHBondContact OD1-NE1 3.01Å
120R97.6Very high96.9Very high103 Ų10344 Ų4439%0.38921%0.213SC..THydrogen-bonded Turntrans-66.9-28.2164.1-179.660.6-175.382.6-1113A116 I118 Y125 W137A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.49Å; A116-R120 VanDerWaalsContact O-N 3.1Å; I118-R120 PolarHBondContact O-N 3.2Å; I118-R120 VanDerWaalsContact O-N 3.13Å; R120-Y125 VanDerWaalsContact CD-CG 3.41Å; R120-W137 HydrophobicContact CB-CZ2 4.07Å
121I96.6Very high96.8Very high120 Ų12046.4 Ų46.462%0.61522%0.222SC*.THydrogen-bonded Turntrans-106.8-39.8-170.7-56.6174.5000111.2I118 N119 G123I118-I121 PolarHBondContact O-N 3.4Å; N119-I121 VanDerWaalsContact C-N 3.26Å; I121-G123 PolarHBondContact O-N 3.25Å
122Y96.4Very high96.8Very high102 Ų10248.9 Ų48.940%0.423%0.233SC..SBendtrans-92.910.6-168.4-65.2-71.9000115.7D83 R84 H113 I118D83-Y122 WeakPolarHBondContact CB-O 3.24Å; D83-Y122 VanDerWaalsContact OD1-C 3.28Å; R84-Y122 PolarHBondContact N-O 3.18Å; R84-Y122 VanDerWaalsContact NE-CD1 3.25Å; H113-Y122 AromaticContact CE1-CD2 4Å; I118-Y122 HydrophobicContact CG2-CD2 3.63Å; I118-Y122 HydrophobicContact CG2-CE2 4.04Å; I118-Y122 VanDerWaalsContact O-CD2 3.29Å; I118-Y122 WeakPolarHBondContact O-CD2 3.47Å; I118-Y122 PolarHBondContact O-N 2.97Å
123G97.2Very high96.9Very high26 Ų2649.7 Ų49.727%0.26824%0.239SC..SBendtrans128.8-26.1160.200000116.1D83 I121 Y125 D126 E127D83-G123 PolarHBondContact OD1-N 3.03Å; I121-G123 PolarHBondContact O-N 3.25Å; G123-Y125 PolarHBondContact O-N 2.87Å; G123-D126 PolarHBondContact O-N 3.43Å; G123-E127 PolarHBondContact O-N 3.12Å
124F98.5Very high97Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-66.3-39.9-173.7-174.2-127.9000113.1V82 D83 L89 I92 N119 D126 E127 C128 W137 F140 F144V82-F124 HydrophobicContact CB-CB 4.02Å; V82-F124 HydrophobicContact CB-CD1 4.27Å; V82-F124 HydrophobicContact CB-CD2 3.88Å; V82-F124 HydrophobicContact CB-CE2 4.39Å; V82-F124 HydrophobicContact CB-CG 3.8Å; V82-F124 HydrophobicContact CG1-CD1 4.27Å; V82-F124 HydrophobicContact CG1-CD2 3.83Å; V82-F124 HydrophobicContact CG1-CE1 4.27Å; V82-F124 HydrophobicContact CG1-CE2 3.82Å; V82-F124 HydrophobicContact CG1-CG 4.06Å; V82-F124 HydrophobicContact CG1-CZ 4.04Å; V82-F124 HydrophobicContact CG2-CB 4.1Å; V82-F124 HydrophobicContact CG2-CD1 4.13Å; V82-F124 HydrophobicContact CG2-CG 4.04Å; D83-F124 WeakPolarHBondContact OD1-CB 3.37Å; D83-F124 PolarHBondContact OD1-N 3.04Å; L89-F124 HydrophobicContact CD2-CE2 4.12Å; L89-F124 HydrophobicContact CG-CE2 4.19Å; I92-F124 HydrophobicContact CG2-CE2 4.27Å; I92-F124 HydrophobicContact CG2-CZ 4.22Å; N119-F124 HydrophobicContact CB-CB 3.95Å; N119-F124 HydrophobicContact CB-CD1 4.39Å; F124-D126 VanDerWaalsContact C-N 3.35Å; F124-D126 PolarHBondContact O-N 3.3Å; F124-E127 PolarHBondContact O-N 3.4Å; F124-C128 WeakPolarHBondContact O-CB 3.44Å; F124-C128 PolarHBondContact O-N 2.86Å; F124-C128 PolarHBondContact O-SG 2.53Å; F124-W137 AromaticContact CD1-CD1 3.85Å; F124-F140 HydrophobicContact CE1-CB 3.69Å; F124-F140 HydrophobicContact CE1-CD1 4.37Å; F124-F140 AromaticContact CE1-CD2 3.96Å; F124-F140 HydrophobicContact CE1-CD2 3.96Å; F124-F140 AromaticContact CE1-CG 3.78Å; F124-F140 HydrophobicContact CE1-CG 3.78Å; F124-F140 HydrophobicContact CZ-CB 4.05Å; F124-F140 AromaticContact CZ-CD1 3.94Å; F124-F140 HydrophobicContact CZ-CD1 3.94Å; F124-F140 AromaticContact CZ-CD2 3.54Å; F124-F140 HydrophobicContact CZ-CD2 3.54Å; F124-F140 HydrophobicContact CZ-CE1 4.22Å; F124-F140 AromaticContact CZ-CE2 3.83Å; F124-F140 HydrophobicContact CZ-CE2 3.83Å; F124-F140 AromaticContact CZ-CG 3.58Å; F124-F140 HydrophobicContact CZ-CG 3.58Å; F124-F140 HydrophobicContact CZ-CZ 4.15Å; F124-F144 HydrophobicContact CD1-CE2 4.14Å; F124-F144 AromaticContact CE1-CE2 3.67Å; F124-F144 HydrophobicContact CE1-CE2 3.67Å; F124-F144 AromaticContact CE1-CZ 3.88Å; F124-F144 HydrophobicContact CE1-CZ 3.88Å; F124-F144 HydrophobicContact CZ-CE2 4.48Å; F124-F144 HydrophobicContact CZ-CZ 4.25Å
125Y98.5Very high97Very high20 Ų2059.4 Ų59.48%0.07828%0.284CS..Hα-helixtrans-57.8-47.2173.4171.8-87.4000111.9N119 R120 G123 E127 C128 K129 I134 W137N119-Y125 WeakPolarHBondContact O-CB 3.26Å; N119-Y125 PolarHBondContact O-N 3.44Å; R120-Y125 VanDerWaalsContact CD-CG 3.41Å; G123-Y125 PolarHBondContact O-N 2.87Å; Y125-E127 VanDerWaalsContact C-N 3.34Å; Y125-C128 PolarHBondContact O-N 2.97Å; Y125-K129 HydrophobicContact CE1-CB 4.47Å; Y125-K129 HydrophobicContact CE1-CD 3.93Å; Y125-K129 WeakPolarHBondContact O-CB 3.36Å; Y125-K129 PolarHBondContact O-N 3.38Å; Y125-I134 HydrophobicContact CE2-CG1 4.23Å; Y125-I134 HydrophobicContact CE2-CG2 4.04Å; Y125-I134 VanDerWaalsContact OH-CD1 3.32Å; Y125-I134 WeakPolarHBondContact OH-CD1 3.47Å; Y125-W137 HydrophobicContact CD2-CB 4.48Å; Y125-W137 AromaticContact CD2-CD2 3.5Å; Y125-W137 HydrophobicContact CD2-CD2 3.5Å; Y125-W137 AromaticContact CD2-CE2 3.77Å; Y125-W137 AromaticContact CD2-CE3 3.69Å; Y125-W137 HydrophobicContact CD2-CE3 3.69Å; Y125-W137 AromaticContact CD2-CG 3.86Å; Y125-W137 HydrophobicContact CD2-CG 3.86Å; Y125-W137 HydrophobicContact CD2-CH2 4.34Å; Y125-W137 HydrophobicContact CD2-CZ2 4.18Å; Y125-W137 HydrophobicContact CD2-CZ3 4.1Å; Y125-W137 HydrophobicContact CE2-CD2 4.25Å; Y125-W137 AromaticContact CE2-CE3 3.98Å; Y125-W137 HydrophobicContact CE2-CE3 3.98Å; Y125-W137 HydrophobicContact CE2-CZ3 4.28Å; Y125-W137 HydrophobicContact CG-CD2 4.47Å
126D98Very high97.2Very high82 Ų8259.2 Ų59.244%0.43928%0.283SS..Hα-helixtrans-68.6-35.7-179.3-71.9-36.4000111.2G123 F124 K129 R130G123-D126 PolarHBondContact O-N 3.43Å; F124-D126 VanDerWaalsContact C-N 3.35Å; F124-D126 PolarHBondContact O-N 3.3Å; D126-K129 PolarHBondContact O-N 3.09Å; D126-R130 WeakPolarHBondContact O-CB 3.24Å; D126-R130 PolarHBondContact O-N 3.22Å
127E98Very high97.4Very high12 Ų1259.7 Ų59.76%0.05628%0.281CS..Hα-helixtrans-61.4-48172.9-156-167.914500111.6S88 L89 G123 F124 Y125 R130 R131S88-E127 WeakPolarHBondContact CA-OE2 3.4Å; S88-E127 WeakPolarHBondContact CB-OE2 3.46Å; S88-E127 PolarHBondContact N-OE2 2.72Å; S88-E127 PolarHBondContact OG-OE2 3.11Å; L89-E127 WeakPolarHBondContact CB-OE1 3.04Å; L89-E127 HydrophobicContact CD1-CG 3.95Å; L89-E127 WeakPolarHBondContact CD1-OE1 2.9Å; L89-E127 HydrophobicContact CG-CG 4.5Å; L89-E127 PolarHBondContact N-OE1 3.07Å; G123-E127 PolarHBondContact O-N 3.12Å; F124-E127 PolarHBondContact O-N 3.4Å; Y125-E127 VanDerWaalsContact C-N 3.34Å; E127-R130 PolarHBondContact O-N 2.91Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 2.97Å; E127-R131 IonicContact OE1-NH1 3.75Å; E127-R131 PolarHBondContact OE1-NH1 3.48Å
128C98.2Very high97.6Very high0 Ų062 Ų620%028%0.281CS..Hα-helixtrans-61.3-48.1175.9-710000111.9F124 Y125 R130 R131 F132 S133 W137F124-C128 WeakPolarHBondContact O-CB 3.44Å; F124-C128 PolarHBondContact O-N 2.86Å; F124-C128 PolarHBondContact O-SG 2.53Å; Y125-C128 PolarHBondContact O-N 2.97Å; C128-R130 VanDerWaalsContact C-N 3.32Å; C128-R130 PolarHBondContact O-N 2.9Å; C128-R131 PolarHBondContact O-N 3.18Å; C128-F132 CarbonylContact O-C 3.58Å; C128-F132 VanDerWaalsContact O-C 3.3Å; C128-F132 WeakPolarHBondContact O-CA 3.39Å; C128-F132 PolarHBondContact O-N 2.74Å; C128-S133 PolarHBondContact O-N 3.48Å; C128-S133 VanDerWaalsContact O-N 3.13Å; C128-W137 HydrophobicContact CB-CB 3.77Å
129K97.6Very high97.8Very high118 Ų11860.6 Ų60.651%0.51328%0.275SS..Hα-helixtrans-61-40.9179.7179.2-178.5174.2-1730111.7Y125 D126 I134Y125-K129 HydrophobicContact CE1-CB 4.47Å; Y125-K129 HydrophobicContact CE1-CD 3.93Å; Y125-K129 WeakPolarHBondContact O-CB 3.36Å; Y125-K129 PolarHBondContact O-N 3.38Å; D126-K129 PolarHBondContact O-N 3.09Å; K129-I134 HydrophobicContact CB-CG1 4.32Å; K129-I134 HydrophobicContact CD-CD1 4.41Å; K129-I134 HydrophobicContact CD-CG1 4.37Å; K129-I134 HydrophobicContact CG-CG1 4.11Å
130R96.9Very high97.8Very high176 Ų17660.7 Ų60.766%0.66428%0.275SS*.Hα-helixtrans-72.1-39-178.3-179.3-178.858.176.2-0.7112.8D126 E127 C128D126-R130 WeakPolarHBondContact O-CB 3.24Å; D126-R130 PolarHBondContact O-N 3.22Å; E127-R130 PolarHBondContact O-N 2.91Å; C128-R130 VanDerWaalsContact C-N 3.32Å; C128-R130 PolarHBondContact O-N 2.9Å
131R96.7Very high97.9Very high53 Ų5356.5 Ų56.520%0.226%0.261CS..Hα-helixtrans-95.8-26-173.4-68.5177.560.3-179.36114L89 E90 E127 C128L89-R131 HydrophobicContact CD1-CB 4.12Å; L89-R131 HydrophobicContact CD1-CG 4.47Å; E90-R131 VanDerWaalsContact CD-NH1 3.29Å; E90-R131 IonicContact OE1-CZ 3.44Å; E90-R131 IonicContact OE1-NH1 3.58Å; E90-R131 PolarHBondContact OE1-NH1 3.33Å; E90-R131 VanDerWaalsContact OE1-NH1 3.09Å; E90-R131 IonicContact OE1-NH2 3.99Å; E90-R131 PolarHBondContact OE1-NH2 2.92Å; E90-R131 IonicContact OE2-CZ 3.09Å; E90-R131 IonicContact OE2-NH1 2.97Å; E90-R131 PolarHBondContact OE2-NH1 3.02Å; E90-R131 IonicContact OE2-NH2 2.7Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 2.97Å; E127-R131 IonicContact OE1-NH1 3.75Å; E127-R131 PolarHBondContact OE1-NH1 3.48Å; C128-R131 PolarHBondContact O-N 3.18Å
132F97.3Very high97.9Very high52 Ų5254.9 Ų54.923%0.22825%0.254CS..SBendtrans-140.8-106.4-174.6-62-72.5000109.9M18 E20 I23 L89 C128 L136M18-F132 VanDerWaalsContact O-CE1 3.3Å; M18-F132 WeakPolarHBondContact O-CE1 3.5Å; M18-F132 WeakPolarHBondContact O-CZ 3.47Å; E20-F132 HydrophobicContact CB-CD1 4.01Å; I23-F132 HydrophobicContact CD1-CD2 4.07Å; I23-F132 HydrophobicContact CD1-CE1 4.07Å; I23-F132 HydrophobicContact CD1-CE2 3.41Å; I23-F132 VanDerWaalsContact CD1-CE2 3.41Å; I23-F132 HydrophobicContact CD1-CZ 3.41Å; I23-F132 VanDerWaalsContact CD1-CZ 3.41Å; L89-F132 HydrophobicContact CD1-CD2 3.89Å; L89-F132 HydrophobicContact CD1-CE2 3.85Å; L89-F132 HydrophobicContact CD2-CD2 4.38Å; L89-F132 HydrophobicContact CD2-CE2 4.38Å; C128-F132 CarbonylContact O-C 3.58Å; C128-F132 VanDerWaalsContact O-C 3.3Å; C128-F132 WeakPolarHBondContact O-CA 3.39Å; C128-F132 PolarHBondContact O-N 2.74Å; F132-L136 HydrophobicContact CB-CB 4.33Å; F132-L136 HydrophobicContact CB-CD2 3.49Å; F132-L136 VanDerWaalsContact CB-CD2 3.49Å; F132-L136 HydrophobicContact CD1-CD2 4.34Å; F132-L136 HydrophobicContact CD2-CD2 3.54Å; F132-L136 HydrophobicContact CE2-CD2 4.35Å; F132-L136 HydrophobicContact CG-CD2 3.53Å
133S97.5Very high98.1Very high30 Ų3050.1 Ų50.121%0.2124%0.235CC..  trans-151.3158.1-175.765.80000112.3E20 C128 K135 L136 W137E20-S133 VanDerWaalsContact CD-OG 3.27Å; E20-S133 PolarHBondContact OE1-OG 3Å; E20-S133 WeakPolarHBondContact OE2-CB 3.24Å; E20-S133 PolarHBondContact OE2-OG 3.27Å; C128-S133 PolarHBondContact O-N 3.48Å; C128-S133 VanDerWaalsContact O-N 3.13Å; S133-K135 PolarHBondContact O-N 3.24Å; S133-L136 WeakPolarHBondContact O-CB 3.49Å; S133-L136 PolarHBondContact O-N 3.46Å; S133-L136 VanDerWaalsContact O-N 3.08Å; S133-L136 PolarHBondContact OG-N 3.37Å; S133-W137 PolarHBondContact O-N 3.12Å
134I98.3Very high98.1Very high70 Ų7048.9 Ų48.936%0.35922%0.222SC..Hα-helixtrans-61-31.3170.8-64.1168.3000110.7Y125 K129 L136 W137 K138Y125-I134 HydrophobicContact CE2-CG1 4.23Å; Y125-I134 HydrophobicContact CE2-CG2 4.04Å; Y125-I134 VanDerWaalsContact OH-CD1 3.32Å; Y125-I134 WeakPolarHBondContact OH-CD1 3.47Å; K129-I134 HydrophobicContact CB-CG1 4.32Å; K129-I134 HydrophobicContact CD-CD1 4.41Å; K129-I134 HydrophobicContact CD-CG1 4.37Å; K129-I134 HydrophobicContact CG-CG1 4.11Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.18Å; I134-W137 PolarHBondContact O-N 2.83Å; I134-K138 PolarHBondContact O-N 2.97Å; I134-K138 VanDerWaalsContact O-N 3.14Å
135K98.3Very high98.1Very high143 Ų14349.9 Ų49.962%0.62223%0.228SC*.Hα-helixtrans-64.7-33.1176.2-166.4-172.5171.9178.30111.3R24 S133 T139R24-K135 VanDerWaalsContact NH2-C 3.32Å; R24-K135 PolarHBondContact NH2-O 2.79Å; S133-K135 PolarHBondContact O-N 3.24Å; K135-T139 PolarHBondContact O-N 2.89Å; K135-T139 PolarHBondContact O-OG1 2.75Å
136L98.5Very high98.1Very high0 Ų049 Ų490%022%0.224CC..Hα-helixtrans-68.4-42.6175.1-174.764.5000111.5E20 I23 R24 F132 S133 I134 K138 T139 F140E20-L136 HydrophobicContact CG-CB 4.31Å; E20-L136 HydrophobicContact CG-CD1 4.01Å; E20-L136 HydrophobicContact CG-CD2 4.25Å; E20-L136 HydrophobicContact CG-CG 4.42Å; I23-L136 HydrophobicContact CB-CD1 4.09Å; I23-L136 HydrophobicContact CB-CD2 4.41Å; I23-L136 HydrophobicContact CD1-CD2 4.04Å; I23-L136 HydrophobicContact CG2-CD1 3.79Å; I23-L136 HydrophobicContact CG2-CD2 4.14Å; I23-L136 HydrophobicContact CG2-CG 4.35Å; R24-L136 HydrophobicContact CG-CD1 3.83Å; F132-L136 HydrophobicContact CB-CB 4.33Å; F132-L136 HydrophobicContact CB-CD2 3.49Å; F132-L136 VanDerWaalsContact CB-CD2 3.49Å; F132-L136 HydrophobicContact CD1-CD2 4.34Å; F132-L136 HydrophobicContact CD2-CD2 3.54Å; F132-L136 HydrophobicContact CE2-CD2 4.35Å; F132-L136 HydrophobicContact CG-CD2 3.53Å; S133-L136 WeakPolarHBondContact O-CB 3.49Å; S133-L136 PolarHBondContact O-N 3.46Å; S133-L136 VanDerWaalsContact O-N 3.08Å; S133-L136 PolarHBondContact OG-N 3.37Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.18Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.02Å; L136-T139 WeakPolarHBondContact O-CA 3.34Å; L136-T139 WeakPolarHBondContact O-CB 3.43Å; L136-T139 PolarHBondContact O-N 2.95Å; L136-F140 HydrophobicContact CD1-CE2 4.33Å; L136-F140 HydrophobicContact CD2-CE2 4.12Å; L136-F140 HydrophobicContact CG-CD2 4.14Å; L136-F140 HydrophobicContact CG-CE2 3.88Å; L136-F140 WeakPolarHBondContact O-CD2 3.14Å; L136-F140 PolarHBondContact O-N 3.37Å
137W98.7Very high98.1Very high29 Ų2945.2 Ų45.211%0.1120%0.204CC..Hα-helixtrans-57.1-44.4174.8173.277.5000112.1A116 N119 R120 F124 Y125 C128 S133 I134 T139 F140 T141A116-W137 HydrophobicContact CB-CH2 4.06Å; A116-W137 HydrophobicContact CB-CZ2 3.95Å; N119-W137 PolarHBondContact OD1-NE1 3.01Å; R120-W137 HydrophobicContact CB-CZ2 4.07Å; F124-W137 AromaticContact CD1-CD1 3.85Å; Y125-W137 HydrophobicContact CD2-CB 4.48Å; Y125-W137 AromaticContact CD2-CD2 3.5Å; Y125-W137 HydrophobicContact CD2-CD2 3.5Å; Y125-W137 AromaticContact CD2-CE2 3.77Å; Y125-W137 AromaticContact CD2-CE3 3.69Å; Y125-W137 HydrophobicContact CD2-CE3 3.69Å; Y125-W137 AromaticContact CD2-CG 3.86Å; Y125-W137 HydrophobicContact CD2-CG 3.86Å; Y125-W137 HydrophobicContact CD2-CH2 4.34Å; Y125-W137 HydrophobicContact CD2-CZ2 4.18Å; Y125-W137 HydrophobicContact CD2-CZ3 4.1Å; Y125-W137 HydrophobicContact CE2-CD2 4.25Å; Y125-W137 AromaticContact CE2-CE3 3.98Å; Y125-W137 HydrophobicContact CE2-CE3 3.98Å; Y125-W137 HydrophobicContact CE2-CZ3 4.28Å; Y125-W137 HydrophobicContact CG-CD2 4.47Å; C128-W137 HydrophobicContact CB-CB 3.77Å; S133-W137 PolarHBondContact O-N 3.12Å; I134-W137 PolarHBondContact O-N 2.83Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 2.92Å; W137-F140 WeakPolarHBondContact O-CB 3.38Å; W137-F140 PolarHBondContact O-N 2.99Å; W137-T141 PolarHBondContact O-N 3.25Å; W137-T141 PolarHBondContact O-OG1 3.06Å
138K98.4Very high98.1Very high123 Ų12344.7 Ų44.754%0.53520%0.202SC..Hα-helixtrans-58.4-39.4174-68.6-174.1176.3-172.30112.6I134 L136 F140 T141 D142I134-K138 PolarHBondContact O-N 2.97Å; I134-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.02Å; K138-F140 VanDerWaalsContact C-N 3.33Å; K138-F140 PolarHBondContact O-N 2.97Å; K138-T141 WeakPolarHBondContact O-CB 3.27Å; K138-T141 PolarHBondContact O-N 2.78Å; K138-D142 PolarHBondContact O-N 3.01Å
139T98.6Very high98.1Very high14 Ų1445.2 Ų45.29%0.08620%0.204CC..Hα-helixtrans-65.2-34.4175.3-600000112.7R24 C27 K135 L136 W137 C143R24-T139 HydrophobicContact CG-CG2 4.4Å; R24-T139 PolarHBondContact NH1-OG1 2.9Å; C27-T139 HydrophobicContact CB-CG2 3.78Å; K135-T139 PolarHBondContact O-N 2.89Å; K135-T139 PolarHBondContact O-OG1 2.75Å; L136-T139 WeakPolarHBondContact O-CA 3.34Å; L136-T139 WeakPolarHBondContact O-CB 3.43Å; L136-T139 PolarHBondContact O-N 2.95Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 2.92Å; T139-C143 PolarHBondContact O-N 2.86Å
140F98.7Very high98.1Very high1 Ų139.7 Ų39.70%0.00418%0.181CC..Hα-helixtrans-66.3-43.4169.7-80.7-71.4000112.1I23 C27 L89 I92 L96 F124 L136 W137 K138 D142 C143 F144I23-F140 HydrophobicContact CG2-CE1 4.14Å; I23-F140 HydrophobicContact CG2-CE2 3.62Å; I23-F140 HydrophobicContact CG2-CZ 3.25Å; C27-F140 WeakPolarHBondContact SG-CD1 3.36Å; C27-F140 WeakPolarHBondContact SG-CE1 3.45Å; L89-F140 HydrophobicContact CD2-CE2 3.58Å; L89-F140 HydrophobicContact CD2-CZ 3.86Å; I92-F140 HydrophobicContact CG1-CD1 4.47Å; I92-F140 HydrophobicContact CG1-CE1 4.2Å; I92-F140 HydrophobicContact CG2-CD1 4.29Å; I92-F140 HydrophobicContact CG2-CE1 3.54Å; I92-F140 HydrophobicContact CG2-CZ 3.9Å; L96-F140 HydrophobicContact CD1-CE1 4.26Å; F124-F140 HydrophobicContact CE1-CB 3.69Å; F124-F140 HydrophobicContact CE1-CD1 4.37Å; F124-F140 AromaticContact CE1-CD2 3.96Å; F124-F140 HydrophobicContact CE1-CD2 3.96Å; F124-F140 AromaticContact CE1-CG 3.78Å; F124-F140 HydrophobicContact CE1-CG 3.78Å; F124-F140 HydrophobicContact CZ-CB 4.05Å; F124-F140 AromaticContact CZ-CD1 3.94Å; F124-F140 HydrophobicContact CZ-CD1 3.94Å; F124-F140 AromaticContact CZ-CD2 3.54Å; F124-F140 HydrophobicContact CZ-CD2 3.54Å; F124-F140 HydrophobicContact CZ-CE1 4.22Å; F124-F140 AromaticContact CZ-CE2 3.83Å; F124-F140 HydrophobicContact CZ-CE2 3.83Å; F124-F140 AromaticContact CZ-CG 3.58Å; F124-F140 HydrophobicContact CZ-CG 3.58Å; F124-F140 HydrophobicContact CZ-CZ 4.15Å; L136-F140 HydrophobicContact CD1-CE2 4.33Å; L136-F140 HydrophobicContact CD2-CE2 4.12Å; L136-F140 HydrophobicContact CG-CD2 4.14Å; L136-F140 HydrophobicContact CG-CE2 3.88Å; L136-F140 WeakPolarHBondContact O-CD2 3.14Å; L136-F140 PolarHBondContact O-N 3.37Å; W137-F140 WeakPolarHBondContact O-CB 3.38Å; W137-F140 PolarHBondContact O-N 2.99Å; K138-F140 VanDerWaalsContact C-N 3.33Å; K138-F140 PolarHBondContact O-N 2.97Å; F140-D142 VanDerWaalsContact C-N 3.3Å; F140-D142 PolarHBondContact O-N 3.25Å; F140-C143 CarbonylContact O-C 3.58Å; F140-C143 WeakPolarHBondContact O-CA 3.46Å; F140-C143 WeakPolarHBondContact O-CB 3.37Å; F140-C143 PolarHBondContact O-N 3.43Å; F140-F144 HydrophobicContact CB-CE2 4.13Å; F140-F144 HydrophobicContact CB-CZ 4.17Å; F140-F144 HydrophobicContact CD1-CE1 4.27Å; F140-F144 HydrophobicContact CD1-CZ 4.1Å; F140-F144 HydrophobicContact CG-CZ 4.49Å; F140-F144 VanDerWaalsContact O-CG 3.25Å; F140-F144 WeakPolarHBondContact O-CG 3.23Å; F140-F144 PolarHBondContact O-N 3.24Å
141T98.5Very high98.2Very high15 Ų1531.3 Ų31.39%0.09215%0.149CC..Hα-helixtrans-55.1-45.9174.6-58.80000111.6A116 W137 K138 C143 F144 N145A116-T141 HydrophobicContact CB-CG2 3.79Å; W137-T141 PolarHBondContact O-N 3.25Å; W137-T141 PolarHBondContact O-OG1 3.06Å; K138-T141 WeakPolarHBondContact O-CB 3.27Å; K138-T141 PolarHBondContact O-N 2.78Å; T141-C143 PolarHBondContact O-N 3.11Å; T141-F144 PolarHBondContact O-N 3.44Å; T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 3.41Å; T141-N145 PolarHBondContact O-ND2 2.75Å
142D98.4Very high98.3Very high87 Ų8729.7 Ų29.747%0.46514%0.144SC..Hα-helixtrans-60.9-33.9177.4-65.1-30.1000112.5K138 F140K138-D142 PolarHBondContact O-N 3.01Å; F140-D142 VanDerWaalsContact C-N 3.3Å; F140-D142 PolarHBondContact O-N 3.25Å
143C98.7Very high98.4Very high1 Ų127.2 Ų27.21%0.00713%0.134CC..Hα-helixtrans-72.6-46.1174.3-176.40000111.9C27 S30 T139 F140 T141 N145 C146C27-C143 HydrophobicContact CB-CB 4.06Å; S30-C143 PolarHBondContact OG-SG 3.49Å; T139-C143 PolarHBondContact O-N 2.86Å; F140-C143 CarbonylContact O-C 3.58Å; F140-C143 WeakPolarHBondContact O-CA 3.46Å; F140-C143 WeakPolarHBondContact O-CB 3.37Å; F140-C143 PolarHBondContact O-N 3.43Å; T141-C143 PolarHBondContact O-N 3.11Å; C143-N145 VanDerWaalsContact C-N 3.31Å; C143-N145 PolarHBondContact O-N 3.32Å; C143-C146 WeakPolarHBondContact O-CB 3.46Å; C143-C146 PolarHBondContact O-N 2.87Å
144F98.5Very high98.4Very high1 Ų128.4 Ų28.40%0.00414%0.138CC..Hα-helixtrans-63.3-36.4-179.1-67.1-16.5000112.7V82 I92 R110 E114 F124 F140 T141 C146 L147V82-F144 HydrophobicContact CG1-CZ 4.04Å; V82-F144 HydrophobicContact CG2-CE2 4.37Å; I92-F144 HydrophobicContact CD1-CE1 3.84Å; I92-F144 HydrophobicContact CD1-CZ 4.38Å; I92-F144 HydrophobicContact CG1-CE1 3.76Å; I92-F144 HydrophobicContact CG1-CZ 4Å; R110-F144 PolarHBondContact NE-O 3.04Å; E114-F144 HydrophobicContact CB-CB 4Å; E114-F144 HydrophobicContact CB-CD1 4.36Å; E114-F144 HydrophobicContact CB-CD2 4.12Å; E114-F144 HydrophobicContact CB-CG 3.92Å; E114-F144 HydrophobicContact CG-CD1 3.97Å; E114-F144 HydrophobicContact CG-CD2 4.19Å; E114-F144 HydrophobicContact CG-CE1 4.17Å; E114-F144 HydrophobicContact CG-CE2 4.36Å; E114-F144 HydrophobicContact CG-CG 3.99Å; E114-F144 HydrophobicContact CG-CZ 4.36Å; E114-F144 WeakPolarHBondContact O-CB 3.35Å; F124-F144 HydrophobicContact CD1-CE2 4.14Å; F124-F144 AromaticContact CE1-CE2 3.67Å; F124-F144 HydrophobicContact CE1-CE2 3.67Å; F124-F144 AromaticContact CE1-CZ 3.88Å; F124-F144 HydrophobicContact CE1-CZ 3.88Å; F124-F144 HydrophobicContact CZ-CE2 4.48Å; F124-F144 HydrophobicContact CZ-CZ 4.25Å; F140-F144 HydrophobicContact CB-CE2 4.13Å; F140-F144 HydrophobicContact CB-CZ 4.17Å; F140-F144 HydrophobicContact CD1-CE1 4.27Å; F140-F144 HydrophobicContact CD1-CZ 4.1Å; F140-F144 HydrophobicContact CG-CZ 4.49Å; F140-F144 VanDerWaalsContact O-CG 3.25Å; F140-F144 WeakPolarHBondContact O-CG 3.23Å; F140-F144 PolarHBondContact O-N 3.24Å; T141-F144 PolarHBondContact O-N 3.44Å; F144-C146 PolarHBondContact O-N 2.88Å; F144-L147 HydrophobicContact CB-CD1 4.4Å; F144-L147 HydrophobicContact CD1-CD1 4.08Å; F144-L147 PolarHBondContact O-N 3.01Å; F144-L147 VanDerWaalsContact O-N 3.08Å
145N97.9Very high98.4Very high21 Ų2132.7 Ų32.711%0.11216%0.156CC..THydrogen-bonded Turntrans-61.7-12174.7-71.8-11.8000113.7R110 T141 C143 P180 T181R110-N145 PolarHBondContact NH2-OD1 2.9Å; T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 3.41Å; T141-N145 PolarHBondContact O-ND2 2.75Å; C143-N145 VanDerWaalsContact C-N 3.31Å; C143-N145 PolarHBondContact O-N 3.32Å; N145-P180 HydrophobicContact CB-CB 3.82Å; N145-P180 VanDerWaalsContact O-CA 3.27Å; N145-P180 WeakPolarHBondContact O-CA 3.46Å; N145-T181 WeakPolarHBondContact CA-O 3.36Å; N145-T181 WeakPolarHBondContact CB-O 3.43Å; N145-T181 PolarHBondContact O-N 3.27Å; N145-T181 PolarHBondContact OD1-O 3.11Å
146C98.5Very high98.4Very high0 Ų028 Ų280%014%0.136CC..THydrogen-bonded Turntrans-104.2-4.1177.8-64.30000114.1R31 F34 L35 C143 F144 R179R31-C146 HydrophobicContact CG-CB 4.07Å; F34-C146 HydrophobicContact CB-CB 4.23Å; F34-C146 VanDerWaalsContact CB-O 3.23Å; F34-C146 WeakPolarHBondContact CB-O 3.44Å; L35-C146 HydrophobicContact CD2-CB 4.1Å; L35-C146 HydrophobicContact CG-CB 4.06Å; C143-C146 WeakPolarHBondContact O-CB 3.46Å; C143-C146 PolarHBondContact O-N 2.87Å; F144-C146 PolarHBondContact O-N 2.88Å; C146-R179 VanDerWaalsContact O-CD 3.28Å; C146-R179 WeakPolarHBondContact O-CD 3.15Å; C146-R179 PolarHBondContact O-NH1 2.89Å
147L98.6Very high98.4Very high3 Ų328.3 Ų28.32%0.01614%0.137CC..SBendtrans-60.6143.8178.8-75.7164.5000111.6F34 Y81 L108 R110 E114 F144F34-L147 HydrophobicContact CD1-CD2 4.18Å; F34-L147 HydrophobicContact CD2-CD2 4.11Å; F34-L147 HydrophobicContact CE1-CD2 3.67Å; F34-L147 HydrophobicContact CE2-CD2 3.62Å; F34-L147 HydrophobicContact CE2-CG 4.35Å; F34-L147 HydrophobicContact CG-CD2 4.4Å; F34-L147 HydrophobicContact CZ-CD2 3.38Å; Y81-L147 HydrophobicContact CE2-CD1 4.19Å; L108-L147 HydrophobicContact CB-CD2 4.01Å; R110-L147 HydrophobicContact CB-CB 3.73Å; R110-L147 HydrophobicContact CB-CD1 4.31Å; R110-L147 HydrophobicContact CG-CB 4.08Å; R110-L147 HydrophobicContact CG-CD1 4.15Å; E114-L147 HydrophobicContact CB-CD1 3.94Å; E114-L147 HydrophobicContact CG-CD1 3.79Å; F144-L147 HydrophobicContact CB-CD1 4.4Å; F144-L147 HydrophobicContact CD1-CD1 4.08Å; F144-L147 PolarHBondContact O-N 3.01Å; F144-L147 VanDerWaalsContact O-N 3.08Å
148P98.2Very high98.4Very high2 Ų227.1 Ų27.11%0.01313%0.133CC..  trans-64.3153.2167.729.5-33.4000110.3I39 L41 L108 L109 R110I39-P148 WeakPolarHBondContact O-CA 3.41Å; I39-P148 VanDerWaalsContact O-CB 3.27Å; I39-P148 WeakPolarHBondContact O-CB 2.99Å; L41-P148 HydrophobicContact CD1-CB 4.22Å; L41-P148 HydrophobicContact CD1-CG 3.83Å; L41-P148 HydrophobicContact CD2-CB 4.27Å; L41-P148 HydrophobicContact CD2-CG 4.35Å; L41-P148 HydrophobicContact CG-CB 3.93Å; L41-P148 HydrophobicContact CG-CG 4.07Å; L108-P148 VanDerWaalsContact O-CD 3.26Å; L108-P148 WeakPolarHBondContact O-CD 3.34Å; L108-P148 WeakPolarHBondContact O-CG 3.39Å; L109-P148 CarbonylContact C-O 3.3Å; L109-P148 WeakPolarHBondContact CA-O 3.17Å; L109-P148 HydrophobicContact CD2-CB 4.27Å; L109-P148 HydrophobicContact CD2-CG 4.05Å; R110-P148 PolarHBondContact N-O 3.43Å
149I97.5Very high98.4Very high10 Ų1021.2 Ų21.25%0.05111%0.107CC..  trans-104.4-21.2-171.972.2175.7000113.5I39 I174 I177 I189 F191I39-I149 HydrophobicContact CD1-CD1 4.38Å; I39-I149 HydrophobicContact CD1-CG1 4.35Å; I39-I149 HydrophobicContact CD1-CG2 3.95Å; I39-I149 HydrophobicContact CG1-CG1 4.18Å; I39-I149 HydrophobicContact CG1-CG2 4.07Å; I39-I149 PolarHBondContact O-N 3.33Å; I149-I174 HydrophobicContact CD1-CG1 4.45Å; I149-I174 HydrophobicContact CD1-CG2 3.69Å; I149-I174 HydrophobicContact CG1-CG2 3.65Å; I149-I177 HydrophobicContact CD1-CD1 3.42Å; I149-I177 VanDerWaalsContact CD1-CD1 3.42Å; I149-I189 HydrophobicContact CD1-CG1 4.12Å; I149-F191 HydrophobicContact CB-CE1 4.34Å; I149-F191 HydrophobicContact CB-CZ 4.31Å; I149-F191 HydrophobicContact CG2-CZ 4.07Å
150A98.3Very high98.4Very high2 Ų221 Ų212%0.01711%0.106CC..EExtended strand (participates in β ladder)trans-151.5163.5-179.900000111L40 L41 F158 C159 C160 I174L40-A150 WeakPolarHBondContact CA-O 3.37Å; L40-A150 HydrophobicContact CD1-CB 3.63Å; L41-A150 PolarHBondContact N-O 2.61Å; A150-F158 HydrophobicContact CB-CE2 3.8Å; A150-F158 HydrophobicContact CB-CZ 3.96Å; A150-C159 CarbonylContact C-O 3.6Å; A150-C159 WeakPolarHBondContact CA-O 3.31Å; A150-C159 WeakPolarHBondContact CB-O 3.3Å; A150-C160 HydrophobicContact CB-CB 4.44Å; A150-I174 HydrophobicContact CB-CD1 4.31Å
151A98.7Very high98.3Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-135154.3169.100000110.6L41 L43 L76 L109 C159L41-A151 HydrophobicContact CB-CB 3.83Å; L41-A151 CarbonylContact O-C 3.23Å; L41-A151 VanDerWaalsContact O-CA 3.23Å; L41-A151 WeakPolarHBondContact O-CA 3.2Å; L43-A151 HydrophobicContact CD1-CB 3.88Å; L43-A151 HydrophobicContact CG-CB 4.36Å; L76-A151 HydrophobicContact CD1-CB 4.25Å; L76-A151 HydrophobicContact CD2-CB 3.97Å; L109-A151 HydrophobicContact CD1-CB 4.44Å; L109-A151 HydrophobicContact CD2-CB 4.26Å; A151-C159 HydrophobicContact CB-CB 4.17Å; A151-C159 PolarHBondContact N-O 3.39Å; A151-C159 PolarHBondContact O-N 3.36Å
152I98.7Very high98.1Very high20 Ų2020.3 Ų20.310%0.10310%0.102CC..EExtended strand (participates in β ladder)trans-120.8126.8166.2-63.6172.6000107.2L40 L41 E42 L43 I157 F158 M171 L227L40-I152 HydrophobicContact CD1-CD1 4.27Å; L40-I152 HydrophobicContact CD1-CG1 4.12Å; L40-I152 HydrophobicContact CD2-CD1 4.1Å; L40-I152 HydrophobicContact CG-CD1 4.46Å; L41-I152 PolarHBondContact O-N 3.34Å; E42-I152 WeakPolarHBondContact CA-O 3.37Å; L43-I152 PolarHBondContact N-O 2.8Å; I152-I157 CarbonylContact C-O 3.54Å; I152-I157 VanDerWaalsContact CA-O 3.31Å; I152-I157 WeakPolarHBondContact CA-O 3.23Å; I152-F158 HydrophobicContact CG1-CD2 4.04Å; I152-M171 HydrophobicContact CD1-CE 4.35Å; I152-M171 HydrophobicContact CD1-CG 4.25Å; I152-M171 HydrophobicContact CD1-SD 4.23Å; I152-L227 HydrophobicContact CG2-CD2 4.26Å
153I98.6Very high97.8Very high0 Ų016.7 Ų16.70%09%0.085CC..EExtended strand (participates in β ladder)trans-102.5124.1177.1-58.2160.2000108.4L43 A45 L47 I49 L76 E155 K156 I157L43-I153 HydrophobicContact CB-CG1 4.17Å; L43-I153 CarbonylContact O-C 3.6Å; L43-I153 VanDerWaalsContact O-CA 3.3Å; L43-I153 WeakPolarHBondContact O-CA 3.36Å; A45-I153 HydrophobicContact CB-CG2 4.49Å; L47-I153 HydrophobicContact CD1-CD1 3.93Å; L47-I153 HydrophobicContact CD1-CG1 4.32Å; L47-I153 HydrophobicContact CD2-CD1 3.97Å; L47-I153 HydrophobicContact CD2-CG1 4.09Å; L47-I153 HydrophobicContact CD2-CG2 3.61Å; L47-I153 HydrophobicContact CG-CD1 4.29Å; I49-I153 HydrophobicContact CD1-CD1 3.34Å; I49-I153 HydrophobicContact CG1-CD1 4.23Å; L76-I153 HydrophobicContact CD2-CD1 4.17Å; I153-E155 PolarHBondContact O-N 3.1Å; I153-K156 PolarHBondContact O-N 3.22Å; I153-I157 HydrophobicContact CB-CB 4.17Å; I153-I157 PolarHBondContact N-O 2.75Å; I153-I157 PolarHBondContact O-N 3.24Å
154D98.1Very high97.6Very high55 Ų5516.7 Ų16.729%0.2949%0.085SC..THydrogen-bonded Turntrans46.139.4177.5-65.4-61.1000113.1L43 A45 K156 L275L43-D154 PolarHBondContact O-N 3.1Å; A45-D154 WeakPolarHBondContact CB-OD2 3.39Å; A45-D154 PolarHBondContact N-OD2 2.89Å; D154-K156 WeakPolarHBondContact O-CG 3.18Å; D154-K156 PolarHBondContact O-N 2.82Å; D154-L275 HydrophobicContact CB-CD1 4.27Å; D154-L275 HydrophobicContact CB-CD2 3.64Å; D154-L275 HydrophobicContact CB-CG 4.48Å; D154-L275 VanDerWaalsContact OD2-CD2 3.31Å; D154-L275 WeakPolarHBondContact OD2-CD2 3.13Å
155E97.9Very high97.4Very high159 Ų15916.9 Ų16.974%0.7439%0.087SC*.THydrogen-bonded Turntrans57.211.2-178.1-55.5-176.917200115.3I153 L227I153-E155 PolarHBondContact O-N 3.1Å; E155-L227 WeakPolarHBondContact O-CD2 3.25Å
156K98.3Very high97.2Very high46 Ų4617.4 Ų17.420%0.29%0.091CC..THydrogen-bonded Turntrans-125.2-27-172-67.5-57.5175.5-171.90115.4I153 D154 D226 D228 L229 L275I153-K156 PolarHBondContact O-N 3.22Å; D154-K156 WeakPolarHBondContact O-CG 3.18Å; D154-K156 PolarHBondContact O-N 2.82Å; K156-D226 VanDerWaalsContact NZ-CG 3.31Å; K156-D226 PolarHBondContact NZ-O 2.94Å; K156-D226 IonicContact NZ-OD1 2.75Å; K156-D226 IonicContact NZ-OD2 3.92Å; K156-D226 PolarHBondContact NZ-OD2 3.49Å; K156-D228 HydrophobicContact CB-CB 4.4Å; K156-D228 WeakPolarHBondContact CD-OD2 3.4Å; K156-D228 PolarHBondContact O-N 3.11Å; K156-L229 PolarHBondContact O-N 3.03Å; K156-L275 HydrophobicContact CB-CD1 3.93Å; K156-L275 HydrophobicContact CG-CD1 3.91Å
157I98.6Very high96.9Very high5 Ų521 Ų213%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-115.7110.6-178.5-47.4176.5000110.2I152 I153 L229 C231 V271I152-I157 CarbonylContact C-O 3.54Å; I152-I157 VanDerWaalsContact CA-O 3.31Å; I152-I157 WeakPolarHBondContact CA-O 3.23Å; I153-I157 HydrophobicContact CB-CB 4.17Å; I153-I157 PolarHBondContact N-O 2.75Å; I153-I157 PolarHBondContact O-N 3.24Å; I157-L229 CarbonylContact C-O 3.49Å; I157-L229 WeakPolarHBondContact CA-O 3.42Å; I157-L229 HydrophobicContact CD1-CD2 4.39Å; I157-L229 HydrophobicContact CG1-CB 4.29Å; I157-L229 HydrophobicContact CG1-CD2 4.49Å; I157-L229 HydrophobicContact CG2-CB 4.15Å; I157-L229 HydrophobicContact CG2-CD2 4.03Å; I157-L229 HydrophobicContact CG2-CG 4.13Å; I157-C231 HydrophobicContact CG2-CB 3.92Å; I157-V271 HydrophobicContact CD1-CG1 3.95Å; I157-V271 HydrophobicContact CD1-CG2 4.15Å
158F98.6Very high96.7Very high4 Ų421.3 Ų21.32%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-85.6126.8173.1176-97.2000110.6L40 A150 I152 C160 L164 L168 M171 I174 F221 L227 L229 I230 C231L40-F158 HydrophobicContact CD1-CE2 4.45Å; A150-F158 HydrophobicContact CB-CE2 3.8Å; A150-F158 HydrophobicContact CB-CZ 3.96Å; I152-F158 HydrophobicContact CG1-CD2 4.04Å; F158-C160 HydrophobicContact CE1-CB 4.01Å; F158-C160 HydrophobicContact CZ-CB 4.25Å; F158-L164 HydrophobicContact CE1-CD2 4.36Å; F158-L168 HydrophobicContact CZ-CD2 4.41Å; F158-M171 HydrophobicContact CD2-CE 3.79Å; F158-M171 HydrophobicContact CD2-SD 4.14Å; F158-M171 HydrophobicContact CE2-CE 4.07Å; F158-M171 HydrophobicContact CE2-SD 3.94Å; F158-M171 HydrophobicContact CG-CE 4.49Å; F158-I174 HydrophobicContact CE2-CD1 3.95Å; F158-I174 HydrophobicContact CZ-CD1 4.12Å; F158-F221 HydrophobicContact CB-CE1 4.29Å; F158-F221 HydrophobicContact CD1-CE1 4.04Å; F158-F221 HydrophobicContact CD1-CZ 4.12Å; F158-F221 HydrophobicContact CD2-CZ 4.42Å; F158-F221 HydrophobicContact CE1-CZ 4.26Å; F158-F221 HydrophobicContact CG-CE1 4.11Å; F158-F221 HydrophobicContact CG-CZ 4.2Å; F158-F221 HydrophobicContact CZ-CZ 4.47Å; F158-L227 HydrophobicContact CB-CD1 3.69Å; F158-L229 PolarHBondContact N-O 3.39Å; F158-I230 HydrophobicContact CD1-CG2 4.38Å; F158-I230 CarbonylContact O-C 3.54Å; F158-I230 WeakPolarHBondContact O-CA 3.45Å; F158-C231 PolarHBondContact O-N 2.96Å
159C98.6Very high96.4Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-118.8129.7-175.8-58.60000111.4L76 L78 L109 A150 A151 C231L76-C159 HydrophobicContact CD2-CB 3.8Å; L78-C159 HydrophobicContact CD2-CB 3.86Å; L109-C159 HydrophobicContact CD1-CB 4.24Å; A150-C159 CarbonylContact C-O 3.6Å; A150-C159 WeakPolarHBondContact CA-O 3.31Å; A150-C159 WeakPolarHBondContact CB-O 3.3Å; A151-C159 HydrophobicContact CB-CB 4.17Å; A151-C159 PolarHBondContact N-O 3.39Å; A151-C159 PolarHBondContact O-N 3.36Å; C159-C231 VanDerWaalsContact CA-O 3.24Å; C159-C231 WeakPolarHBondContact CA-O 3.03Å
160C98Very high96.3Very high9 Ų927.8 Ų27.86%0.06115%0.147CC..EExtended strand (participates in β ladder)trans-152.1171.4171.167.60000110.4A150 F158 G163 C231 R232A150-C160 HydrophobicContact CB-CB 4.44Å; F158-C160 HydrophobicContact CE1-CB 4.01Å; F158-C160 HydrophobicContact CZ-CB 4.25Å; C160-G163 PolarHBondContact SG-O 3.32Å; C160-C231 PolarHBondContact N-O 3.34Å; C160-R232 WeakPolarHBondContact O-CA 3.24Å; C160-R232 WeakPolarHBondContact O-CB 3.28Å
161H97.4Very high96.2Very high0 Ų028.4 Ų28.40%015%0.15CC..SBendtrans-72-64177.9-172.459000112.8D52 L78 D80 R110 G111 N112 F191 A233 H234D52-H161 IonicContact OD1-CE1 3.21Å; D52-H161 PolarHBondContact OD1-CE1 2.89Å; D52-H161 IonicContact OD1-ND1 3.79Å; D52-H161 IonicContact OD2-CE1 2.76Å; L78-H161 WeakPolarHBondContact O-CA 3.49Å; L78-H161 VanDerWaalsContact O-CB 3.24Å; L78-H161 WeakPolarHBondContact O-CB 3.32Å; L78-H161 PolarHBondContact O-ND1 3.37Å; D80-H161 IonicContact OD1-CD2 3.32Å; D80-H161 IonicContact OD1-CE1 3.34Å; D80-H161 IonicContact OD1-NE2 3.91Å; D80-H161 PolarHBondContact OD1-NE2 2.84Å; D80-H161 IonicContact OD2-CD2 2.72Å; D80-H161 IonicContact OD2-CE1 3.89Å; D80-H161 PolarHBondContact OD2-CE1 2.87Å; D80-H161 IonicContact OD2-NE2 2.82Å; D80-H161 PolarHBondContact OD2-NE2 2.93Å; R110-H161 WeakPolarHBondContact O-CB 3.09Å; G111-H161 VanDerWaalsContact CA-CD2 3.44Å; G111-H161 WeakPolarHBondContact CA-CD2 3.46Å; G111-H161 VanDerWaalsContact CA-CG 3.45Å; N112-H161 PolarHBondContact N-CD2 3.23Å; N112-H161 PolarHBondContact OD1-CD2 2.93Å; N112-H161 PolarHBondContact OD1-NE2 2.82Å; H161-F191 HydrophobicContact CB-CD1 4.16Å; H161-A233 CarbonylContact O-C 3.44Å; H161-A233 PolarHBondContact O-N 3.06Å; H161-H234 AromaticContact CD2-ND1 3.98Å; H161-H234 AromaticContact NE2-CG 3.92Å; H161-H234 AromaticContact NE2-ND1 3.56Å
162G93.5Very high96.1Very high1 Ų132.2 Ų32.21%0.0117%0.168CC..SBendtrans-76.9-92-176.800000111.3F191 T193 R232G162-F191 VanDerWaalsContact CA-O 3.24Å; G162-F191 WeakPolarHBondContact CA-O 3.42Å; G162-T193 CarbonylContact C-O 3.5Å; G162-T193 WeakPolarHBondContact CA-O 3.37Å; G162-R232 WeakPolarHBondContact O-CB 3.35Å; G162-R232 VanDerWaalsContact O-CZ 3.23Å; G162-R232 PolarHBondContact O-NE 3.09Å; G162-R232 PolarHBondContact O-NH2 2.99Å
163G93.5Very high96Very high11 Ų1134.2 Ų34.211%0.11318%0.177CC..  trans-172.5-145179.700000112.2C160 T193C160-G163 PolarHBondContact SG-O 3.32Å; G163-T193 VanDerWaalsContact CA-OG1 3.26Å; G163-T193 WeakPolarHBondContact CA-OG1 3.17Å; G163-T193 PolarHBondContact N-OG1 3.5Å
164L94.7Very high95.9Very high2 Ų234.4 Ų34.41%0.0118%0.178CC..  trans-78.9163.9-178.9-59.6-177.6000111.3F158 T193 W202 F213 V217 F221 I230F158-L164 HydrophobicContact CE1-CD2 4.36Å; L164-T193 PolarHBondContact N-OG1 2.94Å; L164-T193 WeakPolarHBondContact O-CB 3.16Å; L164-T193 WeakPolarHBondContact O-CG2 3.27Å; L164-T193 PolarHBondContact O-OG1 2.69Å; L164-W202 HydrophobicContact CB-CH2 3.72Å; L164-W202 HydrophobicContact CB-CZ3 4.48Å; L164-F213 HydrophobicContact CB-CD1 4.43Å; L164-F213 HydrophobicContact CB-CE1 4.4Å; L164-F213 HydrophobicContact CB-CZ 4.5Å; L164-F213 HydrophobicContact CD1-CD2 4.32Å; L164-F213 HydrophobicContact CD1-CE2 4.29Å; L164-F213 HydrophobicContact CG-CE2 4.28Å; L164-F213 HydrophobicContact CG-CZ 4.36Å; L164-V217 HydrophobicContact CD1-CG1 3.87Å; L164-F221 HydrophobicContact CD1-CB 3.74Å; L164-F221 HydrophobicContact CD1-CD1 4.34Å; L164-F221 HydrophobicContact CD1-CD2 4.27Å; L164-F221 HydrophobicContact CD1-CG 3.87Å; L164-F221 HydrophobicContact CD2-CD1 3.78Å; L164-F221 HydrophobicContact CD2-CD2 3.73Å; L164-F221 HydrophobicContact CD2-CE1 3.75Å; L164-F221 HydrophobicContact CD2-CE2 3.71Å; L164-F221 HydrophobicContact CD2-CG 3.75Å; L164-F221 HydrophobicContact CD2-CZ 3.69Å; L164-F221 HydrophobicContact CG-CG 4.46Å; L164-I230 HydrophobicContact CD1-CD1 3.77Å; L164-I230 HydrophobicContact CD2-CD1 3.76Å; L164-I230 HydrophobicContact CG-CD1 3.94Å
165S93.6Very high95.9Very high5 Ų536.3 Ų36.34%0.03518%0.181CC..  trans-126141.4171.3165.50000109.9D167 L168 G187 Q190 W202S165-D167 PolarHBondContact O-N 3.33Å; S165-D167 PolarHBondContact OG-N 2.83Å; S165-D167 VanDerWaalsContact OG-N 3.1Å; S165-L168 WeakPolarHBondContact O-CB 3.5Å; S165-L168 PolarHBondContact O-N 2.94Å; S165-L168 VanDerWaalsContact O-N 3.09Å; S165-G187 PolarHBondContact OG-O 3.15Å; S165-G187 VanDerWaalsContact OG-O 3.09Å; S165-Q190 PolarHBondContact OG-NE2 3.07Å; S165-Q190 VanDerWaalsContact OG-NE2 3.1Å; S165-W202 VanDerWaalsContact C-CZ2 3.45Å
166P92.6Very high95.8Very high31 Ų3137.7 Ų37.720%0.20118%0.179CC..THydrogen-bonded Turntrans-61.3-23.3172.625.2-33.6000112.2L168 Q169 W202 F211P166-L168 VanDerWaalsContact C-N 3.34Å; P166-Q169 PolarHBondContact O-NE2 3.09Å; P166-W202 HydrophobicContact CB-CD2 3.97Å; P166-W202 HydrophobicContact CB-CE3 4.5Å; P166-W202 HydrophobicContact CB-CG 4.36Å; P166-W202 HydrophobicContact CB-CH2 4.46Å; P166-W202 HydrophobicContact CB-CZ2 3.91Å; P166-W202 HydrophobicContact CG-CD2 4.36Å; P166-W202 HydrophobicContact CG-CE3 4.45Å; P166-F211 HydrophobicContact CG-CD2 3.7Å; P166-F211 HydrophobicContact CG-CE2 3.57Å; P166-F211 HydrophobicContact CG-CG 4.48Å; P166-F211 HydrophobicContact CG-CZ 4.24Å
167D92.4Very high95.6Very high76 Ų7637 Ų3741%0.40618%0.177SC..THydrogen-bonded Turntrans-84-10.1179.2-57.8-39.7000112.8S165 Q169 Q173 G187 I188S165-D167 PolarHBondContact O-N 3.33Å; S165-D167 PolarHBondContact OG-N 2.83Å; S165-D167 VanDerWaalsContact OG-N 3.1Å; D167-Q169 PolarHBondContact O-N 3.41Å; D167-Q173 PolarHBondContact O-NE2 2.94Å; D167-Q173 PolarHBondContact O-OE1 3Å; D167-G187 VanDerWaalsContact OD2-CA 3.32Å; D167-G187 WeakPolarHBondContact OD2-CA 3.44Å; D167-I188 HydrophobicContact CB-CG1 4.09Å
168L94.1Very high95.5Very high9 Ų944.1 Ų44.15%0.04721%0.212CC..  trans-86.497.1-179.6-175.662000110.8F158 S165 P166 S170 I174 I188 F221F158-L168 HydrophobicContact CZ-CD2 4.41Å; S165-L168 WeakPolarHBondContact O-CB 3.5Å; S165-L168 PolarHBondContact O-N 2.94Å; S165-L168 VanDerWaalsContact O-N 3.09Å; P166-L168 VanDerWaalsContact C-N 3.34Å; L168-S170 WeakPolarHBondContact CD1-O 3.05Å; L168-I174 HydrophobicContact CD1-CD1 3.9Å; L168-I174 HydrophobicContact CD1-CG1 3.79Å; L168-I174 HydrophobicContact CD2-CD1 4.08Å; L168-I188 HydrophobicContact CD1-CG2 4.12Å; L168-F221 HydrophobicContact CD2-CE2 3.72Å; L168-F221 HydrophobicContact CD2-CZ 4.18Å; L168-F221 HydrophobicContact CG-CE2 4.2Å
169Q93.7Very high95.4Very high98 Ų9845.9 Ų45.946%0.45822%0.219SC..SBendtrans-104.1-28.6177.1-54.5-58.5-43.400112.6P166 D167 H225P166-Q169 PolarHBondContact O-NE2 3.09Å; D167-Q169 PolarHBondContact O-N 3.41Å; Q169-H225 PolarHBondContact O-CE1 3.37Å; Q169-H225 VanDerWaalsContact O-CE1 3.32Å
170S95Very high95.3Very high50 Ų5049.4 Ų49.435%0.3524%0.242SC..  trans-142.8142.8179.5175.40000111.4L168 E172 Q173L168-S170 WeakPolarHBondContact CD1-O 3.05Å; S170-E172 PolarHBondContact O-N 2.96Å; S170-E172 PolarHBondContact OG-N 2.9Å; S170-Q173 VanDerWaalsContact O-CB 3.27Å; S170-Q173 WeakPolarHBondContact O-CB 3.23Å; S170-Q173 PolarHBondContact O-N 3.11Å
171M96.6Very high95.1Very high15 Ų1551 Ų517%0.07425%0.251CS..Hα-helixtrans-60.3-24.4174-62.6-58.2175.200112.6L40 I152 F158 Q173 I174 R175 F221 H225 L227L40-M171 HydrophobicContact CD2-CB 3.87Å; L40-M171 HydrophobicContact CD2-CG 4.44Å; L40-M171 HydrophobicContact CD2-SD 4.46Å; I152-M171 HydrophobicContact CD1-CE 4.35Å; I152-M171 HydrophobicContact CD1-CG 4.25Å; I152-M171 HydrophobicContact CD1-SD 4.23Å; F158-M171 HydrophobicContact CD2-CE 3.79Å; F158-M171 HydrophobicContact CD2-SD 4.14Å; F158-M171 HydrophobicContact CE2-CE 4.07Å; F158-M171 HydrophobicContact CE2-SD 3.94Å; F158-M171 HydrophobicContact CG-CE 4.49Å; M171-Q173 PolarHBondContact O-N 3.28Å; M171-I174 WeakPolarHBondContact O-CB 3.3Å; M171-I174 PolarHBondContact O-N 3.01Å; M171-I174 HydrophobicContact SD-CD1 4.18Å; M171-R175 PolarHBondContact O-N 2.96Å; M171-R175 VanDerWaalsContact O-N 3.11Å; M171-F221 HydrophobicContact CE-CE1 4.15Å; M171-F221 HydrophobicContact CE-CE2 4.15Å; M171-F221 HydrophobicContact CE-CZ 3.45Å; M171-F221 VanDerWaalsContact CE-CZ 3.45Å; M171-H225 HydrophobicContact CE-CB 4.18Å; M171-L227 HydrophobicContact CE-CD1 3.98Å
172E96.6Very high94.8Very high80 Ų8054.9 Ų54.937%0.37427%0.272SS..Hα-helixtrans-59.2-29.5172.4-72.4-54.1111.200112.8S170 I174 R175 R176S170-E172 PolarHBondContact O-N 2.96Å; S170-E172 PolarHBondContact OG-N 2.9Å; E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 PolarHBondContact O-N 3.46Å; E172-R175 PolarHBondContact O-N 3.47Å; E172-R175 WeakPolarHBondContact OE1-CD 3.47Å; E172-R175 IonicContact OE1-CZ 3.65Å; E172-R175 IonicContact OE1-NE 3.6Å; E172-R175 IonicContact OE1-NH1 3.17Å; E172-R175 PolarHBondContact OE1-NH1 3.27Å; E172-R176 WeakPolarHBondContact O-CB 3.3Å; E172-R176 VanDerWaalsContact O-CG 3.25Å; E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 2.96Å
173Q95.8Very high94.2Very high62 Ų6256.6 Ų56.629%0.2928%0.282SS..Hα-helixtrans-66.5-34.2176.5-63.3175.5-92.200111.5D167 S170 M171 I188D167-Q173 PolarHBondContact O-NE2 2.94Å; D167-Q173 PolarHBondContact O-OE1 3Å; S170-Q173 VanDerWaalsContact O-CB 3.27Å; S170-Q173 WeakPolarHBondContact O-CB 3.23Å; S170-Q173 PolarHBondContact O-N 3.11Å; M171-Q173 PolarHBondContact O-N 3.28Å; Q173-I188 HydrophobicContact CB-CD1 3.6Å; Q173-I188 HydrophobicContact CB-CG1 4.45Å; Q173-I188 HydrophobicContact CG-CD1 4.41Å
174I96.4Very high93.6Very high4 Ų458.8 Ų58.82%0.02129%0.294CS..Hα-helixtrans-68.6-48.9171.9-65.1172.8000109.8I39 L40 I149 A150 F158 L168 M171 E172 R176 I177 I188I39-I174 HydrophobicContact CG2-CG2 4.27Å; I39-I174 WeakPolarHBondContact CG2-O 3.37Å; L40-I174 HydrophobicContact CB-CG2 3.8Å; L40-I174 HydrophobicContact CD1-CG2 4.36Å; I149-I174 HydrophobicContact CD1-CG1 4.45Å; I149-I174 HydrophobicContact CD1-CG2 3.69Å; I149-I174 HydrophobicContact CG1-CG2 3.65Å; A150-I174 HydrophobicContact CB-CD1 4.31Å; F158-I174 HydrophobicContact CE2-CD1 3.95Å; F158-I174 HydrophobicContact CZ-CD1 4.12Å; L168-I174 HydrophobicContact CD1-CD1 3.9Å; L168-I174 HydrophobicContact CD1-CG1 3.79Å; L168-I174 HydrophobicContact CD2-CD1 4.08Å; M171-I174 WeakPolarHBondContact O-CB 3.3Å; M171-I174 PolarHBondContact O-N 3.01Å; M171-I174 HydrophobicContact SD-CD1 4.18Å; E172-I174 VanDerWaalsContact C-N 3.28Å; E172-I174 PolarHBondContact O-N 3.46Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-R176 VanDerWaalsContact O-N 3.15Å; I174-I177 WeakPolarHBondContact O-CB 3.27Å; I174-I177 PolarHBondContact O-N 3.29Å; I174-I177 VanDerWaalsContact O-N 3.07Å; I174-I188 HydrophobicContact CG1-CG2 4.01Å
175R97.2Very high92.6Very high95 Ų9565.9 Ų65.936%0.35833%0.333SS..Hα-helixtrans-58.6-29.9-176.8-66-169.1-177.591.61.6113.5L40 E42 M171 E172 I177L40-R175 HydrophobicContact CB-CG 4.09Å; L40-R175 HydrophobicContact CD2-CG 4.05Å; E42-R175 IonicContact OE1-CZ 3.64Å; E42-R175 IonicContact OE1-NE 2.74Å; E42-R175 IonicContact OE1-NH2 3.99Å; E42-R175 PolarHBondContact OE1-NH2 2.96Å; M171-R175 PolarHBondContact O-N 2.96Å; M171-R175 VanDerWaalsContact O-N 3.11Å; E172-R175 PolarHBondContact O-N 3.47Å; E172-R175 WeakPolarHBondContact OE1-CD 3.47Å; E172-R175 IonicContact OE1-CZ 3.65Å; E172-R175 IonicContact OE1-NE 3.6Å; E172-R175 IonicContact OE1-NH1 3.17Å; E172-R175 PolarHBondContact OE1-NH1 3.27Å; R175-I177 VanDerWaalsContact C-N 3.34Å
176R96Very high91.5Very high189 Ų18971 Ų7171%0.71336%0.364SS*.THydrogen-bonded Turntrans-80.7-6.9179.9-71.3173.4-174.4-163.71114.8E172 I174 M178E172-R176 WeakPolarHBondContact O-CB 3.3Å; E172-R176 VanDerWaalsContact O-CG 3.25Å; E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 2.96Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-R176 VanDerWaalsContact O-N 3.15Å; R176-M178 PolarHBondContact O-N 3.38Å
177I94.6Very high90.9Very high31 Ų3170.5 Ų70.516%0.15936%0.364CS..  trans-68.7121.7177.8-67.2165.1000109.1I39 I149 I174 R175 T181 I188 I189I39-I177 HydrophobicContact CD1-CB 3.66Å; I39-I177 HydrophobicContact CD1-CG2 3.46Å; I39-I177 VanDerWaalsContact CD1-CG2 3.46Å; I149-I177 HydrophobicContact CD1-CD1 3.42Å; I149-I177 VanDerWaalsContact CD1-CD1 3.42Å; I174-I177 WeakPolarHBondContact O-CB 3.27Å; I174-I177 PolarHBondContact O-N 3.29Å; I174-I177 VanDerWaalsContact O-N 3.07Å; R175-I177 VanDerWaalsContact C-N 3.34Å; I177-T181 HydrophobicContact CG2-CG2 4.13Å; I177-I188 HydrophobicContact CD1-CG2 4.31Å; I177-I189 HydrophobicContact CD1-CD1 4.1Å; I177-I189 HydrophobicContact CD1-CG1 3.75Å; I177-I189 HydrophobicContact CG2-CD1 3.93Å
178M95.8Very high90.4Very high155 Ų15569 Ų6976%0.76436%0.356SS*.  trans-80.1141.3179.2-64.9-59.5-65.800111R176 T181R176-M178 PolarHBondContact O-N 3.38Å; M178-T181 WeakPolarHBondContact O-CB 3.38Å
179R97.2Very high89.7Confident40 Ų4069.2 Ų69.215%0.15136%0.357CS..SBendtrans-118.6146.4173.9-70.2176.7-67.1161.35.8110.2F34 L35 Q37 I39 C146F34-R179 VanDerWaalsContact O-CZ 3.26Å; F34-R179 PolarHBondContact O-NH1 2.88Å; F34-R179 PolarHBondContact O-NH2 2.86Å; F34-R179 VanDerWaalsContact O-NH2 3.09Å; L35-R179 HydrophobicContact CD2-CB 3.68Å; Q37-R179 PolarHBondContact O-NH2 2.64Å; I39-R179 HydrophobicContact CD1-CG 3.79Å; I39-R179 HydrophobicContact CG1-CG 4.36Å; C146-R179 VanDerWaalsContact O-CD 3.28Å; C146-R179 WeakPolarHBondContact O-CD 3.15Å; C146-R179 PolarHBondContact O-NH1 2.89Å
180P97Very high89Confident74 Ų7465.5 Ų65.548%0.48134%0.339SS..SBendcis-70.71450.329.1-34.4000112.9N145N145-P180 HydrophobicContact CB-CB 3.82Å; N145-P180 VanDerWaalsContact O-CA 3.27Å; N145-P180 WeakPolarHBondContact O-CA 3.46Å
181T94.1Very high88.4Confident43 Ų4363.7 Ų63.726%0.26433%0.325SS..  trans-138.7147.2172.2-175.40000110.6R110 N145 I177 M178 I189R110-T181 PolarHBondContact NH1-O 2.92Å; N145-T181 WeakPolarHBondContact CA-O 3.36Å; N145-T181 WeakPolarHBondContact CB-O 3.43Å; N145-T181 PolarHBondContact O-N 3.27Å; N145-T181 PolarHBondContact OD1-O 3.11Å; I177-T181 HydrophobicContact CG2-CG2 4.13Å; M178-T181 WeakPolarHBondContact O-CB 3.38Å; T181-I189 HydrophobicContact CG2-CD1 4.22Å
182D90Very high87.4Confident81 Ų8164.5 Ų64.543%0.43333%0.33SS..  trans-78.3172.3163.6-149.7-12.6000110C115 P184C115-D182 PolarHBondContact SG-OD1 3.31Å; D182-P184 WeakPolarHBondContact O-CD 3.29Å
183V82.2Confident86.7Confident37 Ų3760.7 Ų60.722%0.22431%0.312CS..  trans-84115.9175.4-173.70000108.8C115 I189 F191C115-V183 HydrophobicContact CB-CB 4.42Å; C115-V183 HydrophobicContact CB-CG2 3.72Å; V183-I189 HydrophobicContact CG1-CG2 4.19Å; V183-F191 HydrophobicContact CG1-CD2 3.75Å; V183-F191 HydrophobicContact CG1-CE2 4.05Å; V183-F191 HydrophobicContact CG2-CD2 3.94Å; V183-F191 HydrophobicContact CG2-CE2 3.69Å
184P80.7Confident86.3Confident57 Ų5758.8 Ų58.837%0.3730%0.302SS..  trans-73.5155.4177.432.8-35.7000111.1D182 T186 I189D182-P184 WeakPolarHBondContact O-CD 3.29Å; P184-T186 WeakPolarHBondContact CB-O 3.42Å; P184-T186 WeakPolarHBondContact CG-O 3.23Å; P184-T186 PolarHBondContact O-N 3.07Å; P184-I189 HydrophobicContact CG-CB 4.24Å
185D72.3Confident85.9Confident152 Ų15259.3 Ų59.381%0.81331%0.306SS*.SBendtrans-67.3-22.3175.6-62.8-34.3000112.6
186T71.6Confident85.6Confident113 Ų11356.8 Ų56.869%0.69330%0.299SS*.SBendtrans-142158.5-177.761.50000111.7P184P184-T186 WeakPolarHBondContact CB-O 3.42Å; P184-T186 WeakPolarHBondContact CG-O 3.23Å; P184-T186 PolarHBondContact O-N 3.07Å
187G79.4Confident85.4Confident20 Ų2055.1 Ų55.121%0.20630%0.297CS..SBendtrans120.9-151.7171.700000113.4S165 D167 Q190S165-G187 PolarHBondContact OG-O 3.15Å; S165-G187 VanDerWaalsContact OG-O 3.09Å; D167-G187 VanDerWaalsContact OD2-CA 3.32Å; D167-G187 WeakPolarHBondContact OD2-CA 3.44Å; G187-Q190 WeakPolarHBondContact O-CG 3.28Å; G187-Q190 PolarHBondContact O-NE2 3.47Å
188I81.6Confident85.3Confident44 Ų4460.2 Ų60.223%0.22633%0.325CS..SBendtrans-74.3-35-177.3-65.7145.2000112.1D167 L168 Q173 I174 I177 Q190D167-I188 HydrophobicContact CB-CG1 4.09Å; L168-I188 HydrophobicContact CD1-CG2 4.12Å; Q173-I188 HydrophobicContact CB-CD1 3.6Å; Q173-I188 HydrophobicContact CB-CG1 4.45Å; Q173-I188 HydrophobicContact CG-CD1 4.41Å; I174-I188 HydrophobicContact CG1-CG2 4.01Å; I177-I188 HydrophobicContact CD1-CG2 4.31Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; I188-Q190 PolarHBondContact O-N 3.22Å
189I79.5Confident85.1Confident14 Ų1454.1 Ų54.17%0.07230%0.296CS..  trans-76.987.7-179.6-54.3179.5000108.4I149 I177 T181 V183 P184 F191I149-I189 HydrophobicContact CD1-CG1 4.12Å; I177-I189 HydrophobicContact CD1-CD1 4.1Å; I177-I189 HydrophobicContact CD1-CG1 3.75Å; I177-I189 HydrophobicContact CG2-CD1 3.93Å; T181-I189 HydrophobicContact CG2-CD1 4.22Å; V183-I189 HydrophobicContact CG1-CG2 4.19Å; P184-I189 HydrophobicContact CG-CB 4.24Å; I189-F191 HydrophobicContact CG2-CD2 3.76Å; I189-F191 HydrophobicContact CG2-CE1 4.13Å; I189-F191 HydrophobicContact CG2-CE2 3.16Å; I189-F191 HydrophobicContact CG2-CG 4.45Å; I189-F191 HydrophobicContact CG2-CZ 3.38Å
190Q79.6Confident84.9Confident19 Ų1960.7 Ų60.79%0.08933%0.329CS..  trans-11984.6179.6-58.7-157.527.500110.9S165 G187 I188 L192 T193 S210S165-Q190 PolarHBondContact OG-NE2 3.07Å; S165-Q190 VanDerWaalsContact OG-NE2 3.1Å; G187-Q190 WeakPolarHBondContact O-CG 3.28Å; G187-Q190 PolarHBondContact O-NE2 3.47Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; I188-Q190 PolarHBondContact O-N 3.22Å; Q190-L192 PolarHBondContact O-N 3.02Å; Q190-T193 HydrophobicContact CB-CG2 3.94Å; Q190-T193 PolarHBondContact O-OG1 3.08Å; Q190-S210 WeakPolarHBondContact CB-OG 3.1Å; Q190-S210 PolarHBondContact OE1-OG 2.97Å
191F81.1Confident84.9Confident12 Ų1258 Ų585%0.05331%0.314CS..THydrogen-bonded Turntrans-75.4-9.2179.6-61.1-55000113.9R110 N112 I149 H161 G162 V183 I189R110-F191 HydrophobicContact CB-CE1 4.21Å; R110-F191 HydrophobicContact CB-CZ 3.84Å; R110-F191 HydrophobicContact CG-CE2 4.2Å; R110-F191 HydrophobicContact CG-CZ 3.95Å; R110-F191 WeakPolarHBondContact O-CD1 3.5Å; R110-F191 WeakPolarHBondContact O-CE1 3.26Å; N112-F191 HydrophobicContact CB-CB 3.66Å; I149-F191 HydrophobicContact CB-CE1 4.34Å; I149-F191 HydrophobicContact CB-CZ 4.31Å; I149-F191 HydrophobicContact CG2-CZ 4.07Å; H161-F191 HydrophobicContact CB-CD1 4.16Å; G162-F191 VanDerWaalsContact CA-O 3.24Å; G162-F191 WeakPolarHBondContact CA-O 3.42Å; V183-F191 HydrophobicContact CG1-CD2 3.75Å; V183-F191 HydrophobicContact CG1-CE2 4.05Å; V183-F191 HydrophobicContact CG2-CD2 3.94Å; V183-F191 HydrophobicContact CG2-CE2 3.69Å; I189-F191 HydrophobicContact CG2-CD2 3.76Å; I189-F191 HydrophobicContact CG2-CE1 4.13Å; I189-F191 HydrophobicContact CG2-CE2 3.16Å; I189-F191 HydrophobicContact CG2-CG 4.45Å; I189-F191 HydrophobicContact CG2-CZ 3.38Å
192L76.6Confident84.9Confident32 Ų3260.2 Ų60.217%0.16832%0.318CS..THydrogen-bonded Turntrans-105.90.8-176.4-61.4179.7000113.3N112 Q190 N205 V209 H234N112-L192 HydrophobicContact CB-CD2 3.68Å; N112-L192 HydrophobicContact CB-CG 4.36Å; Q190-L192 PolarHBondContact O-N 3.02Å; L192-N205 PolarHBondContact O-ND2 2.78Å; L192-V209 HydrophobicContact CD1-CB 3.81Å; L192-V209 HydrophobicContact CD1-CG1 3.83Å; L192-V209 HydrophobicContact CD1-CG2 4.47Å; L192-H234 WeakPolarHBondContact CD2-CE1 3.23Å
193T82.6Confident85Confident0 Ų057.2 Ų57.20%031%0.306CS..  trans-68147.3172490000111.4G162 G163 L164 Q190 W202 S210 F211 R232G162-T193 CarbonylContact C-O 3.5Å; G162-T193 WeakPolarHBondContact CA-O 3.37Å; G163-T193 VanDerWaalsContact CA-OG1 3.26Å; G163-T193 WeakPolarHBondContact CA-OG1 3.17Å; G163-T193 PolarHBondContact N-OG1 3.5Å; L164-T193 PolarHBondContact N-OG1 2.94Å; L164-T193 WeakPolarHBondContact O-CB 3.16Å; L164-T193 WeakPolarHBondContact O-CG2 3.27Å; L164-T193 PolarHBondContact O-OG1 2.69Å; Q190-T193 HydrophobicContact CB-CG2 3.94Å; Q190-T193 PolarHBondContact O-OG1 3.08Å; T193-W202 HydrophobicContact CG2-CZ3 4.45Å; T193-S210 WeakPolarHBondContact CG2-OG 3.42Å; T193-S210 PolarHBondContact N-OG 3.09Å; T193-F211 VanDerWaalsContact CA-O 3.23Å; T193-F211 WeakPolarHBondContact CA-O 3.44Å; T193-F211 WeakPolarHBondContact CB-O 3.16Å; T193-F211 HydrophobicContact CG2-CB 4.17Å; T193-F211 VanDerWaalsContact CG2-O 3.31Å; T193-F211 WeakPolarHBondContact CG2-O 3.4Å; T193-R232 PolarHBondContact O-NH2 3.46Å
194Y86.4Confident85.4Confident22 Ų2263.9 Ų63.99%0.08634%0.335CS..EExtended strand (participates in β ladder)trans-147153.5174.161.1-98.1000112.9N205 F211 T212 F213 Q235Y194-N205 WeakPolarHBondContact CD1-ND2 3.3Å; Y194-N205 VanDerWaalsContact CE1-CG 3.45Å; Y194-N205 VanDerWaalsContact CE1-ND2 3.31Å; Y194-N205 WeakPolarHBondContact CE1-ND2 3.29Å; Y194-N205 VanDerWaalsContact CE1-OD1 3.23Å; Y194-N205 WeakPolarHBondContact CE1-OD1 3.32Å; Y194-F211 PolarHBondContact N-O 3.45Å; Y194-T212 HydrophobicContact CD1-CG2 4.49Å; Y194-T212 HydrophobicContact CD2-CG2 3.87Å; Y194-T212 HydrophobicContact CE1-CG2 4.04Å; Y194-T212 HydrophobicContact CE2-CG2 3.32Å; Y194-T212 HydrophobicContact CG-CG2 4.41Å; Y194-T212 WeakPolarHBondContact O-CA 3.25Å; Y194-F213 VanDerWaalsContact C-CE1 3.43Å; Y194-F213 WeakPolarHBondContact O-CD1 3.5Å; Y194-F213 PolarHBondContact O-N 3.43Å; Y194-F213 VanDerWaalsContact O-N 3.17Å; Y194-Q235 VanDerWaalsContact CD2-NE2 3.3Å
195P87.9Confident85.7Confident15 Ų1561.7 Ų61.710%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-68.6139176.628.8-36000111.5F213 F244 L249P195-F213 WeakPolarHBondContact CA-O 3.19Å; P195-F213 HydrophobicContact CB-CE2 3.95Å; P195-F213 HydrophobicContact CB-CZ 4.16Å; P195-F244 HydrophobicContact CB-CD1 3.58Å; P195-F244 HydrophobicContact CB-CD2 3.96Å; P195-F244 HydrophobicContact CB-CE1 3.56Å; P195-F244 HydrophobicContact CB-CE2 3.93Å; P195-F244 HydrophobicContact CB-CG 3.77Å; P195-F244 HydrophobicContact CB-CZ 3.72Å; P195-F244 HydrophobicContact CG-CG 4.39Å; P195-L249 HydrophobicContact CB-CD1 4.45Å; P195-L249 HydrophobicContact CB-CD2 4.49Å; P195-L249 HydrophobicContact CG-CD2 3.98Å
196D92Very high86.2Confident42 Ų4261.7 Ų61.723%0.22532%0.32CS..  trans-132.2125.8172.7-170.2-23.1000109.5D198 V199 T212 F213 G214D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.88Å; D196-D198 PolarHBondContact OD1-N 3.46Å; D196-V199 HydrophobicContact CB-CB 4.1Å; D196-V199 HydrophobicContact CB-CG2 3.8Å; D196-T212 HydrophobicContact CB-CG2 4.28Å; D196-F213 PolarHBondContact N-O 3.24Å; D196-G214 WeakPolarHBondContact O-CA 3.44Å
197K91.4Very high86.7Confident155 Ų15562.9 Ų62.967%0.67431%0.312SS*.THydrogen-bonded Turntrans-74-23-176.667.2-177.7-178.6-177.40112.5F244K197-F244 HydrophobicContact CB-CE2 3.93Å
198D92.4Very high86.7Confident137 Ų13765.3 Ų65.373%0.73334%0.337SS*.THydrogen-bonded Turntrans-94.5-1.6-174.4-60.9-47.6000111.6D196D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.88Å; D196-D198 PolarHBondContact OD1-N 3.46Å
199V91.4Very high86.5Confident28 Ų2866.4 Ų66.417%0.1735%0.345CS..  trans-99.5136.4176.4172.40000111D196 G214D196-V199 HydrophobicContact CB-CB 4.1Å; D196-V199 HydrophobicContact CB-CG2 3.8Å; V199-G214 WeakPolarHBondContact O-CA 3.38Å
200Q93.7Very high86.8Confident177 Ų17767 Ų6783%0.82735%0.351SS*.SBendtrans-106.4123.1166.3-174.5176.79.200109.3
201G96.3Very high87.3Confident17 Ų1769.9 Ų69.918%0.17536%0.363CS..SBendtrans76.2-128.4-171.700000111.7F213 G214 D216 V217G201-F213 WeakPolarHBondContact O-CA 3.32Å; G201-G214 PolarHBondContact O-N 2.85Å; G201-D216 PolarHBondContact N-OD1 3.03Å; G201-V217 VanDerWaalsContact C-CG2 3.49Å; G201-V217 WeakPolarHBondContact O-CG2 3.47Å
202W94.8Very high87.9Confident91 Ų9169.4 Ų69.435%0.34536%0.361SS..EExtended strand (participates in β ladder)trans-108.8138179.3-61.594.7000110.2L164 S165 P166 T193 F211 T212 F213 V217L164-W202 HydrophobicContact CB-CH2 3.72Å; L164-W202 HydrophobicContact CB-CZ3 4.48Å; S165-W202 VanDerWaalsContact C-CZ2 3.45Å; P166-W202 HydrophobicContact CB-CD2 3.97Å; P166-W202 HydrophobicContact CB-CE3 4.5Å; P166-W202 HydrophobicContact CB-CG 4.36Å; P166-W202 HydrophobicContact CB-CH2 4.46Å; P166-W202 HydrophobicContact CB-CZ2 3.91Å; P166-W202 HydrophobicContact CG-CD2 4.36Å; P166-W202 HydrophobicContact CG-CE3 4.45Å; T193-W202 HydrophobicContact CG2-CZ3 4.45Å; W202-F211 HydrophobicContact CE3-CB 3.69Å; W202-F211 HydrophobicContact CE3-CG 4.27Å; W202-F211 HydrophobicContact CZ3-CB 4.26Å; W202-T212 CarbonylContact C-O 3.53Å; W202-T212 WeakPolarHBondContact CA-O 3.5Å; W202-F213 HydrophobicContact CD2-CB 4.4Å; W202-F213 HydrophobicContact CE3-CB 3.78Å; W202-F213 HydrophobicContact CH2-CB 4.24Å; W202-F213 HydrophobicContact CZ3-CB 3.69Å; W202-F213 HydrophobicContact CZ3-CD1 4.05Å; W202-F213 HydrophobicContact CZ3-CG 4.19Å; W202-V217 HydrophobicContact CH2-CG1 3.99Å; W202-V217 HydrophobicContact CZ2-CG1 3.55Å
203G92.4Very high88.8Confident18 Ų1867.9 Ų67.919%0.18635%0.353CS..EExtended strand (participates in β ladder)trans-122169.5175.900000111.8F211 T212G203-F211 WeakPolarHBondContact O-CA 3.29Å; G203-T212 WeakPolarHBondContact CA-OG1 3.4Å; G203-T212 PolarHBondContact N-O 3.41Å; G203-T212 PolarHBondContact O-N 2.92Å; G203-T212 PolarHBondContact O-OG1 3.31Å
204E89.6Confident89.5Confident177 Ų17767.9 Ų67.983%0.82735%0.353SS*.EExtended strand (participates in β ladder)trans-68.3153169.8-66.7-174.2175.500110.3T212E204-T212 WeakPolarHBondContact O-CG2 3.4Å; E204-T212 PolarHBondContact O-OG1 2.99Å
205N86.2Confident90.1Very high10 Ų1069 Ų695%0.05336%0.363CS..  trans-105.7122179.1-172.7-43.9000109.3L192 Y194 R207 G208 V209 S210 F211L192-N205 PolarHBondContact O-ND2 2.78Å; Y194-N205 WeakPolarHBondContact CD1-ND2 3.3Å; Y194-N205 VanDerWaalsContact CE1-CG 3.45Å; Y194-N205 VanDerWaalsContact CE1-ND2 3.31Å; Y194-N205 WeakPolarHBondContact CE1-ND2 3.29Å; Y194-N205 VanDerWaalsContact CE1-OD1 3.23Å; Y194-N205 WeakPolarHBondContact CE1-OD1 3.32Å; N205-R207 PolarHBondContact O-N 2.72Å; N205-R207 WeakPolarHBondContact OD1-CB 3.36Å; N205-R207 WeakPolarHBondContact OD1-CG 3.47Å; N205-R207 PolarHBondContact OD1-N 3.15Å; N205-G208 PolarHBondContact O-N 3.2Å; N205-V209 VanDerWaalsContact CB-O 3.31Å; N205-V209 WeakPolarHBondContact CB-O 3.14Å; N205-V209 PolarHBondContact ND2-O 3.32Å; N205-S210 VanDerWaalsContact CB-O 3.3Å; N205-S210 WeakPolarHBondContact CB-O 3.47Å; N205-F211 PolarHBondContact ND2-O 3.39Å
206D83.7Confident90.5Very high153 Ų15370.1 Ų70.182%0.81837%0.368SS*.THydrogen-bonded Turntrans-61.7-16.3-177.5-65.2-29.9000113.3G208D206-G208 PolarHBondContact O-N 3.23Å
207R81.6Confident90.8Very high138 Ų13868.8 Ų68.852%0.52136%0.361SS..THydrogen-bonded Turntrans-76.2-4.2173.5-56176.8177.8-111.76.5112.8N205 V209N205-R207 PolarHBondContact O-N 2.72Å; N205-R207 WeakPolarHBondContact OD1-CB 3.36Å; N205-R207 WeakPolarHBondContact OD1-CG 3.47Å; N205-R207 PolarHBondContact OD1-N 3.15Å; R207-V209 VanDerWaalsContact C-N 3.28Å; R207-V209 PolarHBondContact O-N 3.43Å
208G79.6Confident91.1Very high71 Ų7161.4 Ų61.473%0.73233%0.329SS*.SBendtrans78.15.3177.600000114.9N205 D206N205-G208 PolarHBondContact O-N 3.2Å; D206-G208 PolarHBondContact O-N 3.23Å
209V77.7Confident91.3Very high66 Ų6658.4 Ų58.440%0.432%0.316SS..SBendtrans-139.1142.4179.1-177.10000108.5L192 N205 R207L192-V209 HydrophobicContact CD1-CB 3.81Å; L192-V209 HydrophobicContact CD1-CG1 3.83Å; L192-V209 HydrophobicContact CD1-CG2 4.47Å; N205-V209 VanDerWaalsContact CB-O 3.31Å; N205-V209 WeakPolarHBondContact CB-O 3.14Å; N205-V209 PolarHBondContact ND2-O 3.32Å; R207-V209 VanDerWaalsContact C-N 3.28Å; R207-V209 PolarHBondContact O-N 3.43Å
210S85.1Confident91.6Very high27 Ų2763.1 Ų63.119%0.18934%0.335CS..SBendtrans66.8-160.2178.2-166.90000112.7Q190 T193 N205Q190-S210 WeakPolarHBondContact CB-OG 3.1Å; Q190-S210 PolarHBondContact OE1-OG 2.97Å; T193-S210 WeakPolarHBondContact CG2-OG 3.42Å; T193-S210 PolarHBondContact N-OG 3.09Å; N205-S210 VanDerWaalsContact CB-O 3.3Å; N205-S210 WeakPolarHBondContact CB-O 3.47Å
211F90.4Very high91.8Very high80 Ų8055.3 Ų55.335%0.35130%0.298SS..EExtended strand (participates in β ladder)trans-128.6162.2-170.6-56.9-80.5000112.5P166 T193 Y194 W202 G203 N205P166-F211 HydrophobicContact CG-CD2 3.7Å; P166-F211 HydrophobicContact CG-CE2 3.57Å; P166-F211 HydrophobicContact CG-CG 4.48Å; P166-F211 HydrophobicContact CG-CZ 4.24Å; T193-F211 VanDerWaalsContact CA-O 3.23Å; T193-F211 WeakPolarHBondContact CA-O 3.44Å; T193-F211 WeakPolarHBondContact CB-O 3.16Å; T193-F211 HydrophobicContact CG2-CB 4.17Å; T193-F211 VanDerWaalsContact CG2-O 3.31Å; T193-F211 WeakPolarHBondContact CG2-O 3.4Å; Y194-F211 PolarHBondContact N-O 3.45Å; W202-F211 HydrophobicContact CE3-CB 3.69Å; W202-F211 HydrophobicContact CE3-CG 4.27Å; W202-F211 HydrophobicContact CZ3-CB 4.26Å; G203-F211 WeakPolarHBondContact O-CA 3.29Å; N205-F211 PolarHBondContact ND2-O 3.39Å
212T94.1Very high91.9Very high2 Ų255 Ų551%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-98.2156.5159.250.50000109.9Y194 D196 W202 G203 E204Y194-T212 HydrophobicContact CD1-CG2 4.49Å; Y194-T212 HydrophobicContact CD2-CG2 3.87Å; Y194-T212 HydrophobicContact CE1-CG2 4.04Å; Y194-T212 HydrophobicContact CE2-CG2 3.32Å; Y194-T212 HydrophobicContact CG-CG2 4.41Å; Y194-T212 WeakPolarHBondContact O-CA 3.25Å; D196-T212 HydrophobicContact CB-CG2 4.28Å; W202-T212 CarbonylContact C-O 3.53Å; W202-T212 WeakPolarHBondContact CA-O 3.5Å; G203-T212 WeakPolarHBondContact CA-OG1 3.4Å; G203-T212 PolarHBondContact N-O 3.41Å; G203-T212 PolarHBondContact O-N 2.92Å; G203-T212 PolarHBondContact O-OG1 3.31Å; E204-T212 WeakPolarHBondContact O-CG2 3.4Å; E204-T212 PolarHBondContact O-OG1 2.99Å
213F96Very high92.1Very high0 Ų055.9 Ų55.90%031%0.308CS..EExtended strand (participates in β ladder)trans-140.4139.6178.659.2-90.9000113.6L164 Y194 P195 D196 G201 W202 V217 V218 L249L164-F213 HydrophobicContact CB-CD1 4.43Å; L164-F213 HydrophobicContact CB-CE1 4.4Å; L164-F213 HydrophobicContact CB-CZ 4.5Å; L164-F213 HydrophobicContact CD1-CD2 4.32Å; L164-F213 HydrophobicContact CD1-CE2 4.29Å; L164-F213 HydrophobicContact CG-CE2 4.28Å; L164-F213 HydrophobicContact CG-CZ 4.36Å; Y194-F213 VanDerWaalsContact C-CE1 3.43Å; Y194-F213 WeakPolarHBondContact O-CD1 3.5Å; Y194-F213 PolarHBondContact O-N 3.43Å; Y194-F213 VanDerWaalsContact O-N 3.17Å; P195-F213 WeakPolarHBondContact CA-O 3.19Å; P195-F213 HydrophobicContact CB-CE2 3.95Å; P195-F213 HydrophobicContact CB-CZ 4.16Å; D196-F213 PolarHBondContact N-O 3.24Å; G201-F213 WeakPolarHBondContact O-CA 3.32Å; W202-F213 HydrophobicContact CD2-CB 4.4Å; W202-F213 HydrophobicContact CE3-CB 3.78Å; W202-F213 HydrophobicContact CH2-CB 4.24Å; W202-F213 HydrophobicContact CZ3-CB 3.69Å; W202-F213 HydrophobicContact CZ3-CD1 4.05Å; W202-F213 HydrophobicContact CZ3-CG 4.19Å; F213-V217 HydrophobicContact CB-CB 4.07Å; F213-V217 HydrophobicContact CB-CG1 4.09Å; F213-V217 HydrophobicContact CB-CG2 4.24Å; F213-V218 HydrophobicContact CD2-CG2 3.87Å; F213-V218 HydrophobicContact CE2-CG2 3.68Å; F213-L249 HydrophobicContact CE2-CD1 3.79Å; F213-L249 HydrophobicContact CZ-CD1 4.02Å
214G97.4Very high92.3Very high0 Ų061.5 Ų61.50%032%0.323CS..  trans-79169.2-176.800000115.1D196 V199 G201 D216 V217 V218D196-G214 WeakPolarHBondContact O-CA 3.44Å; V199-G214 WeakPolarHBondContact O-CA 3.38Å; G201-G214 PolarHBondContact O-N 2.85Å; G214-D216 PolarHBondContact O-N 3.26Å; G214-V217 PolarHBondContact O-N 2.98Å; G214-V217 VanDerWaalsContact O-N 3.12Å; G214-V218 PolarHBondContact O-N 2.97Å
215P97.5Very high92.7Very high44 Ų4455.1 Ų55.129%0.28629%0.293SS..Hα-helixtrans-58.2-27.6172.9-22.833.3000114V218 T219 F244 A245P215-V218 PolarHBondContact O-N 2.7Å; P215-T219 PolarHBondContact O-N 3.39Å; P215-T219 PolarHBondContact O-OG1 2.76Å; P215-F244 HydrophobicContact CB-CE1 4.28Å; P215-F244 HydrophobicContact CB-CZ 4.3Å; P215-F244 HydrophobicContact CG-CE1 4.03Å; P215-F244 HydrophobicContact CG-CE2 4.16Å; P215-F244 HydrophobicContact CG-CZ 3.56Å; P215-A245 HydrophobicContact CB-CB 3.84Å
216D97.6Very high93.3Very high39 Ų3960 Ų6021%0.20932%0.32CS..Hα-helixtrans-71.1-34.5178.274.6-64.9000112G201 G214 T219 K220G201-D216 PolarHBondContact N-OD1 3.03Å; G214-D216 PolarHBondContact O-N 3.26Å; D216-T219 PolarHBondContact O-N 3.21Å; D216-K220 WeakPolarHBondContact O-CB 3.41Å; D216-K220 WeakPolarHBondContact O-CD 3.44Å; D216-K220 WeakPolarHBondContact O-CG 3.14Å; D216-K220 PolarHBondContact O-N 3.21Å; D216-K220 IonicContact OD2-NZ 3.82Å; D216-K220 PolarHBondContact OD2-NZ 3.42Å
217V97.6Very high94Very high14 Ų1453.3 Ų53.39%0.08528%0.284CS..Hα-helixtrans-65.5-44.8173.9-179.70000110.3L164 G201 W202 F213 G214 T219 K220 F221L164-V217 HydrophobicContact CD1-CG1 3.87Å; G201-V217 VanDerWaalsContact C-CG2 3.49Å; G201-V217 WeakPolarHBondContact O-CG2 3.47Å; W202-V217 HydrophobicContact CH2-CG1 3.99Å; W202-V217 HydrophobicContact CZ2-CG1 3.55Å; F213-V217 HydrophobicContact CB-CB 4.07Å; F213-V217 HydrophobicContact CB-CG1 4.09Å; F213-V217 HydrophobicContact CB-CG2 4.24Å; G214-V217 PolarHBondContact O-N 2.98Å; G214-V217 VanDerWaalsContact O-N 3.12Å; V217-T219 PolarHBondContact O-N 2.83Å; V217-K220 PolarHBondContact O-N 3.07Å; V217-F221 WeakPolarHBondContact O-CB 3.41Å; V217-F221 PolarHBondContact O-N 3.08Å
218V97.8Very high94.8Very high0 Ų051.3 Ų51.30%028%0.283CS..Hα-helixtrans-56.9-50.5174.9173.70000110.6F213 G214 P215 K220 F221 L222 I230 F244 A245 L249F213-V218 HydrophobicContact CD2-CG2 3.87Å; F213-V218 HydrophobicContact CE2-CG2 3.68Å; G214-V218 PolarHBondContact O-N 2.97Å; P215-V218 PolarHBondContact O-N 2.7Å; V218-K220 PolarHBondContact O-N 2.91Å; V218-F221 PolarHBondContact O-N 3.02Å; V218-L222 HydrophobicContact CG1-CD1 3.9Å; V218-L222 HydrophobicContact CG1-CG 4.46Å; V218-L222 WeakPolarHBondContact O-CG 3.41Å; V218-L222 PolarHBondContact O-N 3.28Å; V218-I230 HydrophobicContact CG1-CD1 4.04Å; V218-I230 HydrophobicContact CG2-CD1 4.42Å; V218-F244 HydrophobicContact CG2-CD1 4.06Å; V218-F244 HydrophobicContact CG2-CE1 3.87Å; V218-A245 HydrophobicContact CB-CB 4.03Å; V218-A245 HydrophobicContact CG1-CB 3.92Å; V218-A245 HydrophobicContact CG2-CB 4.4Å; V218-L249 HydrophobicContact CG1-CB 4.17Å; V218-L249 HydrophobicContact CG2-CB 4.48Å; V218-L249 HydrophobicContact CG2-CD1 4Å
219T97.8Very high95.7Very high74 Ų7448.8 Ų48.845%0.45425%0.253SS..Hα-helixtrans-59.8-48.8-179.4-54.50000111.3P215 D216 V217 F221 L222 T223P215-T219 PolarHBondContact O-N 3.39Å; P215-T219 PolarHBondContact O-OG1 2.76Å; D216-T219 PolarHBondContact O-N 3.21Å; V217-T219 PolarHBondContact O-N 2.83Å; T219-F221 VanDerWaalsContact C-N 3.33Å; T219-F221 PolarHBondContact O-N 2.78Å; T219-L222 PolarHBondContact O-N 3Å; T219-T223 WeakPolarHBondContact O-CB 3.44Å; T219-T223 PolarHBondContact O-N 3.38Å; T219-T223 PolarHBondContact O-OG1 3.35Å
220K97.6Very high96.7Very high128 Ų12845.7 Ų45.756%0.55723%0.234SC*.Hα-helixtrans-60.6-41.4179-74.5165.5-176.2160.30112.1D216 V217 V218 R224D216-K220 WeakPolarHBondContact O-CB 3.41Å; D216-K220 WeakPolarHBondContact O-CD 3.44Å; D216-K220 WeakPolarHBondContact O-CG 3.14Å; D216-K220 PolarHBondContact O-N 3.21Å; D216-K220 IonicContact OD2-NZ 3.82Å; D216-K220 PolarHBondContact OD2-NZ 3.42Å; V217-K220 PolarHBondContact O-N 3.07Å; V218-K220 PolarHBondContact O-N 2.91Å; K220-R224 WeakPolarHBondContact O-CB 3.42Å; K220-R224 PolarHBondContact O-N 2.99Å
221F98Very high97.3Very high13 Ų1344.4 Ų44.46%0.05723%0.225CC..Hα-helixtrans-64-50.2179.2178.5-92.7000111.6F158 L164 L168 M171 V217 V218 T219 T223 R224 H225 L227 I230F158-F221 HydrophobicContact CB-CE1 4.29Å; F158-F221 HydrophobicContact CD1-CE1 4.04Å; F158-F221 HydrophobicContact CD1-CZ 4.12Å; F158-F221 HydrophobicContact CD2-CZ 4.42Å; F158-F221 HydrophobicContact CE1-CZ 4.26Å; F158-F221 HydrophobicContact CG-CE1 4.11Å; F158-F221 HydrophobicContact CG-CZ 4.2Å; F158-F221 HydrophobicContact CZ-CZ 4.47Å; L164-F221 HydrophobicContact CD1-CB 3.74Å; L164-F221 HydrophobicContact CD1-CD1 4.34Å; L164-F221 HydrophobicContact CD1-CD2 4.27Å; L164-F221 HydrophobicContact CD1-CG 3.87Å; L164-F221 HydrophobicContact CD2-CD1 3.78Å; L164-F221 HydrophobicContact CD2-CD2 3.73Å; L164-F221 HydrophobicContact CD2-CE1 3.75Å; L164-F221 HydrophobicContact CD2-CE2 3.71Å; L164-F221 HydrophobicContact CD2-CG 3.75Å; L164-F221 HydrophobicContact CD2-CZ 3.69Å; L164-F221 HydrophobicContact CG-CG 4.46Å; L168-F221 HydrophobicContact CD2-CE2 3.72Å; L168-F221 HydrophobicContact CD2-CZ 4.18Å; L168-F221 HydrophobicContact CG-CE2 4.2Å; M171-F221 HydrophobicContact CE-CE1 4.15Å; M171-F221 HydrophobicContact CE-CE2 4.15Å; M171-F221 HydrophobicContact CE-CZ 3.45Å; M171-F221 VanDerWaalsContact CE-CZ 3.45Å; V217-F221 WeakPolarHBondContact O-CB 3.41Å; V217-F221 PolarHBondContact O-N 3.08Å; V218-F221 PolarHBondContact O-N 3.02Å; T219-F221 VanDerWaalsContact C-N 3.33Å; T219-F221 PolarHBondContact O-N 2.78Å; F221-T223 PolarHBondContact O-N 3.5Å; F221-R224 PolarHBondContact O-N 3.06Å; F221-H225 AromaticContact CD2-CD2 3.65Å; F221-H225 AromaticContact CD2-NE2 3.99Å; F221-H225 AromaticContact CE2-CD2 3.53Å; F221-H225 AromaticContact CE2-NE2 3.8Å; F221-H225 AromaticContact CZ-CD2 3.9Å; F221-H225 PolarHBondContact O-CD2 2.73Å; F221-H225 VanDerWaalsContact O-CD2 3.27Å; F221-H225 PolarHBondContact O-N 2.82Å; F221-H225 VanDerWaalsContact O-N 3.13Å; F221-L227 HydrophobicContact CD1-CD1 4.33Å; F221-L227 HydrophobicContact CE1-CD1 3.67Å; F221-L227 HydrophobicContact CZ-CD1 4.39Å; F221-I230 HydrophobicContact CD1-CD1 3.83Å; F221-I230 HydrophobicContact CD1-CG1 4.29Å; F221-I230 HydrophobicContact CE1-CD1 4.27Å; F221-I230 HydrophobicContact CE1-CG1 4.42Å
222L98.3Very high97.7Very high9 Ų940.6 Ų40.65%0.04721%0.208CC..Hα-helixtrans-61-47.2179.8-71.5176.6000111.8V218 T219 R224 H225 D226 L227 I230V218-L222 HydrophobicContact CG1-CD1 3.9Å; V218-L222 HydrophobicContact CG1-CG 4.46Å; V218-L222 WeakPolarHBondContact O-CG 3.41Å; V218-L222 PolarHBondContact O-N 3.28Å; T219-L222 PolarHBondContact O-N 3Å; L222-R224 VanDerWaalsContact C-N 3.34Å; L222-R224 PolarHBondContact O-N 2.92Å; L222-H225 PolarHBondContact O-N 3.23Å; L222-D226 PolarHBondContact O-N 2.86Å; L222-L227 WeakPolarHBondContact CB-O 3.16Å; L222-L227 HydrophobicContact CD2-CB 3.42Å; L222-L227 VanDerWaalsContact CD2-CB 3.42Å; L222-L227 HydrophobicContact CD2-CD1 4.35Å; L222-L227 PolarHBondContact O-N 3.21Å; L222-I230 HydrophobicContact CD2-CD1 4.49Å; L222-I230 HydrophobicContact CD2-CG1 3.81Å; L222-I230 HydrophobicContact CG-CG1 4.3Å
223T98Very high97.9Very high111 Ų11140.5 Ų40.568%0.68121%0.208SC*.Hα-helixtrans-61-41.7176.4-580000112.3T219 F221 H225T219-T223 WeakPolarHBondContact O-CB 3.44Å; T219-T223 PolarHBondContact O-N 3.38Å; T219-T223 PolarHBondContact O-OG1 3.35Å; F221-T223 PolarHBondContact O-N 3.5Å; T223-H225 VanDerWaalsContact C-N 3.28Å; T223-H225 PolarHBondContact O-N 3.37Å
224R97.8Very high97.8Very high135 Ų13541 Ų4151%0.50921%0.21SC..Hα-helixtrans-63.3-35.3-179.6177.3-175.4-65.2176.6-9.2112.6K220 F221 L222K220-R224 WeakPolarHBondContact O-CB 3.42Å; K220-R224 PolarHBondContact O-N 2.99Å; F221-R224 PolarHBondContact O-N 3.06Å; L222-R224 VanDerWaalsContact C-N 3.34Å; L222-R224 PolarHBondContact O-N 2.92Å
225H97.7Very high97.7Very high43 Ų4343 Ų4320%0.19922%0.22CC..Hα-helixtrans-105.97.9-173.1-65.5-60000113.8Q169 M171 F221 L222 T223 L227Q169-H225 PolarHBondContact O-CE1 3.37Å; Q169-H225 VanDerWaalsContact O-CE1 3.32Å; M171-H225 HydrophobicContact CE-CB 4.18Å; F221-H225 AromaticContact CD2-CD2 3.65Å; F221-H225 AromaticContact CD2-NE2 3.99Å; F221-H225 AromaticContact CE2-CD2 3.53Å; F221-H225 AromaticContact CE2-NE2 3.8Å; F221-H225 AromaticContact CZ-CD2 3.9Å; F221-H225 PolarHBondContact O-CD2 2.73Å; F221-H225 VanDerWaalsContact O-CD2 3.27Å; F221-H225 PolarHBondContact O-N 2.82Å; F221-H225 VanDerWaalsContact O-N 3.13Å; L222-H225 PolarHBondContact O-N 3.23Å; T223-H225 VanDerWaalsContact C-N 3.28Å; T223-H225 PolarHBondContact O-N 3.37Å; H225-L227 VanDerWaalsContact C-N 3.25Å; H225-L227 HydrophobicContact CB-CD1 3.74Å; H225-L227 HydrophobicContact CB-CG 3.94Å; H225-L227 PolarHBondContact O-N 3.47Å
226D98Very high97.6Very high114 Ų11443.1 Ų43.161%0.6122%0.219SC*.THydrogen-bonded Turntrans52.140.7-175.7-166.943.9000113.9K156 L222K156-D226 VanDerWaalsContact NZ-CG 3.31Å; K156-D226 PolarHBondContact NZ-O 2.94Å; K156-D226 IonicContact NZ-OD1 2.75Å; K156-D226 IonicContact NZ-OD2 3.92Å; K156-D226 PolarHBondContact NZ-OD2 3.49Å; L222-D226 PolarHBondContact O-N 2.86Å
227L98.3Very high97.5Very high12 Ų1241.7 Ų41.76%0.06321%0.212CC..  trans-102.8156.9178.8-64.5166.9000110.8I152 E155 F158 M171 F221 L222 H225I152-L227 HydrophobicContact CG2-CD2 4.26Å; E155-L227 WeakPolarHBondContact O-CD2 3.25Å; F158-L227 HydrophobicContact CB-CD1 3.69Å; M171-L227 HydrophobicContact CE-CD1 3.98Å; F221-L227 HydrophobicContact CD1-CD1 4.33Å; F221-L227 HydrophobicContact CE1-CD1 3.67Å; F221-L227 HydrophobicContact CZ-CD1 4.39Å; L222-L227 WeakPolarHBondContact CB-O 3.16Å; L222-L227 HydrophobicContact CD2-CB 3.42Å; L222-L227 VanDerWaalsContact CD2-CB 3.42Å; L222-L227 HydrophobicContact CD2-CD1 4.35Å; L222-L227 PolarHBondContact O-N 3.21Å; H225-L227 VanDerWaalsContact C-N 3.25Å; H225-L227 HydrophobicContact CB-CD1 3.74Å; H225-L227 HydrophobicContact CB-CG 3.94Å; H225-L227 PolarHBondContact O-N 3.47Å
228D98Very high97.4Very high96 Ų9648.5 Ų48.551%0.51324%0.243SC..SBendtrans-104.2-31.4179.7-66.2-21.6000112.9K156K156-D228 HydrophobicContact CB-CB 4.4Å; K156-D228 WeakPolarHBondContact CD-OD2 3.4Å; K156-D228 PolarHBondContact O-N 3.11Å
229L98.4Very high97.3Very high18 Ų1852.9 Ų52.99%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-146.1141.5-171.2-179.265.1000112.5K156 I157 F158 R247 V250 M269K156-L229 PolarHBondContact O-N 3.03Å; I157-L229 CarbonylContact C-O 3.49Å; I157-L229 WeakPolarHBondContact CA-O 3.42Å; I157-L229 HydrophobicContact CD1-CD2 4.39Å; I157-L229 HydrophobicContact CG1-CB 4.29Å; I157-L229 HydrophobicContact CG1-CD2 4.49Å; I157-L229 HydrophobicContact CG2-CB 4.15Å; I157-L229 HydrophobicContact CG2-CD2 4.03Å; I157-L229 HydrophobicContact CG2-CG 4.13Å; F158-L229 PolarHBondContact N-O 3.39Å; L229-R247 WeakPolarHBondContact CD1-O 3.15Å; L229-V250 HydrophobicContact CD1-CB 4.46Å; L229-V250 HydrophobicContact CD1-CG1 4.16Å; L229-V250 HydrophobicContact CD2-CG1 4.17Å; L229-V250 HydrophobicContact CG-CG1 4.41Å; L229-M269 HydrophobicContact CD2-CE 4.42Å
230I98.4Very high97.3Very high0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-101125.1161.9-58.3177.5000108.6F158 L164 V218 F221 L222 R232 S248 L249 V250F158-I230 HydrophobicContact CD1-CG2 4.38Å; F158-I230 CarbonylContact O-C 3.54Å; F158-I230 WeakPolarHBondContact O-CA 3.45Å; L164-I230 HydrophobicContact CD1-CD1 3.77Å; L164-I230 HydrophobicContact CD2-CD1 3.76Å; L164-I230 HydrophobicContact CG-CD1 3.94Å; V218-I230 HydrophobicContact CG1-CD1 4.04Å; V218-I230 HydrophobicContact CG2-CD1 4.42Å; F221-I230 HydrophobicContact CD1-CD1 3.83Å; F221-I230 HydrophobicContact CD1-CG1 4.29Å; F221-I230 HydrophobicContact CE1-CD1 4.27Å; F221-I230 HydrophobicContact CE1-CG1 4.42Å; L222-I230 HydrophobicContact CD2-CD1 4.49Å; L222-I230 HydrophobicContact CD2-CG1 3.81Å; L222-I230 HydrophobicContact CG-CG1 4.3Å; I230-R232 HydrophobicContact CG2-CG 4.47Å; I230-S248 PolarHBondContact N-O 3.06Å; I230-L249 HydrophobicContact CB-CB 4.11Å; I230-L249 HydrophobicContact CB-CD1 3.98Å; I230-L249 HydrophobicContact CB-CG 3.92Å; I230-L249 HydrophobicContact CD1-CD1 4.3Å; I230-L249 HydrophobicContact CG2-CD1 3.79Å; I230-L249 HydrophobicContact CG2-CG 4.02Å; I230-L249 CarbonylContact O-C 3.54Å; I230-L249 VanDerWaalsContact O-CA 3.25Å; I230-L249 WeakPolarHBondContact O-CA 3.33Å; I230-V250 PolarHBondContact O-N 3.3Å
231C98.5Very high97.4Very high0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-111.9121.7173.2-176.70000109.7I157 F158 C159 C160 V250 L252 M269I157-C231 HydrophobicContact CG2-CB 3.92Å; F158-C231 PolarHBondContact O-N 2.96Å; C159-C231 VanDerWaalsContact CA-O 3.24Å; C159-C231 WeakPolarHBondContact CA-O 3.03Å; C160-C231 PolarHBondContact N-O 3.34Å; C231-V250 HydrophobicContact CB-CG1 4.01Å; C231-L252 VanDerWaalsContact SG-CD1 3.53Å; C231-M269 HydrophobicContact CB-CE 4.14Å; C231-M269 VanDerWaalsContact SG-CE 3.59Å
232R98.4Very high97.4Very high0 Ų051.3 Ų51.30%025%0.253CS..EExtended strand (participates in β ladder)trans-141.8174.1-175.561.873.356.715513.8113.1C160 G162 T193 I230 L249 V250 T251 L252C160-R232 WeakPolarHBondContact O-CA 3.24Å; C160-R232 WeakPolarHBondContact O-CB 3.28Å; G162-R232 WeakPolarHBondContact O-CB 3.35Å; G162-R232 VanDerWaalsContact O-CZ 3.23Å; G162-R232 PolarHBondContact O-NE 3.09Å; G162-R232 PolarHBondContact O-NH2 2.99Å; T193-R232 PolarHBondContact O-NH2 3.46Å; I230-R232 HydrophobicContact CG2-CG 4.47Å; R232-L249 HydrophobicContact CG-CD1 4.27Å; R232-L249 HydrophobicContact CG-CD2 3.98Å; R232-L249 HydrophobicContact CG-CG 4.22Å; R232-V250 PolarHBondContact N-O 2.93Å; R232-T251 WeakPolarHBondContact CD-OG1 3.49Å; R232-T251 PolarHBondContact NH1-OG1 3.16Å; R232-T251 CarbonylContact O-C 3.58Å; R232-T251 WeakPolarHBondContact O-CA 3.01Å; R232-L252 PolarHBondContact O-N 3.29Å
233A98Very high97.4Very high0 Ų054 Ų540%027%0.265CS..  trans-127.4-126.3-174.600000113.5D52 L78 H161 Q235 L252D52-A233 WeakPolarHBondContact OD1-CB 3.4Å; L78-A233 HydrophobicContact CB-CB 3.71Å; L78-A233 HydrophobicContact CD1-CB 3.89Å; L78-A233 HydrophobicContact CG-CB 4.45Å; H161-A233 CarbonylContact O-C 3.44Å; H161-A233 PolarHBondContact O-N 3.06Å; A233-Q235 PolarHBondContact O-N 2.94Å; A233-L252 WeakPolarHBondContact CA-O 3.4Å; A233-L252 WeakPolarHBondContact CB-O 3.3Å
234H95.3Very high97.4Very high10 Ų1049.9 Ų49.95%0.04624%0.238CC..SBendtrans65.8-23.7164.1-176.664.1000118.8D52 N112 H161 L192D52-H234 PolarHBondContact OD1-N 2.91Å; N112-H234 PolarHBondContact OD1-CE1 2.9Å; N112-H234 PolarHBondContact OD1-ND1 3.48Å; H161-H234 AromaticContact CD2-ND1 3.98Å; H161-H234 AromaticContact NE2-CG 3.92Å; H161-H234 AromaticContact NE2-ND1 3.56Å; L192-H234 WeakPolarHBondContact CD2-CE1 3.23Å
235Q94.9Very high97.3Very high44 Ų4444.2 Ų44.221%0.20622%0.219CC..SBendtrans-115.3129.9175.9-74.9175.6-60.600111.1Y194 A233 V237 T251 F253Y194-Q235 VanDerWaalsContact CD2-NE2 3.3Å; A233-Q235 PolarHBondContact O-N 2.94Å; Q235-V237 PolarHBondContact O-N 3.33Å; Q235-T251 HydrophobicContact CB-CG2 4.2Å; Q235-F253 WeakPolarHBondContact O-CD2 3.47Å
236V95.6Very high97.2Very high45 Ų4552.2 Ų52.227%0.27325%0.253SS..  trans-64.6125169.6-1730000108.3F253 Y258 F262 N264V236-F253 HydrophobicContact CB-CE2 4.46Å; V236-F253 HydrophobicContact CB-CZ 4.48Å; V236-F253 HydrophobicContact CG1-CD1 4.46Å; V236-F253 HydrophobicContact CG1-CE1 4.43Å; V236-F253 HydrophobicContact CG2-CD2 4.31Å; V236-F253 HydrophobicContact CG2-CE1 4.03Å; V236-F253 HydrophobicContact CG2-CE2 3.74Å; V236-F253 HydrophobicContact CG2-CZ 3.6Å; V236-Y258 HydrophobicContact CG2-CD1 3.48Å; V236-Y258 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y258 HydrophobicContact CG2-CE1 3.98Å; V236-Y258 HydrophobicContact CG2-CG 4.16Å; V236-F262 HydrophobicContact CG1-CB 4.33Å; V236-F262 HydrophobicContact CG1-CD1 3.96Å; V236-F262 HydrophobicContact CG1-CE1 4.47Å; V236-F262 HydrophobicContact CG1-CG 4.09Å; V236-N264 HydrophobicContact CG1-CB 3.75Å
237V96.1Very high97.2Very high9 Ų954.8 Ų54.86%0.05526%0.255CS..  trans-126.9145.1177.1-680000109.2Q235 D239 G240 E242 T251 F253Q235-V237 PolarHBondContact O-N 3.33Å; V237-D239 PolarHBondContact O-N 3.35Å; V237-G240 VanDerWaalsContact CG2-C 3.43Å; V237-G240 PolarHBondContact O-N 3.23Å; V237-E242 HydrophobicContact CB-CB 3.92Å; V237-E242 HydrophobicContact CG1-CB 3.67Å; V237-E242 HydrophobicContact CG2-CB 4.32Å; V237-T251 HydrophobicContact CG1-CG2 3.82Å; V237-T251 HydrophobicContact CG2-CG2 4.37Å; V237-F253 HydrophobicContact CG2-CB 4.15Å
238E95Very high97.1Very high158 Ų15855.8 Ų55.874%0.73826%0.263SS*.THydrogen-bonded Turntrans-55.7-50.8-166.3-174.1175179.200113.1G240 N264 A265E238-G240 VanDerWaalsContact C-N 3.28Å; E238-G240 PolarHBondContact O-N 3.48Å; E238-N264 CarbonylContact O-C 3.59Å; E238-N264 WeakPolarHBondContact O-CA 3.48Å; E238-A265 PolarHBondContact O-N 3.39Å
239D96.2Very high97.1Very high92 Ų9251.2 Ų51.249%0.49224%0.238SC..THydrogen-bonded Turntrans-888.2-178.1-71.7-45000113.6V237 Y241V237-D239 PolarHBondContact O-N 3.35Å; D239-Y241 HydrophobicContact CB-CD1 4.33Å; D239-Y241 HydrophobicContact CB-CE1 4.2Å; D239-Y241 PolarHBondContact O-N 2.85Å
240G97.6Very high97.2Very high0 Ų050.4 Ų50.40%023%0.234CC..SBendtrans74.1-8.2-172.500000114.1V237 E238 L252 F253 A265 A267V237-G240 VanDerWaalsContact CG2-C 3.43Å; V237-G240 PolarHBondContact O-N 3.23Å; E238-G240 VanDerWaalsContact C-N 3.28Å; E238-G240 PolarHBondContact O-N 3.48Å; G240-L252 CarbonylContact O-C 3.55Å; G240-F253 WeakPolarHBondContact CA-O 3.48Å; G240-F253 PolarHBondContact O-N 3.43Å; G240-A265 VanDerWaalsContact CA-O 3.23Å; G240-A265 WeakPolarHBondContact CA-O 3.27Å; G240-A265 PolarHBondContact N-O 3.24Å; G240-A267 VanDerWaalsContact O-CB 3.28Å; G240-A267 WeakPolarHBondContact O-CB 3.44Å
241Y98.2Very high97.2Very high72 Ų7250.5 Ų50.528%0.28224%0.235SC..EExtended strand (participates in β ladder)trans-140150166.173.4-79000111.2D239 F243 T251 A267 F279 V281D239-Y241 HydrophobicContact CB-CD1 4.33Å; D239-Y241 HydrophobicContact CB-CE1 4.2Å; D239-Y241 PolarHBondContact O-N 2.85Å; Y241-F243 HydrophobicContact CD2-CE2 4.41Å; Y241-F243 HydrophobicContact CE2-CD2 4.48Å; Y241-F243 HydrophobicContact CE2-CE2 4.21Å; Y241-T251 CarbonylContact C-O 3.53Å; Y241-T251 WeakPolarHBondContact CA-O 3.45Å; Y241-A267 HydrophobicContact CD1-CB 4.05Å; Y241-F279 HydrophobicContact CD1-CB 4.06Å; Y241-F279 HydrophobicContact CD1-CD1 4.01Å; Y241-F279 HydrophobicContact CD1-CG 4.04Å; Y241-F279 AromaticContact CD2-CD1 3.82Å; Y241-F279 HydrophobicContact CD2-CD1 3.82Å; Y241-F279 HydrophobicContact CD2-CD2 4.13Å; Y241-F279 AromaticContact CD2-CE1 3.81Å; Y241-F279 HydrophobicContact CD2-CE1 3.81Å; Y241-F279 HydrophobicContact CD2-CE2 4.15Å; Y241-F279 AromaticContact CD2-CG 3.98Å; Y241-F279 HydrophobicContact CD2-CG 3.98Å; Y241-F279 AromaticContact CD2-CZ 4Å; Y241-F279 HydrophobicContact CD2-CZ 4Å; Y241-F279 HydrophobicContact CE1-CB 4.04Å; Y241-F279 HydrophobicContact CE1-CG 4.21Å; Y241-F279 HydrophobicContact CE2-CD1 4.46Å; Y241-F279 HydrophobicContact CE2-CD2 4.02Å; Y241-F279 HydrophobicContact CE2-CE2 4.21Å; Y241-F279 HydrophobicContact CE2-CG 4.16Å; Y241-F279 HydrophobicContact CG-CB 4.44Å; Y241-F279 AromaticContact CG-CD1 3.57Å; Y241-F279 HydrophobicContact CG-CD1 3.57Å; Y241-F279 AromaticContact CG-CE1 3.9Å; Y241-F279 HydrophobicContact CG-CE1 3.9Å; Y241-F279 AromaticContact CG-CG 3.92Å; Y241-F279 HydrophobicContact CG-CG 3.92Å; Y241-V281 HydrophobicContact CD1-CG2 4.06Å; Y241-V281 HydrophobicContact CE1-CG2 3.8Å
242E98Very high97.2Very high109 Ų10950.5 Ų50.551%0.50924%0.235SC..EExtended strand (participates in β ladder)trans-147.7134.9175.7-171.1175.683.900111V237 V250 T251V237-E242 HydrophobicContact CB-CB 3.92Å; V237-E242 HydrophobicContact CG1-CB 3.67Å; V237-E242 HydrophobicContact CG2-CB 4.32Å; E242-V250 CarbonylContact O-C 3.59Å; E242-V250 WeakPolarHBondContact O-CA 3.44Å; E242-T251 PolarHBondContact N-O 3.46Å; E242-T251 PolarHBondContact O-N 2.8Å
243F98.1Very high97.2Very high65 Ų6550.5 Ų50.529%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-90.1144175.9-77.1-68.4000111.9Y241 R247 L249 V250 F279Y241-F243 HydrophobicContact CD2-CE2 4.41Å; Y241-F243 HydrophobicContact CE2-CD2 4.48Å; Y241-F243 HydrophobicContact CE2-CE2 4.21Å; F243-R247 HydrophobicContact CB-CB 4.38Å; F243-R247 HydrophobicContact CB-CG 4.01Å; F243-R247 HydrophobicContact CD1-CB 3.64Å; F243-R247 HydrophobicContact CD1-CG 3.98Å; F243-R247 HydrophobicContact CD2-CG 4.2Å; F243-R247 HydrophobicContact CE1-CB 4.02Å; F243-R247 HydrophobicContact CE1-CG 4.49Å; F243-R247 HydrophobicContact CG-CB 4.01Å; F243-R247 HydrophobicContact CG-CG 3.81Å; F243-L249 CarbonylContact C-O 3.23Å; F243-L249 WeakPolarHBondContact CA-O 3.42Å; F243-V250 HydrophobicContact CD1-CB 3.98Å; F243-V250 HydrophobicContact CD1-CG2 4.21Å; F243-V250 HydrophobicContact CE1-CB 3.99Å; F243-V250 HydrophobicContact CE1-CG2 4.15Å; F243-F279 HydrophobicContact CE1-CZ 4.25Å; F243-F279 AromaticContact CE2-CE2 3.94Å; F243-F279 HydrophobicContact CE2-CE2 3.94Å; F243-F279 HydrophobicContact CE2-CZ 4.1Å; F243-F279 AromaticContact CZ-CE2 3.63Å; F243-F279 HydrophobicContact CZ-CE2 3.63Å; F243-F279 AromaticContact CZ-CZ 3.56Å; F243-F279 HydrophobicContact CZ-CZ 3.56Å
244F97.9Very high97.2Very high26 Ų2650.6 Ų50.611%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-129.7161.8174.9-178.7-101.8000110.5P195 K197 P215 V218 K246 R247 S248 L249P195-F244 HydrophobicContact CB-CD1 3.58Å; P195-F244 HydrophobicContact CB-CD2 3.96Å; P195-F244 HydrophobicContact CB-CE1 3.56Å; P195-F244 HydrophobicContact CB-CE2 3.93Å; P195-F244 HydrophobicContact CB-CG 3.77Å; P195-F244 HydrophobicContact CB-CZ 3.72Å; P195-F244 HydrophobicContact CG-CG 4.39Å; K197-F244 HydrophobicContact CB-CE2 3.93Å; P215-F244 HydrophobicContact CB-CE1 4.28Å; P215-F244 HydrophobicContact CB-CZ 4.3Å; P215-F244 HydrophobicContact CG-CE1 4.03Å; P215-F244 HydrophobicContact CG-CE2 4.16Å; P215-F244 HydrophobicContact CG-CZ 3.56Å; V218-F244 HydrophobicContact CG2-CD1 4.06Å; V218-F244 HydrophobicContact CG2-CE1 3.87Å; F244-K246 PolarHBondContact O-N 3Å; F244-R247 WeakPolarHBondContact O-CA 3.4Å; F244-R247 PolarHBondContact O-N 3.02Å; F244-S248 PolarHBondContact O-N 3.32Å; F244-L249 HydrophobicContact CB-CB 4.16Å; F244-L249 HydrophobicContact CB-CD2 3.82Å; F244-L249 HydrophobicContact CD1-CB 4.23Å; F244-L249 PolarHBondContact N-O 3.47Å; F244-L249 PolarHBondContact O-N 3.13Å
245A96.9Very high97.3Very high15 Ų1550.1 Ų50.112%0.12423%0.233CC..G310 helixtrans47.55917500000114P215 V218 R247 S248P215-A245 HydrophobicContact CB-CB 3.84Å; V218-A245 HydrophobicContact CB-CB 4.03Å; V218-A245 HydrophobicContact CG1-CB 3.92Å; V218-A245 HydrophobicContact CG2-CB 4.4Å; A245-R247 PolarHBondContact O-N 3.43Å; A245-S248 WeakPolarHBondContact O-CB 3.44Å; A245-S248 PolarHBondContact O-N 3.38Å; A245-S248 VanDerWaalsContact O-N 3.08Å; A245-S248 PolarHBondContact O-OG 3.1Å
246K95.8Very high97.3Very high211 Ų21148.1 Ų48.192%0.91722%0.224SC*.G310 helixtrans54.737.2-177.9-57.5179.7-179.2176.40113.8F244 S248F244-K246 PolarHBondContact O-N 3Å; K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.25Å
247R96.9Very high97.2Very high168 Ų16848 Ų4863%0.63422%0.221SC*.G310 helixtrans71.415-178.9-48.7175.766.7-179.9-1.6114.8L229 F243 F244 A245 L249L229-R247 WeakPolarHBondContact CD1-O 3.15Å; F243-R247 HydrophobicContact CB-CB 4.38Å; F243-R247 HydrophobicContact CB-CG 4.01Å; F243-R247 HydrophobicContact CD1-CB 3.64Å; F243-R247 HydrophobicContact CD1-CG 3.98Å; F243-R247 HydrophobicContact CD2-CG 4.2Å; F243-R247 HydrophobicContact CE1-CB 4.02Å; F243-R247 HydrophobicContact CE1-CG 4.49Å; F243-R247 HydrophobicContact CG-CB 4.01Å; F243-R247 HydrophobicContact CG-CG 3.81Å; F244-R247 WeakPolarHBondContact O-CA 3.4Å; F244-R247 PolarHBondContact O-N 3.02Å; A245-R247 PolarHBondContact O-N 3.43Å; R247-L249 VanDerWaalsContact C-N 3.32Å
248S97.5Very high97Very high34 Ų3448.2 Ų48.224%0.23822%0.221CC..THydrogen-bonded Turntrans-81.4-10173.4-650000113.6I230 F244 A245 K246I230-S248 PolarHBondContact N-O 3.06Å; F244-S248 PolarHBondContact O-N 3.32Å; A245-S248 WeakPolarHBondContact O-CB 3.44Å; A245-S248 PolarHBondContact O-N 3.38Å; A245-S248 VanDerWaalsContact O-N 3.08Å; A245-S248 PolarHBondContact O-OG 3.1Å; K246-S248 VanDerWaalsContact C-N 3.28Å; K246-S248 PolarHBondContact O-N 3.25Å
249L98.4Very high96.5Very high0 Ų043.1 Ų43.10%020%0.203CC..EExtended strand (participates in β ladder)trans-133.6142.7167.6-179.7154.9000109.4P195 F213 V218 I230 R232 F243 F244 R247P195-L249 HydrophobicContact CB-CD1 4.45Å; P195-L249 HydrophobicContact CB-CD2 4.49Å; P195-L249 HydrophobicContact CG-CD2 3.98Å; F213-L249 HydrophobicContact CE2-CD1 3.79Å; F213-L249 HydrophobicContact CZ-CD1 4.02Å; V218-L249 HydrophobicContact CG1-CB 4.17Å; V218-L249 HydrophobicContact CG2-CB 4.48Å; V218-L249 HydrophobicContact CG2-CD1 4Å; I230-L249 HydrophobicContact CB-CB 4.11Å; I230-L249 HydrophobicContact CB-CD1 3.98Å; I230-L249 HydrophobicContact CB-CG 3.92Å; I230-L249 HydrophobicContact CD1-CD1 4.3Å; I230-L249 HydrophobicContact CG2-CD1 3.79Å; I230-L249 HydrophobicContact CG2-CG 4.02Å; I230-L249 CarbonylContact O-C 3.54Å; I230-L249 VanDerWaalsContact O-CA 3.25Å; I230-L249 WeakPolarHBondContact O-CA 3.33Å; R232-L249 HydrophobicContact CG-CD1 4.27Å; R232-L249 HydrophobicContact CG-CD2 3.98Å; R232-L249 HydrophobicContact CG-CG 4.22Å; F243-L249 CarbonylContact C-O 3.23Å; F243-L249 WeakPolarHBondContact CA-O 3.42Å; F244-L249 HydrophobicContact CB-CB 4.16Å; F244-L249 HydrophobicContact CB-CD2 3.82Å; F244-L249 HydrophobicContact CD1-CB 4.23Å; F244-L249 PolarHBondContact N-O 3.47Å; F244-L249 PolarHBondContact O-N 3.13Å; R247-L249 VanDerWaalsContact C-N 3.32Å
250V98.5Very high95.9Very high0 Ų040.6 Ų40.60%020%0.198CC..EExtended strand (participates in β ladder)trans-125.9131.4171.164.90000110.5L229 I230 C231 R232 E242 F243 L252 M269 F279L229-V250 HydrophobicContact CD1-CB 4.46Å; L229-V250 HydrophobicContact CD1-CG1 4.16Å; L229-V250 HydrophobicContact CD2-CG1 4.17Å; L229-V250 HydrophobicContact CG-CG1 4.41Å; I230-V250 PolarHBondContact O-N 3.3Å; C231-V250 HydrophobicContact CB-CG1 4.01Å; R232-V250 PolarHBondContact N-O 2.93Å; E242-V250 CarbonylContact O-C 3.59Å; E242-V250 WeakPolarHBondContact O-CA 3.44Å; F243-V250 HydrophobicContact CD1-CB 3.98Å; F243-V250 HydrophobicContact CD1-CG2 4.21Å; F243-V250 HydrophobicContact CE1-CB 3.99Å; F243-V250 HydrophobicContact CE1-CG2 4.15Å; V250-L252 HydrophobicContact CG2-CD2 4.17Å; V250-M269 HydrophobicContact CG1-CE 4.34Å; V250-M269 HydrophobicContact CG1-SD 4.08Å; V250-F279 HydrophobicContact CG2-CE1 3.89Å; V250-F279 HydrophobicContact CG2-CZ 4.01Å
251T98.5Very high95.3Very high2 Ų248.1 Ų48.11%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-92.9132.3167.1-63.10000108.7R232 Q235 V237 Y241 E242R232-T251 WeakPolarHBondContact CD-OG1 3.49Å; R232-T251 PolarHBondContact NH1-OG1 3.16Å; R232-T251 CarbonylContact O-C 3.58Å; R232-T251 WeakPolarHBondContact O-CA 3.01Å; Q235-T251 HydrophobicContact CB-CG2 4.2Å; V237-T251 HydrophobicContact CG1-CG2 3.82Å; V237-T251 HydrophobicContact CG2-CG2 4.37Å; Y241-T251 CarbonylContact C-O 3.53Å; Y241-T251 WeakPolarHBondContact CA-O 3.45Å; E242-T251 PolarHBondContact N-O 3.46Å; E242-T251 PolarHBondContact O-N 2.8Å
252L98.6Very high94.7Very high0 Ų049.1 Ų49.10%024%0.24CC..EExtended strand (participates in β ladder)trans-117.3136.2173.7-63.1-178.1000110.2I49 L78 C231 R232 A233 G240 V250 M269 F279I49-L252 HydrophobicContact CB-CD1 3.96Å; I49-L252 HydrophobicContact CG2-CD1 3.86Å; L78-L252 HydrophobicContact CD1-CB 4.43Å; L78-L252 HydrophobicContact CD1-CD1 4.27Å; C231-L252 VanDerWaalsContact SG-CD1 3.53Å; R232-L252 PolarHBondContact O-N 3.29Å; A233-L252 WeakPolarHBondContact CA-O 3.4Å; A233-L252 WeakPolarHBondContact CB-O 3.3Å; G240-L252 CarbonylContact O-C 3.55Å; V250-L252 HydrophobicContact CG2-CD2 4.17Å; L252-M269 HydrophobicContact CD1-CB 3.77Å; L252-M269 HydrophobicContact CD2-CB 4.09Å; L252-F279 HydrophobicContact CD2-CD1 4.11Å; L252-F279 HydrophobicContact CD2-CE1 3.84Å
253F98.4Very high94.4Very high1 Ų151 Ų510%0.00425%0.253CS..BIsolated β-bridgetrans-136.4123.7173.6-161.9-90.8000108.3D52 Q235 V236 V237 G240 A255 Y258 G266 A267D52-F253 HydrophobicContact CB-CD2 3.82Å; D52-F253 HydrophobicContact CB-CE2 3.48Å; D52-F253 VanDerWaalsContact CB-CE2 3.48Å; D52-F253 HydrophobicContact CB-CZ 3.91Å; D52-F253 VanDerWaalsContact CG-CE2 3.44Å; D52-F253 VanDerWaalsContact OD2-CE2 3.23Å; D52-F253 WeakPolarHBondContact OD2-CE2 3.43Å; Q235-F253 WeakPolarHBondContact O-CD2 3.47Å; V236-F253 HydrophobicContact CB-CE2 4.46Å; V236-F253 HydrophobicContact CB-CZ 4.48Å; V236-F253 HydrophobicContact CG1-CD1 4.46Å; V236-F253 HydrophobicContact CG1-CE1 4.43Å; V236-F253 HydrophobicContact CG2-CD2 4.31Å; V236-F253 HydrophobicContact CG2-CE1 4.03Å; V236-F253 HydrophobicContact CG2-CE2 3.74Å; V236-F253 HydrophobicContact CG2-CZ 3.6Å; V237-F253 HydrophobicContact CG2-CB 4.15Å; G240-F253 WeakPolarHBondContact CA-O 3.48Å; G240-F253 PolarHBondContact O-N 3.43Å; F253-A255 HydrophobicContact CD1-CB 4.31Å; F253-A255 HydrophobicContact CE1-CB 3.63Å; F253-A255 VanDerWaalsContact CE1-O 3.26Å; F253-A255 WeakPolarHBondContact CE1-O 3.47Å; F253-A255 HydrophobicContact CZ-CB 4.24Å; F253-Y258 HydrophobicContact CE1-CD2 4.03Å; F253-Y258 AromaticContact CE1-CG 3.89Å; F253-Y258 HydrophobicContact CE1-CG 3.89Å; F253-Y258 HydrophobicContact CZ-CD1 4.07Å; F253-Y258 AromaticContact CZ-CD2 3.74Å; F253-Y258 HydrophobicContact CZ-CD2 3.74Å; F253-Y258 HydrophobicContact CZ-CE1 4.35Å; F253-Y258 HydrophobicContact CZ-CE2 4.06Å; F253-Y258 AromaticContact CZ-CG 3.72Å; F253-Y258 HydrophobicContact CZ-CG 3.72Å; F253-G266 CarbonylContact O-C 3.6Å; F253-G266 VanDerWaalsContact O-CA 3.23Å; F253-G266 WeakPolarHBondContact O-CA 3.19Å; F253-A267 PolarHBondContact O-N 3.45Å
254S98.4Very high94.3Very high1 Ų148.1 Ų48.11%0.00724%0.241CC..  trans-110.33.3-167.9-60.10000113.9C50 G51 D52 P256 A267C50-S254 WeakPolarHBondContact CA-OG 3.34Å; G51-S254 PolarHBondContact N-OG 3.04Å; D52-S254 CarbonylContact O-C 3.52Å; D52-S254 VanDerWaalsContact O-C 3.23Å; D52-S254 WeakPolarHBondContact O-CA 3.47Å; D52-S254 WeakPolarHBondContact O-CB 3.36Å; D52-S254 PolarHBondContact O-N 3.19Å; D52-S254 VanDerWaalsContact O-N 3.16Å; S254-P256 WeakPolarHBondContact O-CD 3.4Å; S254-A267 PolarHBondContact OG-O 2.98Å
255A97Very high94.3Very high0 Ų047.2 Ų47.20%024%0.238CC..  trans-10096.8176.100000111D52 Q56 F253 Y258 N264D52-A255 PolarHBondContact O-N 3.39Å; Q56-A255 HydrophobicContact CG-CB 4.47Å; F253-A255 HydrophobicContact CD1-CB 4.31Å; F253-A255 HydrophobicContact CE1-CB 3.63Å; F253-A255 VanDerWaalsContact CE1-O 3.26Å; F253-A255 WeakPolarHBondContact CE1-O 3.47Å; F253-A255 HydrophobicContact CZ-CB 4.24Å; A255-Y258 HydrophobicContact CB-CD2 4.24Å; A255-N264 PolarHBondContact O-ND2 2.75Å
256P95.5Very high94.3Very high3 Ų346.5 Ų46.52%0.01923%0.232CC..THydrogen-bonded Turntrans-67.6146.717828.6-35.7000111.7Q56 D59 S254 Y258 N264 L282 P284Q56-P256 PolarHBondContact NE2-O 3.01Å; D59-P256 HydrophobicContact CB-CG 4.03Å; S254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-Y258 VanDerWaalsContact C-N 3.31Å; P256-Y258 PolarHBondContact O-N 3.06Å; P256-N264 CarbonylContact C-O 3.5Å; P256-N264 WeakPolarHBondContact CA-O 3.42Å; P256-L282 HydrophobicContact CG-CD2 4.04Å; P256-L282 HydrophobicContact CG-CG 4.46Å; P256-P284 HydrophobicContact CB-CG 4.49Å
257N93.3Very high94.4Very high41 Ų4136.5 Ų36.522%0.21919%0.189CC..THydrogen-bonded Turntrans48.354.5-177.4165.383.7000111.2C259 G260 F262 N264 P284N257-C259 PolarHBondContact O-N 3.2Å; N257-G260 PolarHBondContact O-N 3.04Å; N257-F262 CarbonylContact C-O 3.59Å; N257-F262 WeakPolarHBondContact CA-O 3.47Å; N257-F262 PolarHBondContact OD1-O 3.37Å; N257-F262 VanDerWaalsContact OD1-O 3.13Å; N257-N264 PolarHBondContact N-O 3.03Å; N257-N264 PolarHBondContact N-OD1 2.96Å; N257-P284 HydrophobicContact CB-CB 3.85Å; N257-P284 HydrophobicContact CB-CG 4Å
258Y91.5Very high94.5Very high14 Ų1428.6 Ų28.66%0.05516%0.159CC..G310 helixtrans-54.7134.5-172.9-178.3-123.5000111.3H54 R84 V236 F253 A255 P256 G260 E261 F262 N264H54-Y258 HydrophobicContact CB-CD2 4.45Å; H54-Y258 HydrophobicContact CB-CE2 3.71Å; H54-Y258 AromaticContact CD2-CE2 3.19Å; H54-Y258 WeakPolarHBondContact CD2-CE2 3.45Å; H54-Y258 AromaticContact CD2-CZ 3.52Å; H54-Y258 PolarHBondContact CD2-OH 3.33Å; H54-Y258 VanDerWaalsContact CD2-OH 3.25Å; H54-Y258 AromaticContact CG-CE2 3.61Å; H54-Y258 AromaticContact NE2-CE2 3.89Å; H54-Y258 AromaticContact NE2-CZ 3.71Å; H54-Y258 PolarHBondContact NE2-OH 2.94Å; R84-Y258 HydrophobicContact CB-CE2 4.31Å; R84-Y258 WeakPolarHBondContact CG-OH 3.36Å; R84-Y258 PolarHBondContact NH1-OH 3.42Å; V236-Y258 HydrophobicContact CG2-CD1 3.48Å; V236-Y258 VanDerWaalsContact CG2-CD1 3.48Å; V236-Y258 HydrophobicContact CG2-CE1 3.98Å; V236-Y258 HydrophobicContact CG2-CG 4.16Å; F253-Y258 HydrophobicContact CE1-CD2 4.03Å; F253-Y258 AromaticContact CE1-CG 3.89Å; F253-Y258 HydrophobicContact CE1-CG 3.89Å; F253-Y258 HydrophobicContact CZ-CD1 4.07Å; F253-Y258 AromaticContact CZ-CD2 3.74Å; F253-Y258 HydrophobicContact CZ-CD2 3.74Å; F253-Y258 HydrophobicContact CZ-CE1 4.35Å; F253-Y258 HydrophobicContact CZ-CE2 4.06Å; F253-Y258 AromaticContact CZ-CG 3.72Å; F253-Y258 HydrophobicContact CZ-CG 3.72Å; A255-Y258 HydrophobicContact CB-CD2 4.24Å; P256-Y258 VanDerWaalsContact C-N 3.31Å; P256-Y258 PolarHBondContact O-N 3.06Å; Y258-G260 PolarHBondContact O-N 2.97Å; Y258-E261 PolarHBondContact O-N 3.3Å; Y258-F262 AromaticContact CD1-CD2 3.71Å; Y258-F262 HydrophobicContact CD1-CD2 3.71Å; Y258-F262 AromaticContact CD1-CE2 3.74Å; Y258-F262 HydrophobicContact CD1-CE2 3.74Å; Y258-F262 HydrophobicContact CE1-CE2 4.38Å; Y258-F262 HydrophobicContact CG-CD2 4.33Å; Y258-F262 WeakPolarHBondContact O-CD2 3.39Å; Y258-F262 PolarHBondContact O-N 3.25Å; Y258-N264 WeakPolarHBondContact CB-OD1 3.29Å; Y258-N264 PolarHBondContact N-OD1 3.47Å
259C85.9Confident94.5Very high51 Ų5127 Ų2735%0.34515%0.148SC..G310 helixtrans54.41.1-173.8-66.60000116N257 E261N257-C259 PolarHBondContact O-N 3.2Å; C259-E261 HydrophobicContact CB-CB 4.38Å; C259-E261 HydrophobicContact CB-CG 4.2Å; C259-E261 PolarHBondContact O-N 3.48Å
260G83.8Confident94.5Very high39 Ų3927.5 Ų27.540%0.40215%0.151SC..G310 helixtrans69.813.9-16700000114.7N257 Y258N257-G260 PolarHBondContact O-N 3.04Å; Y258-G260 PolarHBondContact O-N 2.97Å
261E84.6Confident94.5Very high159 Ų15927.6 Ų27.674%0.74315%0.152SC*.THydrogen-bonded Turntrans-111.5-28.6-177.5-65.6179.3173.200112Y258 C259Y258-E261 PolarHBondContact O-N 3.3Å; C259-E261 HydrophobicContact CB-CB 4.38Å; C259-E261 HydrophobicContact CB-CG 4.2Å; C259-E261 PolarHBondContact O-N 3.48Å
262F86Confident94.4Very high92 Ų9230.8 Ų30.840%0.40417%0.169SC..  trans-97.8151174.7-61.3-93.3000110V236 N257 Y258 N264V236-F262 HydrophobicContact CG1-CB 4.33Å; V236-F262 HydrophobicContact CG1-CD1 3.96Å; V236-F262 HydrophobicContact CG1-CE1 4.47Å; V236-F262 HydrophobicContact CG1-CG 4.09Å; N257-F262 CarbonylContact C-O 3.59Å; N257-F262 WeakPolarHBondContact CA-O 3.47Å; N257-F262 PolarHBondContact OD1-O 3.37Å; N257-F262 VanDerWaalsContact OD1-O 3.13Å; Y258-F262 AromaticContact CD1-CD2 3.71Å; Y258-F262 HydrophobicContact CD1-CD2 3.71Å; Y258-F262 AromaticContact CD1-CE2 3.74Å; Y258-F262 HydrophobicContact CD1-CE2 3.74Å; Y258-F262 HydrophobicContact CE1-CE2 4.38Å; Y258-F262 HydrophobicContact CG-CD2 4.33Å; Y258-F262 WeakPolarHBondContact O-CD2 3.39Å; Y258-F262 PolarHBondContact O-N 3.25Å; F262-N264 HydrophobicContact CB-CB 4.43Å; F262-N264 VanDerWaalsContact CB-OD1 3.27Å; F262-N264 WeakPolarHBondContact CB-OD1 3.39Å
263D91.8Very high94.3Very high148 Ų14838.2 Ų38.279%0.79120%0.203SC*.  trans-99.318.3171.4-79.9-27.3000112.2
264N96.3Very high94.1Very high6 Ų643.5 Ų43.53%0.03224%0.236CC..PPolyproline II helixtrans-64.9148.7-176.673.4-71.1000112.8V236 E238 A255 P256 N257 Y258 F262 P284V236-N264 HydrophobicContact CG1-CB 3.75Å; E238-N264 CarbonylContact O-C 3.59Å; E238-N264 WeakPolarHBondContact O-CA 3.48Å; A255-N264 PolarHBondContact O-ND2 2.75Å; P256-N264 CarbonylContact C-O 3.5Å; P256-N264 WeakPolarHBondContact CA-O 3.42Å; N257-N264 PolarHBondContact N-O 3.03Å; N257-N264 PolarHBondContact N-OD1 2.96Å; Y258-N264 WeakPolarHBondContact CB-OD1 3.29Å; Y258-N264 PolarHBondContact N-OD1 3.47Å; F262-N264 HydrophobicContact CB-CB 4.43Å; F262-N264 VanDerWaalsContact CB-OD1 3.27Å; F262-N264 WeakPolarHBondContact CB-OD1 3.39Å; N264-P284 VanDerWaalsContact O-CG 3.32Å; N264-P284 WeakPolarHBondContact O-CG 3.46Å
265A96.4Very high93.9Very high7 Ų746 Ų466%0.05825%0.249CC..PPolyproline II helixtrans-78.1163.4162.900000111.3E238 G240 V281E238-A265 PolarHBondContact O-N 3.39Å; G240-A265 VanDerWaalsContact CA-O 3.23Å; G240-A265 WeakPolarHBondContact CA-O 3.27Å; G240-A265 PolarHBondContact N-O 3.24Å; A265-V281 HydrophobicContact CB-CG1 3.49Å; A265-V281 VanDerWaalsContact CB-CG1 3.49Å
266G97.3Very high93.8Very high0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-98.8147.516300000109.4F253 V281 L282F253-G266 CarbonylContact O-C 3.6Å; F253-G266 VanDerWaalsContact O-CA 3.23Å; F253-G266 WeakPolarHBondContact O-CA 3.19Å; G266-V281 CarbonylContact O-C 3.59Å; G266-V281 WeakPolarHBondContact O-CA 3.48Å; G266-L282 PolarHBondContact N-O 3.13Å; G266-L282 WeakPolarHBondContact O-CA 3.41Å; G266-L282 PolarHBondContact O-N 2.84Å
267A98.1Very high93.9Very high0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-129.5161.4172.400000112.6G240 Y241 F253 S254 Q280 V281G240-A267 VanDerWaalsContact O-CB 3.28Å; G240-A267 WeakPolarHBondContact O-CB 3.44Å; Y241-A267 HydrophobicContact CD1-CB 4.05Å; F253-A267 PolarHBondContact O-N 3.45Å; S254-A267 PolarHBondContact OG-O 2.98Å; A267-Q280 WeakPolarHBondContact CA-O 3.37Å; A267-V281 HydrophobicContact CB-CG2 4.38Å
268M98.1Very high94.1Very high2 Ų253.7 Ų53.71%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-135.8130.1171.3168.9177.343.800108K48 I49 L63 Y75 Q280K48-M268 HydrophobicContact CB-CG 4Å; K48-M268 HydrophobicContact CB-SD 3.72Å; K48-M268 HydrophobicContact CD-CE 4.46Å; K48-M268 HydrophobicContact CD-SD 3.72Å; K48-M268 HydrophobicContact CG-SD 4.09Å; I49-M268 WeakPolarHBondContact O-CA 3.32Å; L63-M268 HydrophobicContact CD2-CB 4.37Å; Y75-M268 HydrophobicContact CE1-SD 3.68Å; M268-Q280 HydrophobicContact CE-CB 4.27Å; M268-Q280 VanDerWaalsContact CE-OE1 3.24Å; M268-Q280 PolarHBondContact N-O 3.43Å; M268-Q280 PolarHBondContact O-N 2.99Å
269M98.6Very high94.4Very high1 Ų155.2 Ų55.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-93.4124177.9-172.9172.169.700109.7K48 I49 L229 C231 V250 L252 V271 C277 S278 F279K48-M269 CarbonylContact C-O 3.44Å; K48-M269 WeakPolarHBondContact CA-O 3.42Å; I49-M269 HydrophobicContact CB-CB 4.46Å; I49-M269 HydrophobicContact CB-CE 4.5Å; I49-M269 HydrophobicContact CD1-CE 3.56Å; I49-M269 HydrophobicContact CG1-CE 4.28Å; I49-M269 PolarHBondContact N-O 3.2Å; I49-M269 PolarHBondContact O-N 3.22Å; L229-M269 HydrophobicContact CD2-CE 4.42Å; C231-M269 HydrophobicContact CB-CE 4.14Å; C231-M269 VanDerWaalsContact SG-CE 3.59Å; V250-M269 HydrophobicContact CG1-CE 4.34Å; V250-M269 HydrophobicContact CG1-SD 4.08Å; L252-M269 HydrophobicContact CD1-CB 3.77Å; L252-M269 HydrophobicContact CD2-CB 4.09Å; M269-V271 HydrophobicContact CE-CG2 4Å; M269-C277 HydrophobicContact CG-CB 4.16Å; M269-C277 HydrophobicContact SD-CB 3.9Å; M269-S278 CarbonylContact C-O 3.59Å; M269-S278 WeakPolarHBondContact CA-O 3.32Å; M269-F279 HydrophobicContact CB-CD1 4.05Å; M269-F279 HydrophobicContact CB-CE1 3.93Å; M269-F279 HydrophobicContact CG-CD1 4.16Å; M269-F279 HydrophobicContact CG-CE1 3.76Å; M269-F279 HydrophobicContact CG-CZ 4.15Å; M269-F279 HydrophobicContact SD-CE1 3.74Å; M269-F279 HydrophobicContact SD-CZ 3.82Å
270S98.3Very high94.9Very high10 Ų1055.6 Ų55.67%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-94.6124169.6-58.30000109.3K48 C277 S278K48-S270 PolarHBondContact NZ-OG 3.31Å; S270-C277 WeakPolarHBondContact O-CA 3.39Å; S270-S278 PolarHBondContact N-O 3.43Å; S270-S278 PolarHBondContact O-N 3.26Å
271V98.2Very high95.4Very high2 Ų256.6 Ų56.61%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-102.8118.2172.3-173.40000107.4A45 P46 L47 I49 I157 M269 L275A45-V271 HydrophobicContact CB-CG1 4.01Å; P46-V271 VanDerWaalsContact CA-O 3.25Å; P46-V271 WeakPolarHBondContact CA-O 3.44Å; L47-V271 PolarHBondContact N-O 3.16Å; L47-V271 VanDerWaalsContact N-O 3.11Å; L47-V271 PolarHBondContact O-N 3.4Å; I49-V271 HydrophobicContact CD1-CG2 4.02Å; I49-V271 HydrophobicContact CG1-CG2 4.33Å; I157-V271 HydrophobicContact CD1-CG1 3.95Å; I157-V271 HydrophobicContact CD1-CG2 4.15Å; M269-V271 HydrophobicContact CE-CG2 4Å; V271-L275 HydrophobicContact CG1-CD2 4.09Å
272L97.1Very high95.8Very high70 Ų7049.4 Ų49.437%0.36626%0.263SS..PPolyproline II helixtrans-83.9166.8175.2-57.7-176.1000110.9A45 T274 L275 M276A45-L272 WeakPolarHBondContact CB-O 3.47Å; L272-T274 PolarHBondContact O-N 3.4Å; L272-T274 VanDerWaalsContact O-N 3.07Å; L272-L275 WeakPolarHBondContact O-CA 3.47Å; L272-L275 PolarHBondContact O-N 3.24Å; L272-M276 HydrophobicContact CD1-CB 4.37Å; L272-M276 HydrophobicContact CD1-CE 3.39Å; L272-M276 PolarHBondContact N-O 2.98Å; L272-M276 VanDerWaalsContact N-O 3.1Å
273E95.6Very high96Very high156 Ų15652.6 Ų52.673%0.72928%0.277SS*.THydrogen-bonded Turntrans-54-27.2174.6-67172.5-167.100113.4P46 L275P46-E273 HydrophobicContact CB-CG 4.49Å; P46-E273 HydrophobicContact CG-CG 4.27Å; E273-L275 PolarHBondContact O-N 2.78Å
274T95.2Very high95.8Very high112 Ų11247.6 Ų47.669%0.68725%0.252SS*.THydrogen-bonded Turntrans-81.86.5175.357.40000113.8L272 M276L272-T274 PolarHBondContact O-N 3.4Å; L272-T274 VanDerWaalsContact O-N 3.07Å; T274-M276 PolarHBondContact O-N 3.18Å; T274-M276 VanDerWaalsContact O-N 3.12Å
275L93.8Very high94.9Very high53 Ų5350.9 Ų50.928%0.27728%0.276SS..  trans59.910.7-169.2-55.1179.6000115A45 D154 K156 V271 L272 E273 C277A45-L275 HydrophobicContact CB-CD2 4.37Å; D154-L275 HydrophobicContact CB-CD1 4.27Å; D154-L275 HydrophobicContact CB-CD2 3.64Å; D154-L275 HydrophobicContact CB-CG 4.48Å; D154-L275 VanDerWaalsContact OD2-CD2 3.31Å; D154-L275 WeakPolarHBondContact OD2-CD2 3.13Å; K156-L275 HydrophobicContact CB-CD1 3.93Å; K156-L275 HydrophobicContact CG-CD1 3.91Å; V271-L275 HydrophobicContact CG1-CD2 4.09Å; L272-L275 WeakPolarHBondContact O-CA 3.47Å; L272-L275 PolarHBondContact O-N 3.24Å; E273-L275 PolarHBondContact O-N 2.78Å; L275-C277 PolarHBondContact O-N 3.02Å; L275-C277 VanDerWaalsContact O-N 3.16Å
276M95.6Very high93.4Very high113 Ų11359.4 Ų59.456%0.55731%0.314SS*.  trans-65.8118.8171.8-17217768.600109.7L272 T274L272-M276 HydrophobicContact CD1-CB 4.37Å; L272-M276 HydrophobicContact CD1-CE 3.39Å; L272-M276 PolarHBondContact N-O 2.98Å; L272-M276 VanDerWaalsContact N-O 3.1Å; T274-M276 PolarHBondContact O-N 3.18Å; T274-M276 VanDerWaalsContact O-N 3.12Å
277C97.3Very high91.5Very high42 Ų4267 Ų6728%0.28435%0.347SS..EExtended strand (participates in β ladder)trans-92.5131.6177.6-64.20000111M269 S270 L275M269-C277 HydrophobicContact CG-CB 4.16Å; M269-C277 HydrophobicContact SD-CB 3.9Å; S270-C277 WeakPolarHBondContact O-CA 3.39Å; L275-C277 PolarHBondContact O-N 3.02Å; L275-C277 VanDerWaalsContact O-N 3.16Å
278S97.1Very high88.8Confident50 Ų5076.3 Ų76.335%0.3539%0.387SS..EExtended strand (participates in β ladder)trans-133.1156.4173.3600000110.7M269 S270M269-S278 CarbonylContact C-O 3.59Å; M269-S278 WeakPolarHBondContact CA-O 3.32Å; S270-S278 PolarHBondContact N-O 3.43Å; S270-S278 PolarHBondContact O-N 3.26Å
279F97.5Very high85.7Confident47 Ų4783.6 Ų83.621%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-117.9133-174-58.5-90.1000111.1Y241 F243 V250 L252 M269Y241-F279 HydrophobicContact CD1-CB 4.06Å; Y241-F279 HydrophobicContact CD1-CD1 4.01Å; Y241-F279 HydrophobicContact CD1-CG 4.04Å; Y241-F279 AromaticContact CD2-CD1 3.82Å; Y241-F279 HydrophobicContact CD2-CD1 3.82Å; Y241-F279 HydrophobicContact CD2-CD2 4.13Å; Y241-F279 AromaticContact CD2-CE1 3.81Å; Y241-F279 HydrophobicContact CD2-CE1 3.81Å; Y241-F279 HydrophobicContact CD2-CE2 4.15Å; Y241-F279 AromaticContact CD2-CG 3.98Å; Y241-F279 HydrophobicContact CD2-CG 3.98Å; Y241-F279 AromaticContact CD2-CZ 4Å; Y241-F279 HydrophobicContact CD2-CZ 4Å; Y241-F279 HydrophobicContact CE1-CB 4.04Å; Y241-F279 HydrophobicContact CE1-CG 4.21Å; Y241-F279 HydrophobicContact CE2-CD1 4.46Å; Y241-F279 HydrophobicContact CE2-CD2 4.02Å; Y241-F279 HydrophobicContact CE2-CE2 4.21Å; Y241-F279 HydrophobicContact CE2-CG 4.16Å; Y241-F279 HydrophobicContact CG-CB 4.44Å; Y241-F279 AromaticContact CG-CD1 3.57Å; Y241-F279 HydrophobicContact CG-CD1 3.57Å; Y241-F279 AromaticContact CG-CE1 3.9Å; Y241-F279 HydrophobicContact CG-CE1 3.9Å; Y241-F279 AromaticContact CG-CG 3.92Å; Y241-F279 HydrophobicContact CG-CG 3.92Å; F243-F279 HydrophobicContact CE1-CZ 4.25Å; F243-F279 AromaticContact CE2-CE2 3.94Å; F243-F279 HydrophobicContact CE2-CE2 3.94Å; F243-F279 HydrophobicContact CE2-CZ 4.1Å; F243-F279 AromaticContact CZ-CE2 3.63Å; F243-F279 HydrophobicContact CZ-CE2 3.63Å; F243-F279 AromaticContact CZ-CZ 3.56Å; F243-F279 HydrophobicContact CZ-CZ 3.56Å; V250-F279 HydrophobicContact CG2-CE1 3.89Å; V250-F279 HydrophobicContact CG2-CZ 4.01Å; L252-F279 HydrophobicContact CD2-CD1 4.11Å; L252-F279 HydrophobicContact CD2-CE1 3.84Å; M269-F279 HydrophobicContact CB-CD1 4.05Å; M269-F279 HydrophobicContact CB-CE1 3.93Å; M269-F279 HydrophobicContact CG-CD1 4.16Å; M269-F279 HydrophobicContact CG-CE1 3.76Å; M269-F279 HydrophobicContact CG-CZ 4.15Å; M269-F279 HydrophobicContact SD-CE1 3.74Å; M269-F279 HydrophobicContact SD-CZ 3.82Å
280Q95.7Very high82.8Confident59 Ų5992.5 Ų92.528%0.27647%0.465SS..EExtended strand (participates in β ladder)trans-105.9116.1168.9-61.2-179-79.700107.8Y66 A267 M268Y66-Q280 PolarHBondContact O-NE2 3.45Å; Y66-Q280 VanDerWaalsContact O-NE2 3.13Å; A267-Q280 WeakPolarHBondContact CA-O 3.37Å; M268-Q280 HydrophobicContact CE-CB 4.27Å; M268-Q280 VanDerWaalsContact CE-OE1 3.24Å; M268-Q280 PolarHBondContact N-O 3.43Å; M268-Q280 PolarHBondContact O-N 2.99Å
281V95.7Very high79.8Confident60 Ų60100.6 Ų100.636%0.36450%0.5SS..EExtended strand (participates in β ladder)trans-102.6122.9-175.5-179.50000110.6Y241 A265 G266 A267Y241-V281 HydrophobicContact CD1-CG2 4.06Å; Y241-V281 HydrophobicContact CE1-CG2 3.8Å; A265-V281 HydrophobicContact CB-CG1 3.49Å; A265-V281 VanDerWaalsContact CB-CG1 3.49Å; G266-V281 CarbonylContact O-C 3.59Å; G266-V281 WeakPolarHBondContact O-CA 3.48Å; A267-V281 HydrophobicContact CB-CG2 4.38Å
282L92.2Very high76.6Confident8 Ų8109 Ų1094%0.04254%0.538CS..EExtended strand (participates in β ladder)trans-97.4100.4174.9-170.269.1000109.8D59 R62 L63 Y66 P256 G266D59-L282 HydrophobicContact CB-CD2 4.41Å; R62-L282 HydrophobicContact CB-CD1 4.23Å; R62-L282 HydrophobicContact CB-CD2 3.94Å; R62-L282 VanDerWaalsContact NH2-CD1 3.31Å; L63-L282 HydrophobicContact CD2-CD2 4.31Å; L63-L282 HydrophobicContact CG-CD2 4.34Å; Y66-L282 HydrophobicContact CD2-CD1 4.09Å; Y66-L282 HydrophobicContact CE2-CD1 3.9Å; P256-L282 HydrophobicContact CG-CD2 4.04Å; P256-L282 HydrophobicContact CG-CG 4.46Å; G266-L282 PolarHBondContact N-O 3.13Å; G266-L282 WeakPolarHBondContact O-CA 3.41Å; G266-L282 PolarHBondContact O-N 2.84Å
283K90.9Very high73.6Confident159 Ų159115.2 Ų115.269%0.69156%0.559SS**PPolyproline II helixtrans-65.3151174.2-66-172.9177.2-1730111.6R62 S285R62-K283 PolarHBondContact NH2-O 3.3Å; R62-K283 VanDerWaalsContact NH2-O 3.11Å; K283-S285 PolarHBondContact O-N 3.42Å
284P86.7Confident70.8Confident43 Ų43113.2 Ų113.228%0.27956%0.557SS.*PPolyproline II helixtrans-48.3138.5169.9-28.336.4000111.3P256 N257 N264 E286P256-P284 HydrophobicContact CB-CG 4.49Å; N257-P284 HydrophobicContact CB-CB 3.85Å; N257-P284 HydrophobicContact CB-CG 4Å; N264-P284 VanDerWaalsContact O-CG 3.32Å; N264-P284 WeakPolarHBondContact O-CG 3.46Å; P284-E286 PolarHBondContact O-N 3.38Å
285S76.9Confident68Low75 Ų75114.8 Ų114.852%0.52456%0.561SS.*PPolyproline II helixtrans-67.4128.2171.5-70.50000108.8R62 K283 K287R62-S285 PolarHBondContact NH1-OG 3.14Å; K283-S285 PolarHBondContact O-N 3.42Å; S285-K287 PolarHBondContact O-N 3.08Å; S285-K287 VanDerWaalsContact O-N 3.12Å
286E66.3Low65.4Low185 Ų185116.9 Ų116.986%0.86458%0.581SS**PPolyproline II helixtrans-53.8122173.1-69.6-176.2177.100109.6P284 K288P284-E286 PolarHBondContact O-N 3.38Å; E286-K288 PolarHBondContact O-N 3.31Å
287K57.3Low62.6Low160 Ų160117.7 Ų117.770%0.69659%0.592SS**  trans-63102167.6-72.7176.4-175.5162.70106S285 N289S285-K287 PolarHBondContact O-N 3.08Å; S285-K287 VanDerWaalsContact O-N 3.12Å; K287-N289 PolarHBondContact O-N 2.81Å
288K40.7Very low59.9Low195 Ų195123.1 Ų123.185%0.84862%0.618SS**  trans-52.1107.9166.2-82.2-172176.4-178.30106.9E286 K290E286-K288 PolarHBondContact O-N 3.31Å; K288-K290 PolarHBondContact O-N 3.2Å
289N33Very low57Low155 Ų155132.2 Ų132.283%0.82965%0.645SS**  trans-51.5101.7175.8-85.8-25.4000108.2K287 F291K287-N289 PolarHBondContact O-N 2.81Å; N289-F291 PolarHBondContact O-N 3.19Å
290K37.8Very low54.2Low189 Ų189136.4 Ų136.482%0.82267%0.674SS**  trans-77.658.8169.6-81.7-172174.9179.20109.2K288K288-K290 PolarHBondContact O-N 3.2Å
291F34.7Very low51.4Low180 Ų180142.8 Ų142.879%0.78970%0.704SS**  trans-153.581.5164-77.4-73000108.5N289N289-F291 PolarHBondContact O-N 3.19Å
292Q32Very low48.8Very low177 Ų177146.3 Ų146.383%0.82773%0.726SS**  trans-113.299148-88.4-175-12.200106.7T294Q292-T294 PolarHBondContact O-N 3.42Å
293Y34.7Very low46.1Very low202 Ų202152 Ų15279%0.79276%0.763SS**  trans-56.2104.8158-102.2-95.4000107.4N295Y293-N295 PolarHBondContact O-N 3.14Å
294T35.8Very low43.5Very low113 Ų113149.1 Ų149.169%0.69377%0.769SS**  trans-89.694.3163.7350000107.2Q292 S296Q292-T294 PolarHBondContact O-N 3.42Å; T294-S296 PolarHBondContact O-N 3.25Å
295N35.7Very low41Very low146 Ų146158.3 Ų158.378%0.78180%0.798SS**  trans-69.485.2158.9-88.9-17.3000107.7Y293Y293-N295 PolarHBondContact O-N 3.14Å
296S39.5Very low39Very low97 Ų97160.5 Ų160.568%0.67881%0.808SS**  trans-9297.2165.9-64.50000107.6T294 N298T294-S296 PolarHBondContact O-N 3.25Å; S296-N298 PolarHBondContact O-N 2.71Å
297T37.6Very low37.6Very low130 Ų130157.8 Ų157.880%0.79880%0.804SS**  trans-57.3102.7167.546.50000109.5R299T297-R299 PolarHBondContact O-N 2.91Å
298N40.5Very low36.7Very low155 Ų155158.1 Ų158.183%0.82981%0.809SS**  trans-74.8107.6160.2-94.5-16.6000107.9S296 T300S296-N298 PolarHBondContact O-N 2.71Å; N298-T300 PolarHBondContact O-N 2.84Å
299R36.5Very low36.7Very low241 Ų241156.8 Ų156.891%0.90981%0.81SS**  trans-61.5108.5164.4-78.4176.9168.4176.8-3.7108.8T297T297-R299 PolarHBondContact O-N 2.91Å
300T39.2Very low36.9Very low135 Ų135153 Ų15383%0.82881%0.807SS**  trans-95.9125.9153.224.30000108.7N298N298-T300 PolarHBondContact O-N 2.84Å
301Q36.8Very low36.9Very low194 Ų194153.8 Ų153.891%0.90781%0.81SS**  trans-66.9133.5177.2-68170.4-15.500110.7
302V40.1Very low37.1Very low134 Ų134150.1 Ų150.181%0.81281%0.807SS**  trans-139.3135.5156.7-1770000108.1
303P36Very low37.3Very low127 Ų127151.7 Ų151.783%0.82581%0.811SS**  trans-83.5154.3-166.4-3.923.3000113.9
304A34.9Very low37.5Very low98 Ų98146.8 Ų146.881%0.8181%0.813SS**  trans-78.9142.2-17800000114.4
305R36Very low37.3Very low237 Ų237152 Ų15289%0.89482%0.82SS**  trans-163.6107.3142.4-110.3174.7-176.4-172.30.5112.5
306T34.5Very low37.6Very low120 Ų120153.7 Ų153.774%0.73684%0.838SS**  trans38.2121.9135.751.30000122
307T37.3Very low37.5Very low129 Ų129156.5 Ų156.579%0.79185%0.846SS**  160.6106.4126.335.40000108.6
308E38Very low37.5Very low167 Ų167157.9 Ų157.978%0.7885%0.849SS**  95.2135.493.7-87.7-157.6156.200114.8
309L39.3Very low37.4Very low166 Ų166158.1 Ų158.187%0.86985%0.85SS**  trans68.9133.4162.9-62133.3000116.8
310G38.3Very low37.4Very low75 Ų75153.2 Ų153.277%0.77385%0.847SS**  cis-174.6172.99.500000110
311K37.3Very low37.3Very low206 Ų206154.3 Ų154.390%0.89685%0.848SS**  trans-59.5151.3-170.5-56158.7177173.50111.8
312S38.4Very low37.3Very low104 Ų104151.7 Ų151.773%0.72784%0.844SS**  165.4142.366.652.20000110.8
313K37.7Very low37.1Very low209 Ų209152.9 Ų152.991%0.90985%0.846SS**  41.8144.6128.9-65.8-173.7177.7-174.10119.3
314A37.6Very low37.2Very low99 Ų99154.9 Ų154.982%0.81885%0.848SS**  cis-164166.112.600000110.7
315R31.5Very low37.4Very low223 Ų223159.7 Ų159.784%0.84285%0.851SS**  trans-57.9167.6177-88.7-175.5-177.8-147.13.3116.5
316P43Very low37.5Very low181 Ų181152.6 Ų152.6100%1.17585%0.847SS**  -82056.5-20.434.1000116.9

Retrieved 316 of 316 residues in 554.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).