A0A087Y839_POEFO Loading...

Protein-L-isoaspartate O-methyltransferase domain-containing protein 1

Substrate recognition component of an ECS (Elongin BC-CUL5-SOCS-box protein) E3 ubiquitin ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Specifically binds to the methyltransferase cofactor S-adenosylmethionine (AdoMet) via the N-terminal AdoMet binding motif, but does not display methyltransferase activity. May provide an alternate maintenance pathway for modified proteins by acting as a damage-specific E3 ubiquitin ligase adaptor protein.

AlphaFold DB , UniProt , Accession A0A087Y839, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.8Confident89.1Confident65 Ų6558 Ų5832%0.3239%0.387SS..  0155.20-67.6-169.9-75.400109.9A55 I68 V214 S215 F216M1-A55 PolarHBondContact O-N 2.86Å; M1-I68 HydrophobicContact CB-CG1 4.25Å; M1-I68 HydrophobicContact CE-CG1 4.45Å; M1-I68 HydrophobicContact SD-CD1 4.01Å; M1-I68 HydrophobicContact SD-CG1 4.13Å; M1-V214 HydrophobicContact SD-CB 3.48Å; M1-V214 WeakPolarHBondContact SD-CB 3.24Å; M1-V214 HydrophobicContact SD-CG1 3.81Å; M1-S215 WeakPolarHBondContact CE-O 3.28Å; M1-S215 WeakPolarHBondContact CG-O 3.25Å; M1-S215 PolarHBondContact SD-N 3.04Å; M1-S215 VanDerWaalsContact SD-O 3.33Å; M1-F216 HydrophobicContact CE-CD1 3.79Å; M1-F216 HydrophobicContact CE-CD2 3.37Å; M1-F216 HydrophobicContact CE-CE1 3.69Å; M1-F216 HydrophobicContact CE-CE2 3.25Å; M1-F216 HydrophobicContact CE-CG 3.66Å; M1-F216 HydrophobicContact CE-CZ 3.44Å; M1-F216 VanDerWaalsContact CE-CZ 3.44Å; M1-F216 HydrophobicContact SD-CD2 3.8Å; M1-F216 HydrophobicContact SD-CE2 3.64Å; M1-F216 HydrophobicContact SD-CZ 4.33Å
2G83.4Confident89.8Confident38 Ų3856.5 Ų56.539%0.39237%0.372SS..BIsolated β-bridgetrans116.1-174-177.400000112.7D53G2-D53 CarbonylContact C-O 3.5Å; G2-D53 WeakPolarHBondContact CA-O 3.47Å
3G85.9Confident90.4Very high56 Ų5655.2 Ų55.258%0.57736%0.36SS*.  trans93.117.9177.600000113.3D53G3-D53 PolarHBondContact N-O 2.92Å; G3-D53 PolarHBondContact N-OD2 2.83Å; G3-D53 VanDerWaalsContact N-OD2 3.1Å
4A86.7Confident90.9Very high45 Ų4551.4 Ų51.437%0.37234%0.335SS..SBendtrans-75.9-27.6178.600000112.2Y23 D53 C67A4-Y23 HydrophobicContact CB-CE1 4.4Å; A4-Y23 HydrophobicContact CB-CE2 3.6Å; A4-Y23 VanDerWaalsContact CB-OH 3.3Å; A4-Y23 WeakPolarHBondContact CB-OH 2.99Å; A4-D53 WeakPolarHBondContact CB-OD2 3.4Å; A4-D53 PolarHBondContact N-OD2 2.81Å; A4-C67 HydrophobicContact CB-CB 4.13Å
5V91.4Very high91.4Very high24 Ų2447.9 Ų47.915%0.14531%0.313CS..SBendtrans-132.2160.7-179.5-57.40000112.2L14 N17 L18 A21 D53V5-L14 HydrophobicContact CG2-CD1 4.31Å; V5-N17 HydrophobicContact CB-CB 4.07Å; V5-N17 HydrophobicContact CG2-CB 4.15Å; V5-L18 HydrophobicContact CG1-CD2 4.26Å; V5-L18 HydrophobicContact CG2-CD2 3.78Å; V5-L18 HydrophobicContact CG2-CG 4.14Å; V5-A21 HydrophobicContact CG1-CB 3.43Å; V5-A21 VanDerWaalsContact CG1-CB 3.43Å; V5-D53 HydrophobicContact CG2-CB 3.57Å
6S88.9Confident91.8Very high78 Ų7848.8 Ų48.855%0.54531%0.313SS..PPolyproline II helixtrans-64.9154.4173.1470000111.9N17S6-N17 PolarHBondContact O-ND2 3.32Å; S6-N17 PolarHBondContact OG-ND2 3.18Å
7A92.3Very high92.1Very high59 Ų5946.8 Ų46.849%0.48830%0.3SS..PPolyproline II helixtrans-61.2140170.800000110.8Y51 K52A7-Y51 WeakPolarHBondContact CA-O 2.99Å; A7-K52 HydrophobicContact CB-CG 3.9Å
8G93.2Very high92.4Very high15 Ų1544.2 Ų44.216%0.15528%0.283CS..PPolyproline II helixtrans-86.5160.2167.400000111.5Y51G8-Y51 PolarHBondContact N-O 3.09Å
9E93.6Very high92.7Very high177 Ų17746.3 Ų46.383%0.82729%0.287SS*.SBendtrans-74.9-34.5170-56.5-176.5170.500110.3D13 Y51E9-D13 WeakPolarHBondContact CB-OD2 3.09Å; E9-D13 PolarHBondContact N-OD2 2.92Å; E9-Y51 WeakPolarHBondContact O-CD2 3.24Å
10D95.8Very high92.9Very high73 Ų7349.9 Ų49.939%0.3930%0.301SS..SBendtrans-137.6-170.4173.368.422000112.7D12 D13 L14D10-D12 WeakPolarHBondContact OD1-CA 3.5Å; D10-D12 PolarHBondContact OD1-N 3.37Å; D10-D13 PolarHBondContact OD1-N 3.22Å; D10-L14 PolarHBondContact O-N 2.7Å; D10-L14 VanDerWaalsContact O-N 3.17Å
11N96.8Very high93.1Very high8 Ų849.6 Ų49.64%0.04330%0.303CS..Hα-helixtrans-65.2-41.8178-170.676.5000112D13 L14 I15 F33 R38 Y51N11-D13 PolarHBondContact O-N 3.09Å; N11-L14 PolarHBondContact O-N 3.42Å; N11-I15 WeakPolarHBondContact O-CG1 3.48Å; N11-I15 PolarHBondContact O-N 3.32Å; N11-F33 PolarHBondContact ND2-O 2.61Å; N11-R38 PolarHBondContact OD1-N 3.24Å; N11-Y51 HydrophobicContact CB-CD1 4.22Å; N11-Y51 HydrophobicContact CB-CE1 3.9Å
12D97.1Very high94.2Very high40 Ų4052.4 Ų52.421%0.21432%0.316CS..Hα-helixtrans-65-41.2-177-95.9-16.9000111D10 I15 D16 R34 R271D10-D12 WeakPolarHBondContact OD1-CA 3.5Å; D10-D12 PolarHBondContact OD1-N 3.37Å; D12-I15 PolarHBondContact O-N 3.37Å; D12-D16 PolarHBondContact O-N 2.88Å; D12-R34 PolarHBondContact O-NH1 3.33Å; D12-R34 VanDerWaalsContact O-NH1 3.11Å; D12-R34 WeakPolarHBondContact OD1-CD 3.36Å; D12-R34 WeakPolarHBondContact OD1-CG 3.45Å; D12-R34 IonicContact OD1-CZ 3.27Å; D12-R34 IonicContact OD1-NH1 2.65Å; D12-R34 PolarHBondContact OD1-NH1 3.47Å; D12-R271 IonicContact OD2-NH1 3.39Å; D12-R271 PolarHBondContact OD2-NH1 2.83Å
13D97.5Very high94.8Very high40 Ų4053.5 Ų53.521%0.21431%0.308CS..Hα-helixtrans-63.6-41.8173.9-85.2-8000112.7E9 D10 N11 I15 D16 N17E9-D13 WeakPolarHBondContact CB-OD2 3.09Å; E9-D13 PolarHBondContact N-OD2 2.92Å; D10-D13 PolarHBondContact OD1-N 3.22Å; N11-D13 PolarHBondContact O-N 3.09Å; D13-I15 VanDerWaalsContact C-N 3.28Å; D13-I15 PolarHBondContact O-N 3.18Å; D13-D16 PolarHBondContact O-N 2.73Å; D13-N17 VanDerWaalsContact O-CG 3.25Å; D13-N17 PolarHBondContact O-N 3.3Å; D13-N17 PolarHBondContact O-ND2 3.35Å
14L97.7Very high95.4Very high1 Ų151 Ų511%0.00528%0.282CS..Hα-helixtrans-60.3-42174170.364000110.5V5 D10 N11 N17 L18 P66V5-L14 HydrophobicContact CG2-CD1 4.31Å; D10-L14 PolarHBondContact O-N 2.7Å; D10-L14 VanDerWaalsContact O-N 3.17Å; N11-L14 PolarHBondContact O-N 3.42Å; L14-N17 PolarHBondContact O-N 3.42Å; L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.79Å; L14-L18 VanDerWaalsContact O-N 3.08Å; L14-P66 HydrophobicContact CD1-CB 4.3Å; L14-P66 HydrophobicContact CD1-CG 4.25Å; L14-P66 HydrophobicContact CD2-CB 4.05Å; L14-P66 HydrophobicContact CD2-CG 3.67Å; L14-P66 HydrophobicContact CG-CB 4.48Å; L14-P66 HydrophobicContact CG-CG 4.48Å
15I98.1Very high95.9Very high0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-66.6-40.8178.9-58.8-28.9000110.6N11 D12 D13 N17 L18 K19 I24 E30 F33 R34N11-I15 WeakPolarHBondContact O-CG1 3.48Å; N11-I15 PolarHBondContact O-N 3.32Å; D12-I15 PolarHBondContact O-N 3.37Å; D13-I15 VanDerWaalsContact C-N 3.28Å; D13-I15 PolarHBondContact O-N 3.18Å; I15-N17 PolarHBondContact O-N 2.94Å; I15-L18 HydrophobicContact CD1-CD1 4.26Å; I15-L18 PolarHBondContact O-N 2.97Å; I15-K19 WeakPolarHBondContact O-CB 3.38Å; I15-K19 PolarHBondContact O-N 3.3Å; I15-I24 HydrophobicContact CG2-CD1 3.86Å; I15-E30 HydrophobicContact CG2-CG 4.04Å; I15-F33 HydrophobicContact CD1-CB 3.68Å; I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CG 4.09Å; I15-F33 HydrophobicContact CG1-CB 3.96Å; I15-F33 HydrophobicContact CG2-CB 4.47Å; I15-R34 HydrophobicContact CB-CG 4.26Å; I15-R34 HydrophobicContact CG1-CG 4.11Å; I15-R34 HydrophobicContact CG2-CG 3.99Å
16D97.9Very high96.2Very high61 Ų6156.3 Ų56.333%0.32630%0.297SS..Hα-helixtrans-58.1-46.9174.6-78.5-16.4000111.6D12 D13 L18 K19 E20 R34D12-D16 PolarHBondContact O-N 2.88Å; D13-D16 PolarHBondContact O-N 2.73Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.06Å; D16-K19 PolarHBondContact O-N 3.44Å; D16-E20 WeakPolarHBondContact O-CG 3.44Å; D16-E20 PolarHBondContact O-N 3.19Å; D16-R34 IonicContact OD1-CZ 2.77Å; D16-R34 IonicContact OD1-NH1 2.69Å; D16-R34 IonicContact OD1-NH2 3.39Å; D16-R34 PolarHBondContact OD1-NH2 3.21Å
17N97.5Very high96.6Very high16 Ų1657.8 Ų57.89%0.08630%0.295CS..Hα-helixtrans-59.5-43176.9-67.7-18.3000111.9V5 S6 D13 L14 I15 A21 R276V5-N17 HydrophobicContact CB-CB 4.07Å; V5-N17 HydrophobicContact CG2-CB 4.15Å; S6-N17 PolarHBondContact O-ND2 3.32Å; S6-N17 PolarHBondContact OG-ND2 3.18Å; D13-N17 VanDerWaalsContact O-CG 3.25Å; D13-N17 PolarHBondContact O-N 3.3Å; D13-N17 PolarHBondContact O-ND2 3.35Å; L14-N17 PolarHBondContact O-N 3.42Å; I15-N17 PolarHBondContact O-N 2.94Å; N17-A21 WeakPolarHBondContact O-CB 3.34Å; N17-A21 PolarHBondContact O-N 3.01Å; N17-R276 PolarHBondContact OD1-NH2 3.4Å
18L97.8Very high96.8Very high0 Ų059.4 Ų59.40%029%0.291CS..Hα-helixtrans-66.9-35.7177.9-70.7166.6000112.8V5 L14 I15 D16 Q22 Y23 I24 P66 C67V5-L18 HydrophobicContact CG1-CD2 4.26Å; V5-L18 HydrophobicContact CG2-CD2 3.78Å; V5-L18 HydrophobicContact CG2-CG 4.14Å; L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.79Å; L14-L18 VanDerWaalsContact O-N 3.08Å; I15-L18 HydrophobicContact CD1-CD1 4.26Å; I15-L18 PolarHBondContact O-N 2.97Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.06Å; L18-Q22 PolarHBondContact O-N 3.48Å; L18-Y23 HydrophobicContact CD2-CG 4.46Å; L18-Y23 PolarHBondContact O-N 3.35Å; L18-I24 HydrophobicContact CB-CD1 3.85Å; L18-I24 HydrophobicContact CB-CG1 4.08Å; L18-I24 HydrophobicContact CD1-CD1 4.09Å; L18-I24 PolarHBondContact O-N 3.42Å; L18-P66 HydrophobicContact CD1-CB 3.68Å; L18-P66 HydrophobicContact CD2-CB 4.41Å; L18-C67 HydrophobicContact CD2-CB 3.96Å
19K97.5Very high97.1Very high83 Ų8359 Ų5936%0.36129%0.285SS..Hα-helixtrans-70.4-46.4176.8-176.4178.5179170.90111.6I15 D16 A21 Q22 E30I15-K19 WeakPolarHBondContact O-CB 3.38Å; I15-K19 PolarHBondContact O-N 3.3Å; D16-K19 PolarHBondContact O-N 3.44Å; K19-A21 PolarHBondContact O-N 3.17Å; K19-Q22 PolarHBondContact O-N 3.32Å; K19-Q22 PolarHBondContact O-NE2 3.34Å; K19-Q22 VanDerWaalsContact O-NE2 3.12Å; K19-E30 WeakPolarHBondContact CD-OE2 3.32Å; K19-E30 VanDerWaalsContact CE-OE2 3.22Å; K19-E30 WeakPolarHBondContact CE-OE2 3.24Å; K19-E30 VanDerWaalsContact NZ-CD 3.26Å; K19-E30 IonicContact NZ-OE1 3.72Å; K19-E30 PolarHBondContact NZ-OE1 3.33Å; K19-E30 VanDerWaalsContact NZ-OE1 3.07Å; K19-E30 IonicContact NZ-OE2 3.02Å; K19-E30 PolarHBondContact NZ-OE2 2.85Å
20E97.1Very high97.3Very high119 Ų11951.3 Ų51.356%0.55625%0.249SC*.Hα-helixtrans-58.4-40.2175.1-74.4-179.4163.100111.6D16 Q22 R276D16-E20 WeakPolarHBondContact O-CG 3.44Å; D16-E20 PolarHBondContact O-N 3.19Å; E20-Q22 PolarHBondContact O-N 3.28Å; E20-R276 VanDerWaalsContact CD-NH2 3.31Å; E20-R276 IonicContact OE1-CZ 2.63Å; E20-R276 VanDerWaalsContact OE1-CZ 3.27Å; E20-R276 IonicContact OE1-NH1 3.98Å; E20-R276 PolarHBondContact OE1-NH1 2.79Å; E20-R276 IonicContact OE1-NH2 2.92Å; E20-R276 PolarHBondContact OE1-NH2 3.08Å; E20-R276 IonicContact OE2-CZ 3.71Å; E20-R276 IonicContact OE2-NH1 3.24Å; E20-R276 PolarHBondContact OE2-NH1 2.84Å; E20-R276 IonicContact OE2-NH2 3.15Å; E20-R276 PolarHBondContact OE2-NH2 3.34Å
21A96Very high97.4Very high43 Ų4351.8 Ų51.836%0.35525%0.249SC..THydrogen-bonded Turntrans-78.45.4176.200000114.6V5 N17 K19 Y23V5-A21 HydrophobicContact CG1-CB 3.43Å; V5-A21 VanDerWaalsContact CG1-CB 3.43Å; N17-A21 WeakPolarHBondContact O-CB 3.34Å; N17-A21 PolarHBondContact O-N 3.01Å; K19-A21 PolarHBondContact O-N 3.17Å; A21-Y23 VanDerWaalsContact C-N 3.26Å; A21-Y23 HydrophobicContact CB-CD2 3.79Å; A21-Y23 HydrophobicContact CB-CE2 4.18Å; A21-Y23 PolarHBondContact O-N 3.11Å
22Q96.3Very high97.4Very high124 Ų12451.5 Ų51.558%0.57925%0.248SC*.THydrogen-bonded Turntrans63.921176.4-57.8-64.7-63.400115.8L18 K19 E20 R25L18-Q22 PolarHBondContact O-N 3.48Å; K19-Q22 PolarHBondContact O-N 3.32Å; K19-Q22 PolarHBondContact O-NE2 3.34Å; K19-Q22 VanDerWaalsContact O-NE2 3.12Å; E20-Q22 PolarHBondContact O-N 3.28Å; Q22-R25 WeakPolarHBondContact O-CG 3.49Å; Q22-R25 PolarHBondContact O-NH1 3.23Å
23Y96.8Very high97.5Very high61 Ų6149.6 Ų49.624%0.23924%0.238CC..SBendtrans-78.7-38.7170.4-78.3-88.7000111.6A4 L18 A21 C67 S70 E71A4-Y23 HydrophobicContact CB-CE1 4.4Å; A4-Y23 HydrophobicContact CB-CE2 3.6Å; A4-Y23 VanDerWaalsContact CB-OH 3.3Å; A4-Y23 WeakPolarHBondContact CB-OH 2.99Å; L18-Y23 HydrophobicContact CD2-CG 4.46Å; L18-Y23 PolarHBondContact O-N 3.35Å; A21-Y23 VanDerWaalsContact C-N 3.26Å; A21-Y23 HydrophobicContact CB-CD2 3.79Å; A21-Y23 HydrophobicContact CB-CE2 4.18Å; A21-Y23 PolarHBondContact O-N 3.11Å; Y23-C67 HydrophobicContact CD1-CB 3.68Å; Y23-C67 HydrophobicContact CE1-CB 3.77Å; Y23-C67 HydrophobicContact CG-CB 4.15Å; Y23-S70 WeakPolarHBondContact O-CB 3.42Å; Y23-E71 HydrophobicContact CD1-CG 3.79Å; Y23-E71 HydrophobicContact CE1-CG 4.18Å
24I98.1Very high97.5Very high3 Ų350.7 Ų50.72%0.01524%0.239CC..  trans-101.4122.6170-64.1174.6000107.7I15 L18 V29 E30 F33 S70I15-I24 HydrophobicContact CG2-CD1 3.86Å; L18-I24 HydrophobicContact CB-CD1 3.85Å; L18-I24 HydrophobicContact CB-CG1 4.08Å; L18-I24 HydrophobicContact CD1-CD1 4.09Å; L18-I24 PolarHBondContact O-N 3.42Å; I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.46Å; I24-V29 HydrophobicContact CG2-CG1 4.16Å; I24-E30 HydrophobicContact CG2-CB 3.76Å; I24-F33 HydrophobicContact CD1-CB 4.28Å; I24-F33 HydrophobicContact CD1-CD1 4.32Å; I24-F33 HydrophobicContact CD1-CD2 4.2Å; I24-F33 HydrophobicContact CD1-CG 4.03Å; I24-S70 WeakPolarHBondContact CG1-OG 3.41Å
25R97.4Very high97.5Very high121 Ų12151 Ų5146%0.45724%0.241SC..  trans-123.6-28.3-169.8-62.9176.5-79.9-112.74.6112.4Q22 E71 E74Q22-R25 WeakPolarHBondContact O-CG 3.49Å; Q22-R25 PolarHBondContact O-NH1 3.23Å; R25-E71 IonicContact CZ-OE1 3.91Å; R25-E71 IonicContact CZ-OE2 3.42Å; R25-E71 IonicContact NH1-OE1 3.62Å; R25-E71 PolarHBondContact NH1-OE1 3.29Å; R25-E71 IonicContact NH1-OE2 2.75Å; R25-E71 IonicContact NH2-OE1 3.6Å; R25-E71 PolarHBondContact NH2-OE1 2.75Å; R25-E71 IonicContact NH2-OE2 3.87Å; R25-E71 PolarHBondContact NH2-OE2 3.45Å; R25-E74 WeakPolarHBondContact CA-OE1 3.36Å; R25-E74 PolarHBondContact N-OE1 2.95Å
26T97.9Very high97.4Very high61 Ų6151 Ų5137%0.37424%0.241SC..SBendtrans-109140-176.659.60000112K28 V29 E30 E74T26-K28 VanDerWaalsContact C-N 3.25Å; T26-K28 PolarHBondContact O-N 3.46Å; T26-V29 PolarHBondContact O-N 2.86Å; T26-V29 WeakPolarHBondContact OG1-CB 3.33Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.4Å; T26-E30 PolarHBondContact O-N 3.2Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.48Å; T26-E74 PolarHBondContact N-OE1 3.34Å; T26-E74 PolarHBondContact OG1-OE1 2.65Å; T26-E74 PolarHBondContact OG1-OE2 3.17Å
27E96.9Very high97.4Very high108 Ų10849.8 Ų49.851%0.50524%0.235SC..Hα-helixtrans-55.4-39.3179.8-175.662.5-154.600112.5V29 E30 Q31E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3.32Å; E27-E30 PolarHBondContact O-N 2.96Å; E27-Q31 HydrophobicContact CG-CG 4.39Å; E27-Q31 WeakPolarHBondContact O-CB 3.38Å; E27-Q31 VanDerWaalsContact O-CG 3.24Å; E27-Q31 WeakPolarHBondContact O-CG 3.33Å; E27-Q31 PolarHBondContact O-N 3.09Å; E27-Q31 PolarHBondContact OE1-NE2 2.82Å
28K96.8Very high97.4Very high94 Ų9449.1 Ų49.141%0.40923%0.231SC..Hα-helixtrans-63.5-38.9178.8-65-173.1-175.9-173.40112.4T26 A32T26-K28 VanDerWaalsContact C-N 3.25Å; T26-K28 PolarHBondContact O-N 3.46Å; K28-A32 WeakPolarHBondContact O-CB 3.49Å; K28-A32 PolarHBondContact O-N 3.01Å
29V98.2Very high97.3Very high5 Ų549.3 Ų49.33%0.0323%0.233CC..Hα-helixtrans-71.1-45.8178.1173.20000109.4I24 T26 E27 Q31 A32 F33 M73 I101I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.46Å; I24-V29 HydrophobicContact CG2-CG1 4.16Å; T26-V29 PolarHBondContact O-N 2.86Å; T26-V29 WeakPolarHBondContact OG1-CB 3.33Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.4Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3.32Å; V29-Q31 PolarHBondContact O-N 2.71Å; V29-A32 PolarHBondContact O-N 2.99Å; V29-F33 HydrophobicContact CG1-CD2 3.75Å; V29-F33 HydrophobicContact CG1-CE2 3.79Å; V29-F33 WeakPolarHBondContact O-CD2 3.11Å; V29-F33 PolarHBondContact O-N 3.05Å; V29-M73 HydrophobicContact CG1-CB 3.94Å; V29-M73 HydrophobicContact CG2-CB 4.08Å; V29-I101 HydrophobicContact CG2-CD1 4.44Å
30E98.3Very high97.3Very high16 Ų1648.9 Ų48.98%0.07524%0.235CC..Hα-helixtrans-54.8-51.2175-179.7175.1-179.800111.9I15 K19 I24 T26 E27 A32 F33 R34I15-E30 HydrophobicContact CG2-CG 4.04Å; K19-E30 WeakPolarHBondContact CD-OE2 3.32Å; K19-E30 VanDerWaalsContact CE-OE2 3.22Å; K19-E30 WeakPolarHBondContact CE-OE2 3.24Å; K19-E30 VanDerWaalsContact NZ-CD 3.26Å; K19-E30 IonicContact NZ-OE1 3.72Å; K19-E30 PolarHBondContact NZ-OE1 3.33Å; K19-E30 VanDerWaalsContact NZ-OE1 3.07Å; K19-E30 IonicContact NZ-OE2 3.02Å; K19-E30 PolarHBondContact NZ-OE2 2.85Å; I24-E30 HydrophobicContact CG2-CB 3.76Å; T26-E30 PolarHBondContact O-N 3.2Å; E27-E30 PolarHBondContact O-N 2.96Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.22Å; E30-F33 PolarHBondContact O-N 3.43Å; E30-R34 HydrophobicContact CG-CG 4.47Å; E30-R34 WeakPolarHBondContact O-CG 3.43Å; E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 IonicContact OE1-CZ 2.82Å; E30-R34 IonicContact OE1-NE 3.2Å; E30-R34 PolarHBondContact OE1-NE 2.92Å; E30-R34 VanDerWaalsContact OE1-NE 3.14Å; E30-R34 IonicContact OE1-NH2 3.35Å; E30-R34 PolarHBondContact OE1-NH2 3.26Å
31Q97.8Very high97.3Very high84 Ų8443.4 Ų43.439%0.39321%0.209SC..Hα-helixtrans-58.6-40.4179.7-73.91774.200112.3E27 V29 A35 F138E27-Q31 HydrophobicContact CG-CG 4.39Å; E27-Q31 WeakPolarHBondContact O-CB 3.38Å; E27-Q31 VanDerWaalsContact O-CG 3.24Å; E27-Q31 WeakPolarHBondContact O-CG 3.33Å; E27-Q31 PolarHBondContact O-N 3.09Å; E27-Q31 PolarHBondContact OE1-NE2 2.82Å; V29-Q31 PolarHBondContact O-N 2.71Å; Q31-A35 WeakPolarHBondContact O-CB 3.17Å; Q31-A35 PolarHBondContact O-N 3.44Å; Q31-F138 HydrophobicContact CB-CE1 4.22Å; Q31-F138 HydrophobicContact CB-CZ 4.17Å
32A98Very high97.3Very high1 Ų141.6 Ų41.61%0.00819%0.193CC..Hα-helixtrans-66.4-41.7177.500000112.4K28 V29 E30 A35 I36 M97 I101K28-A32 WeakPolarHBondContact O-CB 3.49Å; K28-A32 PolarHBondContact O-N 3.01Å; V29-A32 PolarHBondContact O-N 2.99Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.22Å; A32-A35 PolarHBondContact O-N 3.3Å; A32-I36 PolarHBondContact O-N 3.36Å; A32-M97 HydrophobicContact CB-CB 4.35Å; A32-I101 HydrophobicContact CB-CD1 3.91Å; A32-I101 HydrophobicContact CB-CG1 3.88Å
33F98.3Very high97.2Very high1 Ų137.8 Ų37.80%0.00418%0.177CC..Hα-helixtrans-67.1-36.2177.4-94.5-95.3000112.8N11 I15 I24 V29 E30 I36 M73 M97N11-F33 PolarHBondContact ND2-O 2.61Å; I15-F33 HydrophobicContact CD1-CB 3.68Å; I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CG 4.09Å; I15-F33 HydrophobicContact CG1-CB 3.96Å; I15-F33 HydrophobicContact CG2-CB 4.47Å; I24-F33 HydrophobicContact CD1-CB 4.28Å; I24-F33 HydrophobicContact CD1-CD1 4.32Å; I24-F33 HydrophobicContact CD1-CD2 4.2Å; I24-F33 HydrophobicContact CD1-CG 4.03Å; V29-F33 HydrophobicContact CG1-CD2 3.75Å; V29-F33 HydrophobicContact CG1-CE2 3.79Å; V29-F33 WeakPolarHBondContact O-CD2 3.11Å; V29-F33 PolarHBondContact O-N 3.05Å; E30-F33 PolarHBondContact O-N 3.43Å; F33-I36 VanDerWaalsContact O-O 3.12Å; F33-M73 HydrophobicContact CE2-CB 4.37Å; F33-M73 HydrophobicContact CE2-CG 4.02Å; F33-M97 HydrophobicContact CD1-SD 3.97Å; F33-M97 HydrophobicContact CD2-SD 3.78Å; F33-M97 HydrophobicContact CE1-CE 4.35Å; F33-M97 HydrophobicContact CE1-SD 4.1Å; F33-M97 HydrophobicContact CE2-CE 4.3Å; F33-M97 HydrophobicContact CE2-SD 3.92Å; F33-M97 HydrophobicContact CG-SD 3.83Å; F33-M97 HydrophobicContact CZ-CE 4.1Å; F33-M97 HydrophobicContact CZ-SD 4.07Å
34R97.9Very high96.8Very high63 Ų6342.1 Ų42.124%0.23820%0.204CC..Hα-helixtrans-73.1-33.1174.2-66.4-171.1-173.6-76-1.6112.9D12 I15 D16 E30 I36D12-R34 PolarHBondContact O-NH1 3.33Å; D12-R34 VanDerWaalsContact O-NH1 3.11Å; D12-R34 WeakPolarHBondContact OD1-CD 3.36Å; D12-R34 WeakPolarHBondContact OD1-CG 3.45Å; D12-R34 IonicContact OD1-CZ 3.27Å; D12-R34 IonicContact OD1-NH1 2.65Å; D12-R34 PolarHBondContact OD1-NH1 3.47Å; I15-R34 HydrophobicContact CB-CG 4.26Å; I15-R34 HydrophobicContact CG1-CG 4.11Å; I15-R34 HydrophobicContact CG2-CG 3.99Å; D16-R34 IonicContact OD1-CZ 2.77Å; D16-R34 IonicContact OD1-NH1 2.69Å; D16-R34 IonicContact OD1-NH2 3.39Å; D16-R34 PolarHBondContact OD1-NH2 3.21Å; E30-R34 HydrophobicContact CG-CG 4.47Å; E30-R34 WeakPolarHBondContact O-CG 3.43Å; E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 IonicContact OE1-CZ 2.82Å; E30-R34 IonicContact OE1-NE 3.2Å; E30-R34 PolarHBondContact OE1-NE 2.92Å; E30-R34 VanDerWaalsContact OE1-NE 3.14Å; E30-R34 IonicContact OE1-NH2 3.35Å; E30-R34 PolarHBondContact OE1-NH2 3.26Å; R34-I36 VanDerWaalsContact C-N 3.26Å; R34-I36 PolarHBondContact O-N 3.38Å
35A96.9Very high96.3Very high6 Ų645.5 Ų45.55%0.0524%0.239CC..Hα-helixtrans-69.4-24.8-177.500000113.5Q31 A32 L100 S134 F138Q31-A35 WeakPolarHBondContact O-CB 3.17Å; Q31-A35 PolarHBondContact O-N 3.44Å; A32-A35 PolarHBondContact O-N 3.3Å; A35-L100 HydrophobicContact CB-CD1 3.53Å; A35-S134 WeakPolarHBondContact O-CB 3.47Å; A35-S134 PolarHBondContact O-OG 3.3Å; A35-F138 HydrophobicContact CB-CD2 4.04Å; A35-F138 HydrophobicContact CB-CE2 3.38Å; A35-F138 HydrophobicContact CB-CZ 3.75Å
36I97.2Very high96.1Very high2 Ų244.5 Ų44.51%0.0124%0.236CC..SBendtrans-122.3104.4-176.1-56.4-176.1000108.3A32 F33 R34 R38 Y41 Y93 T96 M97 L100 F128A32-I36 PolarHBondContact O-N 3.36Å; F33-I36 VanDerWaalsContact O-O 3.12Å; R34-I36 VanDerWaalsContact C-N 3.26Å; R34-I36 PolarHBondContact O-N 3.38Å; I36-R38 PolarHBondContact O-N 2.77Å; I36-Y41 HydrophobicContact CG2-CD2 4.04Å; I36-Y41 HydrophobicContact CG2-CE2 3.33Å; I36-Y93 HydrophobicContact CB-CE2 4.27Å; I36-Y93 HydrophobicContact CG2-CD2 3.81Å; I36-Y93 HydrophobicContact CG2-CE2 3.61Å; I36-T96 VanDerWaalsContact CD1-C 3.42Å; I36-T96 HydrophobicContact CD1-CG2 3.41Å; I36-T96 VanDerWaalsContact CD1-CG2 3.41Å; I36-M97 HydrophobicContact CB-CG 4.2Å; I36-M97 HydrophobicContact CD1-CB 4.2Å; I36-M97 HydrophobicContact CD1-CG 3.68Å; I36-M97 VanDerWaalsContact CD1-N 3.3Å; I36-M97 HydrophobicContact CG1-CG 4.32Å; I36-L100 HydrophobicContact CD1-CD1 3.57Å; I36-L100 HydrophobicContact CD1-CG 4.16Å; I36-L100 HydrophobicContact CG1-CD1 3.6Å; I36-F128 HydrophobicContact CG1-CE2 3.97Å; I36-F128 HydrophobicContact CG1-CZ 4.35Å
37D97.1Very high95.8Very high35 Ų3547 Ų4719%0.18724%0.239CC..  trans-63.5119.6175.4-174.8-21.2000109.3G39 D40 R47 Y51D37-G39 PolarHBondContact O-N 2.86Å; D37-G39 WeakPolarHBondContact OD1-CA 3.4Å; D37-G39 PolarHBondContact OD1-N 3.49Å; D37-D40 WeakPolarHBondContact O-CB 3.41Å; D37-D40 PolarHBondContact O-N 2.62Å; D37-D40 VanDerWaalsContact O-N 3.16Å; D37-R47 IonicContact OD2-CZ 2.71Å; D37-R47 IonicContact OD2-NH2 3.02Å; D37-R47 PolarHBondContact OD2-NH2 3.17Å; D37-Y51 VanDerWaalsContact OD1-CE1 3.29Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.08Å; D37-Y51 PolarHBondContact OD1-OH 2.76Å; D37-Y51 PolarHBondContact OD2-OH 2.76Å
38R97.3Very high95.4Very high1 Ų149 Ų490%0.00425%0.253CS..G310 helixtrans-57-34.5176.5-179.6174.5171.892.40.8112.6N11 I36 D40 Y41 Y42 A50 L54 L63 S64 Y93N11-R38 PolarHBondContact OD1-N 3.24Å; I36-R38 PolarHBondContact O-N 2.77Å; R38-D40 VanDerWaalsContact C-N 3.26Å; R38-D40 PolarHBondContact O-N 2.95Å; R38-Y41 PolarHBondContact O-N 3.2Å; R38-Y42 HydrophobicContact CG-CE2 4.08Å; R38-Y42 PolarHBondContact NH2-OH 3.01Å; R38-Y42 WeakPolarHBondContact O-CD2 3.37Å; R38-A50 WeakPolarHBondContact CD-O 3.12Å; R38-A50 PolarHBondContact NE-O 3.1Å; R38-A50 VanDerWaalsContact NE-O 3.13Å; R38-L54 PolarHBondContact NH2-O 3.23Å; R38-L63 HydrophobicContact CG-CD2 4.48Å; R38-S64 PolarHBondContact NH1-O 3.27Å; R38-S64 PolarHBondContact NH2-O 2.86Å; R38-Y93 HydrophobicContact CB-CE2 4.1Å
39G96.8Very high95.2Very high4 Ų446.2 Ų46.24%0.04125%0.245CC..G310 helixtrans-62.5-30.2178.800000113.4D37 Y41 Y42D37-G39 PolarHBondContact O-N 2.86Å; D37-G39 WeakPolarHBondContact OD1-CA 3.4Å; D37-G39 PolarHBondContact OD1-N 3.49Å; G39-Y41 PolarHBondContact O-N 3.04Å; G39-Y42 PolarHBondContact O-N 3.25Å; G39-Y42 VanDerWaalsContact O-N 3.17Å
40D96.5Very high95Very high75 Ų7546 Ų4640%0.40124%0.244SC..G310 helixtrans-67.1-20178.2-68.1-12.2000112.3D37 R38 K124D37-D40 WeakPolarHBondContact O-CB 3.41Å; D37-D40 PolarHBondContact O-N 2.62Å; D37-D40 VanDerWaalsContact O-N 3.16Å; R38-D40 VanDerWaalsContact C-N 3.26Å; R38-D40 PolarHBondContact O-N 2.95Å; D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.21Å; D40-K124 WeakPolarHBondContact O-CE 3.35Å; D40-K124 PolarHBondContact O-NZ 2.82Å
41Y97Very high95Very high3 Ų346.4 Ų46.41%0.01225%0.245CC..G310 helixtrans-95.6-1.4179.7-73.9-104.5000113.3I36 R38 G39 T91 Y93 T96 Y120 K124I36-Y41 HydrophobicContact CG2-CD2 4.04Å; I36-Y41 HydrophobicContact CG2-CE2 3.33Å; R38-Y41 PolarHBondContact O-N 3.2Å; G39-Y41 PolarHBondContact O-N 3.04Å; Y41-T91 WeakPolarHBondContact CD1-O 3.16Å; Y41-Y93 HydrophobicContact CD1-CD2 4.16Å; Y41-Y93 HydrophobicContact CD1-CG 4.38Å; Y41-Y93 AromaticContact CD2-CD2 3.54Å; Y41-Y93 HydrophobicContact CD2-CD2 3.54Å; Y41-Y93 HydrophobicContact CD2-CE2 4.27Å; Y41-Y93 HydrophobicContact CD2-CG 4.47Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.45Å; Y41-Y93 HydrophobicContact CE1-CD2 4.48Å; Y41-Y93 AromaticContact CE2-CD2 3.94Å; Y41-Y93 HydrophobicContact CE2-CD2 3.94Å; Y41-Y93 AromaticContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CG 4.18Å; Y41-T96 VanDerWaalsContact OH-CB 3.24Å; Y41-T96 WeakPolarHBondContact OH-CB 3.38Å; Y41-T96 VanDerWaalsContact OH-CG2 3.28Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.44Å; Y41-T96 PolarHBondContact OH-OG1 2.8Å; Y41-Y120 PolarHBondContact O-OH 2.9Å; Y41-K124 HydrophobicContact CD1-CB 3.83Å; Y41-K124 HydrophobicContact CD1-CG 4.21Å; Y41-K124 HydrophobicContact CE1-CB 3.73Å
42Y96.1Very high94.9Very high5 Ų547 Ų472%0.0225%0.246CC..SBendtrans-82.8157.4170.8-86.1-124.2000110.9R38 G39 Y46 A50 W56 L63 Y120R38-Y42 HydrophobicContact CG-CE2 4.08Å; R38-Y42 PolarHBondContact NH2-OH 3.01Å; R38-Y42 WeakPolarHBondContact O-CD2 3.37Å; G39-Y42 PolarHBondContact O-N 3.25Å; G39-Y42 VanDerWaalsContact O-N 3.17Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.21Å; Y42-A50 HydrophobicContact CD1-CB 4.23Å; Y42-A50 HydrophobicContact CD2-CB 3.81Å; Y42-A50 HydrophobicContact CE1-CB 4.19Å; Y42-A50 HydrophobicContact CE2-CB 3.78Å; Y42-A50 HydrophobicContact CG-CB 4.05Å; Y42-W56 AromaticContact CD1-CD2 3.77Å; Y42-W56 HydrophobicContact CD1-CD2 3.77Å; Y42-W56 AromaticContact CD1-CE2 3.84Å; Y42-W56 HydrophobicContact CD1-CE3 4.15Å; Y42-W56 HydrophobicContact CD1-CG 4.05Å; Y42-W56 HydrophobicContact CD1-CZ2 4.29Å; Y42-W56 HydrophobicContact CE1-CB 3.69Å; Y42-W56 AromaticContact CE1-CD1 3.57Å; Y42-W56 AromaticContact CE1-CD2 3.53Å; Y42-W56 HydrophobicContact CE1-CD2 3.53Å; Y42-W56 AromaticContact CE1-CE2 3.93Å; Y42-W56 HydrophobicContact CE1-CE3 4.11Å; Y42-W56 AromaticContact CE1-CG 3.31Å; Y42-W56 HydrophobicContact CE1-CG 3.31Å; Y42-W56 AromaticContact CE1-NE1 3.92Å; Y42-W56 HydrophobicContact CG-CD2 4.47Å; Y42-W56 HydrophobicContact CG-CE3 4.4Å; Y42-W56 AromaticContact CZ-CG 3.72Å; Y42-W56 WeakPolarHBondContact OH-CB 2.92Å; Y42-L63 HydrophobicContact CD2-CD2 4.2Å; Y42-L63 HydrophobicContact CE2-CD2 3.89Å; Y42-Y120 PolarHBondContact O-OH 3.44Å
43L94.1Very high94.8Very high45 Ų4547 Ų4724%0.23625%0.246CC..PPolyproline II helixtrans-67.2148.6167-72.9169.8000110G45 Y46 W56 H58 I61 Y120L43-G45 PolarHBondContact O-N 3.42Å; L43-Y46 HydrophobicContact CB-CD2 3.85Å; L43-Y46 HydrophobicContact CB-CE2 4.44Å; L43-Y46 PolarHBondContact O-N 2.93Å; L43-Y46 VanDerWaalsContact O-N 3.08Å; L43-W56 HydrophobicContact CB-CH2 3.93Å; L43-W56 HydrophobicContact CB-CZ2 4.22Å; L43-W56 HydrophobicContact CD1-CH2 3.81Å; L43-W56 HydrophobicContact CD1-CZ2 4.21Å; L43-W56 HydrophobicContact CG-CH2 3.75Å; L43-W56 HydrophobicContact CG-CZ2 4.39Å; L43-H58 HydrophobicContact CD1-CB 4.01Å; L43-I61 HydrophobicContact CD1-CD1 4.29Å; L43-I61 HydrophobicContact CD2-CD1 4.15Å; L43-I61 HydrophobicContact CG-CD1 4.28Å; L43-Y120 HydrophobicContact CD2-CD2 4.35Å; L43-Y120 HydrophobicContact CD2-CE2 3.65Å; L43-Y120 HydrophobicContact CG-CE2 4.48Å; L43-Y120 PolarHBondContact N-OH 3.44Å
44D87.9Confident94.6Very high152 Ų15251.1 Ų51.181%0.81327%0.268SS*.THydrogen-bonded Turntrans-54.3136.6175.1-62.4-28.2000110.5Y46D44-Y46 VanDerWaalsContact C-N 3.34Å; D44-Y46 PolarHBondContact O-N 2.89Å
45G89.1Confident94.5Very high74 Ų7449.8 Ų49.876%0.76327%0.27SS*.THydrogen-bonded Turntrans84.3-5.5-176.400000115.7L43L43-G45 PolarHBondContact O-N 3.42Å
46Y92.3Very high94.4Very high99 Ų9950.7 Ų50.739%0.38827%0.273SS..  trans-109.50.2175.8-64.4-82.4000114.2Y42 L43 D44 D48 S49 W56 H58Y42-Y46 WeakPolarHBondContact CD1-O 3.21Å; L43-Y46 HydrophobicContact CB-CD2 3.85Å; L43-Y46 HydrophobicContact CB-CE2 4.44Å; L43-Y46 PolarHBondContact O-N 2.93Å; L43-Y46 VanDerWaalsContact O-N 3.08Å; D44-Y46 VanDerWaalsContact C-N 3.34Å; D44-Y46 PolarHBondContact O-N 2.89Å; Y46-D48 VanDerWaalsContact C-N 3.26Å; Y46-D48 PolarHBondContact O-N 2.9Å; Y46-S49 PolarHBondContact O-N 2.94Å; Y46-S49 VanDerWaalsContact O-N 3.15Å; Y46-S49 PolarHBondContact O-OG 2.92Å; Y46-W56 AromaticContact CD1-NE1 3.98Å; Y46-W56 HydrophobicContact CD2-CZ2 4.14Å; Y46-W56 AromaticContact CG-CZ2 3.98Å; Y46-W56 HydrophobicContact CG-CZ2 3.98Å; Y46-H58 AromaticContact CZ-CE1 3.85Å; Y46-H58 AromaticContact CZ-ND1 3.69Å; Y46-H58 PolarHBondContact OH-CE1 2.87Å; Y46-H58 VanDerWaalsContact OH-CE1 3.24Å; Y46-H58 PolarHBondContact OH-ND1 2.82Å
47R92.1Very high94.2Very high114 Ų11457.6 Ų57.643%0.4330%0.302SS..G310 helixtrans-59.4-31.4-173.2-166.2171.2179.7-124.70.8113.6D37 S49 A50 Y51D37-R47 IonicContact OD2-CZ 2.71Å; D37-R47 IonicContact OD2-NH2 3.02Å; D37-R47 PolarHBondContact OD2-NH2 3.17Å; R47-S49 PolarHBondContact O-N 2.57Å; R47-A50 WeakPolarHBondContact O-CB 3.35Å; R47-A50 PolarHBondContact O-N 2.94Å; R47-Y51 PolarHBondContact NE-OH 2.74Å; R47-Y51 PolarHBondContact NH2-OH 2.94Å; R47-Y51 VanDerWaalsContact NH2-OH 3.08Å
48D88.1Confident94Very high151 Ų15159.9 Ų59.981%0.80731%0.312SS*.G310 helixtrans-59.5-19.7178.7-58.5-11.4000113.9Y46Y46-D48 VanDerWaalsContact C-N 3.26Å; Y46-D48 PolarHBondContact O-N 2.9Å
49S92.4Very high93.9Very high35 Ų3562.5 Ų62.525%0.24534%0.339CS..G310 helixtrans-98.7-3.2176.968.90000113.9Y46 R47 Y51 K52Y46-S49 PolarHBondContact O-N 2.94Å; Y46-S49 VanDerWaalsContact O-N 3.15Å; Y46-S49 PolarHBondContact O-OG 2.92Å; R47-S49 PolarHBondContact O-N 2.57Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; S49-Y51 PolarHBondContact O-N 2.93Å; S49-K52 PolarHBondContact O-N 2.75Å
50A95Very high93.7Very high0 Ų065.9 Ų65.90%036%0.356CS..THydrogen-bonded Turntrans-66.7-34.3-172.700000113.2R38 Y42 R47 K52R38-A50 WeakPolarHBondContact CD-O 3.12Å; R38-A50 PolarHBondContact NE-O 3.1Å; R38-A50 VanDerWaalsContact NE-O 3.13Å; Y42-A50 HydrophobicContact CD1-CB 4.23Å; Y42-A50 HydrophobicContact CD2-CB 3.81Å; Y42-A50 HydrophobicContact CE1-CB 4.19Å; Y42-A50 HydrophobicContact CE2-CB 3.78Å; Y42-A50 HydrophobicContact CG-CB 4.05Å; R47-A50 WeakPolarHBondContact O-CB 3.35Å; R47-A50 PolarHBondContact O-N 2.94Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 2.81Å
51Y96.9Very high93.6Very high25 Ų2563 Ų6310%0.09834%0.341CS..THydrogen-bonded Turntrans-89.911.9-176.4-44.7-50.6000113.9A7 G8 E9 N11 D37 R47 S49A7-Y51 WeakPolarHBondContact CA-O 2.99Å; G8-Y51 PolarHBondContact N-O 3.09Å; E9-Y51 WeakPolarHBondContact O-CD2 3.24Å; N11-Y51 HydrophobicContact CB-CD1 4.22Å; N11-Y51 HydrophobicContact CB-CE1 3.9Å; D37-Y51 VanDerWaalsContact OD1-CE1 3.29Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.08Å; D37-Y51 PolarHBondContact OD1-OH 2.76Å; D37-Y51 PolarHBondContact OD2-OH 2.76Å; R47-Y51 PolarHBondContact NE-OH 2.74Å; R47-Y51 PolarHBondContact NH2-OH 2.94Å; R47-Y51 VanDerWaalsContact NH2-OH 3.08Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; S49-Y51 PolarHBondContact O-N 2.93Å
52K95.8Very high93.4Very high95 Ų9566.1 Ų66.141%0.41336%0.355SS..SBendtrans-87.7140.9169.3-59.1179.6-177173.80108.1A7 S49 A50 L54A7-K52 HydrophobicContact CB-CG 3.9Å; S49-K52 PolarHBondContact O-N 2.75Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 2.81Å; K52-L54 HydrophobicContact CB-CB 4.44Å; K52-L54 HydrophobicContact CB-CD1 4.19Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 PolarHBondContact O-N 2.96Å
53D96.2Very high93.4Very high3 Ų365.9 Ų65.92%0.01635%0.354CS..SBendtrans-73.464.1172.5-178.840.4000111.3G2 G3 A4 V5 P66 C67G2-D53 CarbonylContact C-O 3.5Å; G2-D53 WeakPolarHBondContact CA-O 3.47Å; G3-D53 PolarHBondContact N-O 2.92Å; G3-D53 PolarHBondContact N-OD2 2.83Å; G3-D53 VanDerWaalsContact N-OD2 3.1Å; A4-D53 WeakPolarHBondContact CB-OD2 3.4Å; A4-D53 PolarHBondContact N-OD2 2.81Å; V5-D53 HydrophobicContact CG2-CB 3.57Å; D53-P66 VanDerWaalsContact OD1-CD 3.32Å; D53-P66 WeakPolarHBondContact OD1-CD 3.03Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.46Å; D53-C67 PolarHBondContact OD1-N 2.7Å; D53-C67 PolarHBondContact OD1-SG 3.46Å; D53-C67 PolarHBondContact OD2-SG 3.48Å
54L95.1Very high93.4Very high87 Ų8763.8 Ų63.846%0.45534%0.344SS..BIsolated β-bridgetrans-137.4144.2-176.7-68.2174.3000109.6R38 K52R38-L54 PolarHBondContact NH2-O 3.23Å; K52-L54 HydrophobicContact CB-CB 4.44Å; K52-L54 HydrophobicContact CB-CD1 4.19Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 PolarHBondContact O-N 2.96Å
55A94.3Very high93.8Very high35 Ų3556.6 Ų56.629%0.28931%0.305SS..  trans-65.7145.9166.100000109.5M1 L63M1-A55 PolarHBondContact O-N 2.86Å; A55-L63 CarbonylContact C-O 3.57Å; A55-L63 VanDerWaalsContact CA-O 3.26Å; A55-L63 WeakPolarHBondContact CA-O 3.3Å
56W94.5Very high94.2Very high25 Ų2553.1 Ų53.110%0.09527%0.269CS..EExtended strand (participates in β ladder)trans-127.3140.5178.1175.482.1000110.2Y42 L43 Y46 H58 I61 H62 L63Y42-W56 AromaticContact CD1-CD2 3.77Å; Y42-W56 HydrophobicContact CD1-CD2 3.77Å; Y42-W56 AromaticContact CD1-CE2 3.84Å; Y42-W56 HydrophobicContact CD1-CE3 4.15Å; Y42-W56 HydrophobicContact CD1-CG 4.05Å; Y42-W56 HydrophobicContact CD1-CZ2 4.29Å; Y42-W56 HydrophobicContact CE1-CB 3.69Å; Y42-W56 AromaticContact CE1-CD1 3.57Å; Y42-W56 AromaticContact CE1-CD2 3.53Å; Y42-W56 HydrophobicContact CE1-CD2 3.53Å; Y42-W56 AromaticContact CE1-CE2 3.93Å; Y42-W56 HydrophobicContact CE1-CE3 4.11Å; Y42-W56 AromaticContact CE1-CG 3.31Å; Y42-W56 HydrophobicContact CE1-CG 3.31Å; Y42-W56 AromaticContact CE1-NE1 3.92Å; Y42-W56 HydrophobicContact CG-CD2 4.47Å; Y42-W56 HydrophobicContact CG-CE3 4.4Å; Y42-W56 AromaticContact CZ-CG 3.72Å; Y42-W56 WeakPolarHBondContact OH-CB 2.92Å; L43-W56 HydrophobicContact CB-CH2 3.93Å; L43-W56 HydrophobicContact CB-CZ2 4.22Å; L43-W56 HydrophobicContact CD1-CH2 3.81Å; L43-W56 HydrophobicContact CD1-CZ2 4.21Å; L43-W56 HydrophobicContact CG-CH2 3.75Å; L43-W56 HydrophobicContact CG-CZ2 4.39Å; Y46-W56 AromaticContact CD1-NE1 3.98Å; Y46-W56 HydrophobicContact CD2-CZ2 4.14Å; Y46-W56 AromaticContact CG-CZ2 3.98Å; Y46-W56 HydrophobicContact CG-CZ2 3.98Å; W56-H58 HydrophobicContact CH2-CB 3.9Å; W56-H58 HydrophobicContact CZ2-CB 3.59Å; W56-I61 HydrophobicContact CE3-CG2 4.36Å; W56-I61 HydrophobicContact CH2-CG2 4.13Å; W56-I61 HydrophobicContact CZ3-CG2 3.5Å; W56-I61 VanDerWaalsContact CZ3-CG2 3.5Å; W56-H62 WeakPolarHBondContact O-CA 3.46Å; W56-H62 PolarHBondContact O-CD2 2.79Å; W56-L63 HydrophobicContact CE3-CD1 3.72Å; W56-L63 HydrophobicContact CZ3-CD1 3.86Å; W56-L63 PolarHBondContact N-O 3.47Å; W56-L63 PolarHBondContact O-N 3.05Å
57K93.4Very high94.4Very high147 Ų14748.6 Ų48.664%0.63925%0.252SS*.EExtended strand (participates in β ladder)trans-139.9133.8-179.5-166.8178.3176.81780110.3G59 I61K57-G59 VanDerWaalsContact CE-O 3.28Å; K57-G59 WeakPolarHBondContact CE-O 3.43Å; K57-I61 WeakPolarHBondContact CA-O 3.45Å; K57-I61 WeakPolarHBondContact CG-O 3.42Å
58H93.9Very high94.6Very high82 Ų8243.4 Ų43.438%0.3823%0.233SC..EExtended strand (participates in β ladder)trans-144.9114.7169-168.897000109.7L43 Y46 W56 N60 I61L43-H58 HydrophobicContact CD1-CB 4.01Å; Y46-H58 AromaticContact CZ-CE1 3.85Å; Y46-H58 AromaticContact CZ-ND1 3.69Å; Y46-H58 PolarHBondContact OH-CE1 2.87Å; Y46-H58 VanDerWaalsContact OH-CE1 3.24Å; Y46-H58 PolarHBondContact OH-ND1 2.82Å; W56-H58 HydrophobicContact CH2-CB 3.9Å; W56-H58 HydrophobicContact CZ2-CB 3.59Å; H58-N60 PolarHBondContact O-N 2.75Å; H58-I61 PolarHBondContact N-O 3.03Å; H58-I61 WeakPolarHBondContact O-CB 3.35Å; H58-I61 PolarHBondContact O-N 3.44Å
59G93.8Very high95Very high56 Ų5636.9 Ų36.958%0.57720%0.197SC*.THydrogen-bonded Turntrans58.4-126.1-170.900000111.6K57K57-G59 VanDerWaalsContact CE-O 3.28Å; K57-G59 WeakPolarHBondContact CE-O 3.43Å
60N94.1Very high95.3Very high75 Ų7535.2 Ų35.240%0.40119%0.185SC..THydrogen-bonded Turntrans-81.5-16.9175.4-62.3-30.9000113.1H58 H114 D116 V117H58-N60 PolarHBondContact O-N 2.75Å; N60-H114 HydrophobicContact CB-CB 4.16Å; N60-D116 PolarHBondContact ND2-OD1 3.17Å; N60-D116 PolarHBondContact ND2-OD2 2.87Å; N60-V117 HydrophobicContact CB-CG2 3.52Å
61I93.8Very high95.4Very high16 Ų1636.2 Ų36.28%0.08219%0.19CC..EExtended strand (participates in β ladder)trans-75.5131-179.1-66.1173.6000109.7L43 W56 K57 H58 L63 T91 V117 Y120L43-I61 HydrophobicContact CD1-CD1 4.29Å; L43-I61 HydrophobicContact CD2-CD1 4.15Å; L43-I61 HydrophobicContact CG-CD1 4.28Å; W56-I61 HydrophobicContact CE3-CG2 4.36Å; W56-I61 HydrophobicContact CH2-CG2 4.13Å; W56-I61 HydrophobicContact CZ3-CG2 3.5Å; W56-I61 VanDerWaalsContact CZ3-CG2 3.5Å; K57-I61 WeakPolarHBondContact CA-O 3.45Å; K57-I61 WeakPolarHBondContact CG-O 3.42Å; H58-I61 PolarHBondContact N-O 3.03Å; H58-I61 WeakPolarHBondContact O-CB 3.35Å; H58-I61 PolarHBondContact O-N 3.44Å; I61-L63 HydrophobicContact CG2-CD1 4.32Å; I61-T91 HydrophobicContact CG2-CG2 3.36Å; I61-V117 HydrophobicContact CG1-CG2 4.18Å; I61-Y120 HydrophobicContact CD1-CD1 3.91Å; I61-Y120 HydrophobicContact CD1-CD2 3.97Å; I61-Y120 HydrophobicContact CD1-CE1 4.14Å; I61-Y120 HydrophobicContact CD1-CE2 4.2Å; I61-Y120 HydrophobicContact CD1-CG 3.8Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å
62H92.9Very high95.5Very high67 Ų6735 Ų3531%0.3119%0.185SC..EExtended strand (participates in β ladder)trans-140.3133.6177.8-177.3-105.5000111.2W56W56-H62 WeakPolarHBondContact O-CA 3.46Å; W56-H62 PolarHBondContact O-CD2 2.79Å
63L94.8Very high95.6Very high0 Ų030.6 Ų30.60%017%0.166CC..EExtended strand (participates in β ladder)trans-119.2125.3166.1-82.587.7000109R38 Y42 A55 W56 I61 T91 Y93R38-L63 HydrophobicContact CG-CD2 4.48Å; Y42-L63 HydrophobicContact CD2-CD2 4.2Å; Y42-L63 HydrophobicContact CE2-CD2 3.89Å; A55-L63 CarbonylContact C-O 3.57Å; A55-L63 VanDerWaalsContact CA-O 3.26Å; A55-L63 WeakPolarHBondContact CA-O 3.3Å; W56-L63 HydrophobicContact CE3-CD1 3.72Å; W56-L63 HydrophobicContact CZ3-CD1 3.86Å; W56-L63 PolarHBondContact N-O 3.47Å; W56-L63 PolarHBondContact O-N 3.05Å; I61-L63 HydrophobicContact CG2-CD1 4.32Å; L63-T91 HydrophobicContact CD1-CG2 3.31Å; L63-T91 HydrophobicContact CG-CG2 4.26Å; L63-Y93 HydrophobicContact CD2-CD1 4.5Å; L63-Y93 HydrophobicContact CD2-CG 4.4Å
64S95.1Very high95.7Very high2 Ų231.5 Ų31.51%0.01417%0.17CC..  trans-64.2159.6170.1-61.70000111.4R38 Y69R38-S64 PolarHBondContact NH1-O 3.27Å; R38-S64 PolarHBondContact NH2-O 2.86Å; S64-Y69 PolarHBondContact N-OH 3.41Å
65A95.9Very high95.9Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans-60144.1176.300000111.2C67 I68 Y69A65-C67 VanDerWaalsContact C-N 3.32Å; A65-C67 PolarHBondContact O-N 2.81Å; A65-I68 HydrophobicContact CB-CG1 4.15Å; A65-I68 WeakPolarHBondContact O-CB 3.47Å; A65-I68 PolarHBondContact O-N 3.29Å; A65-Y69 PolarHBondContact O-N 3.28Å
66P97.3Very high96.1Very high1 Ų126 Ų261%0.00614%0.137CC..Hα-helixtrans-47.1-47.9175.9-28.132.9000114.1L14 L18 D53 I68 Y69 S70L14-P66 HydrophobicContact CD1-CB 4.3Å; L14-P66 HydrophobicContact CD1-CG 4.25Å; L14-P66 HydrophobicContact CD2-CB 4.05Å; L14-P66 HydrophobicContact CD2-CG 3.67Å; L14-P66 HydrophobicContact CG-CB 4.48Å; L14-P66 HydrophobicContact CG-CG 4.48Å; L18-P66 HydrophobicContact CD1-CB 3.68Å; L18-P66 HydrophobicContact CD2-CB 4.41Å; D53-P66 VanDerWaalsContact OD1-CD 3.32Å; D53-P66 WeakPolarHBondContact OD1-CD 3.03Å; P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.39Å; P66-Y69 PolarHBondContact O-N 2.89Å; P66-Y69 VanDerWaalsContact O-N 3.11Å; P66-S70 PolarHBondContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 3Å; P66-S70 VanDerWaalsContact O-OG 3.04Å
67C96.6Very high96.2Very high5 Ų531 Ų313%0.03416%0.159CC..Hα-helixtrans-58.1-35.8179.359.90000113.6A4 L18 Y23 D53 A65 S70 E71A4-C67 HydrophobicContact CB-CB 4.13Å; L18-C67 HydrophobicContact CD2-CB 3.96Å; Y23-C67 HydrophobicContact CD1-CB 3.68Å; Y23-C67 HydrophobicContact CE1-CB 3.77Å; Y23-C67 HydrophobicContact CG-CB 4.15Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.46Å; D53-C67 PolarHBondContact OD1-N 2.7Å; D53-C67 PolarHBondContact OD1-SG 3.46Å; D53-C67 PolarHBondContact OD2-SG 3.48Å; A65-C67 VanDerWaalsContact C-N 3.32Å; A65-C67 PolarHBondContact O-N 2.81Å; C67-S70 PolarHBondContact O-N 3.22Å; C67-E71 PolarHBondContact O-N 3.25Å; C67-E71 VanDerWaalsContact O-N 3.13Å
68I96.5Very high96.5Very high4 Ų424.4 Ų24.42%0.02113%0.132CC..Hα-helixtrans-68.4-45.8177.3-58.3-59000110.2M1 A65 P66 S70 E71 V72 L212 V214 F216M1-I68 HydrophobicContact CB-CG1 4.25Å; M1-I68 HydrophobicContact CE-CG1 4.45Å; M1-I68 HydrophobicContact SD-CD1 4.01Å; M1-I68 HydrophobicContact SD-CG1 4.13Å; A65-I68 HydrophobicContact CB-CG1 4.15Å; A65-I68 WeakPolarHBondContact O-CB 3.47Å; A65-I68 PolarHBondContact O-N 3.29Å; P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.39Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.04Å; I68-E71 PolarHBondContact O-N 3.21Å; I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 VanDerWaalsContact O-CG2 3.26Å; I68-V72 WeakPolarHBondContact O-CG2 3.33Å; I68-V72 PolarHBondContact O-N 2.95Å; I68-L212 HydrophobicContact CD1-CD1 3.73Å; I68-V214 HydrophobicContact CD1-CG1 3.91Å; I68-F216 HydrophobicContact CG2-CE2 4.33Å; I68-F216 HydrophobicContact CG2-CZ 3.77Å
69Y97.8Very high96.7Very high14 Ų1424.7 Ų24.76%0.05513%0.133CC..Hα-helixtrans-63.2-36.5176-72.2-29.2000112.1S64 A65 P66 V72 M73 Y93 L94 Y164S64-Y69 PolarHBondContact N-OH 3.41Å; A65-Y69 PolarHBondContact O-N 3.28Å; P66-Y69 PolarHBondContact O-N 2.89Å; P66-Y69 VanDerWaalsContact O-N 3.11Å; Y69-V72 PolarHBondContact O-N 3.23Å; Y69-M73 WeakPolarHBondContact O-CB 3.37Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 2.87Å; Y69-Y93 AromaticContact CD2-CD1 3.77Å; Y69-Y93 HydrophobicContact CD2-CD1 3.77Å; Y69-Y93 AromaticContact CD2-CE1 3.83Å; Y69-Y93 HydrophobicContact CD2-CE1 3.83Å; Y69-Y93 AromaticContact CE2-CD1 3.6Å; Y69-Y93 HydrophobicContact CE2-CD1 3.6Å; Y69-Y93 HydrophobicContact CE2-CE1 4.11Å; Y69-L94 HydrophobicContact CD1-CB 4.42Å; Y69-L94 HydrophobicContact CD1-CD1 3.39Å; Y69-L94 HydrophobicContact CE1-CB 4.23Å; Y69-L94 HydrophobicContact CE1-CD1 3.8Å; Y69-L94 HydrophobicContact CG-CD1 4.04Å; Y69-Y164 HydrophobicContact CE1-CE1 4.46Å
70S97.8Very high96.9Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-60.4-49.4175.9-55.10000111.4Y23 I24 P66 C67 I68 V72 M73 E74Y23-S70 WeakPolarHBondContact O-CB 3.42Å; I24-S70 WeakPolarHBondContact CG1-OG 3.41Å; P66-S70 PolarHBondContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 3Å; P66-S70 VanDerWaalsContact O-OG 3.04Å; C67-S70 PolarHBondContact O-N 3.22Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.04Å; S70-V72 PolarHBondContact O-N 2.74Å; S70-M73 PolarHBondContact O-N 3.15Å; S70-E74 WeakPolarHBondContact O-CB 3.47Å; S70-E74 VanDerWaalsContact O-CG 3.28Å; S70-E74 WeakPolarHBondContact O-CG 3.27Å; S70-E74 PolarHBondContact O-N 3.36Å
71E97.7Very high97Very high21 Ų2124.5 Ų24.510%0.09813%0.133CC..Hα-helixtrans-63.9-39.6178.1-75.7-67.1161.100112.8Y23 R25 C67 I68 E74 A75 I211 L212Y23-E71 HydrophobicContact CD1-CG 3.79Å; Y23-E71 HydrophobicContact CE1-CG 4.18Å; R25-E71 IonicContact CZ-OE1 3.91Å; R25-E71 IonicContact CZ-OE2 3.42Å; R25-E71 IonicContact NH1-OE1 3.62Å; R25-E71 PolarHBondContact NH1-OE1 3.29Å; R25-E71 IonicContact NH1-OE2 2.75Å; R25-E71 IonicContact NH2-OE1 3.6Å; R25-E71 PolarHBondContact NH2-OE1 2.75Å; R25-E71 IonicContact NH2-OE2 3.87Å; R25-E71 PolarHBondContact NH2-OE2 3.45Å; C67-E71 PolarHBondContact O-N 3.25Å; C67-E71 VanDerWaalsContact O-N 3.13Å; I68-E71 PolarHBondContact O-N 3.21Å; E71-E74 PolarHBondContact O-N 2.98Å; E71-A75 WeakPolarHBondContact O-CB 3.32Å; E71-A75 PolarHBondContact O-N 2.97Å; E71-I211 HydrophobicContact CB-CG2 4.3Å; E71-I211 HydrophobicContact CG-CG2 4.49Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.31Å; E71-L212 HydrophobicContact CB-CD2 3.87Å; E71-L212 HydrophobicContact CG-CD2 3.86Å
72V98.3Very high97.2Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-60.7-49174.1169.90000110.7I68 Y69 S70 E74 A75 L76 L94 Y164 V188 L195I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 VanDerWaalsContact O-CG2 3.26Å; I68-V72 WeakPolarHBondContact O-CG2 3.33Å; I68-V72 PolarHBondContact O-N 2.95Å; Y69-V72 PolarHBondContact O-N 3.23Å; S70-V72 PolarHBondContact O-N 2.74Å; V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 2.96Å; V72-A75 PolarHBondContact O-N 2.81Å; V72-L76 HydrophobicContact CG1-CD1 3.66Å; V72-L76 HydrophobicContact CG1-CG 4.26Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 WeakPolarHBondContact O-CD1 3.37Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 2.73Å; V72-L94 HydrophobicContact CG1-CD1 4.02Å; V72-Y164 HydrophobicContact CB-CD2 4.37Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.26Å; V72-Y164 HydrophobicContact CG1-CD2 3.42Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y164 HydrophobicContact CG1-CE2 3.75Å; V72-Y164 HydrophobicContact CG1-CG 3.71Å; V72-Y164 HydrophobicContact CG2-CD2 3.94Å; V72-Y164 HydrophobicContact CG2-CE2 3.45Å; V72-Y164 VanDerWaalsContact CG2-CE2 3.45Å; V72-V188 HydrophobicContact CG1-CG1 4.44Å; V72-V188 HydrophobicContact CG2-CG1 4.1Å; V72-L195 HydrophobicContact CG2-CD1 4.37Å; V72-L195 HydrophobicContact CG2-CD2 3.91Å
73M98.4Very high97.4Very high2 Ų222.2 Ų22.21%0.0112%0.124CC..Hα-helixtrans-63.3-40.3-178.4-70.8-71.9-75.200112V29 F33 Y69 S70 L78 L94 M97 V98 I101V29-M73 HydrophobicContact CG1-CB 3.94Å; V29-M73 HydrophobicContact CG2-CB 4.08Å; F33-M73 HydrophobicContact CE2-CB 4.37Å; F33-M73 HydrophobicContact CE2-CG 4.02Å; Y69-M73 WeakPolarHBondContact O-CB 3.37Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 2.87Å; S70-M73 PolarHBondContact O-N 3.15Å; M73-L78 HydrophobicContact CE-CD1 3.83Å; M73-L78 HydrophobicContact SD-CD1 3.71Å; M73-L94 HydrophobicContact SD-CD1 4.47Å; M73-L94 HydrophobicContact SD-CG 4.28Å; M73-M97 HydrophobicContact CE-CB 3.93Å; M73-V98 HydrophobicContact CE-CG2 4.21Å; M73-V98 HydrophobicContact SD-CG2 3.62Å; M73-I101 HydrophobicContact CE-CD1 3.37Å; M73-I101 HydrophobicContact CE-CG1 4.46Å
74E98.3Very high97.6Very high22 Ų2222.2 Ų22.210%0.10312%0.124CC..Hα-helixtrans-65.6-46.2174.4-71.8-67.1165.500112R25 T26 S70 E71 V72 L76 K77R25-E74 WeakPolarHBondContact CA-OE1 3.36Å; R25-E74 PolarHBondContact N-OE1 2.95Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.48Å; T26-E74 PolarHBondContact N-OE1 3.34Å; T26-E74 PolarHBondContact OG1-OE1 2.65Å; T26-E74 PolarHBondContact OG1-OE2 3.17Å; S70-E74 WeakPolarHBondContact O-CB 3.47Å; S70-E74 VanDerWaalsContact O-CG 3.28Å; S70-E74 WeakPolarHBondContact O-CG 3.27Å; S70-E74 PolarHBondContact O-N 3.36Å; E71-E74 PolarHBondContact O-N 2.98Å; V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 2.96Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.45Å; E74-K77 PolarHBondContact O-N 2.8Å
75A98.3Very high97.8Very high7 Ų722.1 Ų22.16%0.05812%0.123CC..Hα-helixtrans-66.5-34.1-178.900000112.9E71 V72 K77 V188 Q197 I211E71-A75 WeakPolarHBondContact O-CB 3.32Å; E71-A75 PolarHBondContact O-N 2.97Å; V72-A75 PolarHBondContact O-N 2.81Å; A75-K77 PolarHBondContact O-N 3.3Å; A75-V188 HydrophobicContact CB-CG2 3.88Å; A75-Q197 PolarHBondContact O-NE2 3.48Å; A75-I211 HydrophobicContact CB-CD1 3.51Å
76L98.5Very high97.9Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-67.9-18.9178-72.4167.4000112.7V72 E74 L78 F84 R162 I163 V188V72-L76 HydrophobicContact CG1-CD1 3.66Å; V72-L76 HydrophobicContact CG1-CG 4.26Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 WeakPolarHBondContact O-CD1 3.37Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 2.73Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.45Å; L76-L78 VanDerWaalsContact C-N 3.25Å; L76-L78 HydrophobicContact CB-CD1 4.37Å; L76-L78 HydrophobicContact CB-CD2 4.21Å; L76-L78 HydrophobicContact CB-CG 3.88Å; L76-L78 HydrophobicContact CD1-CD1 4.5Å; L76-L78 PolarHBondContact O-N 2.75Å; L76-F84 HydrophobicContact CD1-CE2 3.84Å; L76-F84 HydrophobicContact CD2-CE2 4.48Å; L76-R162 HydrophobicContact CD2-CB 4.21Å; L76-R162 WeakPolarHBondContact O-CD 3.45Å; L76-R162 PolarHBondContact O-NE 3.19Å; L76-I163 WeakPolarHBondContact CD2-O 3.33Å; L76-V188 HydrophobicContact CD2-CB 4.2Å; L76-V188 HydrophobicContact CD2-CG2 3.72Å; L76-V188 HydrophobicContact CG-CG2 3.95Å
77K98.1Very high97.9Very high129 Ų12922.2 Ų22.256%0.56112%0.123SC*.THydrogen-bonded Turntrans46.550.8178.7-58.4-178.4-177.1176.70112.3E74 A75 R162 I186E74-K77 PolarHBondContact O-N 2.8Å; A75-K77 PolarHBondContact O-N 3.3Å; K77-R162 PolarHBondContact O-NH2 3.31Å; K77-I186 HydrophobicContact CB-CD1 4.05Å; K77-I186 HydrophobicContact CD-CD1 3.99Å; K77-I186 HydrophobicContact CG-CD1 4.22Å
78L98.5Very high97.9Very high10 Ų1023.2 Ų23.25%0.05213%0.134CC..  trans-63.8142.8-176.1-66.2160.8000110.9M73 L76 F84 V98 I101 I102 R162M73-L78 HydrophobicContact CE-CD1 3.83Å; M73-L78 HydrophobicContact SD-CD1 3.71Å; L76-L78 VanDerWaalsContact C-N 3.25Å; L76-L78 HydrophobicContact CB-CD1 4.37Å; L76-L78 HydrophobicContact CB-CD2 4.21Å; L76-L78 HydrophobicContact CB-CG 3.88Å; L76-L78 HydrophobicContact CD1-CD1 4.5Å; L76-L78 PolarHBondContact O-N 2.75Å; L78-F84 HydrophobicContact CD2-CD2 4.43Å; L78-V98 HydrophobicContact CD1-CB 4.37Å; L78-V98 HydrophobicContact CD1-CG1 4.18Å; L78-V98 HydrophobicContact CD1-CG2 3.77Å; L78-V98 HydrophobicContact CD2-CG1 3.94Å; L78-I101 HydrophobicContact CB-CB 4.32Å; L78-I101 HydrophobicContact CB-CG2 3.62Å; L78-I101 HydrophobicContact CD1-CD1 4.18Å; L78-I102 HydrophobicContact CB-CG2 4.41Å; L78-I102 HydrophobicContact CD2-CG2 4.03Å; L78-R162 HydrophobicContact CD2-CB 4.22Å; L78-R162 HydrophobicContact CD2-CG 4.05Å
79Q97.8Very high97.9Very high87 Ų8723.3 Ų23.341%0.40714%0.135SC..  trans-141.6157.3178-63.1-59-30.800110.4G81 L82Q79-G81 PolarHBondContact O-N 2.95Å; Q79-L82 HydrophobicContact CB-CD1 3.96Å; Q79-L82 HydrophobicContact CB-CG 4.1Å; Q79-L82 WeakPolarHBondContact O-CG 3.37Å; Q79-L82 PolarHBondContact O-N 2.81Å
80P97.8Very high97.8Very high88 Ų8823 Ų2357%0.57114%0.136SC*.THydrogen-bonded Turntrans-53.1136.6173.5-28.136.4000112.8L82 I102P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.83Å; P80-I102 CarbonylContact C-O 3.44Å; P80-I102 VanDerWaalsContact CA-O 3.24Å; P80-I102 WeakPolarHBondContact CA-O 3.47Å
81G96.6Very high97.7Very high39 Ų3923 Ų2340%0.40214%0.137SC..THydrogen-bonded Turntrans83.1-3.6177.300000115.9Q79 I102Q79-G81 PolarHBondContact O-N 2.95Å; G81-I102 PolarHBondContact N-O 3.07Å
82L98Very high97.7Very high28 Ų2822 Ų2215%0.14713%0.132CC..  trans-71.3152.7177.1-65-173.8000112.2Q79 P80 I102 G106 V107 D161 R162Q79-L82 HydrophobicContact CB-CD1 3.96Å; Q79-L82 HydrophobicContact CB-CG 4.1Å; Q79-L82 WeakPolarHBondContact O-CG 3.37Å; Q79-L82 PolarHBondContact O-N 2.81Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.83Å; L82-I102 HydrophobicContact CB-CG2 4.44Å; L82-G106 VanDerWaalsContact O-CA 3.24Å; L82-G106 WeakPolarHBondContact O-CA 2.99Å; L82-V107 PolarHBondContact O-N 3.04Å; L82-V107 VanDerWaalsContact O-N 3.15Å; L82-D161 HydrophobicContact CB-CB 4.13Å; L82-D161 HydrophobicContact CD2-CB 3.91Å; L82-D161 HydrophobicContact CG-CB 4.42Å; L82-R162 HydrophobicContact CD1-CG 3.93Å
83S98.3Very high97.7Very high8 Ų822.2 Ų22.26%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-91.6132167.158.60000111.6V107 Y160 D161 R162 K182S83-V107 CarbonylContact C-O 3.54Å; S83-V107 WeakPolarHBondContact CA-O 3.34Å; S83-Y160 WeakPolarHBondContact OG-CA 3.32Å; S83-D161 WeakPolarHBondContact CB-OD2 3.28Å; S83-D161 PolarHBondContact N-OD2 3.41Å; S83-D161 WeakPolarHBondContact O-CB 3.33Å; S83-D161 PolarHBondContact O-N 3.4Å; S83-D161 VanDerWaalsContact O-N 3.1Å; S83-D161 PolarHBondContact OG-N 3.2Å; S83-D161 PolarHBondContact OG-OD2 3.31Å; S83-R162 PolarHBondContact O-N 2.85Å; S83-K182 PolarHBondContact OG-NZ 2.84Å
84F98.7Very high97.8Very high0 Ų022.2 Ų22.20%013%0.133CC..EExtended strand (participates in β ladder)trans-126.5135.8-177.8176.3-111.7000112L76 L78 N86 L94 V98 I102 V107 N108 H109 Y160 R162L76-F84 HydrophobicContact CD1-CE2 3.84Å; L76-F84 HydrophobicContact CD2-CE2 4.48Å; L78-F84 HydrophobicContact CD2-CD2 4.43Å; F84-N86 HydrophobicContact CE1-CB 3.65Å; F84-N86 HydrophobicContact CZ-CB 3.88Å; F84-L94 HydrophobicContact CE1-CD2 3.97Å; F84-L94 HydrophobicContact CZ-CD2 3.57Å; F84-V98 HydrophobicContact CB-CG1 3.95Å; F84-V98 HydrophobicContact CD1-CB 4.02Å; F84-V98 HydrophobicContact CD1-CG1 3.48Å; F84-V98 VanDerWaalsContact CD1-CG1 3.48Å; F84-V98 HydrophobicContact CD1-CG2 4.12Å; F84-V98 HydrophobicContact CD2-CG1 4.35Å; F84-V98 HydrophobicContact CE1-CB 4.05Å; F84-V98 HydrophobicContact CE1-CG1 3.98Å; F84-V98 HydrophobicContact CE1-CG2 3.74Å; F84-V98 HydrophobicContact CE2-CG2 4.46Å; F84-V98 HydrophobicContact CG-CG1 3.67Å; F84-V98 HydrophobicContact CZ-CG2 3.95Å; F84-I102 HydrophobicContact CB-CD1 4.43Å; F84-V107 PolarHBondContact N-O 3.4Å; F84-N108 WeakPolarHBondContact CD1-OD1 3.49Å; F84-H109 PolarHBondContact O-N 3.23Å; F84-Y160 VanDerWaalsContact C-CD1 3.47Å; F84-R162 CarbonylContact C-O 3.58Å; F84-R162 VanDerWaalsContact CA-O 3.27Å; F84-R162 WeakPolarHBondContact CA-O 3.37Å; F84-R162 HydrophobicContact CD2-CB 3.81Å
85L98.4Very high97.8Very high0 Ų021.2 Ų21.20%013%0.128CC..EExtended strand (participates in β ladder)trans-121.8124.9172.6179.963.9000110.4L87 H109 V111 I153 Y160 R162 I163 Y164 L180 L235L85-L87 HydrophobicContact CD1-CD2 4.27Å; L85-L87 HydrophobicContact CD2-CD2 3.77Å; L85-L87 HydrophobicContact CD2-CG 4.36Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.26Å; L85-H109 CarbonylContact C-O 3.41Å; L85-H109 WeakPolarHBondContact CA-O 3.46Å; L85-H109 HydrophobicContact CD1-CB 3.98Å; L85-V111 HydrophobicContact CD1-CG2 4.23Å; L85-I153 HydrophobicContact CD2-CD1 4.28Å; L85-Y160 HydrophobicContact CB-CD1 3.72Å; L85-Y160 HydrophobicContact CB-CD2 3.76Å; L85-Y160 HydrophobicContact CB-CE1 3.94Å; L85-Y160 HydrophobicContact CB-CE2 3.98Å; L85-Y160 HydrophobicContact CB-CG 3.63Å; L85-Y160 HydrophobicContact CD1-CE2 4.34Å; L85-Y160 HydrophobicContact CD2-CD2 3.8Å; L85-Y160 HydrophobicContact CD2-CE2 3.79Å; L85-Y160 HydrophobicContact CG-CD2 4.35Å; L85-Y160 HydrophobicContact CG-CE2 4.27Å; L85-R162 PolarHBondContact N-O 2.93Å; L85-I163 HydrophobicContact CB-CG1 4.22Å; L85-I163 HydrophobicContact CB-CG2 4.4Å; L85-I163 VanDerWaalsContact O-CA 3.32Å; L85-I163 WeakPolarHBondContact O-CA 3.33Å; L85-Y164 PolarHBondContact O-N 2.91Å; L85-L180 HydrophobicContact CD2-CD1 4.08Å; L85-L235 HydrophobicContact CD1-CD1 4.09Å; L85-L235 HydrophobicContact CD1-CD2 4.43Å
86N98.4Very high97.8Very high2 Ų220.9 Ų20.91%0.01113%0.125CC..EExtended strand (participates in β ladder)trans-107111.4175.2-166.8-0.3000110.3F84 S95 H109 G110 V111 Y164F84-N86 HydrophobicContact CE1-CB 3.65Å; F84-N86 HydrophobicContact CZ-CB 3.88Å; N86-S95 WeakPolarHBondContact CB-OG 3.33Å; N86-S95 PolarHBondContact ND2-OG 3.1Å; N86-H109 PolarHBondContact N-O 3.32Å; N86-G110 CarbonylContact O-C 3.59Å; N86-G110 WeakPolarHBondContact O-CA 3.17Å; N86-V111 PolarHBondContact O-N 3.24Å; N86-Y164 VanDerWaalsContact OD1-CD1 3.32Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.43Å
87L97.1Very high97.8Very high1 Ų120.9 Ų20.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-94.4113.4179.1-57.5175.9000109.3L85 C150 I153 I163 Y164 C165 G166 M177L85-L87 HydrophobicContact CD1-CD2 4.27Å; L85-L87 HydrophobicContact CD2-CD2 3.77Å; L85-L87 HydrophobicContact CD2-CG 4.36Å; L85-L87 HydrophobicContact CG-CD2 3.83Å; L85-L87 HydrophobicContact CG-CG 4.26Å; L87-C150 VanDerWaalsContact CA-SG 3.6Å; L87-C150 HydrophobicContact CB-CB 4.11Å; L87-C150 HydrophobicContact CD2-CB 3.97Å; L87-C150 HydrophobicContact CG-CB 4.48Å; L87-I153 HydrophobicContact CD2-CD1 3.51Å; L87-I163 HydrophobicContact CD1-CG2 3.95Å; L87-I163 HydrophobicContact CG-CG2 4.23Å; L87-Y164 PolarHBondContact N-O 2.91Å; L87-C165 HydrophobicContact CB-CB 4.11Å; L87-C165 HydrophobicContact CD1-CB 4.29Å; L87-C165 WeakPolarHBondContact O-CA 3.31Å; L87-G166 PolarHBondContact O-N 3.48Å; L87-M177 HydrophobicContact CD1-CE 4.04Å; L87-M177 HydrophobicContact CD1-SD 3.41Å; L87-M177 WeakPolarHBondContact CD1-SD 3.33Å
88G96Very high97.8Very high26 Ų2614.7 Ų14.727%0.26810%0.099SC..SBendtrans78.958.3-165.400000110.5G90 V111 C150G88-G90 PolarHBondContact O-N 2.86Å; G88-G90 VanDerWaalsContact O-N 3.13Å; G88-V111 WeakPolarHBondContact CA-O 3.39Å; G88-V111 PolarHBondContact N-O 3.42Å; G88-C150 PolarHBondContact N-SG 3.46Å; G88-C150 VanDerWaalsContact N-SG 3.44Å
89S96.3Very high97.8Very high5 Ų514.2 Ų14.24%0.03510%0.096CC..  trans-65.1-16.2-172.759.20000114.4T91 G92 V111 E112 F145S89-T91 PolarHBondContact O-N 2.82Å; S89-G92 PolarHBondContact O-N 2.97Å; S89-V111 PolarHBondContact N-O 2.94Å; S89-E112 WeakPolarHBondContact OG-CB 3.29Å; S89-F145 WeakPolarHBondContact OG-CD1 3.44Å
90G95.8Very high97.9Very high8 Ų810.7 Ų10.78%0.0828%0.08CC..THydrogen-bonded Turntrans55.5-133.9176.500000111.3G88 G92 E112 V117G88-G90 PolarHBondContact O-N 2.86Å; G88-G90 VanDerWaalsContact O-N 3.13Å; G90-G92 PolarHBondContact O-N 3.34Å; G90-E112 PolarHBondContact N-OE2 2.94Å; G90-V117 VanDerWaalsContact C-CG1 3.5Å; G90-V117 WeakPolarHBondContact O-CG1 3.46Å
91T96.9Very high97.9Very high1 Ų17.2 Ų7.21%0.0066%0.056CC..THydrogen-bonded Turntrans-70.80.1-179.562.10000115.1Y41 I61 L63 S89 Y93 Y120 A121Y41-T91 WeakPolarHBondContact CD1-O 3.16Å; I61-T91 HydrophobicContact CG2-CG2 3.36Å; L63-T91 HydrophobicContact CD1-CG2 3.31Å; L63-T91 HydrophobicContact CG-CG2 4.26Å; S89-T91 PolarHBondContact O-N 2.82Å; T91-Y93 PolarHBondContact O-N 2.82Å; T91-Y120 HydrophobicContact CG2-CD1 3.75Å; T91-Y120 HydrophobicContact CG2-CE1 3.48Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.48Å; T91-A121 WeakPolarHBondContact O-CA 3.36Å
92G97.9Very high98Very high0 Ų05.3 Ų5.30%04%0.037CC..SBendtrans78.7-5.2-175.500000114.5S89 G90 L94 S95 T96S89-G92 PolarHBondContact O-N 2.97Å; G90-G92 PolarHBondContact O-N 3.34Å; G92-L94 PolarHBondContact O-N 2.89Å; G92-S95 CarbonylContact O-C 3.34Å; G92-S95 WeakPolarHBondContact O-CA 3.25Å; G92-S95 WeakPolarHBondContact O-CB 3.45Å; G92-S95 PolarHBondContact O-N 2.96Å; G92-T96 PolarHBondContact O-N 3.13Å; G92-T96 PolarHBondContact O-OG1 3.48Å; G92-T96 VanDerWaalsContact O-OG1 3.07Å
93Y98.6Very high97.9Very high3 Ų34.2 Ų4.21%0.0123%0.032CC..Hα-helixtrans-49.8-52.8-177.7177.9-111.4000113.5I36 R38 Y41 L63 Y69 T91 T96 M97I36-Y93 HydrophobicContact CB-CE2 4.27Å; I36-Y93 HydrophobicContact CG2-CD2 3.81Å; I36-Y93 HydrophobicContact CG2-CE2 3.61Å; R38-Y93 HydrophobicContact CB-CE2 4.1Å; Y41-Y93 HydrophobicContact CD1-CD2 4.16Å; Y41-Y93 HydrophobicContact CD1-CG 4.38Å; Y41-Y93 AromaticContact CD2-CD2 3.54Å; Y41-Y93 HydrophobicContact CD2-CD2 3.54Å; Y41-Y93 HydrophobicContact CD2-CE2 4.27Å; Y41-Y93 HydrophobicContact CD2-CG 4.47Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.45Å; Y41-Y93 HydrophobicContact CE1-CD2 4.48Å; Y41-Y93 AromaticContact CE2-CD2 3.94Å; Y41-Y93 HydrophobicContact CE2-CD2 3.94Å; Y41-Y93 AromaticContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CG 4.18Å; L63-Y93 HydrophobicContact CD2-CD1 4.5Å; L63-Y93 HydrophobicContact CD2-CG 4.4Å; Y69-Y93 AromaticContact CD2-CD1 3.77Å; Y69-Y93 HydrophobicContact CD2-CD1 3.77Å; Y69-Y93 AromaticContact CD2-CE1 3.83Å; Y69-Y93 HydrophobicContact CD2-CE1 3.83Å; Y69-Y93 AromaticContact CE2-CD1 3.6Å; Y69-Y93 HydrophobicContact CE2-CD1 3.6Å; Y69-Y93 HydrophobicContact CE2-CE1 4.11Å; T91-Y93 PolarHBondContact O-N 2.82Å; Y93-T96 PolarHBondContact O-N 3.03Å; Y93-M97 HydrophobicContact CD1-CE 3.56Å; Y93-M97 HydrophobicContact CE1-CE 3.21Å; Y93-M97 HydrophobicContact CE1-SD 3.86Å; Y93-M97 HydrophobicContact CE2-CE 4.49Å; Y93-M97 HydrophobicContact CE2-SD 4.37Å; Y93-M97 HydrophobicContact CG-CE 4.33Å; Y93-M97 PolarHBondContact O-N 2.96Å; Y93-M97 VanDerWaalsContact O-N 3.11Å
94L98.6Very high97.7Very high3 Ų34.1 Ų4.12%0.0163%0.031CC..Hα-helixtrans-65.8-41.2177.7-177.1142000111.6Y69 V72 M73 F84 G92 T96 M97 V98 Y164Y69-L94 HydrophobicContact CD1-CB 4.42Å; Y69-L94 HydrophobicContact CD1-CD1 3.39Å; Y69-L94 HydrophobicContact CE1-CB 4.23Å; Y69-L94 HydrophobicContact CE1-CD1 3.8Å; Y69-L94 HydrophobicContact CG-CD1 4.04Å; V72-L94 HydrophobicContact CG1-CD1 4.02Å; M73-L94 HydrophobicContact SD-CD1 4.47Å; M73-L94 HydrophobicContact SD-CG 4.28Å; F84-L94 HydrophobicContact CE1-CD2 3.97Å; F84-L94 HydrophobicContact CZ-CD2 3.57Å; G92-L94 PolarHBondContact O-N 2.89Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 2.83Å; L94-M97 HydrophobicContact CB-CE 4.35Å; L94-M97 PolarHBondContact O-N 3.28Å; L94-V98 HydrophobicContact CD2-CG2 3.84Å; L94-V98 HydrophobicContact CG-CG2 4.37Å; L94-V98 VanDerWaalsContact O-CG2 3.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.01Å; L94-Y164 HydrophobicContact CD1-CD1 4.15Å; L94-Y164 HydrophobicContact CD1-CE1 4.07Å; L94-Y164 HydrophobicContact CD2-CD1 3.95Å
95S98.7Very high97.6Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-61.9-37.7177.4-71.30000112.2N86 G92 V98 G99 N108N86-S95 WeakPolarHBondContact CB-OG 3.33Å; N86-S95 PolarHBondContact ND2-OG 3.1Å; G92-S95 CarbonylContact O-C 3.34Å; G92-S95 WeakPolarHBondContact O-CA 3.25Å; G92-S95 WeakPolarHBondContact O-CB 3.45Å; G92-S95 PolarHBondContact O-N 2.96Å; S95-V98 PolarHBondContact O-N 3.3Å; S95-G99 PolarHBondContact O-N 3.08Å; S95-N108 PolarHBondContact O-ND2 3.27Å
96T98.6Very high97.5Very high0 Ų010.4 Ų10.40%06%0.06CC..Hα-helixtrans-67-44.5174.7-48.10000110.9I36 Y41 G92 Y93 L94 V98 G99 L100 L125 F128 F140I36-T96 VanDerWaalsContact CD1-C 3.42Å; I36-T96 HydrophobicContact CD1-CG2 3.41Å; I36-T96 VanDerWaalsContact CD1-CG2 3.41Å; Y41-T96 VanDerWaalsContact OH-CB 3.24Å; Y41-T96 WeakPolarHBondContact OH-CB 3.38Å; Y41-T96 VanDerWaalsContact OH-CG2 3.28Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.44Å; Y41-T96 PolarHBondContact OH-OG1 2.8Å; G92-T96 PolarHBondContact O-N 3.13Å; G92-T96 PolarHBondContact O-OG1 3.48Å; G92-T96 VanDerWaalsContact O-OG1 3.07Å; Y93-T96 PolarHBondContact O-N 3.03Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 2.83Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 3.23Å; T96-G99 WeakPolarHBondContact O-CA 3.24Å; T96-G99 PolarHBondContact O-N 2.88Å; T96-L100 PolarHBondContact O-N 3.18Å; T96-L125 HydrophobicContact CG2-CD1 4.32Å; T96-F128 HydrophobicContact CG2-CD1 3.65Å; T96-F128 HydrophobicContact CG2-CE1 3.83Å; T96-F128 HydrophobicContact CG2-CG 4.09Å; T96-F128 HydrophobicContact CG2-CZ 4.42Å; T96-F140 HydrophobicContact CG2-CE2 3.81Å; T96-F140 HydrophobicContact CG2-CZ 3.79Å; T96-F140 WeakPolarHBondContact O-CE2 3.42Å
97M98.7Very high97.4Very high0 Ų011.5 Ų11.50%07%0.066CC..Hα-helixtrans-59.7-44.3175.3-73.9-173.1-65.300111.9A32 F33 I36 M73 Y93 L94 G99 L100 I101A32-M97 HydrophobicContact CB-CB 4.35Å; F33-M97 HydrophobicContact CD1-SD 3.97Å; F33-M97 HydrophobicContact CD2-SD 3.78Å; F33-M97 HydrophobicContact CE1-CE 4.35Å; F33-M97 HydrophobicContact CE1-SD 4.1Å; F33-M97 HydrophobicContact CE2-CE 4.3Å; F33-M97 HydrophobicContact CE2-SD 3.92Å; F33-M97 HydrophobicContact CG-SD 3.83Å; F33-M97 HydrophobicContact CZ-CE 4.1Å; F33-M97 HydrophobicContact CZ-SD 4.07Å; I36-M97 HydrophobicContact CB-CG 4.2Å; I36-M97 HydrophobicContact CD1-CB 4.2Å; I36-M97 HydrophobicContact CD1-CG 3.68Å; I36-M97 VanDerWaalsContact CD1-N 3.3Å; I36-M97 HydrophobicContact CG1-CG 4.32Å; M73-M97 HydrophobicContact CE-CB 3.93Å; Y93-M97 HydrophobicContact CD1-CE 3.56Å; Y93-M97 HydrophobicContact CE1-CE 3.21Å; Y93-M97 HydrophobicContact CE1-SD 3.86Å; Y93-M97 HydrophobicContact CE2-CE 4.49Å; Y93-M97 HydrophobicContact CE2-SD 4.37Å; Y93-M97 HydrophobicContact CG-CE 4.33Å; Y93-M97 PolarHBondContact O-N 2.96Å; Y93-M97 VanDerWaalsContact O-N 3.11Å; L94-M97 HydrophobicContact CB-CE 4.35Å; L94-M97 PolarHBondContact O-N 3.28Å; M97-G99 PolarHBondContact O-N 3.38Å; M97-L100 PolarHBondContact O-N 3.41Å; M97-I101 PolarHBondContact O-N 3.41Å
98V98.8Very high97.5Very high0 Ų011.6 Ų11.60%07%0.067CC..Hα-helixtrans-58.9-40.5174.81730000110.8M73 L78 F84 L94 S95 T96 L100 I101 I102M73-V98 HydrophobicContact CE-CG2 4.21Å; M73-V98 HydrophobicContact SD-CG2 3.62Å; L78-V98 HydrophobicContact CD1-CB 4.37Å; L78-V98 HydrophobicContact CD1-CG1 4.18Å; L78-V98 HydrophobicContact CD1-CG2 3.77Å; L78-V98 HydrophobicContact CD2-CG1 3.94Å; F84-V98 HydrophobicContact CB-CG1 3.95Å; F84-V98 HydrophobicContact CD1-CB 4.02Å; F84-V98 HydrophobicContact CD1-CG1 3.48Å; F84-V98 VanDerWaalsContact CD1-CG1 3.48Å; F84-V98 HydrophobicContact CD1-CG2 4.12Å; F84-V98 HydrophobicContact CD2-CG1 4.35Å; F84-V98 HydrophobicContact CE1-CB 4.05Å; F84-V98 HydrophobicContact CE1-CG1 3.98Å; F84-V98 HydrophobicContact CE1-CG2 3.74Å; F84-V98 HydrophobicContact CE2-CG2 4.46Å; F84-V98 HydrophobicContact CG-CG1 3.67Å; F84-V98 HydrophobicContact CZ-CG2 3.95Å; L94-V98 HydrophobicContact CD2-CG2 3.84Å; L94-V98 HydrophobicContact CG-CG2 4.37Å; L94-V98 VanDerWaalsContact O-CG2 3.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.01Å; S95-V98 PolarHBondContact O-N 3.3Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 3.23Å; V98-L100 VanDerWaalsContact C-N 3.25Å; V98-L100 PolarHBondContact O-N 3.11Å; V98-I101 PolarHBondContact O-N 2.99Å; V98-I102 HydrophobicContact CG1-CD1 4.15Å; V98-I102 HydrophobicContact CG1-CG1 4.47Å; V98-I102 HydrophobicContact CG1-CG2 3.92Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 3.4Å
99G98.5Very high97.6Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-56.3-36.4177.300000113.8S95 T96 M97 I101 G103 C141S95-G99 PolarHBondContact O-N 3.08Å; T96-G99 WeakPolarHBondContact O-CA 3.24Å; T96-G99 PolarHBondContact O-N 2.88Å; M97-G99 PolarHBondContact O-N 3.38Å; G99-I101 VanDerWaalsContact C-N 3.32Å; G99-G103 PolarHBondContact O-N 2.92Å; G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.44Å; G99-C141 PolarHBondContact O-N 3.38Å
100L98.3Very high97.7Very high13 Ų1310.7 Ų10.77%0.0686%0.055CC..Hα-helixtrans-70.4-27.4175.9-58.6178.1000113A35 I36 T96 M97 V98 F128 F138 F140A35-L100 HydrophobicContact CB-CD1 3.53Å; I36-L100 HydrophobicContact CD1-CD1 3.57Å; I36-L100 HydrophobicContact CD1-CG 4.16Å; I36-L100 HydrophobicContact CG1-CD1 3.6Å; T96-L100 PolarHBondContact O-N 3.18Å; M97-L100 PolarHBondContact O-N 3.41Å; V98-L100 VanDerWaalsContact C-N 3.25Å; V98-L100 PolarHBondContact O-N 3.11Å; L100-F128 HydrophobicContact CD1-CZ 4.48Å; L100-F128 HydrophobicContact CD2-CE1 4.25Å; L100-F128 HydrophobicContact CD2-CZ 3.88Å; L100-F138 HydrophobicContact CB-CB 4.48Å; L100-F138 HydrophobicContact CB-CD1 4.11Å; L100-F138 HydrophobicContact CB-CG 4.34Å; L100-F138 HydrophobicContact CD1-CD2 4.47Å; L100-F138 HydrophobicContact CD1-CG 4.43Å; L100-F138 HydrophobicContact CD2-CB 3.54Å; L100-F138 HydrophobicContact CD2-CD2 4.32Å; L100-F138 HydrophobicContact CD2-CG 3.89Å; L100-F138 HydrophobicContact CG-CG 4.45Å; L100-F140 HydrophobicContact CD2-CD2 3.52Å; L100-F140 HydrophobicContact CD2-CE2 4.1Å; L100-F140 HydrophobicContact CD2-CG 4.36Å; L100-F140 HydrophobicContact CG-CD2 4.17Å; L100-F140 HydrophobicContact CG-CE2 4.44Å
101I98.4Very high97.7Very high14 Ų1410.3 Ų10.37%0.0725%0.051CC..Hα-helixtrans-88-42.9-177.7-58.5-179.5000111.7V29 A32 M73 L78 M97 V98 G99 G103V29-I101 HydrophobicContact CG2-CD1 4.44Å; A32-I101 HydrophobicContact CB-CD1 3.91Å; A32-I101 HydrophobicContact CB-CG1 3.88Å; M73-I101 HydrophobicContact CE-CD1 3.37Å; M73-I101 HydrophobicContact CE-CG1 4.46Å; L78-I101 HydrophobicContact CB-CB 4.32Å; L78-I101 HydrophobicContact CB-CG2 3.62Å; L78-I101 HydrophobicContact CD1-CD1 4.18Å; M97-I101 PolarHBondContact O-N 3.41Å; V98-I101 PolarHBondContact O-N 2.99Å; G99-I101 VanDerWaalsContact C-N 3.32Å; I101-G103 VanDerWaalsContact C-N 3.34Å
102I98.4Very high97.8Very high0 Ų011.1 Ų11.10%06%0.055CC..Hα-helixtrans-81-16.6-176.671.9177000112.7L78 P80 G81 L82 F84 V98 V107 N108 C141L78-I102 HydrophobicContact CB-CG2 4.41Å; L78-I102 HydrophobicContact CD2-CG2 4.03Å; P80-I102 CarbonylContact C-O 3.44Å; P80-I102 VanDerWaalsContact CA-O 3.24Å; P80-I102 WeakPolarHBondContact CA-O 3.47Å; G81-I102 PolarHBondContact N-O 3.07Å; L82-I102 HydrophobicContact CB-CG2 4.44Å; F84-I102 HydrophobicContact CB-CD1 4.43Å; V98-I102 HydrophobicContact CG1-CD1 4.15Å; V98-I102 HydrophobicContact CG1-CG1 4.47Å; V98-I102 HydrophobicContact CG1-CG2 3.92Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 3.4Å; I102-V107 WeakPolarHBondContact CD1-O 3.41Å; I102-N108 HydrophobicContact CD1-CB 4Å; I102-C141 HydrophobicContact CD1-CB 3.82Å; I102-C141 HydrophobicContact CG1-CB 3.56Å
103G96.6Very high97.6Very high5 Ų513.7 Ų13.75%0.0527%0.068CC..  trans63.8177.9172.800000114.5G99 I101 Y105 G106 C141G99-G103 PolarHBondContact O-N 2.92Å; I101-G103 VanDerWaalsContact C-N 3.34Å; G103-Y105 PolarHBondContact O-N 3.3Å; G103-G106 PolarHBondContact O-N 3.39Å; G103-C141 WeakPolarHBondContact O-CB 3.48Å
104P95Very high97.5Very high5 Ų516.6 Ų16.63%0.0328%0.082CC..THydrogen-bonded Turntrans-64-18-164.625.3-36.9000114.5E139 R241 I249P104-E139 HydrophobicContact CG-CB 4.37Å; P104-E139 HydrophobicContact CG-CG 4.42Å; P104-R241 PolarHBondContact O-NE 3.18Å; P104-R241 PolarHBondContact O-NH2 2.91Å; P104-I249 HydrophobicContact CB-CD1 3.64Å; P104-I249 HydrophobicContact CB-CG1 4.17Å; P104-I249 HydrophobicContact CB-CG2 4.29Å; P104-I249 HydrophobicContact CG-CD1 4.31Å; P104-I249 HydrophobicContact CG-CG2 3.75Å
105Y94.9Very high97.4Very high122 Ų12222.9 Ų22.948%0.47811%0.109SC..THydrogen-bonded Turntrans-92-1.5179-53.6-70.7000113.4G103 L246G103-Y105 PolarHBondContact O-N 3.3Å; Y105-L246 HydrophobicContact CE1-CD2 3.75Å
106G96.5Very high97.4Very high11 Ų1126.6 Ų26.611%0.11313%0.129CC..SBendtrans-78.3178.8173.300000113.1L82 G103 C141L82-G106 VanDerWaalsContact O-CA 3.24Å; L82-G106 WeakPolarHBondContact O-CA 2.99Å; G103-G106 PolarHBondContact O-N 3.39Å; G106-C141 VanDerWaalsContact C-SG 3.56Å; G106-C141 PolarHBondContact O-SG 3.49Å; G106-C141 VanDerWaalsContact O-SG 3.36Å
107V97.6Very high97.3Very high25 Ų2526.6 Ų26.615%0.15213%0.129CC..EExtended strand (participates in β ladder)trans-124.5133.7169.9177.10000107.4L82 S83 F84 I102 H109 Y160 V238L82-V107 PolarHBondContact O-N 3.04Å; L82-V107 VanDerWaalsContact O-N 3.15Å; S83-V107 CarbonylContact C-O 3.54Å; S83-V107 WeakPolarHBondContact CA-O 3.34Å; F84-V107 PolarHBondContact N-O 3.4Å; I102-V107 WeakPolarHBondContact CD1-O 3.41Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.49Å; V107-Y160 HydrophobicContact CG1-CE1 4.25Å; V107-V238 HydrophobicContact CG1-CG2 4.06Å; V107-V238 HydrophobicContact CG2-CG1 3.7Å; V107-V238 HydrophobicContact CG2-CG2 4.01Å
108N98.3Very high97.3Very high3 Ų326.6 Ų26.62%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-137.298.1-175.1-170.3-6.1000109.9F84 S95 I102 C141 P143 A144F84-N108 WeakPolarHBondContact CD1-OD1 3.49Å; S95-N108 PolarHBondContact O-ND2 3.27Å; I102-N108 HydrophobicContact CD1-CB 4Å; N108-C141 HydrophobicContact CB-CB 4.4Å; N108-C141 PolarHBondContact ND2-O 2.96Å; N108-P143 HydrophobicContact CB-CB 4.37Å; N108-P143 CarbonylContact O-C 3.43Å; N108-P143 WeakPolarHBondContact O-CA 3.45Å; N108-A144 PolarHBondContact O-N 2.87Å
109H98.3Very high97.3Very high11 Ų1131.3 Ų31.35%0.05115%0.151CC..EExtended strand (participates in β ladder)trans-111141.6179.3-64.7171.1000110.7F84 L85 N86 V107 A144 Y160 P236F84-H109 PolarHBondContact O-N 3.23Å; L85-H109 CarbonylContact C-O 3.41Å; L85-H109 WeakPolarHBondContact CA-O 3.46Å; L85-H109 HydrophobicContact CD1-CB 3.98Å; N86-H109 PolarHBondContact N-O 3.32Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.49Å; H109-A144 WeakPolarHBondContact CA-O 3.46Å; H109-Y160 HydrophobicContact CB-CE1 4.49Å; H109-Y160 AromaticContact ND1-CZ 3.82Å; H109-Y160 PolarHBondContact ND1-OH 3Å; H109-P236 PolarHBondContact CE1-O 3.32Å
110G97.8Very high97.3Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-123.7134.7172.100000110.8N86 A144 F145 V146N86-G110 CarbonylContact O-C 3.59Å; N86-G110 WeakPolarHBondContact O-CA 3.17Å; G110-A144 PolarHBondContact N-O 2.92Å; G110-F145 CarbonylContact O-C 3.6Å; G110-F145 WeakPolarHBondContact O-CA 3.26Å; G110-V146 PolarHBondContact O-N 3.41Å
111V97.4Very high97.3Very high0 Ų031.7 Ų31.70%015%0.151CC..EExtended strand (participates in β ladder)trans-113.3129.6171.6-178.40000107.9L85 N86 G88 S89 V146 G148 I153 V233 L235L85-V111 HydrophobicContact CD1-CG2 4.23Å; N86-V111 PolarHBondContact O-N 3.24Å; G88-V111 WeakPolarHBondContact CA-O 3.39Å; G88-V111 PolarHBondContact N-O 3.42Å; S89-V111 PolarHBondContact N-O 2.94Å; V111-V146 WeakPolarHBondContact CA-O 3.49Å; V111-G148 WeakPolarHBondContact CG1-O 3.39Å; V111-I153 HydrophobicContact CG2-CD1 4.06Å; V111-I153 HydrophobicContact CG2-CG1 4.49Å; V111-V233 HydrophobicContact CG1-CG1 4.34Å; V111-L235 HydrophobicContact CG2-CD2 3.52Å
112E97.2Very high97.3Very high19 Ų1936.6 Ų36.69%0.08917%0.169CC..EExtended strand (participates in β ladder)trans-138.8138.5178.5170.256.6-116.400109.6S89 G90 H114 V117 V118 V146 V147 G148S89-E112 WeakPolarHBondContact OG-CB 3.29Å; G90-E112 PolarHBondContact N-OE2 2.94Å; E112-H114 IonicContact OE1-CD2 3.8Å; E112-H114 PolarHBondContact OE1-N 2.88Å; E112-V117 HydrophobicContact CG-CB 3.82Å; E112-V117 HydrophobicContact CG-CG1 3.77Å; E112-V118 HydrophobicContact CB-CG2 3.57Å; E112-V118 HydrophobicContact CG-CG2 3.86Å; E112-V146 PolarHBondContact N-O 3.3Å; E112-V147 CarbonylContact O-C 3.58Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.03Å; E112-G148 CarbonylContact C-O 3.56Å; E112-G148 PolarHBondContact O-N 3.31Å
113L95.4Very high97.3Very high53 Ų5341.5 Ų41.528%0.27719%0.192SC..SBendtrans-70.9-39-173.5-17964.4000111.3G148 N149 V220L113-G148 WeakPolarHBondContact CA-O 3.46Å; L113-G148 PolarHBondContact N-O 2.93Å; L113-N149 HydrophobicContact CD1-CB 4.31Å; L113-V220 HydrophobicContact CD2-CB 3.86Å; L113-V220 HydrophobicContact CD2-CG1 4.17Å; L113-V220 HydrophobicContact CD2-CG2 4.03Å
114H95.9Very high97.3Very high65 Ų6542.1 Ų42.130%0.30119%0.193SC..  trans-94.3119.8-170.2-67.5-73.3000111.6N60 E112 D116 V117 V118N60-H114 HydrophobicContact CB-CB 4.16Å; E112-H114 IonicContact OE1-CD2 3.8Å; E112-H114 PolarHBondContact OE1-N 2.88Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 WeakPolarHBondContact CB-OD1 3.32Å; H114-D116 PolarHBondContact O-N 3.04Å; H114-V117 HydrophobicContact CB-CB 3.99Å; H114-V117 HydrophobicContact CB-CG2 3.58Å; H114-V117 WeakPolarHBondContact O-CB 3.4Å; H114-V117 PolarHBondContact O-N 3.18Å; H114-V117 VanDerWaalsContact O-N 3.11Å; H114-V118 PolarHBondContact O-N 3.06Å; H114-V118 VanDerWaalsContact O-N 3.08Å
115K96.5Very high97.5Very high134 Ų13442.3 Ų42.358%0.58319%0.194SC*.Hα-helixtrans-60.3-42-177.8-176.4179.6178.6-1650112.7V117 V118 E119 V147K115-V117 VanDerWaalsContact C-N 3.27Å; K115-V117 PolarHBondContact O-N 3.25Å; K115-V118 PolarHBondContact O-N 2.96Å; K115-E119 WeakPolarHBondContact CE-OE1 3.34Å; K115-E119 IonicContact NZ-OE1 2.62Å; K115-E119 WeakPolarHBondContact O-CG 3.34Å; K115-E119 PolarHBondContact O-N 2.89Å; K115-V147 HydrophobicContact CB-CG1 4.16Å; K115-V147 HydrophobicContact CB-CG2 4.26Å; K115-V147 HydrophobicContact CG-CG2 4.16Å
116D97.4Very high97.6Very high78 Ų7840 Ų4042%0.41719%0.19SC..Hα-helixtrans-59-37.8175.254.3-47.3000111.9N60 H114 E119 Y120N60-D116 PolarHBondContact ND2-OD1 3.17Å; N60-D116 PolarHBondContact ND2-OD2 2.87Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 WeakPolarHBondContact CB-OD1 3.32Å; H114-D116 PolarHBondContact O-N 3.04Å; D116-E119 PolarHBondContact O-N 3.26Å; D116-Y120 WeakPolarHBondContact O-CB 3.49Å; D116-Y120 PolarHBondContact O-N 3.34Å
117V97.8Very high97.5Very high1 Ų142.3 Ų42.31%0.00620%0.198CC..Hα-helixtrans-71.6-38.1177.7-177.30000111.3N60 I61 G90 E112 H114 K115 Y120 A121N60-V117 HydrophobicContact CB-CG2 3.52Å; I61-V117 HydrophobicContact CG1-CG2 4.18Å; G90-V117 VanDerWaalsContact C-CG1 3.5Å; G90-V117 WeakPolarHBondContact O-CG1 3.46Å; E112-V117 HydrophobicContact CG-CB 3.82Å; E112-V117 HydrophobicContact CG-CG1 3.77Å; H114-V117 HydrophobicContact CB-CB 3.99Å; H114-V117 HydrophobicContact CB-CG2 3.58Å; H114-V117 WeakPolarHBondContact O-CB 3.4Å; H114-V117 PolarHBondContact O-N 3.18Å; H114-V117 VanDerWaalsContact O-N 3.11Å; K115-V117 VanDerWaalsContact C-N 3.27Å; K115-V117 PolarHBondContact O-N 3.25Å; V117-Y120 WeakPolarHBondContact O-CB 3.31Å; V117-Y120 PolarHBondContact O-N 3.28Å; V117-A121 WeakPolarHBondContact O-CB 3.09Å; V117-A121 PolarHBondContact O-N 3.36Å
118V98.3Very high97.5Very high0 Ų041.6 Ų41.60%019%0.193CC..Hα-helixtrans-64.3-42.8173.5171.50000111.7E112 H114 K115 Y120 A121 R122 F145 V147E112-V118 HydrophobicContact CB-CG2 3.57Å; E112-V118 HydrophobicContact CG-CG2 3.86Å; H114-V118 PolarHBondContact O-N 3.06Å; H114-V118 VanDerWaalsContact O-N 3.08Å; K115-V118 PolarHBondContact O-N 2.96Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-A121 PolarHBondContact O-N 3.42Å; V118-R122 WeakPolarHBondContact O-CG 3.49Å; V118-R122 PolarHBondContact O-N 3.5Å; V118-F145 HydrophobicContact CG1-CB 3.89Å; V118-V147 HydrophobicContact CB-CG2 3.86Å; V118-V147 HydrophobicContact CG1-CG2 3.96Å; V118-V147 HydrophobicContact CG2-CG2 3.77Å
119E98.3Very high97.3Very high99 Ų9942.3 Ų42.346%0.46320%0.196SC..Hα-helixtrans-60.6-45175.6-73.5172.1-178.100110.8K115 D116 A121 R122 Q123K115-E119 WeakPolarHBondContact CE-OE1 3.34Å; K115-E119 IonicContact NZ-OE1 2.62Å; K115-E119 WeakPolarHBondContact O-CG 3.34Å; K115-E119 PolarHBondContact O-N 2.89Å; D116-E119 PolarHBondContact O-N 3.26Å; E119-A121 PolarHBondContact O-N 3.4Å; E119-R122 PolarHBondContact O-N 3.5Å; E119-Q123 PolarHBondContact O-N 2.89Å
120Y98.3Very high97Very high20 Ų2046.6 Ų46.68%0.07822%0.215CC..Hα-helixtrans-59.8-44.6174-175.9-98.6000112.6Y41 Y42 L43 I61 T91 D116 V117 V118 R122 Q123 K124Y41-Y120 PolarHBondContact O-OH 2.9Å; Y42-Y120 PolarHBondContact O-OH 3.44Å; L43-Y120 HydrophobicContact CD2-CD2 4.35Å; L43-Y120 HydrophobicContact CD2-CE2 3.65Å; L43-Y120 HydrophobicContact CG-CE2 4.48Å; L43-Y120 PolarHBondContact N-OH 3.44Å; I61-Y120 HydrophobicContact CD1-CD1 3.91Å; I61-Y120 HydrophobicContact CD1-CD2 3.97Å; I61-Y120 HydrophobicContact CD1-CE1 4.14Å; I61-Y120 HydrophobicContact CD1-CE2 4.2Å; I61-Y120 HydrophobicContact CD1-CG 3.8Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å; T91-Y120 HydrophobicContact CG2-CD1 3.75Å; T91-Y120 HydrophobicContact CG2-CE1 3.48Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.48Å; D116-Y120 WeakPolarHBondContact O-CB 3.49Å; D116-Y120 PolarHBondContact O-N 3.34Å; V117-Y120 WeakPolarHBondContact O-CB 3.31Å; V117-Y120 PolarHBondContact O-N 3.28Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; Y120-R122 VanDerWaalsContact C-N 3.34Å; Y120-R122 PolarHBondContact O-N 3.07Å; Y120-Q123 WeakPolarHBondContact O-CB 3.27Å; Y120-Q123 PolarHBondContact O-N 3.4Å; Y120-K124 HydrophobicContact CD1-CG 4.16Å; Y120-K124 HydrophobicContact CE1-CG 3.73Å; Y120-K124 HydrophobicContact CE2-CD 4.48Å; Y120-K124 HydrophobicContact CE2-CG 4.34Å; Y120-K124 WeakPolarHBondContact O-CG 3.5Å; Y120-K124 PolarHBondContact O-N 3.37Å; Y120-K124 WeakPolarHBondContact OH-CE 3.32Å
121A98.4Very high96.7Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-61.8-40.4177.800000112.6T91 V117 V118 E119 K124 L125 F145T91-A121 WeakPolarHBondContact O-CA 3.36Å; V117-A121 WeakPolarHBondContact O-CB 3.09Å; V117-A121 PolarHBondContact O-N 3.36Å; V118-A121 PolarHBondContact O-N 3.42Å; E119-A121 PolarHBondContact O-N 3.4Å; A121-K124 PolarHBondContact O-N 2.99Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 3.01Å; A121-F145 HydrophobicContact CB-CD2 4.04Å; A121-F145 HydrophobicContact CB-CE1 4.45Å; A121-F145 HydrophobicContact CB-CE2 3.92Å; A121-F145 HydrophobicContact CB-CG 4.34Å; A121-F145 HydrophobicContact CB-CZ 4.15Å
122R98.5Very high96.4Very high118 Ų11852.7 Ų52.745%0.44525%0.249SC..Hα-helixtrans-65.7-40.2175-71.2179.3-173.81340.7111.8V118 E119 Y120 L125 D126 F145V118-R122 WeakPolarHBondContact O-CG 3.49Å; V118-R122 PolarHBondContact O-N 3.5Å; E119-R122 PolarHBondContact O-N 3.5Å; Y120-R122 VanDerWaalsContact C-N 3.34Å; Y120-R122 PolarHBondContact O-N 3.07Å; R122-L125 PolarHBondContact O-N 3.23Å; R122-D126 WeakPolarHBondContact O-CB 3.5Å; R122-D126 PolarHBondContact O-N 2.84Å; R122-F145 HydrophobicContact CG-CD2 4.05Å; R122-F145 PolarHBondContact NH2-O 3.01Å
123Q98.1Very high96Very high103 Ų10355 Ų5548%0.48126%0.262SS..Hα-helixtrans-60.9-49.8175-178-173.5-17.400111E119 Y120 L125 D126 E127E119-Q123 PolarHBondContact O-N 2.89Å; Y120-Q123 WeakPolarHBondContact O-CB 3.27Å; Y120-Q123 PolarHBondContact O-N 3.4Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 3.3Å; Q123-D126 PolarHBondContact O-N 3.07Å; Q123-D126 VanDerWaalsContact O-N 3.17Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 3.36Å; Q123-E127 WeakPolarHBondContact O-CG 3.42Å; Q123-E127 PolarHBondContact O-N 2.99Å
124K97.9Very high95.8Very high17 Ų1753.5 Ų53.57%0.07426%0.256CS..Hα-helixtrans-62.6-35.5178.8-66.8-49.2-171.6173.20113.2D40 Y41 Y120 A121 E127 F128D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.21Å; D40-K124 WeakPolarHBondContact O-CE 3.35Å; D40-K124 PolarHBondContact O-NZ 2.82Å; Y41-K124 HydrophobicContact CD1-CB 3.83Å; Y41-K124 HydrophobicContact CD1-CG 4.21Å; Y41-K124 HydrophobicContact CE1-CB 3.73Å; Y120-K124 HydrophobicContact CD1-CG 4.16Å; Y120-K124 HydrophobicContact CE1-CG 3.73Å; Y120-K124 HydrophobicContact CE2-CD 4.48Å; Y120-K124 HydrophobicContact CE2-CG 4.34Å; Y120-K124 WeakPolarHBondContact O-CG 3.5Å; Y120-K124 PolarHBondContact O-N 3.37Å; Y120-K124 WeakPolarHBondContact OH-CE 3.32Å; A121-K124 PolarHBondContact O-N 2.99Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 IonicContact NZ-OE2 3.3Å; K124-E127 PolarHBondContact NZ-OE2 3.42Å; K124-F128 WeakPolarHBondContact O-CB 3.41Å; K124-F128 PolarHBondContact O-N 3.47Å
125L98Very high95.7Very high9 Ų950.6 Ų50.65%0.04724%0.242CC..Hα-helixtrans-64.3-45.9172.7177.663.9000112.4T96 A121 R122 Q123 F128 I129 F140 E142 P143 F145T96-L125 HydrophobicContact CG2-CD1 4.32Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 3.01Å; R122-L125 PolarHBondContact O-N 3.23Å; Q123-L125 VanDerWaalsContact C-N 3.29Å; Q123-L125 PolarHBondContact O-N 3.3Å; L125-F128 WeakPolarHBondContact O-CB 3.46Å; L125-F128 PolarHBondContact O-N 3.3Å; L125-I129 HydrophobicContact CD1-CD1 4.06Å; L125-I129 HydrophobicContact CD1-CG1 4.38Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.24Å; L125-F140 HydrophobicContact CD1-CE1 3.87Å; L125-F140 HydrophobicContact CD1-CZ 3.64Å; L125-E142 HydrophobicContact CD2-CG 3.8Å; L125-E142 HydrophobicContact CG-CG 4.5Å; L125-P143 HydrophobicContact CD1-CG 3.91Å; L125-P143 HydrophobicContact CD2-CG 3.83Å; L125-P143 HydrophobicContact CG-CG 4.45Å; L125-F145 HydrophobicContact CD2-CE2 4.16Å
126D96.9Very high95.4Very high74 Ų7444.5 Ų44.540%0.39622%0.216SC..Hα-helixtrans-64-42178.2-176.863.3000111.5R122 Q123 F128 I129 K130R122-D126 WeakPolarHBondContact O-CB 3.5Å; R122-D126 PolarHBondContact O-N 2.84Å; Q123-D126 PolarHBondContact O-N 3.07Å; Q123-D126 VanDerWaalsContact O-N 3.17Å; D126-F128 VanDerWaalsContact C-N 3.35Å; D126-F128 PolarHBondContact O-N 3.07Å; D126-I129 PolarHBondContact O-N 3.26Å; D126-K130 VanDerWaalsContact CG-NZ 3.26Å; D126-K130 WeakPolarHBondContact O-CB 3.46Å; D126-K130 WeakPolarHBondContact O-CG 3.24Å; D126-K130 PolarHBondContact O-N 2.94Å; D126-K130 WeakPolarHBondContact OD1-CE 3.36Å; D126-K130 IonicContact OD1-NZ 3.59Å; D126-K130 PolarHBondContact OD1-NZ 3.17Å; D126-K130 VanDerWaalsContact OD1-NZ 3.07Å; D126-K130 WeakPolarHBondContact OD2-CE 3.29Å; D126-K130 IonicContact OD2-NZ 2.65Å; D126-K130 PolarHBondContact OD2-NZ 2.98Å
127E95.9Very high95.1Very high60 Ų6046.2 Ų46.228%0.2822%0.22SC..Hα-helixtrans-57.5-45.8171.7-74.5171.1-167.500111.3Q123 K124 K130 N131Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 3.36Å; Q123-E127 WeakPolarHBondContact O-CG 3.42Å; Q123-E127 PolarHBondContact O-N 2.99Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 IonicContact NZ-OE2 3.3Å; K124-E127 PolarHBondContact NZ-OE2 3.42Å; E127-K130 PolarHBondContact O-N 3.22Å; E127-N131 WeakPolarHBondContact O-CA 3.42Å; E127-N131 WeakPolarHBondContact O-CB 3.19Å; E127-N131 PolarHBondContact O-N 2.97Å
128F96.3Very high95Very high10 Ų1048.3 Ų48.34%0.04423%0.229CC..Hα-helixtrans-60.4-49.9176.2171.2-105.6000112I36 T96 L100 K124 L125 D126 K130 S132 F135 F140I36-F128 HydrophobicContact CG1-CE2 3.97Å; I36-F128 HydrophobicContact CG1-CZ 4.35Å; T96-F128 HydrophobicContact CG2-CD1 3.65Å; T96-F128 HydrophobicContact CG2-CE1 3.83Å; T96-F128 HydrophobicContact CG2-CG 4.09Å; T96-F128 HydrophobicContact CG2-CZ 4.42Å; L100-F128 HydrophobicContact CD1-CZ 4.48Å; L100-F128 HydrophobicContact CD2-CE1 4.25Å; L100-F128 HydrophobicContact CD2-CZ 3.88Å; K124-F128 WeakPolarHBondContact O-CB 3.41Å; K124-F128 PolarHBondContact O-N 3.47Å; L125-F128 WeakPolarHBondContact O-CB 3.46Å; L125-F128 PolarHBondContact O-N 3.3Å; D126-F128 VanDerWaalsContact C-N 3.35Å; D126-F128 PolarHBondContact O-N 3.07Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.07Å; F128-S132 VanDerWaalsContact CD2-CB 3.45Å; F128-S132 WeakPolarHBondContact O-CB 3.49Å; F128-S132 PolarHBondContact O-N 3.41Å; F128-F135 HydrophobicContact CD1-CD2 4.4Å; F128-F135 HydrophobicContact CE1-CB 4.48Å; F128-F135 AromaticContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CZ-CB 4.36Å; F128-F135 HydrophobicContact CZ-CD2 4.48Å; F128-F140 HydrophobicContact CD1-CZ 4.27Å; F128-F140 HydrophobicContact CE1-CD2 4.35Å; F128-F140 HydrophobicContact CE1-CE1 4.39Å; F128-F140 HydrophobicContact CE1-CE2 4.03Å; F128-F140 HydrophobicContact CE1-CZ 4.05Å
129I94.9Very high94.7Very high18 Ų1850.9 Ų50.99%0.09224%0.241CC..Hα-helixtrans-62.1-43-178.6-67.8168.5000110.8L125 D126 F135 F140 E142 R359L125-I129 HydrophobicContact CD1-CD1 4.06Å; L125-I129 HydrophobicContact CD1-CG1 4.38Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 3.24Å; D126-I129 PolarHBondContact O-N 3.26Å; I129-F135 HydrophobicContact CB-CD2 4.47Å; I129-F135 HydrophobicContact CB-CE2 4.33Å; I129-F135 HydrophobicContact CG1-CD2 4.17Å; I129-F135 HydrophobicContact CG1-CE2 3.87Å; I129-F135 HydrophobicContact CG2-CE1 4.32Å; I129-F135 HydrophobicContact CG2-CE2 4.11Å; I129-F135 HydrophobicContact CG2-CZ 3.97Å; I129-F140 HydrophobicContact CD1-CE1 4.27Å; I129-F140 HydrophobicContact CG1-CE1 4.24Å; I129-E142 HydrophobicContact CD1-CG 4.23Å; I129-R359 WeakPolarHBondContact O-CD 3.34Å; I129-R359 PolarHBondContact O-NE 2.67Å
130K92.4Very high94.6Very high101 Ų10147 Ų4744%0.43922%0.223SC..Hα-helixtrans-75.2-47-177.7-71.9173.5176.7165.80112.1D126 E127 F128 R359D126-K130 VanDerWaalsContact CG-NZ 3.26Å; D126-K130 WeakPolarHBondContact O-CB 3.46Å; D126-K130 WeakPolarHBondContact O-CG 3.24Å; D126-K130 PolarHBondContact O-N 2.94Å; D126-K130 WeakPolarHBondContact OD1-CE 3.36Å; D126-K130 IonicContact OD1-NZ 3.59Å; D126-K130 PolarHBondContact OD1-NZ 3.17Å; D126-K130 VanDerWaalsContact OD1-NZ 3.07Å; D126-K130 WeakPolarHBondContact OD2-CE 3.29Å; D126-K130 IonicContact OD2-NZ 2.65Å; D126-K130 PolarHBondContact OD2-NZ 2.98Å; E127-K130 PolarHBondContact O-N 3.22Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.07Å; K130-R359 PolarHBondContact O-NE 3.26Å; K130-R359 PolarHBondContact O-NH2 3.17Å
131N91.1Very high94.6Very high107 Ų10746.3 Ų46.357%0.57222%0.22SC*.Hα-helixtrans-108.3-16.6-161.2-55.3-31.1000113.9E127 K361E127-N131 WeakPolarHBondContact O-CA 3.42Å; E127-N131 WeakPolarHBondContact O-CB 3.19Å; E127-N131 PolarHBondContact O-N 2.97Å; N131-K361 WeakPolarHBondContact O-CE 3.42Å; N131-K361 PolarHBondContact O-NZ 3.1Å
132S91.9Very high94.5Very high20 Ų2051.6 Ų51.614%0.1425%0.245CC..  trans-82.7131.1-178.8-172.90000112.4F128 S134 F135 R359F128-S132 VanDerWaalsContact CD2-CB 3.45Å; F128-S132 WeakPolarHBondContact O-CB 3.49Å; F128-S132 PolarHBondContact O-N 3.41Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 WeakPolarHBondContact OG-CB 3.18Å; S132-S134 PolarHBondContact OG-N 3.42Å; S132-F135 WeakPolarHBondContact O-CB 3.47Å; S132-F135 PolarHBondContact O-N 3.48Å; S132-R359 PolarHBondContact O-NH2 3.4Å
133D87.9Confident94.5Very high67 Ų6746.2 Ų46.236%0.35823%0.226SC..SBendtrans-71.3-25.2170.2-70.5-47.4000112.4F135 D136 K361D133-F135 PolarHBondContact O-N 3.37Å; D133-D136 PolarHBondContact O-N 2.94Å; D133-K361 IonicContact OD1-NZ 2.82Å; D133-K361 PolarHBondContact OD1-NZ 2.83Å; D133-K361 IonicContact OD2-NZ 3.57Å; D133-K361 PolarHBondContact OD2-NZ 3.42Å
134S91.6Very high94.4Very high22 Ų2243 Ų4315%0.15422%0.217CC..Hα-helixtrans-60-32.4174.1-58.60000111.6A35 S132 D136 K137 F138A35-S134 WeakPolarHBondContact O-CB 3.47Å; A35-S134 PolarHBondContact O-OG 3.3Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 WeakPolarHBondContact OG-CB 3.18Å; S132-S134 PolarHBondContact OG-N 3.42Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 VanDerWaalsContact O-N 3.11Å; S134-K137 WeakPolarHBondContact O-CA 3.44Å; S134-K137 WeakPolarHBondContact O-CB 3.24Å; S134-K137 PolarHBondContact O-N 2.97Å; S134-F138 VanDerWaalsContact O-CD2 3.29Å; S134-F138 WeakPolarHBondContact O-CD2 3.24Å; S134-F138 PolarHBondContact O-N 3.19Å
135F92.5Very high94.4Very high5 Ų542.7 Ų42.72%0.02222%0.215CC..Hα-helixtrans-54.2-36.5179.1-177.9-99.4000113.3F128 I129 S132 D133 K137 F140 Y357F128-F135 HydrophobicContact CD1-CD2 4.4Å; F128-F135 HydrophobicContact CE1-CB 4.48Å; F128-F135 AromaticContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CZ-CB 4.36Å; F128-F135 HydrophobicContact CZ-CD2 4.48Å; I129-F135 HydrophobicContact CB-CD2 4.47Å; I129-F135 HydrophobicContact CB-CE2 4.33Å; I129-F135 HydrophobicContact CG1-CD2 4.17Å; I129-F135 HydrophobicContact CG1-CE2 3.87Å; I129-F135 HydrophobicContact CG2-CE1 4.32Å; I129-F135 HydrophobicContact CG2-CE2 4.11Å; I129-F135 HydrophobicContact CG2-CZ 3.97Å; S132-F135 WeakPolarHBondContact O-CB 3.47Å; S132-F135 PolarHBondContact O-N 3.48Å; D133-F135 PolarHBondContact O-N 3.37Å; F135-K137 VanDerWaalsContact C-N 3.34Å; F135-F140 HydrophobicContact CD2-CD1 4.32Å; F135-F140 HydrophobicContact CE2-CB 4.21Å; F135-F140 AromaticContact CE2-CD1 3.7Å; F135-F140 HydrophobicContact CE2-CD1 3.7Å; F135-F140 HydrophobicContact CE2-CE1 4.41Å; F135-F140 HydrophobicContact CE2-CG 4.2Å; F135-Y357 HydrophobicContact CE1-CD1 4.13Å; F135-Y357 AromaticContact CE1-CD2 3.61Å; F135-Y357 HydrophobicContact CE1-CD2 3.61Å; F135-Y357 HydrophobicContact CE1-CE1 4.34Å; F135-Y357 AromaticContact CE1-CE2 3.84Å; F135-Y357 HydrophobicContact CE1-CE2 3.84Å; F135-Y357 AromaticContact CE1-CG 3.77Å; F135-Y357 HydrophobicContact CE1-CG 3.77Å; F135-Y357 AromaticContact CZ-CD1 3.87Å; F135-Y357 HydrophobicContact CZ-CD1 3.87Å; F135-Y357 HydrophobicContact CZ-CD2 4.05Å; F135-Y357 AromaticContact CZ-CE1 3.79Å; F135-Y357 HydrophobicContact CZ-CE1 3.79Å; F135-Y357 AromaticContact CZ-CE2 3.97Å; F135-Y357 HydrophobicContact CZ-CE2 3.97Å; F135-Y357 HydrophobicContact CZ-CG 4Å; F135-Y357 AromaticContact CZ-CZ 3.84Å
136D91.5Very high94.4Very high5 Ų543.5 Ų43.53%0.02722%0.221CC..Hα-helixtrans-76.5-22177.9-72.5-45.5000113.4D133 S134 R252 R256 N336 L338 R359D133-D136 PolarHBondContact O-N 2.94Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 VanDerWaalsContact O-N 3.11Å; D136-R252 IonicContact OD1-CZ 3.07Å; D136-R252 IonicContact OD1-NH1 3.63Å; D136-R252 PolarHBondContact OD1-NH1 3.16Å; D136-R252 VanDerWaalsContact OD1-NH1 3.15Å; D136-R252 IonicContact OD1-NH2 2.67Å; D136-R252 PolarHBondContact OD1-NH2 3.4Å; D136-R256 VanDerWaalsContact O-CD 3.31Å; D136-R256 WeakPolarHBondContact O-CD 3.44Å; D136-R256 PolarHBondContact O-NH1 3.34Å; D136-N336 PolarHBondContact OD2-ND2 3.03Å; D136-L338 HydrophobicContact CB-CB 4.46Å; D136-L338 HydrophobicContact CB-CD2 3.93Å; D136-L338 WeakPolarHBondContact O-CD2 3.38Å; D136-R359 IonicContact OD1-NH1 2.84Å; D136-R359 PolarHBondContact OD1-NH1 3.3Å; D136-R359 IonicContact OD2-CZ 2.61Å; D136-R359 IonicContact OD2-NH1 3.97Å; D136-R359 PolarHBondContact OD2-NH1 3.45Å
137K91.5Very high94.4Very high115 Ų11543 Ų4350%0.522%0.22SC..Hα-helixtrans-78.8-23.4179.2-59.5178.9-177.5175.30112.7S134 F135S134-K137 WeakPolarHBondContact O-CA 3.44Å; S134-K137 WeakPolarHBondContact O-CB 3.24Å; S134-K137 PolarHBondContact O-N 2.97Å; F135-K137 VanDerWaalsContact C-N 3.34Å
138F93.8Very high94.3Very high44 Ų4440.7 Ų40.719%0.19321%0.213CC..SBendtrans-113.6150.8-173.4-69-91.6000114.3Q31 A35 L100 S134 R256Q31-F138 HydrophobicContact CB-CE1 4.22Å; Q31-F138 HydrophobicContact CB-CZ 4.17Å; A35-F138 HydrophobicContact CB-CD2 4.04Å; A35-F138 HydrophobicContact CB-CE2 3.38Å; A35-F138 HydrophobicContact CB-CZ 3.75Å; L100-F138 HydrophobicContact CB-CB 4.48Å; L100-F138 HydrophobicContact CB-CD1 4.11Å; L100-F138 HydrophobicContact CB-CG 4.34Å; L100-F138 HydrophobicContact CD1-CD2 4.47Å; L100-F138 HydrophobicContact CD1-CG 4.43Å; L100-F138 HydrophobicContact CD2-CB 3.54Å; L100-F138 HydrophobicContact CD2-CD2 4.32Å; L100-F138 HydrophobicContact CD2-CG 3.89Å; L100-F138 HydrophobicContact CG-CG 4.45Å; S134-F138 VanDerWaalsContact O-CD2 3.29Å; S134-F138 WeakPolarHBondContact O-CD2 3.24Å; S134-F138 PolarHBondContact O-N 3.19Å; F138-R256 PolarHBondContact O-NH1 3.12Å
139E93.5Very high94.1Very high54 Ų5440.6 Ų40.625%0.25221%0.212SC..  trans-78.1131.7157.8-86.5-163.1140.600108.5P104 R253P104-E139 HydrophobicContact CG-CB 4.37Å; P104-E139 HydrophobicContact CG-CG 4.42Å; E139-R253 WeakPolarHBondContact OE1-CD 3.49Å
140F96.4Very high94Very high19 Ų1940.1 Ų40.18%0.08321%0.211CC..  trans-128.6129.8-167-173.8-121.9000113.1T96 L100 L125 F128 I129 F135 E142T96-F140 HydrophobicContact CG2-CE2 3.81Å; T96-F140 HydrophobicContact CG2-CZ 3.79Å; T96-F140 WeakPolarHBondContact O-CE2 3.42Å; L100-F140 HydrophobicContact CD2-CD2 3.52Å; L100-F140 HydrophobicContact CD2-CE2 4.1Å; L100-F140 HydrophobicContact CD2-CG 4.36Å; L100-F140 HydrophobicContact CG-CD2 4.17Å; L100-F140 HydrophobicContact CG-CE2 4.44Å; L125-F140 HydrophobicContact CD1-CE1 3.87Å; L125-F140 HydrophobicContact CD1-CZ 3.64Å; F128-F140 HydrophobicContact CD1-CZ 4.27Å; F128-F140 HydrophobicContact CE1-CD2 4.35Å; F128-F140 HydrophobicContact CE1-CE1 4.39Å; F128-F140 HydrophobicContact CE1-CE2 4.03Å; F128-F140 HydrophobicContact CE1-CZ 4.05Å; I129-F140 HydrophobicContact CD1-CE1 4.27Å; I129-F140 HydrophobicContact CG1-CE1 4.24Å; F135-F140 HydrophobicContact CD2-CD1 4.32Å; F135-F140 HydrophobicContact CE2-CB 4.21Å; F135-F140 AromaticContact CE2-CD1 3.7Å; F135-F140 HydrophobicContact CE2-CD1 3.7Å; F135-F140 HydrophobicContact CE2-CE1 4.41Å; F135-F140 HydrophobicContact CE2-CG 4.2Å; F140-E142 HydrophobicContact CD1-CB 4.3Å; F140-E142 HydrophobicContact CE1-CB 3.98Å; F140-E142 HydrophobicContact CE1-CG 4.23Å
141C97.1Very high94Very high4 Ų436.7 Ų36.73%0.02720%0.197CC..  trans-94.8101.8162.8-165.30000109.9G99 I102 G103 G106 N108 P143G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.44Å; G99-C141 PolarHBondContact O-N 3.38Å; I102-C141 HydrophobicContact CD1-CB 3.82Å; I102-C141 HydrophobicContact CG1-CB 3.56Å; G103-C141 WeakPolarHBondContact O-CB 3.48Å; G106-C141 VanDerWaalsContact C-SG 3.56Å; G106-C141 PolarHBondContact O-SG 3.49Å; G106-C141 VanDerWaalsContact O-SG 3.36Å; N108-C141 HydrophobicContact CB-CB 4.4Å; N108-C141 PolarHBondContact ND2-O 2.96Å; C141-P143 WeakPolarHBondContact O-CD 3.48Å
142E96.7Very high94Very high112 Ų11232.7 Ų32.752%0.52318%0.175SC..  trans-58125.3174.5-167.1175.8158.200111.1L125 I129 F140L125-E142 HydrophobicContact CD2-CG 3.8Å; L125-E142 HydrophobicContact CG-CG 4.5Å; I129-E142 HydrophobicContact CD1-CG 4.23Å; F140-E142 HydrophobicContact CD1-CB 4.3Å; F140-E142 HydrophobicContact CE1-CB 3.98Å; F140-E142 HydrophobicContact CE1-CG 4.23Å
143P97.8Very high93.9Very high5 Ų532 Ų323%0.03217%0.17CC..  trans-73.6136.5176.125.3-28.6000112N108 L125 C141 F145N108-P143 HydrophobicContact CB-CB 4.37Å; N108-P143 CarbonylContact O-C 3.43Å; N108-P143 WeakPolarHBondContact O-CA 3.45Å; L125-P143 HydrophobicContact CD1-CG 3.91Å; L125-P143 HydrophobicContact CD2-CG 3.83Å; L125-P143 HydrophobicContact CG-CG 4.45Å; C141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-F145 HydrophobicContact CB-CE1 4.04Å; P143-F145 HydrophobicContact CB-CE2 4.07Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE1 4.46Å; P143-F145 HydrophobicContact CG-CE2 3.83Å; P143-F145 HydrophobicContact CG-CZ 3.6Å
144A97.7Very high93.8Very high36 Ų3629.3 Ų29.330%0.29816%0.156SC..EExtended strand (participates in β ladder)trans-101.7115.4170.700000110.2N108 H109 G110 P236N108-A144 PolarHBondContact O-N 2.87Å; H109-A144 WeakPolarHBondContact CA-O 3.46Å; G110-A144 PolarHBondContact N-O 2.92Å; A144-P236 HydrophobicContact CB-CB 4.49Å; A144-P236 HydrophobicContact CB-CG 3.87Å
145F98Very high93.1Very high10 Ų1034 Ų344%0.04418%0.184CC..EExtended strand (participates in β ladder)trans-96.4136.3-178.9-57.7-67.8000112S89 G110 V118 A121 R122 L125 P143S89-F145 WeakPolarHBondContact OG-CD1 3.44Å; G110-F145 CarbonylContact O-C 3.6Å; G110-F145 WeakPolarHBondContact O-CA 3.26Å; V118-F145 HydrophobicContact CG1-CB 3.89Å; A121-F145 HydrophobicContact CB-CD2 4.04Å; A121-F145 HydrophobicContact CB-CE1 4.45Å; A121-F145 HydrophobicContact CB-CE2 3.92Å; A121-F145 HydrophobicContact CB-CG 4.34Å; A121-F145 HydrophobicContact CB-CZ 4.15Å; R122-F145 HydrophobicContact CG-CD2 4.05Å; R122-F145 PolarHBondContact NH2-O 3.01Å; L125-F145 HydrophobicContact CD2-CE2 4.16Å; P143-F145 HydrophobicContact CB-CE1 4.04Å; P143-F145 HydrophobicContact CB-CE2 4.07Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE1 4.46Å; P143-F145 HydrophobicContact CG-CE2 3.83Å; P143-F145 HydrophobicContact CG-CZ 3.6Å
146V96.8Very high92.4Very high26 Ų2640.5 Ų40.516%0.15822%0.219CC..EExtended strand (participates in β ladder)trans-123.8138.3177.7-179.30000109.9G110 V111 E112 V233 L235 P236G110-V146 PolarHBondContact O-N 3.41Å; V111-V146 WeakPolarHBondContact CA-O 3.49Å; E112-V146 PolarHBondContact N-O 3.3Å; V146-V233 HydrophobicContact CG1-CG1 3.7Å; V146-L235 HydrophobicContact CG2-CD2 4.49Å; V146-P236 HydrophobicContact CG2-CG 3.96Å
147V96.9Very high92Very high62 Ų6241.1 Ų41.138%0.37622%0.224SC..EExtended strand (participates in β ladder)trans-81.7126.5172.4-175.70000108.6E112 K115 V118E112-V147 CarbonylContact O-C 3.58Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.03Å; K115-V147 HydrophobicContact CB-CG1 4.16Å; K115-V147 HydrophobicContact CB-CG2 4.26Å; K115-V147 HydrophobicContact CG-CG2 4.16Å; V118-V147 HydrophobicContact CB-CG2 3.86Å; V118-V147 HydrophobicContact CG1-CG2 3.96Å; V118-V147 HydrophobicContact CG2-CG2 3.77Å
148G94.3Very high91.8Very high13 Ų1340.3 Ų40.313%0.13422%0.221CC..SBendtrans164.8171.3175.700000114.7V111 E112 L113V111-G148 WeakPolarHBondContact CG1-O 3.39Å; E112-G148 CarbonylContact C-O 3.56Å; E112-G148 PolarHBondContact O-N 3.31Å; L113-G148 WeakPolarHBondContact CA-O 3.46Å; L113-G148 PolarHBondContact N-O 2.93Å
149N92.9Very high91.8Very high7 Ų742.1 Ų42.14%0.03723%0.231CC..  trans-80.6129.8174.4-165-32.1000110.6L113 L151 E152 V220 V233L113-N149 HydrophobicContact CD1-CB 4.31Å; N149-L151 PolarHBondContact O-N 3.49Å; N149-L151 PolarHBondContact OD1-N 2.74Å; N149-E152 HydrophobicContact CB-CB 4.27Å; N149-E152 HydrophobicContact CB-CG 4.05Å; N149-E152 PolarHBondContact O-N 2.82Å; N149-V220 PolarHBondContact ND2-O 2.71Å; N149-V233 WeakPolarHBondContact O-CG2 3.33Å
150C92.3Very high92Very high9 Ų939.7 Ų39.76%0.06122%0.219CC..G310 helixtrans-60.2-25.1176.9-660000113.1L87 G88 E152 Y176 L219L87-C150 VanDerWaalsContact CA-SG 3.6Å; L87-C150 HydrophobicContact CB-CB 4.11Å; L87-C150 HydrophobicContact CD2-CB 3.97Å; L87-C150 HydrophobicContact CG-CB 4.48Å; G88-C150 PolarHBondContact N-SG 3.46Å; G88-C150 VanDerWaalsContact N-SG 3.44Å; C150-E152 VanDerWaalsContact C-N 3.28Å; C150-E152 PolarHBondContact O-N 3.48Å; C150-Y176 WeakPolarHBondContact O-CE1 3.35Å; C150-Y176 PolarHBondContact O-OH 3.43Å; C150-Y176 VanDerWaalsContact O-OH 3.11Å; C150-L219 HydrophobicContact CB-CD1 4.3Å
151L91.4Very high92.1Very high28 Ų2840.2 Ų40.215%0.14722%0.223CC..G310 helixtrans-82.10.6176.4-62.5175.5000114.2N149 H173 Y176 M177 L219 Q221N149-L151 PolarHBondContact O-N 3.49Å; N149-L151 PolarHBondContact OD1-N 2.74Å; L151-H173 HydrophobicContact CD2-CB 3.88Å; L151-Y176 HydrophobicContact CD2-CD1 4.04Å; L151-Y176 HydrophobicContact CD2-CE1 4.29Å; L151-Y176 PolarHBondContact O-OH 3.42Å; L151-M177 HydrophobicContact CD2-CE 3.59Å; L151-L219 HydrophobicContact CD1-CD2 3.57Å; L151-L219 HydrophobicContact CD2-CD2 4.23Å; L151-L219 HydrophobicContact CG-CD2 3.52Å; L151-Q221 HydrophobicContact CD1-CG 4.22Å
152E90.8Very high92.2Very high23 Ų2341.3 Ų41.311%0.10723%0.226CC..G310 helixtrans-125.120.8-175-60.4-175.914400112.7N149 C150 Y176 Q222 R224 T232 V233N149-E152 HydrophobicContact CB-CB 4.27Å; N149-E152 HydrophobicContact CB-CG 4.05Å; N149-E152 PolarHBondContact O-N 2.82Å; C150-E152 VanDerWaalsContact C-N 3.28Å; C150-E152 PolarHBondContact O-N 3.48Å; E152-Y176 PolarHBondContact N-OH 2.99Å; E152-Q222 PolarHBondContact OE2-OE1 3.42Å; E152-R224 IonicContact OE1-CZ 3.69Å; E152-R224 IonicContact OE1-NE 3.07Å; E152-R224 IonicContact OE1-NH2 2.7Å; E152-R224 PolarHBondContact OE1-NH2 3.11Å; E152-T232 CarbonylContact O-C 3.58Å; E152-T232 WeakPolarHBondContact O-CA 3.38Å; E152-V233 HydrophobicContact CB-CG2 4.35Å; E152-V233 PolarHBondContact O-N 2.97Å
153I91.7Very high92.3Very high6 Ų636 Ų363%0.03120%0.202CC..BIsolated β-bridgetrans-66131.8173.4-59.9171.5000109.2L85 L87 V111 T155 S157 Y176 L180 V233 L235L85-I153 HydrophobicContact CD2-CD1 4.28Å; L87-I153 HydrophobicContact CD2-CD1 3.51Å; V111-I153 HydrophobicContact CG2-CD1 4.06Å; V111-I153 HydrophobicContact CG2-CG1 4.49Å; I153-T155 PolarHBondContact O-N 2.94Å; I153-S157 WeakPolarHBondContact CG2-OG 3.17Å; I153-Y176 WeakPolarHBondContact CA-OH 3.37Å; I153-Y176 WeakPolarHBondContact CB-OH 3.41Å; I153-Y176 PolarHBondContact N-OH 3.06Å; I153-Y176 PolarHBondContact O-OH 3.18Å; I153-L180 HydrophobicContact CD1-CD1 4.14Å; I153-L180 HydrophobicContact CG2-CD2 4.31Å; I153-V233 HydrophobicContact CG1-CB 4.35Å; I153-L235 HydrophobicContact CG2-CD1 3.84Å; I153-L235 HydrophobicContact CG2-CG 4.14Å
154S85.4Confident92.3Very high10 Ų1036 Ų367%0.0720%0.201CC..  trans-53.5133178.5-173.50000111.4D156 S157 T232 V233S154-D156 PolarHBondContact O-N 2.83Å; S154-D156 PolarHBondContact OG-N 2.77Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.39Å; S154-S157 PolarHBondContact O-OG 3.2Å; S154-T232 VanDerWaalsContact CB-CG2 3.45Å; S154-V233 PolarHBondContact N-O 3.37Å
155T75.4Confident92.3Very high120 Ų12034.3 Ų34.374%0.73619%0.187SC*.THydrogen-bonded Turntrans-64.5-20.2173.3500000113I153 S157I153-T155 PolarHBondContact O-N 2.94Å; T155-S157 PolarHBondContact O-N 2.83Å
156D79.4Confident92.1Very high143 Ų14334.6 Ų34.677%0.76519%0.193SC*.THydrogen-bonded Turntrans-79-3.2174.2-59.9-23.7000112.2S154S154-D156 PolarHBondContact O-N 2.83Å; S154-D156 PolarHBondContact OG-N 2.77Å
157S82.3Confident91.9Very high18 Ų1834.3 Ų34.313%0.12619%0.193CC..SBendtrans-65.7147.9175.3-59.70000111.2I153 S154 T155I153-S157 WeakPolarHBondContact CG2-OG 3.17Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.39Å; S154-S157 PolarHBondContact O-OG 3.2Å; T155-S157 PolarHBondContact O-N 2.83Å
158H87.3Confident91.7Very high97 Ų9732.1 Ų32.145%0.44918%0.183SC..PPolyproline II helixtrans-59.1144.5174.2-44.185.8000111Y160H158-Y160 WeakPolarHBondContact O-CD2 3.48Å; H158-Y160 WeakPolarHBondContact O-CE2 3.47Å
159Q94.9Very high91.6Very high83 Ų8331.9 Ų31.939%0.38818%0.179SC..PPolyproline II helixtrans-76.1156.6169.6-69.2177.6-38.100111.1V179 L180 K182Q159-V179 PolarHBondContact NE2-O 2.82Å; Q159-L180 CarbonylContact C-O 3.55Å; Q159-L180 WeakPolarHBondContact CA-O 3.17Å; Q159-L180 WeakPolarHBondContact CB-O 3.46Å; Q159-K182 HydrophobicContact CB-CB 4.46Å; Q159-K182 HydrophobicContact CB-CG 3.51Å; Q159-K182 WeakPolarHBondContact O-CE 3.28Å
160Y97.4Very high91.5Very high2 Ų235.8 Ų35.81%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-114.2149.6-175.7-69.7-90.5000112.9S83 F84 L85 V107 H109 H158 L180 K182 L235S83-Y160 WeakPolarHBondContact OG-CA 3.32Å; F84-Y160 VanDerWaalsContact C-CD1 3.47Å; L85-Y160 HydrophobicContact CB-CD1 3.72Å; L85-Y160 HydrophobicContact CB-CD2 3.76Å; L85-Y160 HydrophobicContact CB-CE1 3.94Å; L85-Y160 HydrophobicContact CB-CE2 3.98Å; L85-Y160 HydrophobicContact CB-CG 3.63Å; L85-Y160 HydrophobicContact CD1-CE2 4.34Å; L85-Y160 HydrophobicContact CD2-CD2 3.8Å; L85-Y160 HydrophobicContact CD2-CE2 3.79Å; L85-Y160 HydrophobicContact CG-CD2 4.35Å; L85-Y160 HydrophobicContact CG-CE2 4.27Å; V107-Y160 HydrophobicContact CG1-CE1 4.25Å; H109-Y160 HydrophobicContact CB-CE1 4.49Å; H109-Y160 AromaticContact ND1-CZ 3.82Å; H109-Y160 PolarHBondContact ND1-OH 3Å; H158-Y160 WeakPolarHBondContact O-CD2 3.48Å; H158-Y160 WeakPolarHBondContact O-CE2 3.47Å; Y160-L180 PolarHBondContact N-O 2.9Å; Y160-K182 WeakPolarHBondContact O-CB 3.34Å; Y160-K182 PolarHBondContact O-N 2.83Å; Y160-L235 HydrophobicContact CE2-CD1 3.96Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.38Å
161D98.6Very high91.3Very high30 Ų3041 Ų4116%0.1622%0.219CC..EExtended strand (participates in β ladder)trans-73.5-34.4171.8-60.1-71.4000110.7L82 S83 K182 G185 I186L82-D161 HydrophobicContact CB-CB 4.13Å; L82-D161 HydrophobicContact CD2-CB 3.91Å; L82-D161 HydrophobicContact CG-CB 4.42Å; S83-D161 WeakPolarHBondContact CB-OD2 3.28Å; S83-D161 PolarHBondContact N-OD2 3.41Å; S83-D161 WeakPolarHBondContact O-CB 3.33Å; S83-D161 PolarHBondContact O-N 3.4Å; S83-D161 VanDerWaalsContact O-N 3.1Å; S83-D161 PolarHBondContact OG-N 3.2Å; S83-D161 PolarHBondContact OG-OD2 3.31Å; D161-K182 WeakPolarHBondContact OD1-CD 3.45Å; D161-K182 IonicContact OD1-NZ 3.51Å; D161-K182 PolarHBondContact OD1-NZ 3.14Å; D161-K182 IonicContact OD2-NZ 3.84Å; D161-K182 PolarHBondContact OD2-NZ 2.92Å; D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.5Å; D161-I186 PolarHBondContact O-N 3.2Å
162R98.7Very high91.2Very high28 Ų2844.3 Ų44.311%0.10624%0.237CC..EExtended strand (participates in β ladder)trans-137.8134.2-175.2-60.7-60.6-177.2-89.1-2.7110.7L76 K77 L78 L82 S83 F84 L85 I186L76-R162 HydrophobicContact CD2-CB 4.21Å; L76-R162 WeakPolarHBondContact O-CD 3.45Å; L76-R162 PolarHBondContact O-NE 3.19Å; K77-R162 PolarHBondContact O-NH2 3.31Å; L78-R162 HydrophobicContact CD2-CB 4.22Å; L78-R162 HydrophobicContact CD2-CG 4.05Å; L82-R162 HydrophobicContact CD1-CG 3.93Å; S83-R162 PolarHBondContact O-N 2.85Å; F84-R162 CarbonylContact C-O 3.58Å; F84-R162 VanDerWaalsContact CA-O 3.27Å; F84-R162 WeakPolarHBondContact CA-O 3.37Å; F84-R162 HydrophobicContact CD2-CB 3.81Å; L85-R162 PolarHBondContact N-O 2.93Å; R162-I186 CarbonylContact C-O 3.53Å; R162-I186 VanDerWaalsContact CA-O 3.3Å; R162-I186 WeakPolarHBondContact CA-O 3.23Å
163I98.5Very high91.2Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-134.6134.7177.5-54179000108.8L76 L85 L87 L180 L181 I186 L187 V188L76-I163 WeakPolarHBondContact CD2-O 3.33Å; L85-I163 HydrophobicContact CB-CG1 4.22Å; L85-I163 HydrophobicContact CB-CG2 4.4Å; L85-I163 VanDerWaalsContact O-CA 3.32Å; L85-I163 WeakPolarHBondContact O-CA 3.33Å; L87-I163 HydrophobicContact CD1-CG2 3.95Å; L87-I163 HydrophobicContact CG-CG2 4.23Å; I163-L180 HydrophobicContact CD1-CB 3.66Å; I163-L181 HydrophobicContact CB-CD1 4.36Å; I163-L181 HydrophobicContact CD1-CB 4.06Å; I163-L181 HydrophobicContact CD1-CD1 3.77Å; I163-L181 HydrophobicContact CG1-CD1 3.71Å; I163-I186 PolarHBondContact N-O 2.89Å; I163-L187 HydrophobicContact CB-CB 4.49Å; I163-L187 HydrophobicContact CB-CD1 3.63Å; I163-L187 HydrophobicContact CG2-CD1 3.53Å; I163-L187 CarbonylContact O-C 3.58Å; I163-L187 WeakPolarHBondContact O-CA 3.37Å; I163-V188 PolarHBondContact O-N 3.19Å
164Y98.4Very high91.2Very high4 Ų446.8 Ų46.82%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-120.4137.2167.7170.5-120.8000109.8Y69 V72 L85 N86 L87 L94 V188Y69-Y164 HydrophobicContact CE1-CE1 4.46Å; V72-Y164 HydrophobicContact CB-CD2 4.37Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.26Å; V72-Y164 HydrophobicContact CG1-CD2 3.42Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y164 HydrophobicContact CG1-CE2 3.75Å; V72-Y164 HydrophobicContact CG1-CG 3.71Å; V72-Y164 HydrophobicContact CG2-CD2 3.94Å; V72-Y164 HydrophobicContact CG2-CE2 3.45Å; V72-Y164 VanDerWaalsContact CG2-CE2 3.45Å; L85-Y164 PolarHBondContact O-N 2.91Å; N86-Y164 VanDerWaalsContact OD1-CD1 3.32Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.43Å; L87-Y164 PolarHBondContact N-O 2.91Å; L94-Y164 HydrophobicContact CD1-CD1 4.15Å; L94-Y164 HydrophobicContact CD1-CE1 4.07Å; L94-Y164 HydrophobicContact CD2-CD1 3.95Å; Y164-V188 CarbonylContact C-O 3.55Å; Y164-V188 VanDerWaalsContact CA-O 3.31Å; Y164-V188 WeakPolarHBondContact CA-O 3.36Å; Y164-V188 HydrophobicContact CD2-CB 4.37Å; Y164-V188 HydrophobicContact CD2-CG1 4.34Å; Y164-V188 WeakPolarHBondContact CD2-O 3.46Å
165C97.2Very high91.5Very high1 Ų151.5 Ų51.51%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-113.8116.3168.2-169.10000110.6L87 A167 V169 V188 M189 P190L87-C165 HydrophobicContact CB-CB 4.11Å; L87-C165 HydrophobicContact CD1-CB 4.29Å; L87-C165 WeakPolarHBondContact O-CA 3.31Å; C165-A167 PolarHBondContact O-N 3.13Å; C165-A167 PolarHBondContact SG-O 2.82Å; C165-V169 HydrophobicContact CB-CG2 4.17Å; C165-V188 PolarHBondContact N-O 3.24Å; C165-M189 HydrophobicContact CB-CB 3.62Å; C165-P190 WeakPolarHBondContact O-CD 3.36Å
166G94.1Very high92.3Very high17 Ų1748.7 Ų48.718%0.17525%0.249CC..  trans-83.314.6-179.800000115L87 F216L87-G166 PolarHBondContact O-N 3.48Å; G166-F216 VanDerWaalsContact O-CD1 3.27Å; G166-F216 WeakPolarHBondContact O-CD1 3.47Å
167A92.6Very high92.9Very high20 Ų2041.9 Ų41.917%0.16521%0.212CC..SBendtrans-138.3152.7179.200000111C165 V169 P190 L219C165-A167 PolarHBondContact O-N 3.13Å; C165-A167 PolarHBondContact SG-O 2.82Å; A167-V169 WeakPolarHBondContact O-CG2 3.48Å; A167-V169 PolarHBondContact O-N 2.95Å; A167-P190 WeakPolarHBondContact O-CG 3.45Å; A167-L219 HydrophobicContact CB-CB 4.13Å; A167-L219 HydrophobicContact CB-CD1 4.48Å; A167-L219 HydrophobicContact CB-CG 4.28Å
168G92.3Very high93.4Very high16 Ų1641.9 Ų41.917%0.16521%0.21CC..BIsolated β-bridgetrans-59.6116.6178.500000112.1A217 L219G168-A217 PolarHBondContact N-O 2.69Å; G168-L219 WeakPolarHBondContact O-CB 3.18Å; G168-L219 PolarHBondContact O-N 3.15Å
169V92.3Very high93.7Very high7 Ų741.6 Ų41.64%0.04222%0.215CC..BIsolated β-bridgetrans-96128180-176.10000109.8C165 A167 H173 M177 M189 P190 I191 L219C165-V169 HydrophobicContact CB-CG2 4.17Å; A167-V169 WeakPolarHBondContact O-CG2 3.48Å; A167-V169 PolarHBondContact O-N 2.95Å; V169-H173 HydrophobicContact CG1-CB 4.01Å; V169-M177 HydrophobicContact CG1-CG 4.38Å; V169-M189 HydrophobicContact CB-SD 4.13Å; V169-M189 HydrophobicContact CG1-CE 4.27Å; V169-M189 HydrophobicContact CG1-SD 4.12Å; V169-M189 HydrophobicContact CG2-CB 4.21Å; V169-M189 HydrophobicContact CG2-CG 4.38Å; V169-M189 HydrophobicContact CG2-SD 3.83Å; V169-P190 PolarHBondContact N-O 3.48Å; V169-I191 HydrophobicContact CB-CG1 4.46Å; V169-L219 HydrophobicContact CG2-CD1 4.38Å
170Q90.3Very high93.7Very high90 Ų9038.1 Ų38.142%0.42120%0.199SC..PPolyproline II helixtrans-77.1150.6172.6-64.9-179.311.500110.4D172 H173 E174Q170-D172 VanDerWaalsContact C-N 3.25Å; Q170-D172 VanDerWaalsContact C-OD1 3.24Å; Q170-D172 WeakPolarHBondContact CB-OD1 3.45Å; Q170-D172 PolarHBondContact O-N 3.13Å; Q170-H173 PolarHBondContact O-N 3.2Å; Q170-E174 PolarHBondContact O-N 3.17Å
171K87.8Confident93.6Very high117 Ų11738 Ų3851%0.50920%0.199SC..G310 helixtrans-58.6-33.7-174.1-91.7-175.7165.6157.20114.2H173 E174 I191 E192K171-H173 PolarHBondContact O-N 3.37Å; K171-E174 WeakPolarHBondContact O-CB 3.25Å; K171-E174 PolarHBondContact O-N 2.96Å; K171-I191 HydrophobicContact CG-CG2 4.23Å; K171-E192 VanDerWaalsContact CD-OE1 3.24Å; K171-E192 WeakPolarHBondContact CD-OE1 3.49Å; K171-E192 WeakPolarHBondContact CE-OE1 3.5Å; K171-E192 WeakPolarHBondContact CE-OE2 3.28Å; K171-E192 HydrophobicContact CG-CG 4.45Å; K171-E192 IonicContact NZ-OE1 2.77Å; K171-E192 PolarHBondContact NZ-OE1 3.13Å; K171-E192 IonicContact NZ-OE2 2.61Å; K171-E192 PolarHBondContact NZ-OE2 3.21Å
172D89.3Confident93.6Very high99 Ų9940 Ų4053%0.52921%0.206SC..G310 helixtrans-59.6-33.3174.853.3-8.4000113Q170Q170-D172 VanDerWaalsContact C-N 3.25Å; Q170-D172 VanDerWaalsContact C-OD1 3.24Å; Q170-D172 WeakPolarHBondContact CB-OD1 3.45Å; Q170-D172 PolarHBondContact O-N 3.13Å
173H90.5Very high93.5Very high43 Ų4342.9 Ų42.920%0.19922%0.223CC..G310 helixtrans-91-5179.5-63.6138.6000114.8L151 V169 Q170 K171 N175 Y176 M177 Q221L151-H173 HydrophobicContact CD2-CB 3.88Å; V169-H173 HydrophobicContact CG1-CB 4.01Å; Q170-H173 PolarHBondContact O-N 3.2Å; K171-H173 PolarHBondContact O-N 3.37Å; H173-N175 VanDerWaalsContact C-N 3.3Å; H173-N175 PolarHBondContact O-N 2.98Å; H173-Y176 WeakPolarHBondContact O-CB 3.12Å; H173-Y176 PolarHBondContact O-N 3.11Å; H173-M177 PolarHBondContact O-N 3.11Å; H173-Q221 PolarHBondContact CE1-NE2 2.79Å
174E91.9Very high93.5Very high38 Ų3845.2 Ų45.218%0.17825%0.247CC..Hα-helixtrans-56.7-44.8-180-177.9-177.2159.100111.8Q170 K171 Y176 M177 K178 M189 I191 I198Q170-E174 PolarHBondContact O-N 3.17Å; K171-E174 WeakPolarHBondContact O-CB 3.25Å; K171-E174 PolarHBondContact O-N 2.96Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 2.92Å; E174-M177 PolarHBondContact O-N 3.22Å; E174-K178 HydrophobicContact CG-CD 4.29Å; E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 3.23Å; E174-K178 WeakPolarHBondContact OE1-CE 3.3Å; E174-K178 IonicContact OE1-NZ 2.92Å; E174-K178 PolarHBondContact OE1-NZ 2.92Å; E174-M189 HydrophobicContact CB-CE 4.18Å; E174-M189 HydrophobicContact CG-CE 3.72Å; E174-I191 HydrophobicContact CG-CD1 4.15Å; E174-I198 HydrophobicContact CG-CD1 4.47Å
175N91.9Very high93.5Very high109 Ų10945 Ų4558%0.58325%0.246SC*.Hα-helixtrans-65.9-36-179.1-72.9-32.4000112.4H173 K178 V179H173-N175 VanDerWaalsContact C-N 3.3Å; H173-N175 PolarHBondContact O-N 2.98Å; N175-K178 WeakPolarHBondContact O-CB 3.4Å; N175-K178 PolarHBondContact O-N 3.43Å; N175-V179 WeakPolarHBondContact O-CG2 3.31Å; N175-V179 PolarHBondContact O-N 3.48Å
176Y91.7Very high93.5Very high60 Ų6045.4 Ų45.424%0.23525%0.248CC..Hα-helixtrans-62.4-46177171.3-87.9000110.7C150 L151 E152 I153 H173 E174 K178 V179 L180C150-Y176 WeakPolarHBondContact O-CE1 3.35Å; C150-Y176 PolarHBondContact O-OH 3.43Å; C150-Y176 VanDerWaalsContact O-OH 3.11Å; L151-Y176 HydrophobicContact CD2-CD1 4.04Å; L151-Y176 HydrophobicContact CD2-CE1 4.29Å; L151-Y176 PolarHBondContact O-OH 3.42Å; E152-Y176 PolarHBondContact N-OH 2.99Å; I153-Y176 WeakPolarHBondContact CA-OH 3.37Å; I153-Y176 WeakPolarHBondContact CB-OH 3.41Å; I153-Y176 PolarHBondContact N-OH 3.06Å; I153-Y176 PolarHBondContact O-OH 3.18Å; H173-Y176 WeakPolarHBondContact O-CB 3.12Å; H173-Y176 PolarHBondContact O-N 3.11Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 2.92Å; Y176-K178 VanDerWaalsContact C-N 3.34Å; Y176-K178 PolarHBondContact O-N 3.06Å; Y176-V179 PolarHBondContact O-N 3.33Å; Y176-L180 HydrophobicContact CE1-CD1 4.42Å
177M92.8Very high93.7Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-64.8-38177.3-58.8-53.5-175.200112.4L87 L151 V169 H173 E174 V179 L180 L187 M189 L219L87-M177 HydrophobicContact CD1-CE 4.04Å; L87-M177 HydrophobicContact CD1-SD 3.41Å; L87-M177 WeakPolarHBondContact CD1-SD 3.33Å; L151-M177 HydrophobicContact CD2-CE 3.59Å; V169-M177 HydrophobicContact CG1-CG 4.38Å; H173-M177 PolarHBondContact O-N 3.11Å; E174-M177 PolarHBondContact O-N 3.22Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 PolarHBondContact O-N 2.95Å; M177-L180 PolarHBondContact O-N 3.25Å; M177-L187 HydrophobicContact CB-CD2 3.97Å; M177-M189 HydrophobicContact CB-CE 4.19Å; M177-M189 HydrophobicContact CB-SD 3.93Å; M177-M189 HydrophobicContact CG-CE 4.49Å; M177-M189 HydrophobicContact CG-SD 3.96Å; M177-L219 HydrophobicContact CE-CD1 3.67Å
178K93.5Very high94Very high19 Ų1943.7 Ų43.78%0.08323%0.232CC..Hα-helixtrans-60.1-38.8177.1-81.8177.8179.4172.80112.8E174 N175 Y176 L180 L181 L187 W206E174-K178 HydrophobicContact CG-CD 4.29Å; E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 3.23Å; E174-K178 WeakPolarHBondContact OE1-CE 3.3Å; E174-K178 IonicContact OE1-NZ 2.92Å; E174-K178 PolarHBondContact OE1-NZ 2.92Å; N175-K178 WeakPolarHBondContact O-CB 3.4Å; N175-K178 PolarHBondContact O-N 3.43Å; Y176-K178 VanDerWaalsContact C-N 3.34Å; Y176-K178 PolarHBondContact O-N 3.06Å; K178-L180 PolarHBondContact O-N 2.97Å; K178-L181 VanDerWaalsContact O-CB 3.32Å; K178-L181 WeakPolarHBondContact O-CB 3.16Å; K178-L181 PolarHBondContact O-N 2.92Å; K178-L187 HydrophobicContact CG-CD2 4.35Å; K178-W206 HydrophobicContact CB-CE3 4.47Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.77Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.84Å; K178-W206 HydrophobicContact CD-CE3 4.03Å; K178-W206 HydrophobicContact CD-CG 4.33Å; K178-W206 HydrophobicContact CD-CH2 4.35Å; K178-W206 HydrophobicContact CD-CZ2 4.18Å; K178-W206 HydrophobicContact CD-CZ3 4.23Å; K178-W206 HydrophobicContact CG-CD2 4.27Å; K178-W206 HydrophobicContact CG-CE3 3.97Å; K178-W206 HydrophobicContact CG-CH2 3.91Å; K178-W206 HydrophobicContact CG-CZ2 4.22Å; K178-W206 HydrophobicContact CG-CZ3 3.74Å; K178-W206 VanDerWaalsContact O-CH2 3.24Å; K178-W206 WeakPolarHBondContact O-CH2 3.25Å
179V92.9Very high94.2Very high90 Ų9042.9 Ų42.955%0.54522%0.224SC..Hα-helixtrans-62.3-29.4-177.4169.30000112.6Q159 N175 Y176 M177 L181Q159-V179 PolarHBondContact NE2-O 2.82Å; N175-V179 WeakPolarHBondContact O-CG2 3.31Å; N175-V179 PolarHBondContact O-N 3.48Å; Y176-V179 PolarHBondContact O-N 3.33Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 PolarHBondContact O-N 2.95Å; V179-L181 PolarHBondContact O-N 3.47Å
180L94.7Very high94.4Very high11 Ų1142.7 Ų42.76%0.05822%0.223CC..THydrogen-bonded Turntrans-71.3-11.4176.3-58.5175.5000113.2L85 I153 Q159 Y160 I163 Y176 M177 K178L85-L180 HydrophobicContact CD2-CD1 4.08Å; I153-L180 HydrophobicContact CD1-CD1 4.14Å; I153-L180 HydrophobicContact CG2-CD2 4.31Å; Q159-L180 CarbonylContact C-O 3.55Å; Q159-L180 WeakPolarHBondContact CA-O 3.17Å; Q159-L180 WeakPolarHBondContact CB-O 3.46Å; Y160-L180 PolarHBondContact N-O 2.9Å; I163-L180 HydrophobicContact CD1-CB 3.66Å; Y176-L180 HydrophobicContact CE1-CD1 4.42Å; M177-L180 PolarHBondContact O-N 3.25Å; K178-L180 PolarHBondContact O-N 2.97Å
181L96.8Very high94.5Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-94.6132.3-174.8-16369000112I163 K178 V179 G185 L187 R200 W206I163-L181 HydrophobicContact CB-CD1 4.36Å; I163-L181 HydrophobicContact CD1-CB 4.06Å; I163-L181 HydrophobicContact CD1-CD1 3.77Å; I163-L181 HydrophobicContact CG1-CD1 3.71Å; K178-L181 VanDerWaalsContact O-CB 3.32Å; K178-L181 WeakPolarHBondContact O-CB 3.16Å; K178-L181 PolarHBondContact O-N 2.92Å; V179-L181 PolarHBondContact O-N 3.47Å; L181-G185 WeakPolarHBondContact CD2-O 3.24Å; L181-L187 HydrophobicContact CD1-CB 4.31Å; L181-L187 HydrophobicContact CD2-CB 3.77Å; L181-R200 HydrophobicContact CD2-CB 4.08Å; L181-R200 WeakPolarHBondContact O-CD 3.4Å; L181-R200 PolarHBondContact O-NH1 3.44Å; L181-W206 HydrophobicContact CB-CZ3 4.44Å; L181-W206 HydrophobicContact CD2-CZ3 3.99Å
182K97Very high94.5Very high70 Ų7039.5 Ų39.530%0.30421%0.21SC..EExtended strand (participates in β ladder)trans-66.4158.9172.1-67.9178.5-167.6170.80111.4S83 Q159 Y160 D161 G184 G185 R200S83-K182 PolarHBondContact OG-NZ 2.84Å; Q159-K182 HydrophobicContact CB-CB 4.46Å; Q159-K182 HydrophobicContact CB-CG 3.51Å; Q159-K182 WeakPolarHBondContact O-CE 3.28Å; Y160-K182 WeakPolarHBondContact O-CB 3.34Å; Y160-K182 PolarHBondContact O-N 2.83Å; D161-K182 WeakPolarHBondContact OD1-CD 3.45Å; D161-K182 IonicContact OD1-NZ 3.51Å; D161-K182 PolarHBondContact OD1-NZ 3.14Å; D161-K182 IonicContact OD2-NZ 3.84Å; D161-K182 PolarHBondContact OD2-NZ 2.92Å; K182-G184 PolarHBondContact O-N 2.78Å; K182-G185 WeakPolarHBondContact O-CA 3.09Å; K182-G185 PolarHBondContact O-N 3.36Å; K182-R200 WeakPolarHBondContact O-CB 3.26Å; K182-R200 WeakPolarHBondContact O-CD 3.45Å
183I97.4Very high94.6Very high90 Ų9039.8 Ų39.846%0.46221%0.211SC..EExtended strand (participates in β ladder)trans-62.2133.5166.1-60.2175.9000108.6G185 R200I183-G185 PolarHBondContact O-N 2.78Å; I183-R200 HydrophobicContact CG1-CG 4.38Å
184G97.4Very high94.7Very high49 Ų4940.8 Ų40.851%0.50522%0.216SC..EExtended strand (participates in β ladder)trans79.6-2.3-170.300000114.2K182 R200K182-G184 PolarHBondContact O-N 2.78Å; G184-R200 WeakPolarHBondContact CA-O 3.2Å; G184-R200 PolarHBondContact N-O 3.38Å
185G98.3Very high94.9Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-76.1161.3177.900000113.2D161 L181 K182 I183 T199 R200D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.5Å; L181-G185 WeakPolarHBondContact CD2-O 3.24Å; K182-G185 WeakPolarHBondContact O-CA 3.09Å; K182-G185 PolarHBondContact O-N 3.36Å; I183-G185 PolarHBondContact O-N 2.78Å; G185-T199 WeakPolarHBondContact O-CA 3.42Å; G185-R200 PolarHBondContact O-N 3.01Å; G185-R200 VanDerWaalsContact O-N 3.09Å
186I98.8Very high95.2Very high9 Ų934.2 Ų34.25%0.04618%0.183CC..EExtended strand (participates in β ladder)trans-121.5126.1177.5-61.1165.4000110.2K77 D161 R162 I163 V188 Q197 I198 T199K77-I186 HydrophobicContact CB-CD1 4.05Å; K77-I186 HydrophobicContact CD-CD1 3.99Å; K77-I186 HydrophobicContact CG-CD1 4.22Å; D161-I186 PolarHBondContact O-N 3.2Å; R162-I186 CarbonylContact C-O 3.53Å; R162-I186 VanDerWaalsContact CA-O 3.3Å; R162-I186 WeakPolarHBondContact CA-O 3.23Å; I163-I186 PolarHBondContact N-O 2.89Å; I186-V188 HydrophobicContact CG2-CG2 4.12Å; I186-Q197 HydrophobicContact CG2-CG 3.69Å; I186-I198 WeakPolarHBondContact CA-O 3.33Å; I186-T199 HydrophobicContact CG1-CG2 4.49Å
187L98.4Very high95.5Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-108.5128.7171.9167.463.5000108.9I163 M177 K178 L181 M189 Q197 I198I163-L187 HydrophobicContact CB-CB 4.49Å; I163-L187 HydrophobicContact CB-CD1 3.63Å; I163-L187 HydrophobicContact CG2-CD1 3.53Å; I163-L187 CarbonylContact O-C 3.58Å; I163-L187 WeakPolarHBondContact O-CA 3.37Å; M177-L187 HydrophobicContact CB-CD2 3.97Å; K178-L187 HydrophobicContact CG-CD2 4.35Å; L181-L187 HydrophobicContact CD1-CB 4.31Å; L181-L187 HydrophobicContact CD2-CB 3.77Å; L187-M189 HydrophobicContact CD1-CB 4.45Å; L187-M189 HydrophobicContact CD1-CG 4.36Å; L187-M189 HydrophobicContact CD1-SD 4.03Å; L187-M189 HydrophobicContact CD2-CE 3.81Å; L187-M189 HydrophobicContact CD2-SD 3.79Å; L187-M189 HydrophobicContact CG-CG 4.26Å; L187-M189 HydrophobicContact CG-SD 4.08Å; L187-Q197 CarbonylContact O-C 3.55Å; L187-Q197 WeakPolarHBondContact O-CA 3.1Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CD1 4.41Å; L187-I198 PolarHBondContact N-O 2.87Å; L187-I198 PolarHBondContact O-N 2.79Å
188V98.4Very high95.7Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-117.7119.3173.1-179.10000108.3V72 A75 L76 I163 Y164 C165 I186 L195 T196 I211V72-V188 HydrophobicContact CG1-CG1 4.44Å; V72-V188 HydrophobicContact CG2-CG1 4.1Å; A75-V188 HydrophobicContact CB-CG2 3.88Å; L76-V188 HydrophobicContact CD2-CB 4.2Å; L76-V188 HydrophobicContact CD2-CG2 3.72Å; L76-V188 HydrophobicContact CG-CG2 3.95Å; I163-V188 PolarHBondContact O-N 3.19Å; Y164-V188 CarbonylContact C-O 3.55Å; Y164-V188 VanDerWaalsContact CA-O 3.31Å; Y164-V188 WeakPolarHBondContact CA-O 3.36Å; Y164-V188 HydrophobicContact CD2-CB 4.37Å; Y164-V188 HydrophobicContact CD2-CG1 4.34Å; Y164-V188 WeakPolarHBondContact CD2-O 3.46Å; C165-V188 PolarHBondContact N-O 3.24Å; I186-V188 HydrophobicContact CG2-CG2 4.12Å; V188-L195 HydrophobicContact CG1-CD1 3.96Å; V188-L195 HydrophobicContact CG1-CD2 4.4Å; V188-L195 HydrophobicContact CG1-CG 4.09Å; V188-T196 WeakPolarHBondContact CA-O 3.04Å; V188-I211 HydrophobicContact CG1-CD1 4.2Å
189M96.7Very high96Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-153151.5177.763.4-173.6-173.800112.1C165 V169 E174 M177 L187 I191 T196 I198C165-M189 HydrophobicContact CB-CB 3.62Å; V169-M189 HydrophobicContact CB-SD 4.13Å; V169-M189 HydrophobicContact CG1-CE 4.27Å; V169-M189 HydrophobicContact CG1-SD 4.12Å; V169-M189 HydrophobicContact CG2-CB 4.21Å; V169-M189 HydrophobicContact CG2-CG 4.38Å; V169-M189 HydrophobicContact CG2-SD 3.83Å; E174-M189 HydrophobicContact CB-CE 4.18Å; E174-M189 HydrophobicContact CG-CE 3.72Å; M177-M189 HydrophobicContact CB-CE 4.19Å; M177-M189 HydrophobicContact CB-SD 3.93Å; M177-M189 HydrophobicContact CG-CE 4.49Å; M177-M189 HydrophobicContact CG-SD 3.96Å; L187-M189 HydrophobicContact CD1-CB 4.45Å; L187-M189 HydrophobicContact CD1-CG 4.36Å; L187-M189 HydrophobicContact CD1-SD 4.03Å; L187-M189 HydrophobicContact CD2-CE 3.81Å; L187-M189 HydrophobicContact CD2-SD 3.79Å; L187-M189 HydrophobicContact CG-CG 4.26Å; L187-M189 HydrophobicContact CG-SD 4.08Å; M189-I191 HydrophobicContact CE-CD1 3.33Å; M189-I191 HydrophobicContact CE-CG1 3.92Å; M189-I191 HydrophobicContact CG-CD1 3.98Å; M189-I191 HydrophobicContact CG-CG1 3.84Å; M189-I191 HydrophobicContact SD-CD1 4.4Å; M189-I191 HydrophobicContact SD-CG1 4.47Å; M189-T196 PolarHBondContact N-O 3.01Å; M189-T196 PolarHBondContact O-N 2.95Å; M189-I198 HydrophobicContact CE-CD1 4Å
190P95.3Very high96.2Very high3 Ų329.5 Ų29.52%0.01916%0.159CC..EExtended strand (participates in β ladder)trans-77.8123.217230.5-32.1000110.6C165 A167 V169 Q194 L195 V214 F216C165-P190 WeakPolarHBondContact O-CD 3.36Å; A167-P190 WeakPolarHBondContact O-CG 3.45Å; V169-P190 PolarHBondContact N-O 3.48Å; P190-Q194 CarbonylContact C-O 3.48Å; P190-Q194 WeakPolarHBondContact CA-O 3.42Å; P190-L195 HydrophobicContact CB-CD1 4.48Å; P190-V214 HydrophobicContact CB-CG2 3.88Å; P190-F216 HydrophobicContact CB-CB 4.31Å; P190-F216 HydrophobicContact CB-CD2 3.49Å; P190-F216 VanDerWaalsContact CB-CD2 3.49Å; P190-F216 HydrophobicContact CB-CE2 3.91Å; P190-F216 HydrophobicContact CB-CG 4.01Å; P190-F216 HydrophobicContact CG-CB 3.98Å; P190-F216 HydrophobicContact CG-CD1 4.11Å; P190-F216 HydrophobicContact CG-CD2 3.61Å; P190-F216 HydrophobicContact CG-CE1 4.45Å; P190-F216 HydrophobicContact CG-CE2 4Å; P190-F216 HydrophobicContact CG-CG 3.65Å; P190-F216 HydrophobicContact CG-CZ 4.38Å
191I93.3Very high96.3Very high14 Ų1432.9 Ų32.97%0.07218%0.18CC..EExtended strand (participates in β ladder)trans-132129.7175.8-50.9172.3000107.1V169 K171 E174 M189 D193 Q194 I198V169-I191 HydrophobicContact CB-CG1 4.46Å; K171-I191 HydrophobicContact CG-CG2 4.23Å; E174-I191 HydrophobicContact CG-CD1 4.15Å; M189-I191 HydrophobicContact CE-CD1 3.33Å; M189-I191 HydrophobicContact CE-CG1 3.92Å; M189-I191 HydrophobicContact CG-CD1 3.98Å; M189-I191 HydrophobicContact CG-CG1 3.84Å; M189-I191 HydrophobicContact SD-CD1 4.4Å; M189-I191 HydrophobicContact SD-CG1 4.47Å; I191-D193 VanDerWaalsContact C-N 3.3Å; I191-D193 PolarHBondContact O-N 3.44Å; I191-Q194 PolarHBondContact N-O 3.22Å; I191-Q194 PolarHBondContact O-N 3.15Å; I191-Q194 VanDerWaalsContact O-O 3.14Å; I191-I198 HydrophobicContact CD1-CD1 4.02Å
192E88.3Confident96.2Very high125 Ų12533.6 Ų33.658%0.58419%0.187SC*.THydrogen-bonded Turntrans49.348.4-179.5-63.5-173.6147.900113.4K171 Q194K171-E192 VanDerWaalsContact CD-OE1 3.24Å; K171-E192 WeakPolarHBondContact CD-OE1 3.49Å; K171-E192 WeakPolarHBondContact CE-OE1 3.5Å; K171-E192 WeakPolarHBondContact CE-OE2 3.28Å; K171-E192 HydrophobicContact CG-CG 4.45Å; K171-E192 IonicContact NZ-OE1 2.77Å; K171-E192 PolarHBondContact NZ-OE1 3.13Å; K171-E192 IonicContact NZ-OE2 2.61Å; K171-E192 PolarHBondContact NZ-OE2 3.21Å; E192-Q194 PolarHBondContact O-N 3.35Å; E192-Q194 VanDerWaalsContact O-N 3.1Å
193D89.9Confident95.9Very high105 Ų10537.1 Ų37.156%0.56121%0.205SC*.THydrogen-bonded Turntrans59.519.9-178.8-57.6-40.3000114.5I191 A213 V214I191-D193 VanDerWaalsContact C-N 3.3Å; I191-D193 PolarHBondContact O-N 3.44Å; D193-A213 WeakPolarHBondContact O-CA 3.49Å; D193-V214 CarbonylContact C-O 3.56Å; D193-V214 VanDerWaalsContact CA-O 3.32Å; D193-V214 WeakPolarHBondContact CA-O 3.2Å; D193-V214 WeakPolarHBondContact CB-O 3.39Å; D193-V214 PolarHBondContact O-N 3.08Å; D193-V214 VanDerWaalsContact O-O 3.05Å
194Q94.1Very high95.7Very high64 Ų6437.6 Ų37.630%0.29922%0.216SC..EExtended strand (participates in β ladder)trans-122.2126.5173.8-61.4-61-50.100111.1P190 I191 E192 T196P190-Q194 CarbonylContact C-O 3.48Å; P190-Q194 WeakPolarHBondContact CA-O 3.42Å; I191-Q194 PolarHBondContact N-O 3.22Å; I191-Q194 PolarHBondContact O-N 3.15Å; I191-Q194 VanDerWaalsContact O-O 3.14Å; E192-Q194 PolarHBondContact O-N 3.35Å; E192-Q194 VanDerWaalsContact O-N 3.1Å; Q194-T196 PolarHBondContact O-N 3.49Å; Q194-T196 PolarHBondContact O-OG1 2.96Å
195L96.2Very high95.6Very high0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-73.3113.6170.4-169.770.8000107.8V72 V188 P190 I211 L212 V214 F216V72-L195 HydrophobicContact CG2-CD1 4.37Å; V72-L195 HydrophobicContact CG2-CD2 3.91Å; V188-L195 HydrophobicContact CG1-CD1 3.96Å; V188-L195 HydrophobicContact CG1-CD2 4.4Å; V188-L195 HydrophobicContact CG1-CG 4.09Å; P190-L195 HydrophobicContact CB-CD1 4.48Å; L195-I211 HydrophobicContact CD2-CD1 4.1Å; L195-I211 HydrophobicContact CG-CD1 4.16Å; L195-I211 WeakPolarHBondContact O-CB 3.19Å; L195-I211 PolarHBondContact O-N 3.38Å; L195-L212 HydrophobicContact CB-CD2 4.29Å; L195-L212 HydrophobicContact CB-CG 4.35Å; L195-L212 HydrophobicContact CD2-CD2 3.75Å; L195-L212 PolarHBondContact N-O 3.34Å; L195-V214 HydrophobicContact CB-CG1 3.84Å; L195-V214 HydrophobicContact CB-CG2 3.94Å; L195-V214 VanDerWaalsContact N-CG2 3.32Å; L195-F216 HydrophobicContact CD1-CE2 4.38Å
196T97.2Very high95.5Very high10 Ų1042.1 Ų42.16%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-116.9133.7-170.8-550000110.1V188 M189 Q194 I198 N210V188-T196 WeakPolarHBondContact CA-O 3.04Å; M189-T196 PolarHBondContact N-O 3.01Å; M189-T196 PolarHBondContact O-N 2.95Å; Q194-T196 PolarHBondContact O-N 3.49Å; Q194-T196 PolarHBondContact O-OG1 2.96Å; T196-I198 HydrophobicContact CG2-CG1 3.99Å; T196-N210 PolarHBondContact OG1-OD1 3.1Å
197Q98.1Very high95.5Very high17 Ų1746.3 Ų46.38%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-93.8124167.6-178.9174.61.900109.3A75 I186 L187 S208 R209 I211A75-Q197 PolarHBondContact O-NE2 3.48Å; I186-Q197 HydrophobicContact CG2-CG 3.69Å; L187-Q197 CarbonylContact O-C 3.55Å; L187-Q197 WeakPolarHBondContact O-CA 3.1Å; Q197-S208 CarbonylContact O-C 3.49Å; Q197-S208 WeakPolarHBondContact O-CA 3.45Å; Q197-R209 PolarHBondContact N-O 2.88Å; Q197-R209 PolarHBondContact O-N 3.23Å; Q197-I211 HydrophobicContact CB-CD1 4.1Å; Q197-I211 HydrophobicContact CB-CG1 4.22Å
198I98Very high95.3Very high0 Ų049.4 Ų49.40%027%0.27CS..EExtended strand (participates in β ladder)trans-118.2124.1177.2-58.6176.8000108.3E174 I186 L187 M189 I191 T196 W206 D207E174-I198 HydrophobicContact CG-CD1 4.47Å; I186-I198 WeakPolarHBondContact CA-O 3.33Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CD1 4.41Å; L187-I198 PolarHBondContact N-O 2.87Å; L187-I198 PolarHBondContact O-N 2.79Å; M189-I198 HydrophobicContact CE-CD1 4Å; I191-I198 HydrophobicContact CD1-CD1 4.02Å; T196-I198 HydrophobicContact CG2-CG1 3.99Å; I198-W206 HydrophobicContact CG2-CB 4.44Å; I198-W206 HydrophobicContact CG2-CE3 3.74Å; I198-W206 HydrophobicContact CG2-CZ3 4.46Å; I198-D207 CarbonylContact C-O 3.59Å; I198-D207 WeakPolarHBondContact CA-O 3.25Å
199T98.3Very high95.3Very high35 Ų3557.6 Ų57.622%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-109.2127.7175.7-54.60000109.6G185 I186 T201 W206 D207G185-T199 WeakPolarHBondContact O-CA 3.42Å; I186-T199 HydrophobicContact CG1-CG2 4.49Å; T199-T201 HydrophobicContact CG2-CG2 4.47Å; T199-T201 PolarHBondContact O-N 2.99Å; T199-W206 WeakPolarHBondContact O-CA 3.49Å; T199-D207 PolarHBondContact N-O 3.23Å; T199-D207 PolarHBondContact O-N 3.02Å
200R97.9Very high95.2Very high18 Ų1862.6 Ų62.67%0.06833%0.327CS..EExtended strand (participates in β ladder)trans-80.1107.8173.1-168.3174.3-173.6172.11.7109.3L181 K182 I183 G184 G185 G202 Q203 W206L181-R200 HydrophobicContact CD2-CB 4.08Å; L181-R200 WeakPolarHBondContact O-CD 3.4Å; L181-R200 PolarHBondContact O-NH1 3.44Å; K182-R200 WeakPolarHBondContact O-CB 3.26Å; K182-R200 WeakPolarHBondContact O-CD 3.45Å; I183-R200 HydrophobicContact CG1-CG 4.38Å; G184-R200 WeakPolarHBondContact CA-O 3.2Å; G184-R200 PolarHBondContact N-O 3.38Å; G185-R200 PolarHBondContact O-N 3.01Å; G185-R200 VanDerWaalsContact O-N 3.09Å; R200-G202 VanDerWaalsContact CG-O 3.25Å; R200-G202 WeakPolarHBondContact CG-O 3.42Å; R200-G202 PolarHBondContact NE-O 3.21Å; R200-Q203 PolarHBondContact NH2-O 3.42Å; R200-W206 HydrophobicContact CB-CE3 3.71Å; R200-W206 HydrophobicContact CB-CH2 3.86Å; R200-W206 HydrophobicContact CB-CZ3 3.36Å; R200-W206 HydrophobicContact CG-CD2 4.33Å; R200-W206 HydrophobicContact CG-CE3 3.91Å; R200-W206 HydrophobicContact CG-CH2 3.49Å; R200-W206 VanDerWaalsContact CG-CH2 3.49Å; R200-W206 HydrophobicContact CG-CZ2 3.94Å; R200-W206 HydrophobicContact CG-CZ3 3.52Å
201T97Very high95.2Very high82 Ų8264.5 Ų64.550%0.50334%0.337SS..  trans-90.2-17.5-177.356.60000113T199 T205 D207T199-T201 HydrophobicContact CG2-CG2 4.47Å; T199-T201 PolarHBondContact O-N 2.99Å; T201-T205 PolarHBondContact N-O 3.31Å; T201-T205 WeakPolarHBondContact OG1-CB 3.13Å; T201-T205 PolarHBondContact OG1-O 2.82Å; T201-T205 PolarHBondContact OG1-OG1 3.42Å; T201-D207 HydrophobicContact CG2-CB 4.06Å
202G95.1Very high95.2Very high14 Ų1465.9 Ų65.914%0.14434%0.344CS..SBendtrans-165.2-164.5-179.600000112.4R200 S204 T205R200-G202 VanDerWaalsContact CG-O 3.25Å; R200-G202 WeakPolarHBondContact CG-O 3.42Å; R200-G202 PolarHBondContact NE-O 3.21Å; G202-S204 VanDerWaalsContact C-N 3.32Å; G202-S204 PolarHBondContact O-N 3.41Å; G202-T205 VanDerWaalsContact CA-OG1 3.28Å; G202-T205 WeakPolarHBondContact CA-OG1 3.45Å; G202-T205 PolarHBondContact N-O 2.89Å; G202-T205 PolarHBondContact N-OG1 3.37Å
203Q90.9Very high95.3Very high145 Ų14563.2 Ų63.268%0.67834%0.344SS*.SBendtrans-62.6-40.2-175.1-168.563.422.900112.3R200R200-Q203 PolarHBondContact NH2-O 3.42Å
204S91.5Very high95.3Very high99 Ų9958.9 Ų58.969%0.69232%0.321SS*.SBendtrans-130.37.7-179.154.60000113.5G202G202-S204 VanDerWaalsContact C-N 3.32Å; G202-S204 PolarHBondContact O-N 3.41Å
205T95.9Very high95.1Very high72 Ų7259.9 Ų59.944%0.44234%0.335SS..  trans-107.2138-177.458.60000111.3T201 G202T201-T205 PolarHBondContact N-O 3.31Å; T201-T205 WeakPolarHBondContact OG1-CB 3.13Å; T201-T205 PolarHBondContact OG1-O 2.82Å; T201-T205 PolarHBondContact OG1-OG1 3.42Å; G202-T205 VanDerWaalsContact CA-OG1 3.28Å; G202-T205 WeakPolarHBondContact CA-OG1 3.45Å; G202-T205 PolarHBondContact N-O 2.89Å; G202-T205 PolarHBondContact N-OG1 3.37Å
206W96.9Very high94.7Very high73 Ų7360.9 Ų60.928%0.27734%0.339SS..EExtended strand (participates in β ladder)trans-137.4142.9-173.4-53.988.6000109.4K178 L181 I198 T199 R200K178-W206 HydrophobicContact CB-CE3 4.47Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.77Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.84Å; K178-W206 HydrophobicContact CD-CE3 4.03Å; K178-W206 HydrophobicContact CD-CG 4.33Å; K178-W206 HydrophobicContact CD-CH2 4.35Å; K178-W206 HydrophobicContact CD-CZ2 4.18Å; K178-W206 HydrophobicContact CD-CZ3 4.23Å; K178-W206 HydrophobicContact CG-CD2 4.27Å; K178-W206 HydrophobicContact CG-CE3 3.97Å; K178-W206 HydrophobicContact CG-CH2 3.91Å; K178-W206 HydrophobicContact CG-CZ2 4.22Å; K178-W206 HydrophobicContact CG-CZ3 3.74Å; K178-W206 VanDerWaalsContact O-CH2 3.24Å; K178-W206 WeakPolarHBondContact O-CH2 3.25Å; L181-W206 HydrophobicContact CB-CZ3 4.44Å; L181-W206 HydrophobicContact CD2-CZ3 3.99Å; I198-W206 HydrophobicContact CG2-CB 4.44Å; I198-W206 HydrophobicContact CG2-CE3 3.74Å; I198-W206 HydrophobicContact CG2-CZ3 4.46Å; T199-W206 WeakPolarHBondContact O-CA 3.49Å; R200-W206 HydrophobicContact CB-CE3 3.71Å; R200-W206 HydrophobicContact CB-CH2 3.86Å; R200-W206 HydrophobicContact CB-CZ3 3.36Å; R200-W206 HydrophobicContact CG-CD2 4.33Å; R200-W206 HydrophobicContact CG-CE3 3.91Å; R200-W206 HydrophobicContact CG-CH2 3.49Å; R200-W206 VanDerWaalsContact CG-CH2 3.49Å; R200-W206 HydrophobicContact CG-CZ2 3.94Å; R200-W206 HydrophobicContact CG-CZ3 3.52Å
207D97.2Very high94.2Very high97 Ų9763.8 Ų63.852%0.51936%0.364SS..EExtended strand (participates in β ladder)trans-114.7131.7169.4-178.138.8000108.8I198 T199 T201I198-D207 CarbonylContact C-O 3.59Å; I198-D207 WeakPolarHBondContact CA-O 3.25Å; T199-D207 PolarHBondContact N-O 3.23Å; T199-D207 PolarHBondContact O-N 3.02Å; T201-D207 HydrophobicContact CG2-CB 4.06Å
208S96.3Very high93.7Very high64 Ų6467.3 Ų67.345%0.44839%0.388SS..EExtended strand (participates in β ladder)trans-126.2132.1-174.5-640000110.3Q197Q197-S208 CarbonylContact O-C 3.49Å; Q197-S208 WeakPolarHBondContact O-CA 3.45Å
209R96.6Very high93.1Very high173 Ų17368.3 Ų68.365%0.65339%0.394SS*.EExtended strand (participates in β ladder)trans-133.2127.6179.2178.4-178.6175-176-0.9110.3Q197Q197-R209 PolarHBondContact N-O 2.88Å; Q197-R209 PolarHBondContact O-N 3.23Å
210N96.1Very high92.4Very high104 Ų10470.5 Ų70.556%0.55641%0.407SS*.EExtended strand (participates in β ladder)trans-76.3133.5171.7-63.2-12.6000109.8T196T196-N210 PolarHBondContact OG1-OD1 3.1Å
211I93.9Very high91.5Very high44 Ų4474.1 Ų74.123%0.22642%0.424CS..EExtended strand (participates in β ladder)trans-97.2-60.3179.5-50.2172.3000109.3E71 A75 V188 L195 Q197E71-I211 HydrophobicContact CB-CG2 4.3Å; E71-I211 HydrophobicContact CG-CG2 4.49Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.31Å; A75-I211 HydrophobicContact CB-CD1 3.51Å; V188-I211 HydrophobicContact CG1-CD1 4.2Å; L195-I211 HydrophobicContact CD2-CD1 4.1Å; L195-I211 HydrophobicContact CG-CD1 4.16Å; L195-I211 WeakPolarHBondContact O-CB 3.19Å; L195-I211 PolarHBondContact O-N 3.38Å; Q197-I211 HydrophobicContact CB-CD1 4.1Å; Q197-I211 HydrophobicContact CB-CG1 4.22Å
212L93Very high90Very high42 Ų4275 Ų7522%0.2242%0.423CS..EExtended strand (participates in β ladder)trans-157.3161.2178.466.7141.2000112.6I68 E71 L195 V214I68-L212 HydrophobicContact CD1-CD1 3.73Å; E71-L212 HydrophobicContact CB-CD2 3.87Å; E71-L212 HydrophobicContact CG-CD2 3.86Å; L195-L212 HydrophobicContact CB-CD2 4.29Å; L195-L212 HydrophobicContact CB-CG 4.35Å; L195-L212 HydrophobicContact CD2-CD2 3.75Å; L195-L212 PolarHBondContact N-O 3.34Å; L212-V214 HydrophobicContact CD1-CG1 3.72Å; L212-V214 HydrophobicContact CG-CG1 3.84Å
213A91.8Very high88Confident70 Ų7080 Ų8058%0.57946%0.456SS*.EExtended strand (participates in β ladder)trans-73.1136.117100000111D193D193-A213 WeakPolarHBondContact O-CA 3.49Å
214V90.4Very high86.4Confident13 Ų1379.5 Ų79.58%0.07945%0.448CS..  trans-145.7161.6-171.5-69.50000111.3M1 I68 P190 D193 L195 L212 F216M1-V214 HydrophobicContact SD-CB 3.48Å; M1-V214 WeakPolarHBondContact SD-CB 3.24Å; M1-V214 HydrophobicContact SD-CG1 3.81Å; I68-V214 HydrophobicContact CD1-CG1 3.91Å; P190-V214 HydrophobicContact CB-CG2 3.88Å; D193-V214 CarbonylContact C-O 3.56Å; D193-V214 VanDerWaalsContact CA-O 3.32Å; D193-V214 WeakPolarHBondContact CA-O 3.2Å; D193-V214 WeakPolarHBondContact CB-O 3.39Å; D193-V214 PolarHBondContact O-N 3.08Å; D193-V214 VanDerWaalsContact O-O 3.05Å; L195-V214 HydrophobicContact CB-CG1 3.84Å; L195-V214 HydrophobicContact CB-CG2 3.94Å; L195-V214 VanDerWaalsContact N-CG2 3.32Å; L212-V214 HydrophobicContact CD1-CG1 3.72Å; L212-V214 HydrophobicContact CG-CG1 3.84Å; V214-F216 HydrophobicContact CB-CD2 3.83Å; V214-F216 HydrophobicContact CB-CE2 3.73Å; V214-F216 HydrophobicContact CG1-CE2 4.09Å; V214-F216 HydrophobicContact CG2-CD2 3.74Å; V214-F216 HydrophobicContact CG2-CE2 3.8Å
215S88.7Confident84.5Confident85 Ų8578.3 Ų78.359%0.59444%0.444SS*.  trans-132.2107.5173179.30000109.1M1M1-S215 WeakPolarHBondContact CE-O 3.28Å; M1-S215 WeakPolarHBondContact CG-O 3.25Å; M1-S215 PolarHBondContact SD-N 3.04Å; M1-S215 VanDerWaalsContact SD-O 3.33Å
216F88.1Confident81.8Confident22 Ų2284.8 Ų84.810%0.09647%0.469CS..  trans-112.5151.4179.3-80.9-100000110.5M1 I68 G166 P190 L195 V214M1-F216 HydrophobicContact CE-CD1 3.79Å; M1-F216 HydrophobicContact CE-CD2 3.37Å; M1-F216 HydrophobicContact CE-CE1 3.69Å; M1-F216 HydrophobicContact CE-CE2 3.25Å; M1-F216 HydrophobicContact CE-CG 3.66Å; M1-F216 HydrophobicContact CE-CZ 3.44Å; M1-F216 VanDerWaalsContact CE-CZ 3.44Å; M1-F216 HydrophobicContact SD-CD2 3.8Å; M1-F216 HydrophobicContact SD-CE2 3.64Å; M1-F216 HydrophobicContact SD-CZ 4.33Å; I68-F216 HydrophobicContact CG2-CE2 4.33Å; I68-F216 HydrophobicContact CG2-CZ 3.77Å; G166-F216 VanDerWaalsContact O-CD1 3.27Å; G166-F216 WeakPolarHBondContact O-CD1 3.47Å; P190-F216 HydrophobicContact CB-CB 4.31Å; P190-F216 HydrophobicContact CB-CD2 3.49Å; P190-F216 VanDerWaalsContact CB-CD2 3.49Å; P190-F216 HydrophobicContact CB-CE2 3.91Å; P190-F216 HydrophobicContact CB-CG 4.01Å; P190-F216 HydrophobicContact CG-CB 3.98Å; P190-F216 HydrophobicContact CG-CD1 4.11Å; P190-F216 HydrophobicContact CG-CD2 3.61Å; P190-F216 HydrophobicContact CG-CE1 4.45Å; P190-F216 HydrophobicContact CG-CE2 4Å; P190-F216 HydrophobicContact CG-CG 3.65Å; P190-F216 HydrophobicContact CG-CZ 4.38Å; L195-F216 HydrophobicContact CD1-CE2 4.38Å; V214-F216 HydrophobicContact CB-CD2 3.83Å; V214-F216 HydrophobicContact CB-CE2 3.73Å; V214-F216 HydrophobicContact CG1-CE2 4.09Å; V214-F216 HydrophobicContact CG2-CD2 3.74Å; V214-F216 HydrophobicContact CG2-CE2 3.8Å
217A86.9Confident79.7Confident70 Ų7085.1 Ų85.158%0.57950%0.495SS*.PPolyproline II helixtrans-62.6136.3166.500000109.1G168G168-A217 PolarHBondContact N-O 2.69Å
218P87.1Confident77.6Confident91 Ų9187.7 Ų87.759%0.59150%0.504SS*.BIsolated β-bridgetrans-65.9148.8-179.428.5-34.9000110.6V220P218-V220 PolarHBondContact O-N 2.92Å
219L86.5Confident75.7Confident22 Ų2293.9 Ų93.912%0.11552%0.523CS..PPolyproline II helixtrans-65.4127.9175.4-156.4154.8000109.5C150 L151 A167 G168 V169 M177 Q221C150-L219 HydrophobicContact CB-CD1 4.3Å; L151-L219 HydrophobicContact CD1-CD2 3.57Å; L151-L219 HydrophobicContact CD2-CD2 4.23Å; L151-L219 HydrophobicContact CG-CD2 3.52Å; A167-L219 HydrophobicContact CB-CB 4.13Å; A167-L219 HydrophobicContact CB-CD1 4.48Å; A167-L219 HydrophobicContact CB-CG 4.28Å; G168-L219 WeakPolarHBondContact O-CB 3.18Å; G168-L219 PolarHBondContact O-N 3.15Å; V169-L219 HydrophobicContact CG2-CD1 4.38Å; M177-L219 HydrophobicContact CE-CD1 3.67Å; L219-Q221 PolarHBondContact O-N 2.64Å
220V83.6Confident73.9Confident80 Ų8088.2 Ų88.249%0.48551%0.508SS..PPolyproline II helixtrans-71.5116.5-175.1-178.80000110.1L113 N149 P218L113-V220 HydrophobicContact CD2-CB 3.86Å; L113-V220 HydrophobicContact CD2-CG1 4.17Å; L113-V220 HydrophobicContact CD2-CG2 4.03Å; N149-V220 PolarHBondContact ND2-O 2.71Å; P218-V220 PolarHBondContact O-N 2.92Å
221Q77.6Confident72.6Confident94 Ų9490.3 Ų90.344%0.43952%0.519SS..PPolyproline II helixtrans-82.3128166.1-62.3179.46.600108.3L151 H173 L219 S223L151-Q221 HydrophobicContact CD1-CG 4.22Å; H173-Q221 PolarHBondContact CE1-NE2 2.79Å; L219-Q221 PolarHBondContact O-N 2.64Å; Q221-S223 PolarHBondContact O-N 3.27Å
222Q66.4Low72.3Confident100 Ų10091.5 Ų91.547%0.46753%0.529SS..PPolyproline II helixtrans-72.3117.4170.9-75.7179.5-0.900109.2E152 R224E152-Q222 PolarHBondContact OE2-OE1 3.42Å; Q222-R224 PolarHBondContact O-N 2.88Å
223S52.6Low72.1Confident121 Ų12190 Ų9085%0.84652%0.521SS*.  trans-70.8109.4168.7600000108.5Q221Q221-S223 PolarHBondContact O-N 3.27Å
224R58.6Low72.1Confident134 Ų13492.2 Ų92.251%0.50652%0.52SS..  trans-84.3138.7179.6-68.3-171.1-174.8153.310.9111.2E152 Q222 P230E152-R224 IonicContact OE1-CZ 3.69Å; E152-R224 IonicContact OE1-NE 3.07Å; E152-R224 IonicContact OE1-NH2 2.7Å; E152-R224 PolarHBondContact OE1-NH2 3.11Å; Q222-R224 PolarHBondContact O-N 2.88Å; R224-P230 VanDerWaalsContact NH2-CG 3.35Å
225A51.3Low72.2Confident73 Ų7392.4 Ų92.460%0.60352%0.52SS*.  trans-72.2140.9152.200000108.3G227A225-G227 PolarHBondContact O-N 3.26Å; A225-G227 VanDerWaalsContact O-N 3.09Å
226E38.1Very low72.4Confident209 Ų20990.2 Ų90.298%0.97750%0.504SS*.THydrogen-bonded Turntrans-56.2115-179.8-70.1-179.1161.700111
227G52.2Low72.4Confident79 Ų7993.7 Ų93.781%0.81453%0.529SS*.THydrogen-bonded Turntrans128.2-13.3166.700000117.4A225A225-G227 PolarHBondContact O-N 3.26Å; A225-G227 VanDerWaalsContact O-N 3.09Å
228E54.3Low72.5Confident152 Ų15293.9 Ų93.971%0.7152%0.523SS*.PPolyproline II helixtrans-84127.9176.1-73.6-179.9170.600111.3
229K56.4Low72.4Confident193 Ų19394.7 Ų94.784%0.83953%0.526SS*.PPolyproline II helixtrans-67.7140.6170.9-74.7-177.2178.6178.70108.5D231K229-D231 PolarHBondContact O-N 3.45Å
230P58.8Low72.3Confident54 Ų54100.3 Ų100.335%0.35156%0.561SS.*PPolyproline II helixtrans-53.4126.9169.80.4-2.4000109.8R224 T232R224-P230 VanDerWaalsContact NH2-CG 3.35Å; P230-T232 VanDerWaalsContact C-N 3.28Å; P230-T232 PolarHBondContact O-N 3.27Å; P230-T232 PolarHBondContact O-OG1 3.37Å
231D69.5Low72.6Confident148 Ų148100.4 Ų100.479%0.79155%0.553SS**  trans-65.899.4159.2-93-18.2000106.9K229 V233K229-D231 PolarHBondContact O-N 3.45Å; D231-V233 PolarHBondContact O-N 2.94Å
232T85.9Confident73.4Confident69 Ų6998.4 Ų98.442%0.42355%0.549SS..  trans-69123.3-177.2-540000108.6E152 S154 P230 Q234E152-T232 CarbonylContact O-C 3.58Å; E152-T232 WeakPolarHBondContact O-CA 3.38Å; S154-T232 VanDerWaalsContact CB-CG2 3.45Å; P230-T232 VanDerWaalsContact C-N 3.28Å; P230-T232 PolarHBondContact O-N 3.27Å; P230-T232 PolarHBondContact O-OG1 3.37Å; T232-Q234 PolarHBondContact O-N 3.38Å
233V90.6Very high74.8Confident10 Ų10100.1 Ų100.16%0.06156%0.561CS.*BIsolated β-bridgetrans-71.6113.6178.1-176.50000108.6V111 V146 N149 E152 I153 S154 D231V111-V233 HydrophobicContact CG1-CG1 4.34Å; V146-V233 HydrophobicContact CG1-CG1 3.7Å; N149-V233 WeakPolarHBondContact O-CG2 3.33Å; E152-V233 HydrophobicContact CB-CG2 4.35Å; E152-V233 PolarHBondContact O-N 2.97Å; I153-V233 HydrophobicContact CG1-CB 4.35Å; S154-V233 PolarHBondContact N-O 3.37Å; D231-V233 PolarHBondContact O-N 2.94Å
234Q91.2Very high76.8Confident118 Ų11899.8 Ų99.855%0.55155%0.546SS*.PPolyproline II helixtrans-92.6120.5175-61.4-61.5-23.800109.3T232T232-Q234 PolarHBondContact O-N 3.38Å
235L92.6Very high78.4Confident17 Ų1795.3 Ų95.39%0.08953%0.532CS..PPolyproline II helixtrans-79.7151.3175-63.6177000110.4L85 V111 V146 I153 Y160L85-L235 HydrophobicContact CD1-CD1 4.09Å; L85-L235 HydrophobicContact CD1-CD2 4.43Å; V111-L235 HydrophobicContact CG2-CD2 3.52Å; V146-L235 HydrophobicContact CG2-CD2 4.49Å; I153-L235 HydrophobicContact CG2-CD1 3.84Å; I153-L235 HydrophobicContact CG2-CG 4.14Å; Y160-L235 HydrophobicContact CE2-CD1 3.96Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.38Å
236P92.1Very high80.5Confident38 Ų3894.4 Ų94.425%0.24752%0.517CS..PPolyproline II helixtrans-57.7143.3178.4-23.235.8000110.8H109 A144 V146H109-P236 PolarHBondContact CE1-O 3.32Å; A144-P236 HydrophobicContact CB-CB 4.49Å; A144-P236 HydrophobicContact CB-CG 3.87Å; V146-P236 HydrophobicContact CG2-CG 3.96Å
237P89.2Confident83.3Confident95 Ų9586.9 Ų86.962%0.61749%0.487SS*.PPolyproline II helixtrans-66.614117827.3-33.7000110.6T239P237-T239 HydrophobicContact CB-CG2 4.27Å; P237-T239 HydrophobicContact CG-CG2 4.13Å; P237-T239 PolarHBondContact O-N 3.22Å; P237-T239 VanDerWaalsContact O-N 3.09Å
238V87.9Confident85.3Confident75 Ų7584.4 Ų84.446%0.45545%0.453SS..  trans-74.8101.8171.7-178.20000107.8V107V107-V238 HydrophobicContact CG1-CG2 4.06Å; V107-V238 HydrophobicContact CG2-CG1 3.7Å; V107-V238 HydrophobicContact CG2-CG2 4.01Å
239T84.3Confident87.3Confident108 Ų10877.6 Ų77.666%0.66342%0.421SS*.PPolyproline II helixtrans-102.4147.4-177.454.90000111.5P237P237-T239 HydrophobicContact CB-CG2 4.27Å; P237-T239 HydrophobicContact CG-CG2 4.13Å; P237-T239 PolarHBondContact O-N 3.22Å; P237-T239 VanDerWaalsContact O-N 3.09Å
240V85.8Confident89.1Confident140 Ų14075.9 Ų75.985%0.84841%0.411SS*.PPolyproline II helixtrans-73.1131.3171.4-1760000108.2
241R90.2Very high90.9Very high82 Ų8276.3 Ų76.331%0.30941%0.41SS..PPolyproline II helixtrans-61.5147.8177-68.5-174.7179.8-94.40.3111.1P104 D245 L246P104-R241 PolarHBondContact O-NE 3.18Å; P104-R241 PolarHBondContact O-NH2 2.91Å; R241-D245 HydrophobicContact CB-CB 4.38Å; R241-L246 HydrophobicContact CB-CD2 4.03Å; R241-L246 HydrophobicContact CB-CG 4.03Å
242S93.9Very high92.1Very high51 Ų5169.6 Ų69.636%0.35737%0.373SS..PPolyproline II helixtrans-63152.8174.474.80000111Q244 D245 L246S242-Q244 PolarHBondContact O-N 3.32Å; S242-D245 PolarHBondContact O-N 3.28Å; S242-D245 VanDerWaalsContact O-N 3.12Å; S242-D245 WeakPolarHBondContact OG-CB 3.3Å; S242-D245 PolarHBondContact OG-N 2.9Å; S242-D245 PolarHBondContact OG-OD2 3.04Å; S242-L246 WeakPolarHBondContact O-CG 3.21Å; S242-L246 PolarHBondContact O-N 3.01Å
243L95.2Very high92.5Very high137 Ų13771.7 Ų71.772%0.71737%0.373SS*.Hα-helixtrans-57.5-33.3173.3-178.661.8000111.5S247L243-S247 WeakPolarHBondContact O-CB 3.42Å; L243-S247 PolarHBondContact O-N 3.25Å; L243-S247 PolarHBondContact O-OG 2.94Å
244Q94.6Very high92.7Very high114 Ų11473.8 Ų73.853%0.53339%0.386SS..Hα-helixtrans-62.8-46.9176.6-165.7-172.6-7.400111.3S242 S247 R248 Y354S242-Q244 PolarHBondContact O-N 3.32Å; Q244-S247 WeakPolarHBondContact O-CB 3.29Å; Q244-S247 PolarHBondContact O-N 2.88Å; Q244-R248 PolarHBondContact O-N 2.95Å; Q244-Y354 VanDerWaalsContact C-OH 3.23Å; Q244-Y354 HydrophobicContact CG-CE1 3.69Å; Q244-Y354 PolarHBondContact O-OH 3.28Å
245D93.6Very high92.8Very high40 Ų4069.1 Ų69.121%0.21437%0.365CS..Hα-helixtrans-66.4-42.9177.8-68.4-47.1000112.2R241 S242 S247 R248 I249 Y354R241-D245 HydrophobicContact CB-CB 4.38Å; S242-D245 PolarHBondContact O-N 3.28Å; S242-D245 VanDerWaalsContact O-N 3.12Å; S242-D245 WeakPolarHBondContact OG-CB 3.3Å; S242-D245 PolarHBondContact OG-N 2.9Å; S242-D245 PolarHBondContact OG-OD2 3.04Å; D245-S247 VanDerWaalsContact C-N 3.27Å; D245-S247 PolarHBondContact O-N 3.21Å; D245-R248 PolarHBondContact O-N 3.47Å; D245-R248 IonicContact OD1-CZ 3.14Å; D245-R248 IonicContact OD1-NE 2.9Å; D245-R248 IonicContact OD1-NH2 2.83Å; D245-R248 PolarHBondContact OD1-NH2 2.75Å; D245-I249 WeakPolarHBondContact O-CD1 3.16Å; D245-I249 WeakPolarHBondContact O-CG1 3.1Å; D245-I249 PolarHBondContact O-N 3.06Å; D245-Y354 VanDerWaalsContact CA-OH 3.25Å; D245-Y354 WeakPolarHBondContact CA-OH 3.41Å; D245-Y354 PolarHBondContact N-OH 2.67Å; D245-Y354 PolarHBondContact OD1-OH 3.04Å
246L94.9Very high92.8Very high54 Ų5469.7 Ų69.728%0.28337%0.366SS..Hα-helixtrans-59.2-41174.7-68.7174.8000111.2Y105 R241 S242 I249 Y250Y105-L246 HydrophobicContact CE1-CD2 3.75Å; R241-L246 HydrophobicContact CB-CD2 4.03Å; R241-L246 HydrophobicContact CB-CG 4.03Å; S242-L246 WeakPolarHBondContact O-CG 3.21Å; S242-L246 PolarHBondContact O-N 3.01Å; L246-I249 PolarHBondContact O-N 2.83Å; L246-Y250 WeakPolarHBondContact O-CB 3.38Å; L246-Y250 PolarHBondContact O-N 3.12Å
247S95.5Very high92.7Very high51 Ų5171.4 Ų71.436%0.35737%0.373SS..Hα-helixtrans-63.6-44.6176.3-590000111.6L243 Q244 D245 I249 Y250 I251L243-S247 WeakPolarHBondContact O-CB 3.42Å; L243-S247 PolarHBondContact O-N 3.25Å; L243-S247 PolarHBondContact O-OG 2.94Å; Q244-S247 WeakPolarHBondContact O-CB 3.29Å; Q244-S247 PolarHBondContact O-N 2.88Å; D245-S247 VanDerWaalsContact C-N 3.27Å; D245-S247 PolarHBondContact O-N 3.21Å; S247-I249 PolarHBondContact O-N 3.39Å; S247-Y250 PolarHBondContact O-N 2.93Å; S247-I251 WeakPolarHBondContact O-CB 3.5Å; S247-I251 WeakPolarHBondContact O-CD1 3.3Å; S247-I251 VanDerWaalsContact O-CG1 3.23Å; S247-I251 WeakPolarHBondContact O-CG1 3.42Å; S247-I251 PolarHBondContact O-N 2.81Å
248R95.5Very high92.7Very high27 Ų2770.8 Ų70.810%0.10236%0.364CS..Hα-helixtrans-59.8-46.1175.2169.3174.161.6159.4-0.7112.3Q244 D245 Y250 R252 Y354 L355 Y357Q244-R248 PolarHBondContact O-N 2.95Å; D245-R248 PolarHBondContact O-N 3.47Å; D245-R248 IonicContact OD1-CZ 3.14Å; D245-R248 IonicContact OD1-NE 2.9Å; D245-R248 IonicContact OD1-NH2 2.83Å; D245-R248 PolarHBondContact OD1-NH2 2.75Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-R252 WeakPolarHBondContact O-CB 3.37Å; R248-R252 VanDerWaalsContact O-CG 3.29Å; R248-R252 WeakPolarHBondContact O-CG 3.44Å; R248-R252 PolarHBondContact O-N 3.22Å; R248-Y354 HydrophobicContact CB-CD1 4.29Å; R248-Y354 HydrophobicContact CB-CE1 3.58Å; R248-Y354 WeakPolarHBondContact CD-O 3.41Å; R248-Y354 HydrophobicContact CG-CE1 4.21Å; R248-Y354 PolarHBondContact NE-OH 3.42Å; R248-L355 HydrophobicContact CB-CD2 4.22Å; R248-L355 HydrophobicContact CG-CD2 4.14Å; R248-Y357 HydrophobicContact CG-CE2 4.44Å
249I94.9Very high92.6Very high8 Ų867.5 Ų67.54%0.04134%0.344CS..Hα-helixtrans-58.9-48.9176.9-70157.9000109.8P104 D245 L246 S247 R252 R253P104-I249 HydrophobicContact CB-CD1 3.64Å; P104-I249 HydrophobicContact CB-CG1 4.17Å; P104-I249 HydrophobicContact CB-CG2 4.29Å; P104-I249 HydrophobicContact CG-CD1 4.31Å; P104-I249 HydrophobicContact CG-CG2 3.75Å; D245-I249 WeakPolarHBondContact O-CD1 3.16Å; D245-I249 WeakPolarHBondContact O-CG1 3.1Å; D245-I249 PolarHBondContact O-N 3.06Å; L246-I249 PolarHBondContact O-N 2.83Å; S247-I249 PolarHBondContact O-N 3.39Å; I249-R252 PolarHBondContact O-N 3.39Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 PolarHBondContact O-N 3.13Å
250Y95.6Very high92.5Very high158 Ų15866.7 Ų66.762%0.6234%0.336SS*.Hα-helixtrans-62.7-47.5-178.4-172.7-96.9000112.4L246 S247 R248 R252 R253 T254L246-Y250 WeakPolarHBondContact O-CB 3.38Å; L246-Y250 PolarHBondContact O-N 3.12Å; S247-Y250 PolarHBondContact O-N 2.93Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; Y250-R252 PolarHBondContact O-N 3.3Å; Y250-R253 PolarHBondContact O-N 2.75Å; Y250-T254 PolarHBondContact O-N 2.81Å; Y250-T254 PolarHBondContact O-OG1 3.1Å
251I95.4Very high92.2Very high63 Ų6366.3 Ų66.332%0.32333%0.325SS..Hα-helixtrans-58.9-51178-68.9163.9000110.4S247 R253 T254 L255 L355S247-I251 WeakPolarHBondContact O-CB 3.5Å; S247-I251 WeakPolarHBondContact O-CD1 3.3Å; S247-I251 VanDerWaalsContact O-CG1 3.23Å; S247-I251 WeakPolarHBondContact O-CG1 3.42Å; S247-I251 PolarHBondContact O-N 2.81Å; I251-R253 VanDerWaalsContact C-N 3.32Å; I251-R253 PolarHBondContact O-N 3.27Å; I251-T254 PolarHBondContact O-N 2.73Å; I251-L255 HydrophobicContact CG2-CD1 4.04Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.2Å; I251-L355 HydrophobicContact CB-CD2 4.04Å; I251-L355 HydrophobicContact CD1-CD2 4.09Å; I251-L355 HydrophobicContact CG2-CD1 4.07Å; I251-L355 HydrophobicContact CG2-CD2 3.89Å
252R95.2Very high91.3Very high6 Ų667.4 Ų67.42%0.02334%0.337CS..Hα-helixtrans-60.6-41179.5-71.7171.662.182.80.2112.2D136 R248 I249 Y250 L255 R256 I342 L355D136-R252 IonicContact OD1-CZ 3.07Å; D136-R252 IonicContact OD1-NH1 3.63Å; D136-R252 PolarHBondContact OD1-NH1 3.16Å; D136-R252 VanDerWaalsContact OD1-NH1 3.15Å; D136-R252 IonicContact OD1-NH2 2.67Å; D136-R252 PolarHBondContact OD1-NH2 3.4Å; R248-R252 WeakPolarHBondContact O-CB 3.37Å; R248-R252 VanDerWaalsContact O-CG 3.29Å; R248-R252 WeakPolarHBondContact O-CG 3.44Å; R248-R252 PolarHBondContact O-N 3.22Å; I249-R252 PolarHBondContact O-N 3.39Å; Y250-R252 PolarHBondContact O-N 3.3Å; R252-L255 PolarHBondContact O-N 2.68Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 3.43Å; R252-I342 HydrophobicContact CG-CD1 4.44Å; R252-L355 WeakPolarHBondContact CD-O 3.22Å; R252-L355 PolarHBondContact NH1-O 3.26Å
253R94.6Very high90.1Very high114 Ų11467.4 Ų67.443%0.4334%0.337SS..Hα-helixtrans-61.9-45.2175.6179.8179.5174.3177.8-5.2111.6E139 I249 Y250 I251 R256 N257E139-R253 WeakPolarHBondContact OE1-CD 3.49Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 PolarHBondContact O-N 3.13Å; Y250-R253 PolarHBondContact O-N 2.75Å; I251-R253 VanDerWaalsContact C-N 3.32Å; I251-R253 PolarHBondContact O-N 3.27Å; R253-R256 PolarHBondContact O-N 3.23Å; R253-N257 VanDerWaalsContact O-CG 3.23Å; R253-N257 PolarHBondContact O-N 3.44Å; R253-N257 PolarHBondContact O-ND2 3.25Å
254T94.8Very high88.4Confident54 Ų5468.8 Ų68.833%0.33134%0.34SS..Hα-helixtrans-61.6-46.3178.4-61.40000111.2Y250 I251 R256 N257 L258Y250-T254 PolarHBondContact O-N 2.81Å; Y250-T254 PolarHBondContact O-OG1 3.1Å; I251-T254 PolarHBondContact O-N 2.73Å; T254-R256 PolarHBondContact O-N 3.08Å; T254-N257 PolarHBondContact O-N 3.13Å; T254-L258 HydrophobicContact CG2-CD1 4.35Å; T254-L258 WeakPolarHBondContact O-CG 3.21Å; T254-L258 PolarHBondContact O-N 3.05Å; T254-L258 VanDerWaalsContact O-N 3.08Å
255L93.6Very high86.4Confident19 Ų1966.7 Ų66.710%0.09935%0.349CS..Hα-helixtrans-60.2-46.3177.2-68.1176.6000112.1I251 R252 N257 L258 A259 L338 Q341 I342 L345I251-L255 HydrophobicContact CG2-CD1 4.04Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.2Å; R252-L255 PolarHBondContact O-N 2.68Å; L255-N257 VanDerWaalsContact C-N 3.32Å; L255-N257 PolarHBondContact O-N 3.43Å; L255-L258 WeakPolarHBondContact O-CB 3.32Å; L255-L258 PolarHBondContact O-N 2.93Å; L255-L258 VanDerWaalsContact O-N 3.15Å; L255-A259 PolarHBondContact O-N 3.17Å; L255-L338 HydrophobicContact CB-CD1 3.54Å; L255-L338 HydrophobicContact CD1-CD1 4.12Å; L255-Q341 HydrophobicContact CD2-CB 4.47Å; L255-Q341 PolarHBondContact O-OE1 3.22Å; L255-Q341 VanDerWaalsContact O-OE1 3.1Å; L255-I342 HydrophobicContact CD1-CD1 4.49Å; L255-I342 HydrophobicContact CD1-CG1 3.56Å; L255-L345 HydrophobicContact CD1-CD1 4.2Å
256R91.9Very high84.3Confident29 Ų2972.7 Ų72.711%0.10937%0.373CS..Hα-helixtrans-57.2-43.2174-80-170-75.3-132.99.4113.4D136 F138 R252 R253 T254 L258 A259 N260 L338D136-R256 VanDerWaalsContact O-CD 3.31Å; D136-R256 WeakPolarHBondContact O-CD 3.44Å; D136-R256 PolarHBondContact O-NH1 3.34Å; F138-R256 PolarHBondContact O-NH1 3.12Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 3.43Å; R253-R256 PolarHBondContact O-N 3.23Å; T254-R256 PolarHBondContact O-N 3.08Å; R256-L258 VanDerWaalsContact C-N 3.28Å; R256-L258 PolarHBondContact O-N 3.21Å; R256-A259 PolarHBondContact O-N 3.5Å; R256-N260 WeakPolarHBondContact O-CB 3.48Å; R256-N260 VanDerWaalsContact O-CG 3.26Å; R256-N260 PolarHBondContact O-N 2.85Å; R256-N260 PolarHBondContact O-ND2 3.06Å; R256-L338 HydrophobicContact CG-CD1 4.15Å; R256-L338 HydrophobicContact CG-CD2 4.12Å
257N90.8Very high81.6Confident74 Ų7473.2 Ų73.240%0.39639%0.391SS..Hα-helixtrans-64-37.2179.7-70.6-16.3000111.5R253 T254 L255 Q261R253-N257 VanDerWaalsContact O-CG 3.23Å; R253-N257 PolarHBondContact O-N 3.44Å; R253-N257 PolarHBondContact O-ND2 3.25Å; T254-N257 PolarHBondContact O-N 3.13Å; L255-N257 VanDerWaalsContact C-N 3.32Å; L255-N257 PolarHBondContact O-N 3.43Å; N257-Q261 VanDerWaalsContact O-CG 3.29Å; N257-Q261 WeakPolarHBondContact O-CG 3.17Å; N257-Q261 PolarHBondContact O-N 3.07Å; N257-Q261 VanDerWaalsContact O-N 3.13Å
258L89.4Confident78.7Confident82 Ų8277.1 Ų77.143%0.42941%0.413SS..Hα-helixtrans-66.2-47.5174.8-66.6169.7000111.1T254 L255 R256 N260 Q261 D262T254-L258 HydrophobicContact CG2-CD1 4.35Å; T254-L258 WeakPolarHBondContact O-CG 3.21Å; T254-L258 PolarHBondContact O-N 3.05Å; T254-L258 VanDerWaalsContact O-N 3.08Å; L255-L258 WeakPolarHBondContact O-CB 3.32Å; L255-L258 PolarHBondContact O-N 2.93Å; L255-L258 VanDerWaalsContact O-N 3.15Å; R256-L258 VanDerWaalsContact C-N 3.28Å; R256-L258 PolarHBondContact O-N 3.21Å; L258-N260 VanDerWaalsContact C-N 3.31Å; L258-N260 PolarHBondContact O-N 2.92Å; L258-Q261 PolarHBondContact O-N 3.46Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; L258-D262 PolarHBondContact O-N 3.34Å
259A85.6Confident75.8Confident6 Ų682.5 Ų82.55%0.0545%0.449CS..Hα-helixtrans-56-44.8176.100000112.3L255 R256 Q261 D262 S263L255-A259 PolarHBondContact O-N 3.17Å; R256-A259 PolarHBondContact O-N 3.5Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å; A259-D262 PolarHBondContact O-N 3.14Å; A259-S263 WeakPolarHBondContact O-CB 3.4Å; A259-S263 PolarHBondContact O-N 3.4Å; A259-S263 PolarHBondContact O-OG 3.21Å
260N81.8Confident72.8Confident92 Ų9290.2 Ų90.249%0.49249%0.485SS..Hα-helixtrans-66.2-34.2178.9-71.6-20.8000112.8R256 L258 Q264R256-N260 WeakPolarHBondContact O-CB 3.48Å; R256-N260 VanDerWaalsContact O-CG 3.26Å; R256-N260 PolarHBondContact O-N 2.85Å; R256-N260 PolarHBondContact O-ND2 3.06Å; L258-N260 VanDerWaalsContact C-N 3.31Å; L258-N260 PolarHBondContact O-N 2.92Å; N260-Q264 WeakPolarHBondContact O-CG 3.48Å; N260-Q264 PolarHBondContact O-N 2.68Å
261Q79Confident70.1Confident131 Ų13191.8 Ų91.861%0.61249%0.489SS*.Hα-helixtrans-67.8-43.3175.6-75.5173.711.400111.5N257 L258 A259 S263 Q264 G265N257-Q261 VanDerWaalsContact O-CG 3.29Å; N257-Q261 WeakPolarHBondContact O-CG 3.17Å; N257-Q261 PolarHBondContact O-N 3.07Å; N257-Q261 VanDerWaalsContact O-N 3.13Å; L258-Q261 PolarHBondContact O-N 3.46Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å; Q261-S263 VanDerWaalsContact C-N 3.29Å; Q261-S263 PolarHBondContact O-N 2.9Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q261-G265 PolarHBondContact O-N 3.35Å
262D72.3Confident67Low105 Ų10594.8 Ų94.856%0.56151%0.51SS*.Hα-helixtrans-63.7-36.7177.7-69.6-23.7000112L258 A259 G265L258-D262 PolarHBondContact O-N 3.34Å; A259-D262 PolarHBondContact O-N 3.14Å; D262-G265 PolarHBondContact O-N 3.12Å
263S67.9Low64Low51 Ų5199.6 Ų99.636%0.35754%0.543SS..Hα-helixtrans-73.9-31.9177.4-69.60000113.3A259 Q261 G265 K266A259-S263 WeakPolarHBondContact O-CB 3.4Å; A259-S263 PolarHBondContact O-N 3.4Å; A259-S263 PolarHBondContact O-OG 3.21Å; Q261-S263 VanDerWaalsContact C-N 3.29Å; Q261-S263 PolarHBondContact O-N 2.9Å; S263-G265 VanDerWaalsContact C-N 3.25Å; S263-G265 PolarHBondContact O-N 3.16Å; S263-K266 CarbonylContact O-C 3.56Å; S263-K266 PolarHBondContact O-N 3.3Å; S263-K266 VanDerWaalsContact O-N 3.16Å
264Q58.7Low61.3Low166 Ų166102.4 Ų102.478%0.77656%0.56SS**Hα-helixtrans-69.5-22.4173.4-75.7-178.16.300113.3N260 Q261 K266N260-Q264 WeakPolarHBondContact O-CG 3.48Å; N260-Q264 PolarHBondContact O-N 2.68Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q264-K266 VanDerWaalsContact C-N 3.32Å
265G53.4Low58.3Low70 Ų70109.4 Ų109.472%0.72259%0.586SS**THydrogen-bonded Turntrans-75.3-18.1171.200000114.1Q261 D262 S263Q261-G265 PolarHBondContact O-N 3.35Å; D262-G265 PolarHBondContact O-N 3.12Å; S263-G265 VanDerWaalsContact C-N 3.25Å; S263-G265 PolarHBondContact O-N 3.16Å
266K49.5Very low55.8Low167 Ų167115 Ų11573%0.72661%0.606SS**SBendtrans-110.490.5177.7-64.4174.8-176172.30107.7S263 Q264S263-K266 CarbonylContact O-C 3.56Å; S263-K266 PolarHBondContact O-N 3.3Å; S263-K266 VanDerWaalsContact O-N 3.16Å; Q264-K266 VanDerWaalsContact C-N 3.32Å
267G38.3Very low53.2Low64 Ų64120.9 Ų120.966%0.6663%0.632SS**  trans-27.9131.7-170.300000116.3V269G267-V269 PolarHBondContact O-N 2.97Å; G267-V269 VanDerWaalsContact O-N 3.17Å
268T33.6Very low50.5Low134 Ų134128.8 Ų128.882%0.82266%0.657SS**  trans-51.9117.1-176.4-10.80000111.4Q270T268-Q270 PolarHBondContact O-N 3.17Å
269V35.9Very low48.2Very low140 Ų140136.8 Ų136.885%0.84868%0.681SS**  trans-68.199.2164.1-178.20000106.4G267 R271G267-V269 PolarHBondContact O-N 2.97Å; G267-V269 VanDerWaalsContact O-N 3.17Å; V269-R271 PolarHBondContact O-N 2.97Å
270Q31.5Very low45.6Very low170 Ų170148.1 Ų148.179%0.79472%0.723SS**PPolyproline II helixtrans-58.2119.2165.9-76.7178.7-5.100107.1T268 V272T268-Q270 PolarHBondContact O-N 3.17Å; Q270-V272 PolarHBondContact O-N 2.65Å
271R38.3Very low43.2Very low190 Ų190149.7 Ų149.772%0.71774%0.739SS**PPolyproline II helixtrans-53.1117.8163.4-89.9-176.8168.6-173.9-5.8106.3D12 V269D12-R271 IonicContact OD2-NH1 3.39Å; D12-R271 PolarHBondContact OD2-NH1 2.83Å; V269-R271 PolarHBondContact O-N 2.97Å
272V30.8Very low41Very low126 Ų126154.9 Ų154.976%0.76475%0.753SS**PPolyproline II helixtrans-60.1126.6173.2-176.50000106.2Q270 H274Q270-V272 PolarHBondContact O-N 2.65Å; V272-H274 PolarHBondContact O-N 2.91Å
273P31.7Very low39.1Very low108 Ų108161.6 Ų161.670%0.70177%0.771SS**PPolyproline II helixtrans-56.3127.1175.7-17.828.2000108.3K275P273-K275 PolarHBondContact O-N 3.23Å
274H38.7Very low37.6Very low173 Ų173170.2 Ų170.280%0.80180%0.795SS**  trans-54.8114.8166.1-80.4-80.5000106.8V272 R276V272-H274 PolarHBondContact O-N 2.91Å; H274-R276 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 3.23Å
275K32.6Very low36.4Very low201 Ų201171.3 Ų171.387%0.87479%0.792SS**  trans-62.6100.1174-79.9-177.8178.5175.10106.5P273 K277P273-K275 PolarHBondContact O-N 3.23Å; K275-K277 PolarHBondContact O-N 2.93Å
276R39.7Very low35.7Very low137 Ų137175 Ų17552%0.51779%0.794SS.*  trans-51.8108.8170.5-77178.3168174.1-6.4108.6N17 E20 H274 R278N17-R276 PolarHBondContact OD1-NH2 3.4Å; E20-R276 VanDerWaalsContact CD-NH2 3.31Å; E20-R276 IonicContact OE1-CZ 2.63Å; E20-R276 VanDerWaalsContact OE1-CZ 3.27Å; E20-R276 IonicContact OE1-NH1 3.98Å; E20-R276 PolarHBondContact OE1-NH1 2.79Å; E20-R276 IonicContact OE1-NH2 2.92Å; E20-R276 PolarHBondContact OE1-NH2 3.08Å; E20-R276 IonicContact OE2-CZ 3.71Å; E20-R276 IonicContact OE2-NH1 3.24Å; E20-R276 PolarHBondContact OE2-NH1 2.84Å; E20-R276 IonicContact OE2-NH2 3.15Å; E20-R276 PolarHBondContact OE2-NH2 3.34Å; H274-R276 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 3.23Å; R276-R278 VanDerWaalsContact C-N 3.35Å; R276-R278 PolarHBondContact O-N 3.06Å
277K37.7Very low35Very low152 Ų152172.3 Ų172.366%0.66179%0.788SS**  trans-64100.8163.7-81.1-172.1178.1-176.60105.7K275 R279 E322K275-K277 PolarHBondContact O-N 2.93Å; K277-R279 PolarHBondContact O-N 3.47Å; K277-E322 IonicContact NZ-OE2 2.88Å; K277-E322 PolarHBondContact NZ-OE2 3.29Å
278R35Very low34.9Very low240 Ų240174.7 Ų174.791%0.90679%0.789SS**  trans-55.5104.5174-96.7178.4152.6-179-4.7108.1R276 R280R276-R278 VanDerWaalsContact C-N 3.35Å; R276-R278 PolarHBondContact O-N 3.06Å; R278-R280 PolarHBondContact O-N 2.89Å
279R39.8Very low35.5Very low250 Ų250174.3 Ų174.394%0.94377%0.774SS**  trans-62.2103.2165.7-90.9-177.9154.7176.8-3.5108.5K277 C281K277-R279 PolarHBondContact O-N 3.47Å; R279-C281 PolarHBondContact O-N 3.3Å
280R32.2Very low35.6Very low244 Ų244171.9 Ų171.992%0.92176%0.759SS**  trans-63.2118.1170.2-114.6176.9170.5-178.8-2.9107.6R278 R282R278-R280 PolarHBondContact O-N 2.89Å; R280-R282 PolarHBondContact O-N 2.78Å; R280-R282 VanDerWaalsContact O-N 3.11Å
281C31.8Very low35.9Very low124 Ų124170.5 Ų170.584%0.83875%0.751SS**  trans-53.4117.1172.3-75.60000109.9R279 R283R279-C281 PolarHBondContact O-N 3.3Å; C281-R283 PolarHBondContact O-N 2.61Å
282R32.3Very low36Very low241 Ų241167.1 Ų167.191%0.90975%0.751SS**  trans-54107.3164.4-85.5-179.2164.7179.4-4.7108.4R280 R284R280-R282 PolarHBondContact O-N 2.78Å; R280-R282 VanDerWaalsContact O-N 3.11Å; R282-R284 PolarHBondContact O-N 2.66Å
283R32.7Very low37.2Very low245 Ų245163.8 Ų163.893%0.92574%0.742SS**  trans-62.8107.6166.7-90.2-177.9171178.2-2.4107.1C281 R285C281-R283 PolarHBondContact O-N 2.61Å; R283-R285 PolarHBondContact O-N 3.19Å
284R36Very low37.8Very low232 Ų232167 Ų16788%0.87575%0.753SS**  trans-58.9127.4167.8-75.5-178.9174178.5-2108.1R282 I286R282-R284 PolarHBondContact O-N 2.66Å; R284-I286 PolarHBondContact O-N 3.49Å; R284-I286 VanDerWaalsContact O-N 3.15Å
285R34Very low37.7Very low190 Ų190166 Ų16672%0.71775%0.749SS**  trans-52.6116.8172.3-80.3-177.2173.7174-2.1108.9R283 E305R283-R285 PolarHBondContact O-N 3.19Å; R285-E305 IonicContact CZ-OE1 3.67Å; R285-E305 IonicContact NH2-OE1 3.27Å; R285-E305 PolarHBondContact NH2-OE1 3.28Å; R285-E305 IonicContact NH2-OE2 2.64Å; R285-E305 PolarHBondContact NH2-OE2 2.99Å
286I36.9Very low38Very low147 Ų147160.6 Ų160.675%0.75473%0.729SS**  trans-95.3107168.9-65.6169.8000106.1R284 T288R284-I286 PolarHBondContact O-N 3.49Å; R284-I286 VanDerWaalsContact O-N 3.15Å; I286-T288 PolarHBondContact O-N 3.46Å; I286-T288 VanDerWaalsContact O-N 3.16Å
287N35Very low38Very low111 Ų111159.7 Ų159.759%0.59473%0.734SS**  trans-69.4110168.9-77.7-4.4000108Y289N287-Y289 HydrophobicContact CB-CE2 3.87Å
288T36.9Very low38.1Very low113 Ų113156.9 Ų156.969%0.69373%0.731SS**  trans-87120.5175.8-55.40000108.2I286I286-T288 PolarHBondContact O-N 3.46Å; I286-T288 VanDerWaalsContact O-N 3.16Å
289Y45.7Very low38.1Very low126 Ų126153.4 Ų153.449%0.49473%0.725SS.*  trans-104.4128.4175.4-62.5-80.5000109.5N287 L296N287-Y289 HydrophobicContact CB-CE2 3.87Å; Y289-L296 HydrophobicContact CD1-CD2 3.34Å; Y289-L296 HydrophobicContact CD1-CG 4.41Å; Y289-L296 HydrophobicContact CE1-CD2 3.86Å; Y289-L296 HydrophobicContact CG-CD2 3.97Å
290V39.3Very low37.8Very low90 Ų90150.2 Ų150.255%0.54572%0.723SS.*EExtended strand (participates in β ladder)trans-106.3128.1175.6-1770000108.7
291F37Very low38.1Very low141 Ų141144.2 Ų144.262%0.61871%0.713SS**EExtended strand (participates in β ladder)trans-89.6128.5175.1-88.5-93.2000110.6L296F291-L296 HydrophobicContact CD2-CD1 4.45Å; F291-L296 HydrophobicContact CE1-CD1 3.98Å; F291-L296 HydrophobicContact CE2-CD1 3.66Å; F291-L296 HydrophobicContact CZ-CD1 3.41Å; F291-L296 VanDerWaalsContact CZ-CD1 3.41Å; F291-L296 HydrophobicContact CZ-CG 4.49Å
292V40.6Very low38.2Very low119 Ų119147.9 Ų147.972%0.72172%0.718SS**EExtended strand (participates in β ladder)trans-12896.4166.5-175.30000107.5
293G54.8Low38.5Very low56 Ų56139.9 Ų139.958%0.57770%0.699SS**THydrogen-bonded Turntrans68.8-159.3-169.800000113.3Q295G293-Q295 PolarHBondContact O-N 3.23Å; G293-Q295 VanDerWaalsContact O-N 3.08Å
294N45.5Very low38.9Very low175 Ų175136.6 Ų136.694%0.93669%0.694SS**THydrogen-bonded Turntrans-78.823.4-175.9-7822.8000114.5
295Q36.5Very low39.2Very low151 Ų151131.5 Ų131.571%0.70668%0.68SS**EExtended strand (participates in β ladder)trans-133143.9174.7-71.8-172.7-0.500112.1G293G293-Q295 PolarHBondContact O-N 3.23Å; G293-Q295 VanDerWaalsContact O-N 3.08Å
296L37.8Very low39.5Very low88 Ų88130.9 Ų130.946%0.46169%0.685SS.*EExtended strand (participates in β ladder)trans-106.5115.9-172.8-155.4136000108.4Y289 F291Y289-L296 HydrophobicContact CD1-CD2 3.34Å; Y289-L296 HydrophobicContact CD1-CG 4.41Å; Y289-L296 HydrophobicContact CE1-CD2 3.86Å; Y289-L296 HydrophobicContact CG-CD2 3.97Å; F291-L296 HydrophobicContact CD2-CD1 4.45Å; F291-L296 HydrophobicContact CE1-CD1 3.98Å; F291-L296 HydrophobicContact CE2-CD1 3.66Å; F291-L296 HydrophobicContact CZ-CD1 3.41Å; F291-L296 VanDerWaalsContact CZ-CD1 3.41Å; F291-L296 HydrophobicContact CZ-CG 4.49Å
297I41.2Very low39.6Very low119 Ų119131.6 Ų131.661%0.6169%0.685SS**EExtended strand (participates in β ladder)trans-113.4120.6-178.1-55.4177.3000109
298P38.8Very low40Very low93 Ų93132 Ų13260%0.60468%0.684SS**PPolyproline II helixtrans-74.9128171.1-9.425.4000110.4
299Q36.4Very low40.4Very low167 Ų167129 Ų12978%0.7867%0.67SS**PPolyproline II helixtrans-97.5116.1170.3-162176.93.700108.8
300M33.1Very low40.3Very low183 Ų183129 Ų12990%0.90168%0.675SS**PPolyproline II helixtrans-85.3120.2167.8-70.8-172.8167.300108
301V37.4Very low40.6Very low118 Ų118130.6 Ų130.672%0.71568%0.676SS**PPolyproline II helixtrans-98116.2168.9-151.90000105.4S303V301-S303 PolarHBondContact O-N 3.26Å
302E33.5Very low41.1Very low200 Ų200130 Ų13094%0.93568%0.675SS**PPolyproline II helixtrans-68.5121.4170.3-73.8177.5167.700108.4
303S40.2Very low41.4Very low73 Ų73131.2 Ų131.251%0.5167%0.673SS.*  trans-142.5115.8176.246.80000109.3V301 E305V301-S303 PolarHBondContact O-N 3.26Å; S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 WeakPolarHBondContact O-CG 3.29Å; S303-E305 PolarHBondContact O-N 3.25Å
304E40.2Very low41.1Very low177 Ų177135.6 Ų135.683%0.82768%0.676SS**  trans26.750.7148.7-59177.3174.800117.5
305E43.3Very low41.2Very low125 Ų125133.7 Ų133.758%0.58466%0.662SS**  trans-95.1-7.2-175.2-92.2178.3-161.500114.5R285 S303R285-E305 IonicContact CZ-OE1 3.67Å; R285-E305 IonicContact NH2-OE1 3.27Å; R285-E305 PolarHBondContact NH2-OE1 3.28Å; R285-E305 IonicContact NH2-OE2 2.64Å; R285-E305 PolarHBondContact NH2-OE2 2.99Å; S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 WeakPolarHBondContact O-CG 3.29Å; S303-E305 PolarHBondContact O-N 3.25Å
306E40.1Very low41.7Very low177 Ų177128.9 Ų128.983%0.82765%0.648SS**SBendtrans-95.6-29.1-178.7-70.1-171.7166.500114.4
307E39.4Very low42.1Very low161 Ų161127.3 Ų127.375%0.75265%0.647SS**Hα-helixtrans-76-27.7176.5-77.6-172.5159.400112.8
308H43.5Very low42.4Very low121 Ų121124.1 Ų124.156%0.5664%0.639SS**Hα-helixtrans-76-27.2-176.7-114.4-49.9000113.8E312H308-E312 WeakPolarHBondContact O-CG 3.38Å; H308-E312 PolarHBondContact O-N 3.08Å; H308-E312 VanDerWaalsContact O-N 3.1Å
309A45.1Very low42.7Very low50 Ų50124.9 Ų124.941%0.41364%0.635SS.*Hα-helixtrans-74.3-31.9-179.100000112.6Q313A309-Q313 PolarHBondContact O-N 3.33Å
310E42.4Very low43.1Very low126 Ų126122.6 Ų122.659%0.58962%0.624SS**Hα-helixtrans-75.2-32.4175-73.2-16617000112.5K314E310-K314 WeakPolarHBondContact O-CG 3.48Å; E310-K314 PolarHBondContact O-N 3.37Å; E310-K314 VanDerWaalsContact O-N 3.17Å
311E46.3Very low43.5Very low122 Ų122120.4 Ų120.457%0.5761%0.611SS**Hα-helixtrans-67.7-42.4171.4-78-170156.100111.7Q313 K314 E315E311-Q313 VanDerWaalsContact C-N 3.33Å; E311-Q313 PolarHBondContact O-N 2.84Å; E311-K314 PolarHBondContact O-N 2.99Å; E311-E315 PolarHBondContact O-N 3.42Å
312E46.3Very low43.8Very low128 Ų128120.3 Ų120.360%0.59860%0.603SS**Hα-helixtrans-63.2-36.1177.3-79.7-171.7161.700112.7H308 A316H308-E312 WeakPolarHBondContact O-CG 3.38Å; H308-E312 PolarHBondContact O-N 3.08Å; H308-E312 VanDerWaalsContact O-N 3.1Å; E312-A316 WeakPolarHBondContact O-CB 3.38Å; E312-A316 PolarHBondContact O-N 3.15Å
313Q47Very low44.2Very low146 Ų146117.8 Ų117.868%0.68259%0.591SS**Hα-helixtrans-73.8-33.7176.4-76.5-1780.900113A309 E311 A317A309-Q313 PolarHBondContact O-N 3.33Å; E311-Q313 VanDerWaalsContact C-N 3.33Å; E311-Q313 PolarHBondContact O-N 2.84Å; Q313-A317 WeakPolarHBondContact O-CB 3.28Å; Q313-A317 PolarHBondContact O-N 3.22Å; Q313-A317 VanDerWaalsContact O-N 3.11Å
314K49Very low44.2Very low147 Ų147122.9 Ų122.964%0.63960%0.599SS**Hα-helixtrans-71.8-37174.4-77.4173.6-177.9162.20112.1E310 E311 A318E310-K314 WeakPolarHBondContact O-CG 3.48Å; E310-K314 PolarHBondContact O-N 3.37Å; E310-K314 VanDerWaalsContact O-N 3.17Å; E311-K314 PolarHBondContact O-N 2.99Å; K314-A318 WeakPolarHBondContact O-CB 3.42Å; K314-A318 PolarHBondContact O-N 3.44Å
315E48.2Very low44.1Very low135 Ų135121.2 Ų121.263%0.63160%0.596SS**Hα-helixtrans-67-41.6173.2-80.8-172.1154.200111.7E311 A317 A318 E319E311-E315 PolarHBondContact O-N 3.42Å; E315-A317 PolarHBondContact O-N 2.88Å; E315-A318 PolarHBondContact O-N 3Å; E315-E319 WeakPolarHBondContact O-CG 3.22Å; E315-E319 PolarHBondContact O-N 3.38Å
316A47.8Very low44Very low51 Ų51120.4 Ų120.442%0.42160%0.595SS.*Hα-helixtrans-64.4-38.7176.500000112.9E312 E319 E320E312-A316 WeakPolarHBondContact O-CB 3.38Å; E312-A316 PolarHBondContact O-N 3.15Å; A316-E319 PolarHBondContact O-N 3.37Å; A316-E320 PolarHBondContact O-N 3.31Å
317A45.6Very low43.7Very low54 Ų54114.6 Ų114.645%0.44658%0.583SS.*Hα-helixtrans-69.1-35.2175.400000112.4Q313 E315 E320 E321Q313-A317 WeakPolarHBondContact O-CB 3.28Å; Q313-A317 PolarHBondContact O-N 3.22Å; Q313-A317 VanDerWaalsContact O-N 3.11Å; E315-A317 PolarHBondContact O-N 2.88Å; A317-E320 PolarHBondContact O-N 3.16Å; A317-E321 PolarHBondContact O-N 3.24Å
318A46.5Very low43.6Very low52 Ų52114.4 Ų114.443%0.4359%0.587SS.*Hα-helixtrans-71.1-33.517400000112.4K314 E315 E321 E322K314-A318 WeakPolarHBondContact O-CB 3.42Å; K314-A318 PolarHBondContact O-N 3.44Å; E315-A318 PolarHBondContact O-N 3Å; A318-E321 PolarHBondContact O-N 3.35Å; A318-E322 WeakPolarHBondContact O-CB 3.39Å; A318-E322 PolarHBondContact O-N 3.02Å
319E45.8Very low43.2Very low110 Ų110115 Ų11551%0.51459%0.592SS.*Hα-helixtrans-67.5-38.3172.1-75.8-173.4157.700111.9E315 A316 E322 E323E315-E319 WeakPolarHBondContact O-CG 3.22Å; E315-E319 PolarHBondContact O-N 3.38Å; A316-E319 PolarHBondContact O-N 3.37Å; E319-E322 PolarHBondContact O-N 3.11Å; E319-E323 WeakPolarHBondContact O-CB 3.34Å; E319-E323 PolarHBondContact O-N 2.82Å
320E44.8Very low42.7Very low118 Ų118120.5 Ų120.555%0.55161%0.61SS**Hα-helixtrans-72.4-25.1174.1-78.8-171175.700113.8A316 A317 R324A316-E320 PolarHBondContact O-N 3.31Å; A317-E320 PolarHBondContact O-N 3.16Å; E320-R324 WeakPolarHBondContact O-CG 3.37Å; E320-R324 PolarHBondContact O-N 3.35Å; E320-R324 PolarHBondContact O-NE 3.42Å; E320-R324 IonicContact OE2-NH2 2.68Å
321E41.2Very low42.5Very low138 Ų138121.7 Ų121.765%0.64562%0.619SS**Hα-helixtrans-79.7-38.4170-84.4-169.4158.900111.8A317 A318 R324 D325A317-E321 PolarHBondContact O-N 3.24Å; A318-E321 PolarHBondContact O-N 3.35Å; E321-R324 PolarHBondContact O-N 2.88Å; E321-D325 PolarHBondContact O-N 3Å; E321-D325 VanDerWaalsContact O-N 3.1Å
322E43.4Very low42.1Very low115 Ų115122.7 Ų122.754%0.53763%0.626SS.*Hα-helixtrans-62.7-40.9171.6-87.8-168.3163.900111.6K277 A318 E319 R324 D325 I326K277-E322 IonicContact NZ-OE2 2.88Å; K277-E322 PolarHBondContact NZ-OE2 3.29Å; A318-E322 WeakPolarHBondContact O-CB 3.39Å; A318-E322 PolarHBondContact O-N 3.02Å; E319-E322 PolarHBondContact O-N 3.11Å; E322-R324 VanDerWaalsContact C-N 3.26Å; E322-R324 PolarHBondContact O-N 2.76Å; E322-D325 PolarHBondContact O-N 3.39Å; E322-D325 VanDerWaalsContact O-N 3.17Å; E322-I326 VanDerWaalsContact O-CG1 3.28Å; E322-I326 WeakPolarHBondContact O-CG1 3.42Å; E322-I326 PolarHBondContact O-N 2.65Å
323E42.9Very low42.2Very low148 Ų148124.8 Ų124.869%0.69263%0.633SS**Hα-helixtrans-65.3-27.4176-84.8-169.4165.200113.1E319E319-E323 WeakPolarHBondContact O-CB 3.34Å; E319-E323 PolarHBondContact O-N 2.82Å
324R40.5Very low42.6Very low179 Ų179123.3 Ų123.368%0.67563%0.627SS**Hα-helixtrans-81.5-20.2174.6-79.2-178.7-84.9-171.6-8113.3E320 E321 E322E320-R324 WeakPolarHBondContact O-CG 3.37Å; E320-R324 PolarHBondContact O-N 3.35Å; E320-R324 PolarHBondContact O-NE 3.42Å; E320-R324 IonicContact OE2-NH2 2.68Å; E321-R324 PolarHBondContact O-N 2.88Å; E322-R324 VanDerWaalsContact C-N 3.26Å; E322-R324 PolarHBondContact O-N 2.76Å
325D37.8Very low43.5Very low142 Ų142120.6 Ų120.676%0.75962%0.622SS**SBendtrans-96.83.3178.4-153.629.3000113.1E321 E322 G327E321-D325 PolarHBondContact O-N 3Å; E321-D325 VanDerWaalsContact O-N 3.1Å; E322-D325 PolarHBondContact O-N 3.39Å; E322-D325 VanDerWaalsContact O-N 3.17Å; D325-G327 PolarHBondContact O-N 2.71Å
326I41.4Very low45.2Very low109 Ų109115.5 Ų115.556%0.55960%0.599SS**  trans-75.263.8160.6-40.9-179.5000107.9E322 D328 I329E322-I326 VanDerWaalsContact O-CG1 3.28Å; E322-I326 WeakPolarHBondContact O-CG1 3.42Å; E322-I326 PolarHBondContact O-N 2.65Å; I326-D328 PolarHBondContact O-N 2.82Å; I326-I329 HydrophobicContact CG2-CD1 3.87Å; I326-I329 HydrophobicContact CG2-CG1 4.06Å
327G33.8Very low47.1Very low55 Ų55117.5 Ų117.557%0.56760%0.6SS**  trans-50.9132.7168.700000109.3D325 I329D325-G327 PolarHBondContact O-N 2.71Å; G327-I329 PolarHBondContact O-N 2.86Å
328D36Very low49.3Very low157 Ų157115.3 Ų115.384%0.8458%0.581SS**  trans-2.892171.3-64.1-41.6000113.2I326 E330I326-D328 PolarHBondContact O-N 2.82Å; D328-E330 PolarHBondContact O-N 2.89Å
329I36.3Very low51.4Low133 Ų133114.9 Ų114.968%0.68257%0.568SS**  trans-64.690162.4-61.5173.1000104.4I326 G327 I331I326-I329 HydrophobicContact CG2-CD1 3.87Å; I326-I329 HydrophobicContact CG2-CG1 4.06Å; G327-I329 PolarHBondContact O-N 2.86Å; I329-I331 PolarHBondContact O-N 3.48Å
330E33.6Very low53.5Low166 Ų166115.2 Ų115.278%0.77657%0.569SS**  trans-51.3103.2158.1-80.4-173.4155.300105.1D328 I332D328-E330 PolarHBondContact O-N 2.89Å; E330-I332 PolarHBondContact O-N 3.01Å
331I38.5Very low55.8Low151 Ų151111.8 Ų111.877%0.77455%0.553SS**  trans-58.693.1163.7-61.2171.4000103.3I329 K333I329-I331 PolarHBondContact O-N 3.48Å; I331-K333 PolarHBondContact O-N 3.24Å
332I38.7Very low58.3Low142 Ų142105.2 Ų105.273%0.72852%0.523SS*.  trans-58.498171.9-63173.2000103.7E330 Q334E330-I332 PolarHBondContact O-N 3.01Å; I332-Q334 VanDerWaalsContact C-N 3.34Å; I332-Q334 PolarHBondContact O-N 3.17Å
333K46.9Very low60.7Low172 Ų172103.3 Ų103.375%0.74852%0.516SS*.  trans-57.3104179.2-157178.9-174.2-174.50104.3I331 V335I331-K333 PolarHBondContact O-N 3.24Å; K333-V335 PolarHBondContact O-N 3.17Å
334Q56.9Low63.2Low116 Ų116100.3 Ų100.354%0.54252%0.516SS..  trans-53.2112.8-177.1-94.4-173.4-3.600107I332 N336I332-Q334 VanDerWaalsContact C-N 3.34Å; I332-Q334 PolarHBondContact O-N 3.17Å; Q334-N336 PolarHBondContact O-N 2.98Å
335V67.8Low65.7Low89 Ų8994 Ų9454%0.53950%0.496SS..  trans-61.6126.8-178.6176.60000107.4K333 E337 E340K333-V335 PolarHBondContact O-N 3.17Å; V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 3.17Å; V335-E340 HydrophobicContact CG1-CG 4.14Å; V335-E340 WeakPolarHBondContact CG1-OE1 3.32Å; V335-E340 WeakPolarHBondContact CG1-OE2 3.05Å
336N83.4Confident68.5Low29 Ų2993.7 Ų93.716%0.15550%0.501CS..  trans-7985.3178.1-172.1-30.5000108.9D136 Q334 L338 R339 E340D136-N336 PolarHBondContact OD2-ND2 3.03Å; Q334-N336 PolarHBondContact O-N 2.98Å; N336-L338 PolarHBondContact O-N 3.33Å; N336-R339 HydrophobicContact CB-CB 4.03Å; N336-R339 WeakPolarHBondContact O-CB 3.41Å; N336-R339 PolarHBondContact O-N 3.05Å; N336-R339 PolarHBondContact OD1-N 2.96Å; N336-E340 PolarHBondContact O-N 2.94Å; N336-E340 VanDerWaalsContact O-N 3.16Å
337E87.3Confident71Confident92 Ų9291.4 Ų91.443%0.4349%0.49SS..Hα-helixtrans-54.2-39.2-175.6-64.3179.5174.600112.5V335 R339 E340 Q341V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 3.17Å; E337-R339 VanDerWaalsContact C-N 3.31Å; E337-R339 PolarHBondContact O-N 2.71Å; E337-E340 PolarHBondContact O-N 2.71Å; E337-Q341 WeakPolarHBondContact O-CB 3.21Å; E337-Q341 VanDerWaalsContact O-CG 3.28Å; E337-Q341 WeakPolarHBondContact O-CG 3.33Å; E337-Q341 PolarHBondContact O-N 2.95Å
338L90.8Very high74Confident9 Ų992.6 Ų92.65%0.04749%0.487CS..Hα-helixtrans-61.8-41.1177.8-179.962.3000111.3D136 L255 R256 N336 I342D136-L338 HydrophobicContact CB-CB 4.46Å; D136-L338 HydrophobicContact CB-CD2 3.93Å; D136-L338 WeakPolarHBondContact O-CD2 3.38Å; L255-L338 HydrophobicContact CB-CD1 3.54Å; L255-L338 HydrophobicContact CD1-CD1 4.12Å; R256-L338 HydrophobicContact CG-CD1 4.15Å; R256-L338 HydrophobicContact CG-CD2 4.12Å; N336-L338 PolarHBondContact O-N 3.33Å; L338-I342 HydrophobicContact CD1-CD1 4.11Å; L338-I342 HydrophobicContact CD1-CG1 4.4Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 WeakPolarHBondContact O-CD1 3.29Å; L338-I342 VanDerWaalsContact O-CG1 3.25Å; L338-I342 WeakPolarHBondContact O-CG1 3.41Å; L338-I342 PolarHBondContact O-N 2.74Å
339R90.9Very high76.8Confident42 Ų4291 Ų9116%0.15848%0.475CS..Hα-helixtrans-63.9-47.8177.9179.8174.8-174.579.7-1.5111N336 E337 Q341 I342 L343 L356 R359 E360 K361N336-R339 HydrophobicContact CB-CB 4.03Å; N336-R339 WeakPolarHBondContact O-CB 3.41Å; N336-R339 PolarHBondContact O-N 3.05Å; N336-R339 PolarHBondContact OD1-N 2.96Å; E337-R339 VanDerWaalsContact C-N 3.31Å; E337-R339 PolarHBondContact O-N 2.71Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; R339-Q341 PolarHBondContact O-N 2.92Å; R339-I342 PolarHBondContact O-N 3.25Å; R339-L343 HydrophobicContact CG-CD1 4.03Å; R339-L343 HydrophobicContact CG-CG 4.42Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.04Å; R339-L356 HydrophobicContact CB-CD2 4.05Å; R339-L356 HydrophobicContact CG-CD2 3.82Å; R339-R359 PolarHBondContact NH1-O 3.04Å; R339-R359 PolarHBondContact NH2-O 2.9Å; R339-E360 PolarHBondContact NH2-O 3.19Å; R339-K361 PolarHBondContact NE-O 3.23Å; R339-K361 PolarHBondContact NH2-O 2.84Å
340E91.4Very high79.6Confident117 Ų11788.5 Ų88.555%0.54747%0.47SS..Hα-helixtrans-60.3-44.6178-66.1-168.8157.400111.8V335 N336 E337 I342 L343 A344V335-E340 HydrophobicContact CG1-CG 4.14Å; V335-E340 WeakPolarHBondContact CG1-OE1 3.32Å; V335-E340 WeakPolarHBondContact CG1-OE2 3.05Å; N336-E340 PolarHBondContact O-N 2.94Å; N336-E340 VanDerWaalsContact O-N 3.16Å; E337-E340 PolarHBondContact O-N 2.71Å; E340-I342 VanDerWaalsContact C-N 3.33Å; E340-I342 PolarHBondContact O-N 3.11Å; E340-L343 PolarHBondContact O-N 2.94Å; E340-A344 WeakPolarHBondContact O-CB 3.46Å; E340-A344 PolarHBondContact O-N 3.15Å
341Q92.7Very high82.5Confident47 Ų4784.3 Ų84.322%0.2245%0.452CS..Hα-helixtrans-58.2-44.8175.2-74.9-179.7-10.900111.8L255 E337 R339 A344 L345L255-Q341 HydrophobicContact CD2-CB 4.47Å; L255-Q341 PolarHBondContact O-OE1 3.22Å; L255-Q341 VanDerWaalsContact O-OE1 3.1Å; E337-Q341 WeakPolarHBondContact O-CB 3.21Å; E337-Q341 VanDerWaalsContact O-CG 3.28Å; E337-Q341 WeakPolarHBondContact O-CG 3.33Å; E337-Q341 PolarHBondContact O-N 2.95Å; R339-Q341 VanDerWaalsContact C-N 3.34Å; R339-Q341 PolarHBondContact O-N 2.92Å; Q341-A344 PolarHBondContact O-N 2.81Å; Q341-L345 WeakPolarHBondContact O-CG 3.12Å; Q341-L345 PolarHBondContact O-N 3.08Å
342I93.9Very high85.2Confident0 Ų078.2 Ų78.20%042%0.42CS..Hα-helixtrans-63.7-43.1177.1-69.3164.4000111.2R252 L255 L338 R339 E340 A344 L345 K352 L355 L356R252-I342 HydrophobicContact CG-CD1 4.44Å; L255-I342 HydrophobicContact CD1-CD1 4.49Å; L255-I342 HydrophobicContact CD1-CG1 3.56Å; L338-I342 HydrophobicContact CD1-CD1 4.11Å; L338-I342 HydrophobicContact CD1-CG1 4.4Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 WeakPolarHBondContact O-CD1 3.29Å; L338-I342 VanDerWaalsContact O-CG1 3.25Å; L338-I342 WeakPolarHBondContact O-CG1 3.41Å; L338-I342 PolarHBondContact O-N 2.74Å; R339-I342 PolarHBondContact O-N 3.25Å; E340-I342 VanDerWaalsContact C-N 3.33Å; E340-I342 PolarHBondContact O-N 3.11Å; I342-A344 VanDerWaalsContact C-N 3.3Å; I342-A344 PolarHBondContact O-N 2.98Å; I342-L345 WeakPolarHBondContact O-CB 3.14Å; I342-L345 PolarHBondContact O-N 2.99Å; I342-K352 HydrophobicContact CG2-CB 4.29Å; I342-K352 HydrophobicContact CG2-CG 4.46Å; I342-L355 HydrophobicContact CD1-CB 4.13Å; I342-L355 HydrophobicContact CG1-CB 4.44Å; I342-L355 HydrophobicContact CG2-CB 3.83Å; I342-L355 HydrophobicContact CG2-CD1 4.07Å; I342-L356 HydrophobicContact CB-CD2 4.2Å; I342-L356 HydrophobicContact CB-CG 4.46Å; I342-L356 HydrophobicContact CD1-CD2 3.7Å; I342-L356 HydrophobicContact CD1-CG 4.31Å; I342-L356 HydrophobicContact CG2-CD1 4.18Å; I342-L356 HydrophobicContact CG2-CD2 4.19Å; I342-L356 HydrophobicContact CG2-CG 3.89Å
343L93.4Very high87.9Confident74 Ų7473 Ų7339%0.38740%0.398SS..Hα-helixtrans-66.9-31.5-179.2-70.2176.4000112.7R339 E340 L345 K352 L356R339-L343 HydrophobicContact CG-CD1 4.03Å; R339-L343 HydrophobicContact CG-CG 4.42Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.04Å; E340-L343 PolarHBondContact O-N 2.94Å; L343-L345 VanDerWaalsContact C-N 3.3Å; L343-K352 HydrophobicContact CD2-CD 4.37Å; L343-K352 VanDerWaalsContact O-CE 3.3Å; L343-K352 WeakPolarHBondContact O-CE 3.28Å; L343-K352 PolarHBondContact O-NZ 2.9Å; L343-L356 HydrophobicContact CD2-CD1 3.9Å; L343-L356 HydrophobicContact CG-CD1 4.35Å
344A94.2Very high90.2Very high85 Ų8565.9 Ų65.970%0.70237%0.367SS*.Hα-helixtrans-74.7-14.9176.300000114E340 Q341 I342E340-A344 WeakPolarHBondContact O-CB 3.46Å; E340-A344 PolarHBondContact O-N 3.15Å; Q341-A344 PolarHBondContact O-N 2.81Å; I342-A344 VanDerWaalsContact C-N 3.3Å; I342-A344 PolarHBondContact O-N 2.98Å
345L94Very high92Very high48 Ų4860.7 Ų60.725%0.25134%0.343SS..SBendtrans-65142.2178-67.3174.8000111.1L255 Q341 I342 L343 L347 K352 L355L255-L345 HydrophobicContact CD1-CD1 4.2Å; Q341-L345 WeakPolarHBondContact O-CG 3.12Å; Q341-L345 PolarHBondContact O-N 3.08Å; I342-L345 WeakPolarHBondContact O-CB 3.14Å; I342-L345 PolarHBondContact O-N 2.99Å; L343-L345 VanDerWaalsContact C-N 3.3Å; L345-L347 HydrophobicContact CB-CB 4.46Å; L345-L347 HydrophobicContact CB-CD1 3.95Å; L345-L347 HydrophobicContact CB-CG 3.92Å; L345-L347 HydrophobicContact CD1-CD1 3.74Å; L345-L347 HydrophobicContact CG-CD1 4.49Å; L345-L347 PolarHBondContact O-N 3.36Å; L345-K352 WeakPolarHBondContact O-CE 3.46Å; L345-L355 HydrophobicContact CD1-CD1 4.35Å
346P95.8Very high93.2Very high134 Ų13456.8 Ų56.887%0.8732%0.319SS*.SBendtrans-76.955.3175.634.6-36.9000111.2
347L94.9Very high93.6Very high61 Ų6158 Ų5832%0.31932%0.322SS..SBendtrans-112.6153-179.7-64.6176.9000110.9L345 L351 K352 L355L345-L347 HydrophobicContact CB-CB 4.46Å; L345-L347 HydrophobicContact CB-CD1 3.95Å; L345-L347 HydrophobicContact CB-CG 3.92Å; L345-L347 HydrophobicContact CD1-CD1 3.74Å; L345-L347 HydrophobicContact CG-CD1 4.49Å; L345-L347 PolarHBondContact O-N 3.36Å; L347-L351 HydrophobicContact CB-CB 4.4Å; L347-L351 HydrophobicContact CD2-CD1 4.45Å; L347-K352 HydrophobicContact CB-CG 4.28Å; L347-K352 WeakPolarHBondContact O-CE 3.45Å; L347-L355 HydrophobicContact CD1-CD1 3.9Å
348P96.7Very high93.8Very high80 Ų8061 Ų6152%0.51933%0.33SS..  trans-57.4149.6168.1-23.533.4000112.7S350 L351 K352P348-S350 PolarHBondContact O-N 3.02Å; P348-L351 PolarHBondContact O-N 3.16Å; P348-K352 PolarHBondContact O-N 2.84Å; P348-K352 VanDerWaalsContact O-N 3.14Å
349E94.7Very high93.7Very high123 Ų12361.3 Ų61.358%0.57533%0.33SS*.Hα-helixtrans-58.5-33.5-178.4-68-53.6131.900113.5L351 K352 A353E349-L351 VanDerWaalsContact C-N 3.32Å; E349-L351 PolarHBondContact O-N 3.24Å; E349-K352 PolarHBondContact O-N 3.1Å; E349-K352 IonicContact OE1-NZ 3.51Å; E349-K352 PolarHBondContact OE1-NZ 2.87Å; E349-A353 WeakPolarHBondContact O-CB 3.39Å; E349-A353 PolarHBondContact O-N 3.46Å
350S94.9Very high93Very high82 Ų8268.5 Ų68.557%0.57337%0.366SS*.Hα-helixtrans-62.7-37.1175.355.40000113P348 Y354P348-S350 PolarHBondContact O-N 3.02Å; S350-Y354 WeakPolarHBondContact O-CB 3.45Å; S350-Y354 PolarHBondContact O-N 3.34Å
351L94.8Very high91.7Very high77 Ų7767.9 Ų67.940%0.40336%0.361SS..Hα-helixtrans-75.1-38.4176.5-67-173.4000111.4L347 P348 E349 Y354 L355L347-L351 HydrophobicContact CB-CB 4.4Å; L347-L351 HydrophobicContact CD2-CD1 4.45Å; P348-L351 PolarHBondContact O-N 3.16Å; E349-L351 VanDerWaalsContact C-N 3.32Å; E349-L351 PolarHBondContact O-N 3.24Å; L351-Y354 PolarHBondContact O-N 3.44Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 3.17Å
352K95.6Very high91.7Very high24 Ų2468.9 Ų68.910%0.10437%0.368CS..Hα-helixtrans-60.1-47.4172.7-66.5177.4-178.4172.70110.8I342 L343 L345 L347 P348 E349 Y354 L355 L356I342-K352 HydrophobicContact CG2-CB 4.29Å; I342-K352 HydrophobicContact CG2-CG 4.46Å; L343-K352 HydrophobicContact CD2-CD 4.37Å; L343-K352 VanDerWaalsContact O-CE 3.3Å; L343-K352 WeakPolarHBondContact O-CE 3.28Å; L343-K352 PolarHBondContact O-NZ 2.9Å; L345-K352 WeakPolarHBondContact O-CE 3.46Å; L347-K352 HydrophobicContact CB-CG 4.28Å; L347-K352 WeakPolarHBondContact O-CE 3.45Å; P348-K352 PolarHBondContact O-N 2.84Å; P348-K352 VanDerWaalsContact O-N 3.14Å; E349-K352 PolarHBondContact O-N 3.1Å; E349-K352 IonicContact OE1-NZ 3.51Å; E349-K352 PolarHBondContact OE1-NZ 2.87Å; K352-Y354 VanDerWaalsContact C-N 3.33Å; K352-Y354 PolarHBondContact O-N 3.49Å; K352-L355 PolarHBondContact O-N 3.37Å; K352-L356 WeakPolarHBondContact O-CB 3.46Å; K352-L356 VanDerWaalsContact O-CG 3.25Å; K352-L356 WeakPolarHBondContact O-CG 3.32Å; K352-L356 PolarHBondContact O-N 3.24Å
353A94.3Very high91.6Very high33 Ų3372.5 Ų72.527%0.27339%0.388SS..Hα-helixtrans-57.9-45.4175.900000111.5E349 L355 L356 Y357 Y358E349-A353 WeakPolarHBondContact O-CB 3.39Å; E349-A353 PolarHBondContact O-N 3.46Å; A353-L355 PolarHBondContact O-N 2.86Å; A353-L356 CarbonylContact O-C 3.44Å; A353-L356 PolarHBondContact O-N 3.47Å; A353-L356 VanDerWaalsContact O-N 3.13Å; A353-Y357 PolarHBondContact O-N 3.24Å; A353-Y358 HydrophobicContact CB-CD1 3.8Å; A353-Y358 HydrophobicContact CB-CE1 4.06Å; A353-Y358 WeakPolarHBondContact O-CA 3.45Å; A353-Y358 PolarHBondContact O-N 2.63Å
354Y94.9Very high91.5Very high22 Ų2272.4 Ų72.49%0.08639%0.388CS..Hα-helixtrans-61-43.8175.7178.8-111.4000113Q244 D245 R248 S350 L351 K352 L356 Y357 Y358Q244-Y354 VanDerWaalsContact C-OH 3.23Å; Q244-Y354 HydrophobicContact CG-CE1 3.69Å; Q244-Y354 PolarHBondContact O-OH 3.28Å; D245-Y354 VanDerWaalsContact CA-OH 3.25Å; D245-Y354 WeakPolarHBondContact CA-OH 3.41Å; D245-Y354 PolarHBondContact N-OH 2.67Å; D245-Y354 PolarHBondContact OD1-OH 3.04Å; R248-Y354 HydrophobicContact CB-CD1 4.29Å; R248-Y354 HydrophobicContact CB-CE1 3.58Å; R248-Y354 WeakPolarHBondContact CD-O 3.41Å; R248-Y354 HydrophobicContact CG-CE1 4.21Å; R248-Y354 PolarHBondContact NE-OH 3.42Å; S350-Y354 WeakPolarHBondContact O-CB 3.45Å; S350-Y354 PolarHBondContact O-N 3.34Å; L351-Y354 PolarHBondContact O-N 3.44Å; K352-Y354 VanDerWaalsContact C-N 3.33Å; K352-Y354 PolarHBondContact O-N 3.49Å; Y354-L356 PolarHBondContact O-N 2.87Å; Y354-Y357 PolarHBondContact O-N 3.49Å; Y354-Y357 VanDerWaalsContact O-N 3.17Å; Y354-Y358 HydrophobicContact CD2-CE2 4.08Å
355L94.5Very high91.3Very high6 Ų671.7 Ų71.73%0.03137%0.369CS..Hα-helixtrans-64-27.3175.3-70.5175.8000112.7R248 I251 R252 I342 L345 L347 L351 K352 A353R248-L355 HydrophobicContact CB-CD2 4.22Å; R248-L355 HydrophobicContact CG-CD2 4.14Å; I251-L355 HydrophobicContact CB-CD2 4.04Å; I251-L355 HydrophobicContact CD1-CD2 4.09Å; I251-L355 HydrophobicContact CG2-CD1 4.07Å; I251-L355 HydrophobicContact CG2-CD2 3.89Å; R252-L355 WeakPolarHBondContact CD-O 3.22Å; R252-L355 PolarHBondContact NH1-O 3.26Å; I342-L355 HydrophobicContact CD1-CB 4.13Å; I342-L355 HydrophobicContact CG1-CB 4.44Å; I342-L355 HydrophobicContact CG2-CB 3.83Å; I342-L355 HydrophobicContact CG2-CD1 4.07Å; L345-L355 HydrophobicContact CD1-CD1 4.35Å; L347-L355 HydrophobicContact CD1-CD1 3.9Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 3.17Å; K352-L355 PolarHBondContact O-N 3.37Å; A353-L355 PolarHBondContact O-N 2.86Å
356L93.4Very high91.1Very high8 Ų873.2 Ų73.24%0.04238%0.377CS..THydrogen-bonded Turntrans-91.88.8177.6-66.9167.7000113.5R339 I342 L343 K352 A353 Y354 Y358 R359R339-L356 HydrophobicContact CB-CD2 4.05Å; R339-L356 HydrophobicContact CG-CD2 3.82Å; I342-L356 HydrophobicContact CB-CD2 4.2Å; I342-L356 HydrophobicContact CB-CG 4.46Å; I342-L356 HydrophobicContact CD1-CD2 3.7Å; I342-L356 HydrophobicContact CD1-CG 4.31Å; I342-L356 HydrophobicContact CG2-CD1 4.18Å; I342-L356 HydrophobicContact CG2-CD2 4.19Å; I342-L356 HydrophobicContact CG2-CG 3.89Å; L343-L356 HydrophobicContact CD2-CD1 3.9Å; L343-L356 HydrophobicContact CG-CD1 4.35Å; K352-L356 WeakPolarHBondContact O-CB 3.46Å; K352-L356 VanDerWaalsContact O-CG 3.25Å; K352-L356 WeakPolarHBondContact O-CG 3.32Å; K352-L356 PolarHBondContact O-N 3.24Å; A353-L356 CarbonylContact O-C 3.44Å; A353-L356 PolarHBondContact O-N 3.47Å; A353-L356 VanDerWaalsContact O-N 3.13Å; Y354-L356 PolarHBondContact O-N 2.87Å; L356-Y358 PolarHBondContact O-N 3.07Å; L356-R359 VanDerWaalsContact O-CB 3.3Å; L356-R359 WeakPolarHBondContact O-CB 3.39Å; L356-R359 VanDerWaalsContact O-CD 3.31Å; L356-R359 WeakPolarHBondContact O-CD 3.37Å; L356-R359 WeakPolarHBondContact O-CG 3.5Å; L356-R359 PolarHBondContact O-N 3.03Å; L356-R359 VanDerWaalsContact O-N 3.13Å
357Y92.4Very high90.8Very high55 Ų5569.1 Ų69.122%0.21634%0.344CS..THydrogen-bonded Turntrans55.731.5-175.3-72.6-105.6000112.9F135 R248 A353 Y354 R359F135-Y357 HydrophobicContact CE1-CD1 4.13Å; F135-Y357 AromaticContact CE1-CD2 3.61Å; F135-Y357 HydrophobicContact CE1-CD2 3.61Å; F135-Y357 HydrophobicContact CE1-CE1 4.34Å; F135-Y357 AromaticContact CE1-CE2 3.84Å; F135-Y357 HydrophobicContact CE1-CE2 3.84Å; F135-Y357 AromaticContact CE1-CG 3.77Å; F135-Y357 HydrophobicContact CE1-CG 3.77Å; F135-Y357 AromaticContact CZ-CD1 3.87Å; F135-Y357 HydrophobicContact CZ-CD1 3.87Å; F135-Y357 HydrophobicContact CZ-CD2 4.05Å; F135-Y357 AromaticContact CZ-CE1 3.79Å; F135-Y357 HydrophobicContact CZ-CE1 3.79Å; F135-Y357 AromaticContact CZ-CE2 3.97Å; F135-Y357 HydrophobicContact CZ-CE2 3.97Å; F135-Y357 HydrophobicContact CZ-CG 4Å; F135-Y357 AromaticContact CZ-CZ 3.84Å; R248-Y357 HydrophobicContact CG-CE2 4.44Å; A353-Y357 PolarHBondContact O-N 3.24Å; Y354-Y357 PolarHBondContact O-N 3.49Å; Y354-Y357 VanDerWaalsContact O-N 3.17Å; Y357-R359 PolarHBondContact O-N 3.11Å
358Y91Very high90.5Very high153 Ų15369.7 Ų69.760%0.635%0.346SS*.THydrogen-bonded Turntrans57.128.8-177.8-52.5-82.2000113.9A353 Y354 L356A353-Y358 HydrophobicContact CB-CD1 3.8Å; A353-Y358 HydrophobicContact CB-CE1 4.06Å; A353-Y358 WeakPolarHBondContact O-CA 3.45Å; A353-Y358 PolarHBondContact O-N 2.63Å; Y354-Y358 HydrophobicContact CD2-CE2 4.08Å; L356-Y358 PolarHBondContact O-N 3.07Å
359R89.8Confident90.1Very high16 Ų1668.9 Ų68.96%0.0633%0.332CS..  trans-84.8131.9179.9-60.5168.363.4-162.28.7111.5I129 K130 S132 D136 R339 L356 Y357I129-R359 WeakPolarHBondContact O-CD 3.34Å; I129-R359 PolarHBondContact O-NE 2.67Å; K130-R359 PolarHBondContact O-NE 3.26Å; K130-R359 PolarHBondContact O-NH2 3.17Å; S132-R359 PolarHBondContact O-NH2 3.4Å; D136-R359 IonicContact OD1-NH1 2.84Å; D136-R359 PolarHBondContact OD1-NH1 3.3Å; D136-R359 IonicContact OD2-CZ 2.61Å; D136-R359 IonicContact OD2-NH1 3.97Å; D136-R359 PolarHBondContact OD2-NH1 3.45Å; R339-R359 PolarHBondContact NH1-O 3.04Å; R339-R359 PolarHBondContact NH2-O 2.9Å; L356-R359 VanDerWaalsContact O-CB 3.3Å; L356-R359 WeakPolarHBondContact O-CB 3.39Å; L356-R359 VanDerWaalsContact O-CD 3.31Å; L356-R359 WeakPolarHBondContact O-CD 3.37Å; L356-R359 WeakPolarHBondContact O-CG 3.5Å; L356-R359 PolarHBondContact O-N 3.03Å; L356-R359 VanDerWaalsContact O-N 3.13Å; Y357-R359 PolarHBondContact O-N 3.11Å
360E75Confident89.7Confident193 Ų19364.4 Ų64.490%0.90231%0.312SS*.  trans-86.8-1.4-173.1-63.7-173167.200115.4R339R339-E360 PolarHBondContact NH2-O 3.19Å
361K65.6Low89.2Confident104 Ų10462.8 Ų62.845%0.45229%0.288SS..  trans-40.70-171.4-79.8-163.5169.4-1640118.8N131 D133 R339N131-K361 WeakPolarHBondContact O-CE 3.42Å; N131-K361 PolarHBondContact O-NZ 3.1Å; D133-K361 IonicContact OD1-NZ 2.82Å; D133-K361 PolarHBondContact OD1-NZ 2.83Å; D133-K361 IonicContact OD2-NZ 3.57Å; D133-K361 PolarHBondContact OD2-NZ 3.42Å; R339-K361 PolarHBondContact NE-O 3.23Å; R339-K361 PolarHBondContact NH2-O 2.84Å

Retrieved 361 of 361 residues in 2638.5 ms (Link to these results)

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