A0A087YDI4_POEFO Loading...

Protein-L-isoaspartate O-methyltransferase domain-containing protein 2-like

AlphaFold DB , UniProt , Accession A0A087YDI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 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
1M72.3Confident89.6Confident76 Ų7658.6 Ų58.637%0.37439%0.387SS..  0161.20-85.2-143.5-62.400109.7A55 I68 V214 S215 F216M1-A55 PolarHBondContact O-N 2.83Å; M1-I68 HydrophobicContact CE-CD1 3.78Å; M1-I68 HydrophobicContact CE-CG1 3.72Å; M1-I68 HydrophobicContact CE-CG2 4.12Å; M1-I68 HydrophobicContact SD-CD1 3.73Å; M1-I68 HydrophobicContact SD-CG1 4.15Å; M1-V214 HydrophobicContact CE-CB 3.85Å; M1-V214 HydrophobicContact CE-CG1 4.1Å; M1-V214 WeakPolarHBondContact SD-CA 3.5Å; M1-V214 HydrophobicContact SD-CB 3.43Å; M1-V214 WeakPolarHBondContact SD-CB 3.29Å; M1-V214 HydrophobicContact SD-CG1 3.67Å; M1-S215 WeakPolarHBondContact CE-O 3.38Å; M1-S215 WeakPolarHBondContact CG-O 3.27Å; M1-S215 PolarHBondContact SD-N 3.28Å; M1-F216 HydrophobicContact CE-CD2 3.58Å; M1-F216 HydrophobicContact CE-CE1 4.43Å; M1-F216 HydrophobicContact CE-CE2 3.23Å; M1-F216 HydrophobicContact CE-CG 4.34Å; M1-F216 HydrophobicContact CE-CZ 3.73Å
2G81.8Confident90.3Very high33 Ų3359.3 Ų59.334%0.3438%0.384SS..BIsolated β-bridgetrans99.7-175.4-162.100000111.2D53G2-D53 CarbonylContact C-O 3.58Å; G2-D53 VanDerWaalsContact C-O 3.3Å; G2-D53 WeakPolarHBondContact CA-O 3.22Å; G2-D53 WeakPolarHBondContact CA-OD2 3.36Å
3G85.6Confident90.9Very high62 Ų6259.9 Ų59.964%0.63938%0.382SS*.  trans89.520.6-173.300000113.2D53G3-D53 PolarHBondContact N-O 3.16Å; G3-D53 PolarHBondContact N-OD2 2.63Å
4A86.4Confident91.4Very high42 Ų4255.7 Ų55.735%0.34736%0.356SS..SBendtrans-83.4-25177.500000113.1Y23 D53 C67A4-Y23 HydrophobicContact CB-CE1 4.39Å; A4-Y23 HydrophobicContact CB-CE2 3.75Å; A4-Y23 WeakPolarHBondContact CB-OH 3.08Å; A4-D53 PolarHBondContact N-OD2 2.8Å; A4-C67 HydrophobicContact CB-CB 3.95Å
5V92.5Very high91.8Very high27 Ų2752.1 Ų52.116%0.16433%0.332CS..SBendtrans-138.9168-178.8-61.40000111.4L14 N17 L18 A21 D53V5-L14 HydrophobicContact CG2-CD1 4.33Å; V5-N17 HydrophobicContact CB-CB 4.23Å; V5-N17 HydrophobicContact CG2-CB 4.34Å; V5-L18 HydrophobicContact CG1-CD2 4.27Å; V5-L18 HydrophobicContact CG2-CD2 3.78Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; V5-A21 HydrophobicContact CG1-CB 3.4Å; V5-D53 HydrophobicContact CG2-CB 3.56Å
6S90.8Very high92.2Very high70 Ų7052.4 Ų52.449%0.4933%0.33SS..PPolyproline II helixtrans-54.6162.1168.3-9.50000112.1N17S6-N17 WeakPolarHBondContact CB-OD1 3.11Å; S6-N17 PolarHBondContact OG-OD1 3.48Å
7A93.5Very high92.5Very high57 Ų5751.5 Ų51.547%0.47132%0.323SS..PPolyproline II helixtrans-74.2143.5158.600000109.5Y51 K52A7-Y51 WeakPolarHBondContact CA-O 3.29Å; A7-K52 HydrophobicContact CB-CB 4.42Å; A7-K52 HydrophobicContact CB-CG 3.83Å
8G94.8Very high92.8Very high13 Ų1348.6 Ų48.613%0.13431%0.305CS..PPolyproline II helixtrans-83.8162.9163.100000111.4Y51G8-Y51 PolarHBondContact N-O 2.95Å; G8-Y51 WeakPolarHBondContact O-CB 3.16Å
9E94.8Very high93.1Very high179 Ų17949.2 Ų49.284%0.83630%0.302SS*.SBendtrans-75.3-35.7169.2-53.9-170.317300109.9D13 Y51E9-D13 WeakPolarHBondContact CB-OD2 3.33Å; E9-D13 PolarHBondContact N-OD2 2.8Å; E9-D13 VanDerWaalsContact N-OD2 3.1Å; E9-Y51 WeakPolarHBondContact O-CD2 3.45Å
10D96.5Very high93.3Very high75 Ų7554.7 Ų54.740%0.40132%0.324SS..SBendtrans-128-168.217080.28.2000114D12 D13 L14 Y51D10-D12 WeakPolarHBondContact OD1-CA 3.1Å; D10-D12 PolarHBondContact OD1-N 2.72Å; D10-D13 PolarHBondContact OD1-N 3.4Å; D10-L14 PolarHBondContact O-N 2.84Å; D10-Y51 VanDerWaalsContact C-CG 3.49Å
11N97.2Very high93.4Very high11 Ų1154 Ų546%0.05933%0.325CS..Hα-helixtrans-68.9-38.2177.2-174.787.9000112.9L14 I15 F33 R38 Y51N11-L14 PolarHBondContact O-N 3.12Å; N11-I15 WeakPolarHBondContact O-CD1 3.44Å; N11-I15 WeakPolarHBondContact O-CG1 3.32Å; N11-I15 PolarHBondContact O-N 2.99Å; N11-I15 VanDerWaalsContact O-N 3.12Å; N11-F33 PolarHBondContact ND2-O 3.1Å; N11-R38 WeakPolarHBondContact OD1-CB 3.28Å; N11-R38 PolarHBondContact OD1-N 3.27Å; N11-Y51 HydrophobicContact CB-CD1 4.13Å; N11-Y51 HydrophobicContact CB-CE1 3.85Å
12D97.3Very high94.5Very high67 Ų6758.9 Ų58.936%0.35834%0.341SS..Hα-helixtrans-71.9-39.4-177.4-93.7-31.5000111.7D10 L14 I15 D16 R34D10-D12 WeakPolarHBondContact OD1-CA 3.1Å; D10-D12 PolarHBondContact OD1-N 2.72Å; D12-L14 VanDerWaalsContact C-N 3.33Å; D12-L14 PolarHBondContact O-N 3.02Å; D12-I15 WeakPolarHBondContact O-CA 3.44Å; D12-I15 WeakPolarHBondContact O-CB 3.21Å; D12-I15 PolarHBondContact O-N 2.79Å; D12-D16 PolarHBondContact O-N 2.84Å; D12-R34 VanDerWaalsContact CG-NH1 3.34Å; D12-R34 PolarHBondContact O-NH1 3.48Å; D12-R34 WeakPolarHBondContact OD1-CB 3.2Å; D12-R34 WeakPolarHBondContact OD1-CD 3.5Å; D12-R34 WeakPolarHBondContact OD1-CG 3.3Å; D12-R34 IonicContact OD1-CZ 3.49Å; D12-R34 IonicContact OD1-NE 2.72Å; D12-R34 IonicContact OD1-NH1 3.7Å; D12-R34 PolarHBondContact OD1-NH1 3.08Å
13D97.8Very high95.3Very high67 Ų6760 Ų6036%0.35834%0.335SS..Hα-helixtrans-58.3-43.5169.4-85.8-13.1000112.2E9 D10 I15 D16 N17E9-D13 WeakPolarHBondContact CB-OD2 3.33Å; E9-D13 PolarHBondContact N-OD2 2.8Å; E9-D13 VanDerWaalsContact N-OD2 3.1Å; D10-D13 PolarHBondContact OD1-N 3.4Å; D13-I15 PolarHBondContact O-N 3.2Å; D13-D16 PolarHBondContact O-N 3.05Å; D13-N17 WeakPolarHBondContact O-CB 3.38Å; D13-N17 PolarHBondContact O-N 3.36Å; D13-N17 PolarHBondContact O-ND2 3.39Å
14L97.8Very high95.8Very high1 Ų157.4 Ų57.41%0.00531%0.306CS..Hα-helixtrans-60.8-35.7174.8169.863.9000110.6V5 D10 N11 D12 L18 P66V5-L14 HydrophobicContact CG2-CD1 4.33Å; D10-L14 PolarHBondContact O-N 2.84Å; N11-L14 PolarHBondContact O-N 3.12Å; D12-L14 VanDerWaalsContact C-N 3.33Å; D12-L14 PolarHBondContact O-N 3.02Å; L14-L18 HydrophobicContact CD1-CD1 4Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.04Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 WeakPolarHBondContact O-CD1 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-L18 VanDerWaalsContact O-N 3.11Å; L14-P66 HydrophobicContact CD1-CB 4.22Å; L14-P66 HydrophobicContact CD1-CG 4.19Å; L14-P66 HydrophobicContact CD2-CB 4.07Å; L14-P66 HydrophobicContact CD2-CG 3.64Å; L14-P66 HydrophobicContact CG-CB 4.43Å; L14-P66 HydrophobicContact CG-CG 4.41Å
15I98Very high96.4Very high1 Ų160.9 Ų60.91%0.00531%0.31CS..Hα-helixtrans-69.6-41.4177.9-56.3-27.1000110.8N11 D12 D13 L18 K19 I24 E30 F33 R34N11-I15 WeakPolarHBondContact O-CD1 3.44Å; N11-I15 WeakPolarHBondContact O-CG1 3.32Å; N11-I15 PolarHBondContact O-N 2.99Å; N11-I15 VanDerWaalsContact O-N 3.12Å; D12-I15 WeakPolarHBondContact O-CA 3.44Å; D12-I15 WeakPolarHBondContact O-CB 3.21Å; D12-I15 PolarHBondContact O-N 2.79Å; D13-I15 PolarHBondContact O-N 3.2Å; I15-L18 HydrophobicContact CD1-CD1 4.46Å; I15-L18 PolarHBondContact O-N 3.22Å; I15-K19 HydrophobicContact CG2-CD 4.12Å; I15-K19 WeakPolarHBondContact O-CG 3.46Å; I15-K19 PolarHBondContact O-N 2.77Å; I15-I24 HydrophobicContact CG2-CD1 3.89Å; I15-E30 HydrophobicContact CG2-CG 4.08Å; I15-F33 HydrophobicContact CD1-CB 3.7Å; I15-F33 HydrophobicContact CD1-CD1 3.73Å; I15-F33 HydrophobicContact CD1-CG 4.12Å; I15-F33 HydrophobicContact CG1-CB 4Å; I15-F33 HydrophobicContact CG2-CB 4.46Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 3.99Å; I15-R34 HydrophobicContact CG2-CG 3.97Å
16D98.2Very high96.6Very high57 Ų5762.4 Ų62.431%0.30532%0.32SS..Hα-helixtrans-68.3-41.2176.8-75.9-59.8000112.7D12 D13 L18 K19 E20 R34D12-D16 PolarHBondContact O-N 2.84Å; D13-D16 PolarHBondContact O-N 3.05Å; D16-L18 PolarHBondContact O-N 3.3Å; D16-K19 WeakPolarHBondContact O-CB 2.99Å; D16-K19 PolarHBondContact O-N 2.82Å; D16-K19 IonicContact OD1-NZ 3.19Å; D16-K19 PolarHBondContact OD1-NZ 3.2Å; D16-E20 PolarHBondContact O-N 3.39Å; D16-R34 IonicContact OD1-NH2 3.7Å; D16-R34 PolarHBondContact OD1-NH2 3.49Å; D16-R34 IonicContact OD2-CZ 2.71Å; D16-R34 VanDerWaalsContact OD2-CZ 3.29Å; D16-R34 IonicContact OD2-NH1 3.48Å; D16-R34 PolarHBondContact OD2-NH1 2.68Å; D16-R34 IonicContact OD2-NH2 3.64Å; D16-R34 PolarHBondContact OD2-NH2 3.39Å
17N97.6Very high96.9Very high37 Ų3764.8 Ų64.820%0.19833%0.327CS..Hα-helixtrans-52.6-42.4169-82.2-74.7000112.1V5 S6 D13 A21V5-N17 HydrophobicContact CB-CB 4.23Å; V5-N17 HydrophobicContact CG2-CB 4.34Å; S6-N17 WeakPolarHBondContact CB-OD1 3.11Å; S6-N17 PolarHBondContact OG-OD1 3.48Å; D13-N17 WeakPolarHBondContact O-CB 3.38Å; D13-N17 PolarHBondContact O-N 3.36Å; D13-N17 PolarHBondContact O-ND2 3.39Å; N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 3.41Å
18L97.7Very high97Very high0 Ų065.6 Ų65.60%032%0.323CS..Hα-helixtrans-72-26.9177.5-70.9164.4000113.9V5 L14 I15 D16 Y22 Y23 I24 P66 C67V5-L18 HydrophobicContact CG1-CD2 4.27Å; V5-L18 HydrophobicContact CG2-CD2 3.78Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; L14-L18 HydrophobicContact CD1-CD1 4Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.04Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 WeakPolarHBondContact O-CD1 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-L18 VanDerWaalsContact O-N 3.11Å; I15-L18 HydrophobicContact CD1-CD1 4.46Å; I15-L18 PolarHBondContact O-N 3.22Å; D16-L18 PolarHBondContact O-N 3.3Å; L18-Y22 PolarHBondContact O-N 2.97Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.4Å; L18-Y23 PolarHBondContact O-N 3.09Å; L18-I24 HydrophobicContact CB-CD1 3.84Å; L18-I24 HydrophobicContact CB-CG1 4.08Å; L18-I24 HydrophobicContact CD1-CD1 4.11Å; L18-I24 PolarHBondContact O-N 2.72Å; L18-I24 VanDerWaalsContact O-N 3.17Å; L18-P66 HydrophobicContact CD1-CB 3.6Å; L18-P66 HydrophobicContact CD2-CB 4.36Å; L18-C67 HydrophobicContact CD2-CB 3.95Å
19K97.6Very high97.2Very high60 Ų6065.1 Ų65.126%0.26132%0.318SS..Hα-helixtrans-76.9-45.3174.2-73.3163.659.6-163.70111.9I15 D16 A21 Y22 I24 E30I15-K19 HydrophobicContact CG2-CD 4.12Å; I15-K19 WeakPolarHBondContact O-CG 3.46Å; I15-K19 PolarHBondContact O-N 2.77Å; D16-K19 WeakPolarHBondContact O-CB 2.99Å; D16-K19 PolarHBondContact O-N 2.82Å; D16-K19 IonicContact OD1-NZ 3.19Å; D16-K19 PolarHBondContact OD1-NZ 3.2Å; K19-A21 PolarHBondContact O-N 2.78Å; K19-Y22 WeakPolarHBondContact O-CA 3.4Å; K19-Y22 PolarHBondContact O-N 3.2Å; K19-I24 HydrophobicContact CG-CB 3.9Å; K19-I24 HydrophobicContact CG-CG2 3.92Å; K19-E30 VanDerWaalsContact CD-CD 3.46Å; K19-E30 HydrophobicContact CD-CG 4.09Å; K19-E30 WeakPolarHBondContact CD-OE1 3.34Å; K19-E30 VanDerWaalsContact CE-CD 3.48Å; K19-E30 WeakPolarHBondContact CE-OE1 3.29Å; K19-E30 VanDerWaalsContact CE-OE2 3.23Å; K19-E30 WeakPolarHBondContact CE-OE2 3.43Å; K19-E30 IonicContact NZ-OE1 2.82Å; K19-E30 PolarHBondContact NZ-OE1 3.49Å; K19-E30 IonicContact NZ-OE2 2.93Å; K19-E30 PolarHBondContact NZ-OE2 2.66Å
20E97.3Very high97.3Very high158 Ų15858.5 Ų58.574%0.73829%0.287SS*.Hα-helixtrans-60.6-34.9176.4-68.9-163.6161.400111.7D16 Y22D16-E20 PolarHBondContact O-N 3.39Å; E20-Y22 VanDerWaalsContact C-N 3.27Å; E20-Y22 WeakPolarHBondContact O-CD2 3.13Å; E20-Y22 WeakPolarHBondContact O-CE2 3.3Å; E20-Y22 PolarHBondContact O-N 2.7Å
21A96.4Very high97.4Very high41 Ų4161.1 Ų61.134%0.33929%0.291SS..THydrogen-bonded Turntrans-82.58.3172.600000114.8V5 N17 K19 Y23V5-A21 HydrophobicContact CG1-CB 3.4Å; N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 3.41Å; K19-A21 PolarHBondContact O-N 2.78Å; A21-Y23 HydrophobicContact CB-CD2 3.76Å; A21-Y23 HydrophobicContact CB-CE2 4.12Å; A21-Y23 WeakPolarHBondContact O-CD2 3.41Å; A21-Y23 PolarHBondContact O-N 2.87Å; A21-Y23 VanDerWaalsContact O-N 3.17Å
22Y95.9Very high97.4Very high179 Ų17960.6 Ų60.670%0.70229%0.288SS*.THydrogen-bonded Turntrans59.120.6176.9-62.7-97.5000116.1L18 K19 E20 R25L18-Y22 PolarHBondContact O-N 2.97Å; K19-Y22 WeakPolarHBondContact O-CA 3.4Å; K19-Y22 PolarHBondContact O-N 3.2Å; E20-Y22 VanDerWaalsContact C-N 3.27Å; E20-Y22 WeakPolarHBondContact O-CD2 3.13Å; E20-Y22 WeakPolarHBondContact O-CE2 3.3Å; E20-Y22 PolarHBondContact O-N 2.7Å; Y22-R25 WeakPolarHBondContact O-CD 3.34Å; Y22-R25 VanDerWaalsContact O-CG 3.27Å; Y22-R25 WeakPolarHBondContact O-CG 3.37Å; Y22-R25 PolarHBondContact O-NH1 2.8Å
23Y96.9Very high97.4Very high57 Ų5757.5 Ų57.522%0.22427%0.271CS..SBendtrans-76.9-37.8172.4-79-88.6000112A4 L18 A21 C67 S70 E71A4-Y23 HydrophobicContact CB-CE1 4.39Å; A4-Y23 HydrophobicContact CB-CE2 3.75Å; A4-Y23 WeakPolarHBondContact CB-OH 3.08Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.4Å; L18-Y23 PolarHBondContact O-N 3.09Å; A21-Y23 HydrophobicContact CB-CD2 3.76Å; A21-Y23 HydrophobicContact CB-CE2 4.12Å; A21-Y23 WeakPolarHBondContact O-CD2 3.41Å; A21-Y23 PolarHBondContact O-N 2.87Å; A21-Y23 VanDerWaalsContact O-N 3.17Å; Y23-C67 HydrophobicContact CD1-CB 3.64Å; Y23-C67 HydrophobicContact CE1-CB 3.77Å; Y23-C67 HydrophobicContact CG-CB 4.09Å; Y23-S70 WeakPolarHBondContact O-CB 3.42Å; Y23-E71 HydrophobicContact CD1-CG 3.96Å; Y23-E71 HydrophobicContact CE1-CG 4.32Å
24I97.9Very high97.4Very high7 Ų757.2 Ų57.24%0.03627%0.265CS..  trans-102.8127.2169.3-64.2175.5000107.6I15 L18 K19 V29 E30 F33 S70I15-I24 HydrophobicContact CG2-CD1 3.89Å; L18-I24 HydrophobicContact CB-CD1 3.84Å; L18-I24 HydrophobicContact CB-CG1 4.08Å; L18-I24 HydrophobicContact CD1-CD1 4.11Å; L18-I24 PolarHBondContact O-N 2.72Å; L18-I24 VanDerWaalsContact O-N 3.17Å; K19-I24 HydrophobicContact CG-CB 3.9Å; K19-I24 HydrophobicContact CG-CG2 3.92Å; I24-V29 HydrophobicContact CG1-CG1 4.31Å; I24-V29 HydrophobicContact CG2-CB 4.43Å; I24-V29 HydrophobicContact CG2-CG1 4.19Å; I24-E30 HydrophobicContact CG2-CB 3.87Å; I24-F33 HydrophobicContact CD1-CB 4.34Å; I24-F33 HydrophobicContact CD1-CD1 4.4Å; I24-F33 HydrophobicContact CD1-CD2 4.01Å; I24-F33 HydrophobicContact CD1-CE2 4.36Å; I24-F33 HydrophobicContact CD1-CG 4.01Å; I24-S70 WeakPolarHBondContact CG1-OG 3.47Å
25R97.1Very high97.4Very high115 Ų11557.4 Ų57.443%0.43427%0.267SS..  trans-130.7-10.3-171.1-56.2171-81.9-1108.6114Y22 E71 E74Y22-R25 WeakPolarHBondContact O-CD 3.34Å; Y22-R25 VanDerWaalsContact O-CG 3.27Å; Y22-R25 WeakPolarHBondContact O-CG 3.37Å; Y22-R25 PolarHBondContact O-NH1 2.8Å; R25-E71 IonicContact CZ-OE1 2.75Å; R25-E71 IonicContact CZ-OE2 3.75Å; R25-E71 IonicContact NH1-OE1 3.76Å; R25-E71 PolarHBondContact NH1-OE1 2.9Å; R25-E71 IonicContact NH1-OE2 3.86Å; R25-E71 VanDerWaalsContact NH2-CD 3.31Å; R25-E71 IonicContact NH2-OE1 2.78Å; R25-E71 PolarHBondContact NH2-OE1 2.94Å; R25-E71 IonicContact NH2-OE2 2.69Å; R25-E71 PolarHBondContact NH2-OE2 3.17Å; R25-E74 WeakPolarHBondContact CB-OE2 3.29Å; R25-E74 IonicContact CZ-OE2 3.29Å; R25-E74 PolarHBondContact N-OE1 2.85Å; R25-E74 IonicContact NE-OE2 3.6Å; R25-E74 PolarHBondContact NE-OE2 2.83Å; R25-E74 VanDerWaalsContact NE-OE2 3.14Å; R25-E74 VanDerWaalsContact NH2-CB 3.31Å; R25-E74 IonicContact NH2-OE2 2.69Å
26T97.8Very high97.3Very high58 Ų5857.5 Ų57.536%0.35627%0.268SS..SBendtrans-130.2139.1-17560.50000113L28 V29 E30 E74T26-L28 PolarHBondContact O-N 2.83Å; T26-V29 PolarHBondContact O-N 2.99Å; T26-V29 VanDerWaalsContact OG1-CG2 3.32Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.42Å; T26-E30 PolarHBondContact O-N 2.85Å; T26-E74 WeakPolarHBondContact CB-OE1 3.01Å; T26-E74 PolarHBondContact N-OE1 3.1Å; T26-E74 PolarHBondContact OG1-OE1 3.06Å
27D96.8Very high97.2Very high121 Ų12156.8 Ų56.865%0.64726%0.264SS*.Hα-helixtrans-58.8-17.3-179.7-36.8-7.5000113.8R31D27-R31 WeakPolarHBondContact O-CB 3.25Å; D27-R31 VanDerWaalsContact O-CG 3.25Å; D27-R31 WeakPolarHBondContact O-CG 3.35Å; D27-R31 PolarHBondContact O-N 2.94Å; D27-R31 PolarHBondContact O-NE 3.24Å
28L96.1Very high97.2Very high73 Ų7355 Ų5538%0.38226%0.255SS..Hα-helixtrans-80.6-39.2174.4-75.8169.4000111.7T26 A32 I101T26-L28 PolarHBondContact O-N 2.83Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.4Å; L28-I101 WeakPolarHBondContact O-CD1 3.35Å
29V98Very high97.2Very high4 Ų455 Ų552%0.02426%0.255CS..Hα-helixtrans-74.8-48.3176177.20000109.9I24 T26 R31 A32 F33 M73 E74I24-V29 HydrophobicContact CG1-CG1 4.31Å; I24-V29 HydrophobicContact CG2-CB 4.43Å; I24-V29 HydrophobicContact CG2-CG1 4.19Å; T26-V29 PolarHBondContact O-N 2.99Å; T26-V29 VanDerWaalsContact OG1-CG2 3.32Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.42Å; V29-R31 PolarHBondContact O-N 3.09Å; V29-A32 PolarHBondContact O-N 3.22Å; V29-A32 VanDerWaalsContact O-N 3.13Å; V29-F33 HydrophobicContact CG1-CD2 3.69Å; V29-F33 HydrophobicContact CG1-CE2 3.74Å; V29-F33 WeakPolarHBondContact O-CD2 3.01Å; V29-F33 PolarHBondContact O-N 2.83Å; V29-M73 HydrophobicContact CG1-CB 4.01Å; V29-M73 HydrophobicContact CG1-CE 4.35Å; V29-M73 HydrophobicContact CG2-CB 3.97Å; V29-E74 HydrophobicContact CG2-CG 4.3Å
30E98.2Very high97.1Very high40 Ų4054.6 Ų54.619%0.18726%0.255CS..Hα-helixtrans-51.7-55.1176.5172.8171.7-170.200111.4I15 K19 I24 T26 A32 F33 R34I15-E30 HydrophobicContact CG2-CG 4.08Å; K19-E30 VanDerWaalsContact CD-CD 3.46Å; K19-E30 HydrophobicContact CD-CG 4.09Å; K19-E30 WeakPolarHBondContact CD-OE1 3.34Å; K19-E30 VanDerWaalsContact CE-CD 3.48Å; K19-E30 WeakPolarHBondContact CE-OE1 3.29Å; K19-E30 VanDerWaalsContact CE-OE2 3.23Å; K19-E30 WeakPolarHBondContact CE-OE2 3.43Å; K19-E30 IonicContact NZ-OE1 2.82Å; K19-E30 PolarHBondContact NZ-OE1 3.49Å; K19-E30 IonicContact NZ-OE2 2.93Å; K19-E30 PolarHBondContact NZ-OE2 2.66Å; I24-E30 HydrophobicContact CG2-CB 3.87Å; T26-E30 PolarHBondContact O-N 2.85Å; E30-A32 PolarHBondContact O-N 3.44Å; E30-F33 PolarHBondContact O-N 3.03Å; E30-F33 VanDerWaalsContact O-N 3.09Å; E30-R34 HydrophobicContact CG-CG 4.27Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.41Å; E30-R34 IonicContact OE1-CZ 2.78Å; E30-R34 VanDerWaalsContact OE1-CZ 3.29Å; E30-R34 IonicContact OE1-NE 3.27Å; E30-R34 PolarHBondContact OE1-NE 3.01Å; E30-R34 IonicContact OE1-NH2 2.78Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å
31R97.5Very high97.1Very high129 Ų12947.2 Ų47.249%0.48722%0.22SC..Hα-helixtrans-65.2-26.4-176.6-71.2-175.2-60.5148.72.1113.2D27 V29 A35 F138D27-R31 WeakPolarHBondContact O-CB 3.25Å; D27-R31 VanDerWaalsContact O-CG 3.25Å; D27-R31 WeakPolarHBondContact O-CG 3.35Å; D27-R31 PolarHBondContact O-N 2.94Å; D27-R31 PolarHBondContact O-NE 3.24Å; V29-R31 PolarHBondContact O-N 3.09Å; R31-A35 WeakPolarHBondContact O-CB 3.34Å; R31-A35 PolarHBondContact O-N 3.45Å; R31-F138 HydrophobicContact CB-CE1 4.35Å; R31-F138 HydrophobicContact CB-CZ 4.12Å; R31-F138 WeakPolarHBondContact O-CZ 3.4Å
32A97.6Very high97.1Very high1 Ų145.3 Ų45.31%0.00820%0.204CC..Hα-helixtrans-74.7-36.2174.200000112.2L28 V29 E30 M73 M97 I101L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.4Å; V29-A32 PolarHBondContact O-N 3.22Å; V29-A32 VanDerWaalsContact O-N 3.13Å; E30-A32 PolarHBondContact O-N 3.44Å; A32-M73 HydrophobicContact CB-CE 3.89Å; A32-M97 HydrophobicContact CB-CB 4.33Å; A32-I101 HydrophobicContact CB-CD1 3.93Å; A32-I101 HydrophobicContact CB-CG1 3.88Å
33F98Very high97.1Very high1 Ų139.1 Ų39.10%0.00418%0.183CC..Hα-helixtrans-69.3-44.1174.6-95.7-89.3000112.8N11 I15 I24 V29 E30 A35 I36 S70 M73 M97N11-F33 PolarHBondContact ND2-O 3.1Å; I15-F33 HydrophobicContact CD1-CB 3.7Å; I15-F33 HydrophobicContact CD1-CD1 3.73Å; I15-F33 HydrophobicContact CD1-CG 4.12Å; I15-F33 HydrophobicContact CG1-CB 4Å; I15-F33 HydrophobicContact CG2-CB 4.46Å; I24-F33 HydrophobicContact CD1-CB 4.34Å; I24-F33 HydrophobicContact CD1-CD1 4.4Å; I24-F33 HydrophobicContact CD1-CD2 4.01Å; I24-F33 HydrophobicContact CD1-CE2 4.36Å; I24-F33 HydrophobicContact CD1-CG 4.01Å; V29-F33 HydrophobicContact CG1-CD2 3.69Å; V29-F33 HydrophobicContact CG1-CE2 3.74Å; V29-F33 WeakPolarHBondContact O-CD2 3.01Å; V29-F33 PolarHBondContact O-N 2.83Å; E30-F33 PolarHBondContact O-N 3.03Å; E30-F33 VanDerWaalsContact O-N 3.09Å; F33-A35 VanDerWaalsContact C-N 3.28Å; F33-A35 PolarHBondContact O-N 3.1Å; F33-I36 PolarHBondContact O-N 3.21Å; F33-S70 WeakPolarHBondContact CZ-OG 3.29Å; F33-M73 HydrophobicContact CD2-CE 4.47Å; F33-M73 HydrophobicContact CD2-SD 4.12Å; F33-M73 HydrophobicContact CE2-CE 4.43Å; F33-M73 HydrophobicContact CE2-SD 3.56Å; F33-M73 VanDerWaalsContact CE2-SD 3.56Å; F33-M73 HydrophobicContact CZ-SD 4.32Å; F33-M97 HydrophobicContact CD1-SD 3.89Å; F33-M97 HydrophobicContact CD2-SD 3.98Å; F33-M97 HydrophobicContact CE1-CE 4.22Å; F33-M97 HydrophobicContact CE1-SD 4.1Å; F33-M97 HydrophobicContact CE2-CE 4.33Å; F33-M97 HydrophobicContact CE2-SD 4.18Å; F33-M97 HydrophobicContact CG-SD 3.85Å; F33-M97 HydrophobicContact CZ-CE 4.08Å; F33-M97 HydrophobicContact CZ-SD 4.24Å
34R97.6Very high96.9Very high61 Ų6141.8 Ų41.823%0.2320%0.201CC..Hα-helixtrans-67.7-27.1174.6-60.5-164.2-175.9-85.55.4113.7D12 I15 D16 E30 I36D12-R34 VanDerWaalsContact CG-NH1 3.34Å; D12-R34 PolarHBondContact O-NH1 3.48Å; D12-R34 WeakPolarHBondContact OD1-CB 3.2Å; D12-R34 WeakPolarHBondContact OD1-CD 3.5Å; D12-R34 WeakPolarHBondContact OD1-CG 3.3Å; D12-R34 IonicContact OD1-CZ 3.49Å; D12-R34 IonicContact OD1-NE 2.72Å; D12-R34 IonicContact OD1-NH1 3.7Å; D12-R34 PolarHBondContact OD1-NH1 3.08Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 3.99Å; I15-R34 HydrophobicContact CG2-CG 3.97Å; D16-R34 IonicContact OD1-NH2 3.7Å; D16-R34 PolarHBondContact OD1-NH2 3.49Å; D16-R34 IonicContact OD2-CZ 2.71Å; D16-R34 VanDerWaalsContact OD2-CZ 3.29Å; D16-R34 IonicContact OD2-NH1 3.48Å; D16-R34 PolarHBondContact OD2-NH1 2.68Å; D16-R34 IonicContact OD2-NH2 3.64Å; D16-R34 PolarHBondContact OD2-NH2 3.39Å; E30-R34 HydrophobicContact CG-CG 4.27Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.41Å; E30-R34 IonicContact OE1-CZ 2.78Å; E30-R34 VanDerWaalsContact OE1-CZ 3.29Å; E30-R34 IonicContact OE1-NE 3.27Å; E30-R34 PolarHBondContact OE1-NE 3.01Å; E30-R34 IonicContact OE1-NH2 2.78Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 PolarHBondContact O-N 3.34Å
35A96.4Very high96.7Very high5 Ų549 Ų494%0.04124%0.235CC..THydrogen-bonded Turntrans-76-16.5-178.100000114.1R31 F33 L100 S134 F138R31-A35 WeakPolarHBondContact O-CB 3.34Å; R31-A35 PolarHBondContact O-N 3.45Å; F33-A35 VanDerWaalsContact C-N 3.28Å; F33-A35 PolarHBondContact O-N 3.1Å; A35-L100 HydrophobicContact CB-CD1 3.51Å; A35-S134 VanDerWaalsContact O-CB 3.28Å; A35-S134 WeakPolarHBondContact O-CB 3.43Å; A35-F138 HydrophobicContact CB-CD2 4.06Å; A35-F138 HydrophobicContact CB-CE2 3.33Å; A35-F138 HydrophobicContact CB-CZ 3.67Å
36I96.3Very high96.6Very high3 Ų347 Ų472%0.01523%0.228CC..SBendtrans-132.2100.9-176.4-49.2-168.3000109.2F33 R34 R38 Y41 Y93 T96 M97 L100 F128F33-I36 PolarHBondContact O-N 3.21Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 PolarHBondContact O-N 3.34Å; I36-R38 PolarHBondContact O-N 3.13Å; I36-Y41 HydrophobicContact CG2-CD2 4Å; I36-Y41 HydrophobicContact CG2-CE2 3.39Å; I36-Y93 HydrophobicContact CB-CE2 4.3Å; I36-Y93 HydrophobicContact CG2-CD2 4.02Å; I36-Y93 HydrophobicContact CG2-CE2 3.82Å; I36-T96 VanDerWaalsContact CD1-C 3.48Å; I36-T96 HydrophobicContact CD1-CG2 3.47Å; I36-T96 VanDerWaalsContact CD1-CG2 3.47Å; I36-M97 HydrophobicContact CB-CG 4.27Å; I36-M97 HydrophobicContact CD1-CB 4.36Å; I36-M97 HydrophobicContact CD1-CG 3.81Å; I36-M97 HydrophobicContact CG1-CG 4.26Å; I36-L100 HydrophobicContact CD1-CD1 3.69Å; I36-L100 HydrophobicContact CD1-CG 4.3Å; I36-L100 HydrophobicContact CG1-CD1 3.64Å; I36-F128 HydrophobicContact CD1-CE2 4.29Å; I36-F128 HydrophobicContact CD1-CZ 4.2Å; I36-F128 HydrophobicContact CG1-CD2 4.39Å; I36-F128 HydrophobicContact CG1-CE2 3.83Å; I36-F128 HydrophobicContact CG1-CZ 4.09Å
37D96.9Very high96.5Very high43 Ų4347.7 Ų47.723%0.2322%0.224CC..  trans-53.5123.6172-178.7-0.2000110.2A39 D40 R47 Y51D37-A39 VanDerWaalsContact C-N 3.29Å; D37-A39 PolarHBondContact O-N 2.93Å; D37-A39 WeakPolarHBondContact OD1-CB 3.36Å; D37-A39 PolarHBondContact OD1-N 3.46Å; D37-D40 HydrophobicContact CB-CB 4.48Å; D37-D40 PolarHBondContact O-N 3.2Å; D37-R47 IonicContact OD2-NH2 2.66Å; D37-R47 PolarHBondContact OD2-NH2 3.19Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.32Å
38R97.4Very high96.2Very high0 Ų048.1 Ų48.10%023%0.226CC..SBendtrans-63.2-33.5175.8-177.4171.6165.9904.4112.5N11 I36 D40 Y41 Y42 A50 L54 S64 Y93N11-R38 WeakPolarHBondContact OD1-CB 3.28Å; N11-R38 PolarHBondContact OD1-N 3.27Å; I36-R38 PolarHBondContact O-N 3.13Å; R38-D40 VanDerWaalsContact C-N 3.31Å; R38-D40 PolarHBondContact O-N 2.93Å; R38-Y41 PolarHBondContact O-N 3.1Å; R38-Y41 VanDerWaalsContact O-N 3.16Å; R38-Y42 HydrophobicContact CG-CE2 4Å; R38-Y42 PolarHBondContact NH2-OH 2.93Å; R38-Y42 VanDerWaalsContact NH2-OH 3.09Å; R38-Y42 WeakPolarHBondContact O-CD2 3.48Å; R38-A50 WeakPolarHBondContact CD-O 3.19Å; R38-A50 HydrophobicContact CG-CB 4.35Å; R38-A50 PolarHBondContact NE-O 3.49Å; R38-L54 PolarHBondContact NH2-O 2.99Å; R38-S64 PolarHBondContact NH1-O 2.92Å; R38-S64 PolarHBondContact NH2-O 3.07Å; R38-Y93 HydrophobicContact CB-CE2 4.31Å
39A97.1Very high96.1Very high0 Ų047.8 Ų47.80%023%0.225CC..G310 helixtrans-66.6-32.8-179.900000112.3D37 Y41 Y42 R47 A50 Y51D37-A39 VanDerWaalsContact C-N 3.29Å; D37-A39 PolarHBondContact O-N 2.93Å; D37-A39 WeakPolarHBondContact OD1-CB 3.36Å; D37-A39 PolarHBondContact OD1-N 3.46Å; A39-Y41 PolarHBondContact O-N 2.77Å; A39-Y41 VanDerWaalsContact O-N 3.1Å; A39-Y42 WeakPolarHBondContact O-CB 3.48Å; A39-Y42 PolarHBondContact O-N 2.67Å; A39-R47 HydrophobicContact CB-CB 4.32Å; A39-R47 HydrophobicContact CB-CG 4.28Å; A39-A50 VanDerWaalsContact CA-CB 3.45Å; A39-A50 HydrophobicContact CB-CB 3.56Å; A39-Y51 HydrophobicContact CB-CE1 3.79Å; A39-Y51 WeakPolarHBondContact CB-OH 3.49Å
40D96.6Very high96Very high50 Ų5047.6 Ų47.627%0.26722%0.224SC..G310 helixtrans-61.7-19.5174.2-83.4-9.6000113.2D37 R38 R47 K124D37-D40 HydrophobicContact CB-CB 4.48Å; D37-D40 PolarHBondContact O-N 3.2Å; R38-D40 VanDerWaalsContact C-N 3.31Å; R38-D40 PolarHBondContact O-N 2.93Å; D40-R47 IonicContact OD1-CZ 3.68Å; D40-R47 VanDerWaalsContact OD1-CZ 3.27Å; D40-R47 IonicContact OD1-NH1 3.93Å; D40-R47 PolarHBondContact OD1-NH1 2.89Å; D40-R47 IonicContact OD1-NH2 2.66Å; D40-R47 PolarHBondContact OD1-NH2 2.55Å; D40-K124 WeakPolarHBondContact O-CD 3.43Å; D40-K124 WeakPolarHBondContact O-CE 3.42Å; D40-K124 PolarHBondContact O-NZ 3.01Å
41Y97Very high95.9Very high3 Ų348 Ų481%0.01222%0.224CC..G310 helixtrans-95.9-1.2175.9-76.5-103.6000114.2I36 R38 A39 T91 Y93 T96 Y120 K124I36-Y41 HydrophobicContact CG2-CD2 4Å; I36-Y41 HydrophobicContact CG2-CE2 3.39Å; R38-Y41 PolarHBondContact O-N 3.1Å; R38-Y41 VanDerWaalsContact O-N 3.16Å; A39-Y41 PolarHBondContact O-N 2.77Å; A39-Y41 VanDerWaalsContact O-N 3.1Å; Y41-T91 WeakPolarHBondContact CD1-O 3.34Å; Y41-T91 WeakPolarHBondContact CE1-O 3.49Å; Y41-Y93 HydrophobicContact CD1-CD2 4.17Å; Y41-Y93 HydrophobicContact CD1-CG 4.39Å; Y41-Y93 AromaticContact CD2-CD2 3.59Å; Y41-Y93 HydrophobicContact CD2-CD2 3.59Å; Y41-Y93 HydrophobicContact CD2-CE2 4.3Å; Y41-Y93 HydrophobicContact CE2-CD2 4.07Å; Y41-Y93 AromaticContact CG-CD2 3.65Å; Y41-Y93 HydrophobicContact CG-CD2 3.65Å; Y41-Y93 HydrophobicContact CG-CG 4.18Å; Y41-T96 WeakPolarHBondContact OH-CB 3.43Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.31Å; Y41-T96 PolarHBondContact OH-OG1 2.8Å; Y41-Y120 PolarHBondContact O-OH 2.77Å; Y41-K124 HydrophobicContact CD1-CB 3.77Å; Y41-K124 HydrophobicContact CD1-CG 4.26Å; Y41-K124 HydrophobicContact CE1-CB 3.63Å; Y41-K124 HydrophobicContact CG-CB 4.36Å
42Y96.8Very high95.9Very high1 Ų145.5 Ų45.50%0.00422%0.217CC..SBendtrans-84.6164169.3-82.4-127000111.2R38 A39 Y46 N49 A50 W56 L63 Y120 K124R38-Y42 HydrophobicContact CG-CE2 4Å; R38-Y42 PolarHBondContact NH2-OH 2.93Å; R38-Y42 VanDerWaalsContact NH2-OH 3.09Å; R38-Y42 WeakPolarHBondContact O-CD2 3.48Å; A39-Y42 WeakPolarHBondContact O-CB 3.48Å; A39-Y42 PolarHBondContact O-N 2.67Å; Y42-Y46 VanDerWaalsContact CD1-O 3.31Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.45Å; Y42-N49 HydrophobicContact CE1-CB 4.21Å; Y42-N49 WeakPolarHBondContact CE1-O 3.47Å; Y42-N49 PolarHBondContact OH-O 3.29Å; Y42-A50 HydrophobicContact CD2-CB 4.04Å; Y42-A50 HydrophobicContact CE1-CB 4.47Å; Y42-A50 HydrophobicContact CE2-CB 3.97Å; Y42-A50 HydrophobicContact CG-CB 4.35Å; Y42-W56 AromaticContact CD1-CD2 3.64Å; Y42-W56 HydrophobicContact CD1-CD2 3.64Å; Y42-W56 AromaticContact CD1-CE2 3.94Å; Y42-W56 AromaticContact CD1-CE3 3.82Å; Y42-W56 HydrophobicContact CD1-CE3 3.82Å; Y42-W56 AromaticContact CD1-CG 3.98Å; Y42-W56 HydrophobicContact CD1-CG 3.98Å; Y42-W56 HydrophobicContact CD1-CZ2 4.42Å; Y42-W56 HydrophobicContact CD1-CZ3 4.3Å; Y42-W56 HydrophobicContact CD2-CE3 4.15Å; Y42-W56 HydrophobicContact CD2-CZ3 4.49Å; Y42-W56 HydrophobicContact CE1-CB 3.64Å; Y42-W56 AromaticContact CE1-CD1 3.91Å; Y42-W56 AromaticContact CE1-CD2 3.61Å; Y42-W56 HydrophobicContact CE1-CD2 3.61Å; Y42-W56 AromaticContact CE1-CE3 3.97Å; Y42-W56 HydrophobicContact CE1-CE3 3.97Å; Y42-W56 AromaticContact CE1-CG 3.44Å; Y42-W56 HydrophobicContact CE1-CG 3.44Å; Y42-W56 VanDerWaalsContact CE1-CG 3.44Å; Y42-W56 HydrophobicContact CE2-CE3 4.26Å; Y42-W56 HydrophobicContact CG-CD2 4.24Å; Y42-W56 AromaticContact CG-CE3 3.93Å; Y42-W56 HydrophobicContact CG-CE3 3.93Å; Y42-W56 HydrophobicContact CG-CZ3 4.11Å; Y42-W56 AromaticContact CZ-CG 3.92Å; Y42-W56 WeakPolarHBondContact OH-CB 3.31Å; Y42-L63 HydrophobicContact CD2-CD2 3.7Å; Y42-L63 HydrophobicContact CE2-CD2 3.48Å; Y42-L63 VanDerWaalsContact CE2-CD2 3.48Å; Y42-Y120 PolarHBondContact O-OH 2.93Å; Y42-K124 WeakPolarHBondContact O-CE 3.01Å; Y42-K124 PolarHBondContact O-NZ 3.02Å
43L95.3Very high95.8Very high49 Ų4945.7 Ų45.726%0.25722%0.217SC..  trans-72.7143.4160.6-76.5165.6000108.1E45 Y46 W56 H58 Y120L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.83Å; L43-Y46 HydrophobicContact CB-CD2 3.87Å; L43-Y46 HydrophobicContact CB-CE2 4.48Å; L43-Y46 PolarHBondContact O-N 2.79Å; L43-W56 HydrophobicContact CB-CH2 3.99Å; L43-W56 HydrophobicContact CB-CZ2 4.1Å; L43-W56 HydrophobicContact CD1-CH2 4.06Å; L43-W56 HydrophobicContact CD1-CZ2 4.15Å; L43-W56 HydrophobicContact CG-CH2 3.94Å; L43-W56 HydrophobicContact CG-CZ2 4.33Å; L43-H58 HydrophobicContact CD1-CB 4.15Å; L43-Y120 HydrophobicContact CD2-CE2 3.83Å; L43-Y120 HydrophobicContact CG-CE2 4.23Å; L43-Y120 PolarHBondContact N-OH 3.45Å
44D92.7Very high95.7Very high113 Ų11349.7 Ų49.760%0.60424%0.239SC*.G310 helixtrans-61.9-35.8-165.7-57.1-61.4000113.1Y46 R47D44-Y46 PolarHBondContact O-N 2.82Å; D44-R47 PolarHBondContact O-N 3.03Å
45E94.4Very high95.6Very high160 Ų16048.6 Ų48.675%0.74824%0.243SC*.G310 helixtrans-56.4-11.7171.5-61.9173.7-173.200115.2L43L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.83Å
46Y94.6Very high95.5Very high71 Ų7149.6 Ų49.628%0.27825%0.245SC..G310 helixtrans-125.64.9-172.4-60.5-85.4000114Y42 L43 D44 D48 N49 W56 H58Y42-Y46 VanDerWaalsContact CD1-O 3.31Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.45Å; L43-Y46 HydrophobicContact CB-CD2 3.87Å; L43-Y46 HydrophobicContact CB-CE2 4.48Å; L43-Y46 PolarHBondContact O-N 2.79Å; D44-Y46 PolarHBondContact O-N 2.82Å; Y46-D48 PolarHBondContact O-N 3.22Å; Y46-N49 PolarHBondContact O-N 3.49Å; Y46-W56 AromaticContact CD1-NE1 3.78Å; Y46-W56 AromaticContact CD2-CZ2 3.95Å; Y46-W56 HydrophobicContact CD2-CZ2 3.95Å; Y46-W56 HydrophobicContact CG-CZ2 4.06Å; Y46-W56 AromaticContact CG-NE1 3.71Å; Y46-H58 AromaticContact CE2-ND1 3.51Å; Y46-H58 AromaticContact CZ-ND1 3.51Å; Y46-H58 PolarHBondContact OH-CE1 3.19Å; Y46-H58 PolarHBondContact OH-ND1 3.05Å
47R94.8Very high95.4Very high73 Ų7357.9 Ų57.928%0.27528%0.276SS..G310 helixtrans-55.2-34.9-175-72.9-177.775.3117.77.4113.4D37 A39 D40 D44 N49 A50D37-R47 IonicContact OD2-NH2 2.66Å; D37-R47 PolarHBondContact OD2-NH2 3.19Å; A39-R47 HydrophobicContact CB-CB 4.32Å; A39-R47 HydrophobicContact CB-CG 4.28Å; D40-R47 IonicContact OD1-CZ 3.68Å; D40-R47 VanDerWaalsContact OD1-CZ 3.27Å; D40-R47 IonicContact OD1-NH1 3.93Å; D40-R47 PolarHBondContact OD1-NH1 2.89Å; D40-R47 IonicContact OD1-NH2 2.66Å; D40-R47 PolarHBondContact OD1-NH2 2.55Å; D44-R47 PolarHBondContact O-N 3.03Å; R47-N49 PolarHBondContact O-N 2.93Å; R47-A50 WeakPolarHBondContact O-CB 3.39Å; R47-A50 PolarHBondContact O-N 2.98Å
48D91.5Very high95.2Very high131 Ų13159.8 Ų59.870%0.70128%0.284SS*.G310 helixtrans-58.7-7.5175.5-44.8-7.8000114.4Y46 K52Y46-D48 PolarHBondContact O-N 3.22Å; D48-K52 WeakPolarHBondContact O-CE 3.35Å; D48-K52 PolarHBondContact O-NZ 3.17Å
49N93.4Very high95.1Very high66 Ų6662 Ų6235%0.35331%0.307SS..G310 helixtrans-113.610.9177.2-59-73.7000113.2Y42 Y46 R47 K52Y42-N49 HydrophobicContact CE1-CB 4.21Å; Y42-N49 WeakPolarHBondContact CE1-O 3.47Å; Y42-N49 PolarHBondContact OH-O 3.29Å; Y46-N49 PolarHBondContact O-N 3.49Å; R47-N49 PolarHBondContact O-N 2.93Å; N49-K52 HydrophobicContact CB-CD 4.48Å; N49-K52 PolarHBondContact OD1-NZ 2.78Å
50A95.6Very high95Very high0 Ų065.4 Ų65.40%033%0.325CS..SBendtrans-73.4-50177.700000112.6R38 A39 Y42 R47 K52R38-A50 WeakPolarHBondContact CD-O 3.19Å; R38-A50 HydrophobicContact CG-CB 4.35Å; R38-A50 PolarHBondContact NE-O 3.49Å; A39-A50 VanDerWaalsContact CA-CB 3.45Å; A39-A50 HydrophobicContact CB-CB 3.56Å; Y42-A50 HydrophobicContact CD2-CB 4.04Å; Y42-A50 HydrophobicContact CE1-CB 4.47Å; Y42-A50 HydrophobicContact CE2-CB 3.97Å; Y42-A50 HydrophobicContact CG-CB 4.35Å; R47-A50 WeakPolarHBondContact O-CB 3.39Å; R47-A50 PolarHBondContact O-N 2.98Å; A50-K52 PolarHBondContact O-N 3Å
51Y97.3Very high94.9Very high49 Ų4964 Ų6419%0.19232%0.317CS..SBendtrans-80.74.5-172.8-43.2-44000114.3A7 G8 E9 D10 N11 D37 A39A7-Y51 WeakPolarHBondContact CA-O 3.29Å; G8-Y51 PolarHBondContact N-O 2.95Å; G8-Y51 WeakPolarHBondContact O-CB 3.16Å; E9-Y51 WeakPolarHBondContact O-CD2 3.45Å; D10-Y51 VanDerWaalsContact C-CG 3.49Å; N11-Y51 HydrophobicContact CB-CD1 4.13Å; N11-Y51 HydrophobicContact CB-CE1 3.85Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.32Å; A39-Y51 HydrophobicContact CB-CE1 3.79Å; A39-Y51 WeakPolarHBondContact CB-OH 3.49Å
52K96.3Very high94.7Very high75 Ų7567 Ų6733%0.32633%0.331SS..SBendtrans-86.6134.9172.1-60.7171.3-171.1159.30107.7A7 D48 N49 A50 L54A7-K52 HydrophobicContact CB-CB 4.42Å; A7-K52 HydrophobicContact CB-CG 3.83Å; D48-K52 WeakPolarHBondContact O-CE 3.35Å; D48-K52 PolarHBondContact O-NZ 3.17Å; N49-K52 HydrophobicContact CB-CD 4.48Å; N49-K52 PolarHBondContact OD1-NZ 2.78Å; A50-K52 PolarHBondContact O-N 3Å; K52-L54 HydrophobicContact CB-CD1 4.21Å; K52-L54 HydrophobicContact CB-CG 4.37Å; K52-L54 PolarHBondContact O-N 3.38Å
53D96.4Very high94.6Very high5 Ų566.9 Ų66.93%0.02733%0.331CS..SBendtrans-7174.5173.7178.154.5000111.1G2 G3 A4 V5 P66 C67G2-D53 CarbonylContact C-O 3.58Å; G2-D53 VanDerWaalsContact C-O 3.3Å; G2-D53 WeakPolarHBondContact CA-O 3.22Å; G2-D53 WeakPolarHBondContact CA-OD2 3.36Å; G3-D53 PolarHBondContact N-O 3.16Å; G3-D53 PolarHBondContact N-OD2 2.63Å; A4-D53 PolarHBondContact N-OD2 2.8Å; V5-D53 HydrophobicContact CG2-CB 3.56Å; D53-P66 VanDerWaalsContact OD1-CD 3.24Å; D53-P66 WeakPolarHBondContact OD1-CD 3.3Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.48Å; D53-C67 PolarHBondContact OD1-N 3.47Å; D53-C67 PolarHBondContact OD1-SG 2.91Å; D53-C67 PolarHBondContact OD2-SG 2.61Å
54L95.4Very high94.6Very high86 Ų8664.8 Ų64.845%0.4532%0.32SS..BIsolated β-bridgetrans-143.1144.7-176.6-69.8175.7000110.5R38 K52R38-L54 PolarHBondContact NH2-O 2.99Å; K52-L54 HydrophobicContact CB-CD1 4.21Å; K52-L54 HydrophobicContact CB-CG 4.37Å; K52-L54 PolarHBondContact O-N 3.38Å
55A94.8Very high94.7Very high38 Ų3859.4 Ų59.431%0.31429%0.292SS..  trans-73.3132.3166.700000109.7M1 L63M1-A55 PolarHBondContact O-N 2.83Å; A55-L63 CarbonylContact C-O 3.56Å; A55-L63 VanDerWaalsContact CA-O 3.27Å; A55-L63 WeakPolarHBondContact CA-O 3.44Å
56W94.8Very high94.9Very high26 Ų2651.9 Ų51.910%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-114.5143.8178.8170.374000110.2Y42 L43 Y46 H58 I61 H62 L63Y42-W56 AromaticContact CD1-CD2 3.64Å; Y42-W56 HydrophobicContact CD1-CD2 3.64Å; Y42-W56 AromaticContact CD1-CE2 3.94Å; Y42-W56 AromaticContact CD1-CE3 3.82Å; Y42-W56 HydrophobicContact CD1-CE3 3.82Å; Y42-W56 AromaticContact CD1-CG 3.98Å; Y42-W56 HydrophobicContact CD1-CG 3.98Å; Y42-W56 HydrophobicContact CD1-CZ2 4.42Å; Y42-W56 HydrophobicContact CD1-CZ3 4.3Å; Y42-W56 HydrophobicContact CD2-CE3 4.15Å; Y42-W56 HydrophobicContact CD2-CZ3 4.49Å; Y42-W56 HydrophobicContact CE1-CB 3.64Å; Y42-W56 AromaticContact CE1-CD1 3.91Å; Y42-W56 AromaticContact CE1-CD2 3.61Å; Y42-W56 HydrophobicContact CE1-CD2 3.61Å; Y42-W56 AromaticContact CE1-CE3 3.97Å; Y42-W56 HydrophobicContact CE1-CE3 3.97Å; Y42-W56 AromaticContact CE1-CG 3.44Å; Y42-W56 HydrophobicContact CE1-CG 3.44Å; Y42-W56 VanDerWaalsContact CE1-CG 3.44Å; Y42-W56 HydrophobicContact CE2-CE3 4.26Å; Y42-W56 HydrophobicContact CG-CD2 4.24Å; Y42-W56 AromaticContact CG-CE3 3.93Å; Y42-W56 HydrophobicContact CG-CE3 3.93Å; Y42-W56 HydrophobicContact CG-CZ3 4.11Å; Y42-W56 AromaticContact CZ-CG 3.92Å; Y42-W56 WeakPolarHBondContact OH-CB 3.31Å; L43-W56 HydrophobicContact CB-CH2 3.99Å; L43-W56 HydrophobicContact CB-CZ2 4.1Å; L43-W56 HydrophobicContact CD1-CH2 4.06Å; L43-W56 HydrophobicContact CD1-CZ2 4.15Å; L43-W56 HydrophobicContact CG-CH2 3.94Å; L43-W56 HydrophobicContact CG-CZ2 4.33Å; Y46-W56 AromaticContact CD1-NE1 3.78Å; Y46-W56 AromaticContact CD2-CZ2 3.95Å; Y46-W56 HydrophobicContact CD2-CZ2 3.95Å; Y46-W56 HydrophobicContact CG-CZ2 4.06Å; Y46-W56 AromaticContact CG-NE1 3.71Å; W56-H58 HydrophobicContact CH2-CB 4.33Å; W56-H58 HydrophobicContact CZ2-CB 3.75Å; W56-I61 HydrophobicContact CE3-CG2 4.34Å; W56-I61 HydrophobicContact CH2-CG2 3.75Å; W56-I61 HydrophobicContact CZ3-CG2 3.49Å; W56-I61 VanDerWaalsContact CZ3-CG2 3.49Å; W56-H62 WeakPolarHBondContact O-CA 3.39Å; W56-H62 PolarHBondContact O-CD2 3.47Å; W56-H62 VanDerWaalsContact O-CD2 3.32Å; W56-L63 HydrophobicContact CE3-CB 4.49Å; W56-L63 HydrophobicContact CE3-CD1 3.96Å; W56-L63 HydrophobicContact CZ3-CD1 4.01Å; W56-L63 PolarHBondContact N-O 2.79Å; W56-L63 PolarHBondContact O-N 2.97Å
57R93.5Very high95Very high177 Ų17748.7 Ų48.767%0.66824%0.244SC*.EExtended strand (participates in β ladder)trans-145132.9179.3-172-172.6169.1-166.6-4.5110.7G59 I61 H62R57-G59 PolarHBondContact NE-O 3.14Å; R57-G59 PolarHBondContact NH2-O 2.9Å; R57-I61 CarbonylContact C-O 3.58Å; R57-I61 VanDerWaalsContact CA-O 3.28Å; R57-I61 WeakPolarHBondContact CA-O 3.5Å; R57-I61 VanDerWaalsContact CG-O 3.26Å; R57-I61 WeakPolarHBondContact CG-O 3.32Å; R57-H62 HydrophobicContact CG-CB 4.39Å
58H94.3Very high95.1Very high82 Ų8245.4 Ų45.438%0.3823%0.232SC..EExtended strand (participates in β ladder)trans-135111.8168.8-171.8109.6000109.1L43 Y46 W56 N60 I61L43-H58 HydrophobicContact CD1-CB 4.15Å; Y46-H58 AromaticContact CE2-ND1 3.51Å; Y46-H58 AromaticContact CZ-ND1 3.51Å; Y46-H58 PolarHBondContact OH-CE1 3.19Å; Y46-H58 PolarHBondContact OH-ND1 3.05Å; W56-H58 HydrophobicContact CH2-CB 4.33Å; W56-H58 HydrophobicContact CZ2-CB 3.75Å; H58-N60 PolarHBondContact O-N 2.96Å; H58-N60 VanDerWaalsContact O-N 3.13Å; H58-I61 PolarHBondContact N-O 2.8Å; H58-I61 WeakPolarHBondContact O-CB 3.47Å; H58-I61 PolarHBondContact O-N 3.37Å
59G94.5Very high95.4Very high48 Ų4839.9 Ų39.950%0.49520%0.202SC..THydrogen-bonded Turntrans59.6-114.2-175.500000113.1R57R57-G59 PolarHBondContact NE-O 3.14Å; R57-G59 PolarHBondContact NH2-O 2.9Å
60N94.6Very high95.6Very high71 Ų7136.8 Ų36.838%0.3819%0.185SC..THydrogen-bonded Turntrans-88.6-21.8174.9-59.6-27.4000112.7H58 H114 D116 V117H58-N60 PolarHBondContact O-N 2.96Å; H58-N60 VanDerWaalsContact O-N 3.13Å; N60-H114 HydrophobicContact CB-CB 4.23Å; N60-H114 PolarHBondContact ND2-ND1 2.93Å; N60-H114 PolarHBondContact OD1-CE1 3.4Å; N60-D116 WeakPolarHBondContact CB-OD2 3.48Å; N60-D116 PolarHBondContact ND2-OD2 3.49Å; N60-V117 HydrophobicContact CB-CG2 3.55Å
61I94.2Very high95.7Very high19 Ų1937.8 Ų37.810%0.09719%0.19CC..EExtended strand (participates in β ladder)trans-70.6132.6178.5-72.6169.3000109.7W56 R57 H58 T91 V117 Y120W56-I61 HydrophobicContact CE3-CG2 4.34Å; W56-I61 HydrophobicContact CH2-CG2 3.75Å; W56-I61 HydrophobicContact CZ3-CG2 3.49Å; W56-I61 VanDerWaalsContact CZ3-CG2 3.49Å; R57-I61 CarbonylContact C-O 3.58Å; R57-I61 VanDerWaalsContact CA-O 3.28Å; R57-I61 WeakPolarHBondContact CA-O 3.5Å; R57-I61 VanDerWaalsContact CG-O 3.26Å; R57-I61 WeakPolarHBondContact CG-O 3.32Å; H58-I61 PolarHBondContact N-O 2.8Å; H58-I61 WeakPolarHBondContact O-CB 3.47Å; H58-I61 PolarHBondContact O-N 3.37Å; I61-T91 HydrophobicContact CG2-CG2 3.6Å; I61-V117 HydrophobicContact CG1-CG2 4.22Å; I61-Y120 HydrophobicContact CD1-CD1 4.09Å; I61-Y120 HydrophobicContact CD1-CD2 3.64Å; I61-Y120 HydrophobicContact CD1-CE1 4.22Å; I61-Y120 HydrophobicContact CD1-CE2 3.78Å; I61-Y120 HydrophobicContact CD1-CG 3.77Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å; I61-Y120 HydrophobicContact CG1-CG 4.45Å
62H92.9Very high95.7Very high66 Ų6635.4 Ų35.431%0.30618%0.181SC..EExtended strand (participates in β ladder)trans-145.8131.1178.2173.9-119.4000111.3W56 R57W56-H62 WeakPolarHBondContact O-CA 3.39Å; W56-H62 PolarHBondContact O-CD2 3.47Å; W56-H62 VanDerWaalsContact O-CD2 3.32Å; R57-H62 HydrophobicContact CG-CB 4.39Å
63L94.9Very high95.8Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-113.7131165.1-87.367.3000108.7Y42 A55 W56 T91Y42-L63 HydrophobicContact CD2-CD2 3.7Å; Y42-L63 HydrophobicContact CE2-CD2 3.48Å; Y42-L63 VanDerWaalsContact CE2-CD2 3.48Å; A55-L63 CarbonylContact C-O 3.56Å; A55-L63 VanDerWaalsContact CA-O 3.27Å; A55-L63 WeakPolarHBondContact CA-O 3.44Å; W56-L63 HydrophobicContact CE3-CB 4.49Å; W56-L63 HydrophobicContact CE3-CD1 3.96Å; W56-L63 HydrophobicContact CZ3-CD1 4.01Å; W56-L63 PolarHBondContact N-O 2.79Å; W56-L63 PolarHBondContact O-N 2.97Å; L63-T91 HydrophobicContact CD1-CG2 3.38Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.46Å
64S95.2Very high95.9Very high5 Ų532.8 Ų32.84%0.03517%0.169CC..  trans-68.7162.8169.4-55.30000111R38 Y69R38-S64 PolarHBondContact NH1-O 2.92Å; R38-S64 PolarHBondContact NH2-O 3.07Å; S64-Y69 VanDerWaalsContact CB-CZ 3.5Å; S64-Y69 PolarHBondContact N-OH 3.25Å; S64-Y69 VanDerWaalsContact O-CE2 3.32Å; S64-Y69 WeakPolarHBondContact O-CE2 3.35Å
65A96.1Very high96Very high0 Ų029.1 Ų29.10%015%0.151CC..  trans-64.7145175.300000111.2C67 I68 Y69A65-C67 VanDerWaalsContact C-N 3.33Å; A65-C67 PolarHBondContact O-N 3.26Å; A65-I68 HydrophobicContact CB-CG1 4.13Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 PolarHBondContact O-N 2.78Å; A65-Y69 PolarHBondContact O-N 2.78Å
66P97.2Very high96.2Very high1 Ų127.3 Ų27.31%0.00614%0.136CC..Hα-helixtrans-47.5-46.5175.8-2833.1000114.7L14 L18 D53 I68 Y69 S70L14-P66 HydrophobicContact CD1-CB 4.22Å; L14-P66 HydrophobicContact CD1-CG 4.19Å; L14-P66 HydrophobicContact CD2-CB 4.07Å; L14-P66 HydrophobicContact CD2-CG 3.64Å; L14-P66 HydrophobicContact CG-CB 4.43Å; L14-P66 HydrophobicContact CG-CG 4.41Å; L18-P66 HydrophobicContact CD1-CB 3.6Å; L18-P66 HydrophobicContact CD2-CB 4.36Å; D53-P66 VanDerWaalsContact OD1-CD 3.24Å; D53-P66 WeakPolarHBondContact OD1-CD 3.3Å; P66-I68 PolarHBondContact O-N 2.69Å; P66-Y69 PolarHBondContact O-N 2.99Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 2.91Å; P66-S70 PolarHBondContact O-OG 2.95Å
67C96.6Very high96.4Very high4 Ų431.6 Ų31.63%0.02716%0.157CC..Hα-helixtrans-59.2-33.417862.50000113.2A4 L18 Y23 D53 A65 S70 E71A4-C67 HydrophobicContact CB-CB 3.95Å; L18-C67 HydrophobicContact CD2-CB 3.95Å; Y23-C67 HydrophobicContact CD1-CB 3.64Å; Y23-C67 HydrophobicContact CE1-CB 3.77Å; Y23-C67 HydrophobicContact CG-CB 4.09Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.48Å; D53-C67 PolarHBondContact OD1-N 3.47Å; D53-C67 PolarHBondContact OD1-SG 2.91Å; D53-C67 PolarHBondContact OD2-SG 2.61Å; A65-C67 VanDerWaalsContact C-N 3.33Å; A65-C67 PolarHBondContact O-N 3.26Å; C67-S70 WeakPolarHBondContact O-CB 3.22Å; C67-S70 PolarHBondContact O-N 2.89Å; C67-E71 PolarHBondContact O-N 2.8Å; C67-E71 VanDerWaalsContact O-N 3.11Å
68I96.8Very high96.6Very high5 Ų523.7 Ų23.73%0.02613%0.129CC..Hα-helixtrans-74.8-42.7179.2-57.1-61.1000110.8M1 A65 P66 S70 V72 I212 V214 F216M1-I68 HydrophobicContact CE-CD1 3.78Å; M1-I68 HydrophobicContact CE-CG1 3.72Å; M1-I68 HydrophobicContact CE-CG2 4.12Å; M1-I68 HydrophobicContact SD-CD1 3.73Å; M1-I68 HydrophobicContact SD-CG1 4.15Å; A65-I68 HydrophobicContact CB-CG1 4.13Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 PolarHBondContact O-N 2.78Å; P66-I68 PolarHBondContact O-N 2.69Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 3.31Å; I68-V72 WeakPolarHBondContact O-CB 3.45Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 2.85Å; I68-I212 HydrophobicContact CD1-CD1 3.73Å; I68-V214 HydrophobicContact CD1-CG1 3.98Å; I68-F216 HydrophobicContact CG2-CE2 4.29Å; I68-F216 HydrophobicContact CG2-CZ 3.75Å
69Y97.8Very high96.7Very high15 Ų1524.1 Ų24.16%0.05913%0.131CC..Hα-helixtrans-64.8-32.9173.2-71.9-46000111.9S64 A65 P66 V72 M73 Y93 L94S64-Y69 VanDerWaalsContact CB-CZ 3.5Å; S64-Y69 PolarHBondContact N-OH 3.25Å; S64-Y69 VanDerWaalsContact O-CE2 3.32Å; S64-Y69 WeakPolarHBondContact O-CE2 3.35Å; A65-Y69 PolarHBondContact O-N 2.78Å; P66-Y69 PolarHBondContact O-N 2.99Å; Y69-V72 PolarHBondContact O-N 3.41Å; Y69-M73 WeakPolarHBondContact O-CB 3.46Å; Y69-M73 WeakPolarHBondContact O-CG 3.3Å; Y69-M73 PolarHBondContact O-N 3.37Å; Y69-Y93 AromaticContact CD2-CD1 3.95Å; Y69-Y93 HydrophobicContact CD2-CD1 3.95Å; Y69-Y93 AromaticContact CD2-CE1 3.99Å; Y69-Y93 HydrophobicContact CD2-CE1 3.99Å; Y69-Y93 AromaticContact CE2-CD1 3.75Å; Y69-Y93 HydrophobicContact CE2-CD1 3.75Å; Y69-Y93 HydrophobicContact CE2-CE1 4.21Å; Y69-L94 HydrophobicContact CD1-CB 4.02Å; Y69-L94 HydrophobicContact CD1-CD1 3.96Å; Y69-L94 HydrophobicContact CD1-CD2 3.96Å; Y69-L94 HydrophobicContact CD1-CG 4.2Å; Y69-L94 HydrophobicContact CE1-CB 3.83Å; Y69-L94 HydrophobicContact CE1-CD2 4Å; Y69-L94 HydrophobicContact CE1-CG 4.35Å
70S97.7Very high96.8Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-62.9-55.8176.8-55.10000111.1Y23 I24 F33 P66 C67 I68 V72 M73 E74Y23-S70 WeakPolarHBondContact O-CB 3.42Å; I24-S70 WeakPolarHBondContact CG1-OG 3.47Å; F33-S70 WeakPolarHBondContact CZ-OG 3.29Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 2.91Å; P66-S70 PolarHBondContact O-OG 2.95Å; C67-S70 WeakPolarHBondContact O-CB 3.22Å; C67-S70 PolarHBondContact O-N 2.89Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 3.31Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.49Å; S70-M73 PolarHBondContact O-N 3.33Å; S70-E74 WeakPolarHBondContact O-CB 3.4Å; S70-E74 WeakPolarHBondContact O-CG 3.42Å; S70-E74 PolarHBondContact O-N 3.15Å
71E97.8Very high96.9Very high21 Ų2124.6 Ų24.610%0.09814%0.136CC..Hα-helixtrans-61.1-34175.8-83.2-66.5173.100112.8Y23 R25 C67 A75 L195 I211 I212Y23-E71 HydrophobicContact CD1-CG 3.96Å; Y23-E71 HydrophobicContact CE1-CG 4.32Å; R25-E71 IonicContact CZ-OE1 2.75Å; R25-E71 IonicContact CZ-OE2 3.75Å; R25-E71 IonicContact NH1-OE1 3.76Å; R25-E71 PolarHBondContact NH1-OE1 2.9Å; R25-E71 IonicContact NH1-OE2 3.86Å; R25-E71 VanDerWaalsContact NH2-CD 3.31Å; R25-E71 IonicContact NH2-OE1 2.78Å; R25-E71 PolarHBondContact NH2-OE1 2.94Å; R25-E71 IonicContact NH2-OE2 2.69Å; R25-E71 PolarHBondContact NH2-OE2 3.17Å; C67-E71 PolarHBondContact O-N 2.8Å; C67-E71 VanDerWaalsContact O-N 3.11Å; E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 2.94Å; E71-L195 HydrophobicContact CB-CD2 4.16Å; E71-I211 HydrophobicContact CG-CG2 4.47Å; E71-I212 HydrophobicContact CG-CD1 4.36Å
72V98.3Very high97.1Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-64.2-50.1174.2166.30000111.5I68 Y69 S70 A75 L76 L94 Y164 V188 L195I68-V72 WeakPolarHBondContact O-CB 3.45Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 2.85Å; Y69-V72 PolarHBondContact O-N 3.41Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.49Å; V72-A75 PolarHBondContact O-N 2.92Å; V72-L76 HydrophobicContact CG1-CD1 3.72Å; V72-L76 HydrophobicContact CG1-CG 4.41Å; V72-L76 VanDerWaalsContact O-CB 3.3Å; V72-L76 WeakPolarHBondContact O-CB 3.31Å; V72-L76 WeakPolarHBondContact O-CD1 3.28Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.88Å; V72-L94 HydrophobicContact CG1-CD2 4.17Å; V72-Y164 HydrophobicContact CB-CD2 4.36Å; V72-Y164 HydrophobicContact CB-CE2 4.17Å; V72-Y164 HydrophobicContact CG1-CD1 4.37Å; V72-Y164 HydrophobicContact CG1-CD2 3.44Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.44Å; V72-Y164 HydrophobicContact CG1-CE2 3.68Å; V72-Y164 HydrophobicContact CG1-CG 3.82Å; V72-Y164 HydrophobicContact CG2-CD2 3.89Å; V72-Y164 HydrophobicContact CG2-CE2 3.33Å; V72-V188 HydrophobicContact CG2-CG1 4.1Å; V72-L195 HydrophobicContact CG2-CD1 4.16Å; V72-L195 HydrophobicContact CG2-CD2 4.05Å
73M98.3Very high97.3Very high1 Ų121.5 Ų21.51%0.00512%0.122CC..Hα-helixtrans-67.3-39.6-177.6-73178.862.800112.5V29 A32 F33 Y69 S70 L78 L94 M97 I101V29-M73 HydrophobicContact CG1-CB 4.01Å; V29-M73 HydrophobicContact CG1-CE 4.35Å; V29-M73 HydrophobicContact CG2-CB 3.97Å; A32-M73 HydrophobicContact CB-CE 3.89Å; F33-M73 HydrophobicContact CD2-CE 4.47Å; F33-M73 HydrophobicContact CD2-SD 4.12Å; F33-M73 HydrophobicContact CE2-CE 4.43Å; F33-M73 HydrophobicContact CE2-SD 3.56Å; F33-M73 VanDerWaalsContact CE2-SD 3.56Å; F33-M73 HydrophobicContact CZ-SD 4.32Å; Y69-M73 WeakPolarHBondContact O-CB 3.46Å; Y69-M73 WeakPolarHBondContact O-CG 3.3Å; Y69-M73 PolarHBondContact O-N 3.37Å; S70-M73 PolarHBondContact O-N 3.33Å; M73-L78 HydrophobicContact CB-CD1 4.37Å; M73-L78 HydrophobicContact CG-CD1 4.36Å; M73-L94 HydrophobicContact CG-CD1 3.57Å; M73-L94 HydrophobicContact SD-CD1 3.75Å; M73-M97 HydrophobicContact CE-CB 3.9Å; M73-M97 HydrophobicContact SD-CB 4.02Å; M73-M97 HydrophobicContact SD-CE 3.72Å; M73-M97 HydrophobicContact SD-SD 4.13Å; M73-I101 HydrophobicContact CE-CD1 3.51Å
74E98.3Very high97.5Very high24 Ų2421.5 Ų21.511%0.11212%0.122CC..Hα-helixtrans-62.5-52172.2-75.5-76.8147.100111.8R25 T26 V29 S70 L76 E77R25-E74 WeakPolarHBondContact CB-OE2 3.29Å; R25-E74 IonicContact CZ-OE2 3.29Å; R25-E74 PolarHBondContact N-OE1 2.85Å; R25-E74 IonicContact NE-OE2 3.6Å; R25-E74 PolarHBondContact NE-OE2 2.83Å; R25-E74 VanDerWaalsContact NE-OE2 3.14Å; R25-E74 VanDerWaalsContact NH2-CB 3.31Å; R25-E74 IonicContact NH2-OE2 2.69Å; T26-E74 WeakPolarHBondContact CB-OE1 3.01Å; T26-E74 PolarHBondContact N-OE1 3.1Å; T26-E74 PolarHBondContact OG1-OE1 3.06Å; V29-E74 HydrophobicContact CG2-CG 4.3Å; S70-E74 WeakPolarHBondContact O-CB 3.4Å; S70-E74 WeakPolarHBondContact O-CG 3.42Å; S70-E74 PolarHBondContact O-N 3.15Å; E74-L76 PolarHBondContact O-N 2.98Å; E74-E77 PolarHBondContact O-N 3.49Å; E74-E77 VanDerWaalsContact O-N 3.08Å
75A98.4Very high97.6Very high9 Ų921.2 Ų21.27%0.07412%0.121CC..Hα-helixtrans-64.8-26.7-179.400000112.9E71 V72 E77 V188 K197 I211E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 2.94Å; V72-A75 PolarHBondContact O-N 2.92Å; A75-E77 VanDerWaalsContact C-N 3.32Å; A75-E77 PolarHBondContact O-N 3.05Å; A75-V188 HydrophobicContact CB-CG2 3.92Å; A75-K197 HydrophobicContact CB-CD 4.28Å; A75-K197 WeakPolarHBondContact O-CD 3.29Å; A75-K197 VanDerWaalsContact O-CE 3.3Å; A75-K197 WeakPolarHBondContact O-CE 3.23Å; A75-K197 PolarHBondContact O-NZ 3.13Å; A75-I211 HydrophobicContact CB-CD1 3.61Å
76L98.5Very high97.7Very high0 Ų021.3 Ų21.30%012%0.121CC..THydrogen-bonded Turntrans-72.9-12.5174.3-76.4168.4000114.1V72 E74 L78 F84 R162 V188V72-L76 HydrophobicContact CG1-CD1 3.72Å; V72-L76 HydrophobicContact CG1-CG 4.41Å; V72-L76 VanDerWaalsContact O-CB 3.3Å; V72-L76 WeakPolarHBondContact O-CB 3.31Å; V72-L76 WeakPolarHBondContact O-CD1 3.28Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 2.88Å; E74-L76 PolarHBondContact O-N 2.98Å; L76-L78 HydrophobicContact CB-CD1 4.25Å; L76-L78 HydrophobicContact CB-CD2 4.14Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.22Å; L76-F84 HydrophobicContact CD1-CE2 3.8Å; L76-F84 HydrophobicContact CD1-CZ 4.43Å; L76-R162 HydrophobicContact CD2-CB 4.26Å; L76-R162 WeakPolarHBondContact O-CD 3.5Å; L76-R162 PolarHBondContact O-NE 3.35Å; L76-V188 HydrophobicContact CD2-CB 4.26Å; L76-V188 HydrophobicContact CD2-CG2 3.85Å; L76-V188 HydrophobicContact CG-CB 4.4Å; L76-V188 HydrophobicContact CG-CG2 3.94Å
77E98.1Very high97.8Very high115 Ų11521.3 Ų21.354%0.53712%0.121SC..THydrogen-bonded Turntrans44.559.6179.8-64.2171.9-15500112.7E74 A75 R162 I186 K197E74-E77 PolarHBondContact O-N 3.49Å; E74-E77 VanDerWaalsContact O-N 3.08Å; A75-E77 VanDerWaalsContact C-N 3.32Å; A75-E77 PolarHBondContact O-N 3.05Å; E77-R162 PolarHBondContact O-NE 3.11Å; E77-R162 PolarHBondContact O-NH2 3.4Å; E77-I186 HydrophobicContact CB-CD1 3.91Å; E77-I186 HydrophobicContact CG-CD1 4.16Å; E77-K197 IonicContact OE1-NZ 3.56Å; E77-K197 PolarHBondContact OE1-NZ 2.87Å
78L98.3Very high97.8Very high12 Ų1222.6 Ų22.66%0.06314%0.135CC..  trans-78.1138.1-174-66.3163.5000111.5M73 L76 V98 I101 R162M73-L78 HydrophobicContact CB-CD1 4.37Å; M73-L78 HydrophobicContact CG-CD1 4.36Å; L76-L78 HydrophobicContact CB-CD1 4.25Å; L76-L78 HydrophobicContact CB-CD2 4.14Å; L76-L78 HydrophobicContact CB-CG 3.83Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.22Å; L78-V98 HydrophobicContact CD1-CB 4.43Å; L78-V98 HydrophobicContact CD1-CG1 4.16Å; L78-V98 HydrophobicContact CD1-CG2 3.75Å; L78-V98 HydrophobicContact CD2-CG1 4Å; L78-I101 HydrophobicContact CB-CB 4.37Å; L78-I101 HydrophobicContact CB-CD1 4.38Å; L78-I101 HydrophobicContact CB-CG2 3.68Å; L78-I101 HydrophobicContact CD1-CD1 4.21Å; L78-R162 HydrophobicContact CD2-CB 4.41Å; L78-R162 HydrophobicContact CD2-CG 4.1Å
79H96.6Very high97.7Very high91 Ų9122.6 Ų22.642%0.42114%0.135SC..  trans-147.8164.3172.170.969.8000111.5L82H79-L82 WeakPolarHBondContact CE1-CD2 3.44Å; H79-L82 VanDerWaalsContact CE1-CG 3.49Å; H79-L82 WeakPolarHBondContact CE1-CG 3.47Å; H79-L82 WeakPolarHBondContact O-CG 3.49Å
80P97.3Very high97.6Very high87 Ų8722.3 Ų22.357%0.56514%0.137SC*.THydrogen-bonded Turntrans-56143.3-178.9-28.335.5000113.8L82 I101 L102P80-L82 VanDerWaalsContact C-N 3.35Å; P80-L82 PolarHBondContact O-N 2.84Å; P80-I101 WeakPolarHBondContact CA-O 3.45Å; P80-I101 WeakPolarHBondContact CG-O 3.46Å; P80-L102 CarbonylContact C-O 3.56Å; P80-L102 VanDerWaalsContact CA-O 3.26Å; P80-L102 WeakPolarHBondContact CA-O 3.48Å
81G95.6Very high97.6Very high42 Ų4222.4 Ų22.443%0.43314%0.137SC..THydrogen-bonded Turntrans81.8-2176.400000116.4L102G81-L102 PolarHBondContact N-O 3.02Å
82L97.8Very high97.6Very high16 Ų1621.4 Ų21.48%0.08413%0.133CC..  trans-72.4160.6173.8-66.1-177.3000112.6H79 P80 L102 G106 V107 D161 R162H79-L82 WeakPolarHBondContact CE1-CD2 3.44Å; H79-L82 VanDerWaalsContact CE1-CG 3.49Å; H79-L82 WeakPolarHBondContact CE1-CG 3.47Å; H79-L82 WeakPolarHBondContact O-CG 3.49Å; P80-L82 VanDerWaalsContact C-N 3.35Å; P80-L82 PolarHBondContact O-N 2.84Å; L82-L102 HydrophobicContact CB-CD2 3.67Å; L82-G106 CarbonylContact O-C 3.56Å; L82-G106 WeakPolarHBondContact O-CA 3.22Å; L82-V107 PolarHBondContact O-N 3.14Å; L82-D161 HydrophobicContact CB-CB 4.29Å; L82-D161 HydrophobicContact CD2-CB 3.8Å; L82-D161 HydrophobicContact CG-CB 4.48Å; L82-R162 HydrophobicContact CD1-CG 3.83Å
83S98.1Very high97.6Very high3 Ų321.5 Ų21.52%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-104.6123.5168.2570000111.8V107 D161 R162 K182S83-V107 CarbonylContact C-O 3.58Å; S83-V107 WeakPolarHBondContact CA-O 3.33Å; S83-D161 WeakPolarHBondContact CB-OD2 3.47Å; S83-D161 PolarHBondContact N-OD2 3.38Å; S83-D161 PolarHBondContact O-N 3.26Å; S83-D161 PolarHBondContact OG-N 2.92Å; S83-D161 PolarHBondContact OG-OD2 3.03Å; S83-R162 PolarHBondContact O-N 3.11Å; S83-K182 WeakPolarHBondContact OG-CE 3.43Å; S83-K182 PolarHBondContact OG-NZ 3.47Å
84F98.6Very high97.6Very high0 Ų021.6 Ų21.60%013%0.134CC..EExtended strand (participates in β ladder)trans-115.5143.5-178.1176.2-120.6000111.8L76 N86 V98 L102 V107 H109 Y160 R162L76-F84 HydrophobicContact CD1-CE2 3.8Å; L76-F84 HydrophobicContact CD1-CZ 4.43Å; F84-N86 HydrophobicContact CE1-CB 3.73Å; F84-N86 HydrophobicContact CZ-CB 3.9Å; F84-V98 HydrophobicContact CB-CG1 4.17Å; F84-V98 HydrophobicContact CD1-CB 4.11Å; F84-V98 HydrophobicContact CD1-CG1 3.49Å; F84-V98 VanDerWaalsContact CD1-CG1 3.49Å; F84-V98 HydrophobicContact CD1-CG2 4.4Å; F84-V98 HydrophobicContact CE1-CB 4.04Å; F84-V98 HydrophobicContact CE1-CG1 3.88Å; F84-V98 HydrophobicContact CE1-CG2 3.93Å; F84-V98 HydrophobicContact CG-CG1 3.82Å; F84-V98 HydrophobicContact CZ-CG2 4.16Å; F84-L102 HydrophobicContact CB-CD1 3.84Å; F84-V107 PolarHBondContact N-O 2.71Å; F84-H109 PolarHBondContact O-N 2.75Å; F84-Y160 VanDerWaalsContact C-CD1 3.5Å; F84-Y160 WeakPolarHBondContact O-CD1 3.35Å; F84-Y160 WeakPolarHBondContact O-CE1 3.24Å; F84-R162 CarbonylContact C-O 3.56Å; F84-R162 VanDerWaalsContact CA-O 3.29Å; F84-R162 WeakPolarHBondContact CA-O 3.46Å; F84-R162 HydrophobicContact CB-CB 4.36Å; F84-R162 HydrophobicContact CD2-CB 3.85Å
85L98.5Very high97.6Very high0 Ų020.4 Ų20.40%013%0.128CC..EExtended strand (participates in β ladder)trans-128.1127.1171.5176.561.8000110.2L87 H109 I111 I153 Y160 R162 V163 Y164 L180 L235L85-L87 HydrophobicContact CD1-CD2 3.97Å; L85-L87 HydrophobicContact CD2-CD2 3.73Å; L85-L87 HydrophobicContact CD2-CG 4.49Å; L85-L87 HydrophobicContact CG-CD2 3.64Å; L85-L87 HydrophobicContact CG-CG 4.29Å; L85-H109 CarbonylContact C-O 3.52Å; L85-H109 WeakPolarHBondContact CA-O 3.29Å; L85-H109 HydrophobicContact CD1-CB 4.14Å; L85-I111 HydrophobicContact CD1-CD1 4.39Å; L85-I111 HydrophobicContact CD1-CG1 4.43Å; L85-I153 HydrophobicContact CD2-CD1 4.38Å; L85-Y160 HydrophobicContact CB-CD1 3.76Å; L85-Y160 HydrophobicContact CB-CD2 3.79Å; L85-Y160 HydrophobicContact CB-CE1 3.93Å; L85-Y160 HydrophobicContact CB-CE2 3.98Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE2 4.45Å; L85-Y160 HydrophobicContact CD2-CD2 3.77Å; L85-Y160 HydrophobicContact CD2-CE2 3.66Å; L85-Y160 HydrophobicContact CG-CD2 4.38Å; L85-Y160 HydrophobicContact CG-CE2 4.26Å; L85-R162 PolarHBondContact N-O 3.11Å; L85-V163 HydrophobicContact CB-CG2 4.29Å; L85-V163 CarbonylContact O-C 3.5Å; L85-V163 WeakPolarHBondContact O-CA 3.49Å; L85-Y164 PolarHBondContact O-N 2.86Å; L85-L180 HydrophobicContact CD2-CD1 4.11Å; L85-L235 HydrophobicContact CD1-CD1 4.43Å; L85-L235 HydrophobicContact CD1-CD2 3.67Å; L85-L235 HydrophobicContact CD2-CD1 4.44Å
86N98.4Very high97.6Very high2 Ų220 Ų201%0.01113%0.125CC..EExtended strand (participates in β ladder)trans-110112.7178.3-170.90.4000110.2F84 S89 S95 H109 G110 I111 Y164F84-N86 HydrophobicContact CE1-CB 3.73Å; F84-N86 HydrophobicContact CZ-CB 3.9Å; N86-S89 WeakPolarHBondContact ND2-CA 3.34Å; N86-S95 PolarHBondContact ND2-OG 2.92Å; N86-H109 PolarHBondContact N-O 2.78Å; N86-G110 CarbonylContact O-C 3.56Å; N86-G110 VanDerWaalsContact O-CA 3.31Å; N86-G110 WeakPolarHBondContact O-CA 3.34Å; N86-I111 PolarHBondContact O-N 2.85Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.34Å
87L97.7Very high97.6Very high0 Ų020 Ų200%013%0.125CC..EExtended strand (participates in β ladder)trans-99117.2-178.7-52.4179.7000110.1L85 I111 C150 I153 V163 Y164 C165 G166 M177 L180L85-L87 HydrophobicContact CD1-CD2 3.97Å; L85-L87 HydrophobicContact CD2-CD2 3.73Å; L85-L87 HydrophobicContact CD2-CG 4.49Å; L85-L87 HydrophobicContact CG-CD2 3.64Å; L85-L87 HydrophobicContact CG-CG 4.29Å; L87-I111 HydrophobicContact CD2-CB 4.47Å; L87-I111 HydrophobicContact CD2-CD1 4.13Å; L87-C150 HydrophobicContact CB-CB 3.98Å; L87-C150 HydrophobicContact CD1-CB 4.35Å; L87-C150 HydrophobicContact CD2-CB 3.9Å; L87-C150 HydrophobicContact CG-CB 4.3Å; L87-I153 HydrophobicContact CD2-CD1 4Å; L87-V163 HydrophobicContact CD1-CG1 4.13Å; L87-V163 HydrophobicContact CG-CG1 4.37Å; L87-Y164 PolarHBondContact N-O 3.5Å; L87-C165 HydrophobicContact CB-CB 4.2Å; L87-C165 HydrophobicContact CD1-CB 4.44Å; L87-C165 WeakPolarHBondContact O-CA 3.3Å; L87-G166 PolarHBondContact O-N 3.05Å; L87-M177 HydrophobicContact CD1-CE 4.09Å; L87-M177 HydrophobicContact CD1-SD 3.47Å; L87-M177 WeakPolarHBondContact CD1-SD 3.44Å; L87-L180 HydrophobicContact CD1-CD1 3.77Å
88G96.4Very high97.6Very high31 Ų3114.5 Ų14.532%0.3210%0.099SC..SBendtrans74.756.9-163.200000109.9G90 I111 E112G88-G90 PolarHBondContact O-N 2.84Å; G88-I111 WeakPolarHBondContact CA-O 3.43Å; G88-I111 PolarHBondContact N-O 3.4Å; G88-E112 WeakPolarHBondContact CA-OE2 3.31Å
89S96.1Very high97.6Very high6 Ų614 Ų144%0.04210%0.096CC..  trans-68-13.3-17256.30000114.6N86 G92 I111 E112 F145N86-S89 WeakPolarHBondContact ND2-CA 3.34Å; S89-G92 PolarHBondContact O-N 2.85Å; S89-G92 VanDerWaalsContact O-N 3.15Å; S89-I111 PolarHBondContact N-O 3.48Å; S89-E112 PolarHBondContact N-OE2 2.93Å; S89-F145 WeakPolarHBondContact OG-CD1 3.43Å
90G95.5Very high97.7Very high9 Ų910.1 Ų10.19%0.0938%0.079CC..THydrogen-bonded Turntrans54.8-139176.800000112G88 G92 E112 V117G88-G90 PolarHBondContact O-N 2.84Å; G90-G92 PolarHBondContact O-N 2.83Å; G90-E112 PolarHBondContact N-OE2 2.89Å; G90-V117 VanDerWaalsContact C-CG1 3.42Å; G90-V117 WeakPolarHBondContact O-CG1 3.37Å
91T96.6Very high97.7Very high1 Ų16.4 Ų6.41%0.0065%0.054CC..THydrogen-bonded Turntrans-68.74.9179.761.80000115Y41 I61 L63 Y93 Y120 A121Y41-T91 WeakPolarHBondContact CD1-O 3.34Å; Y41-T91 WeakPolarHBondContact CE1-O 3.49Å; I61-T91 HydrophobicContact CG2-CG2 3.6Å; L63-T91 HydrophobicContact CD1-CG2 3.38Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.46Å; T91-Y93 PolarHBondContact O-N 3.25Å; T91-Y120 HydrophobicContact CG2-CD1 3.61Å; T91-Y120 HydrophobicContact CG2-CE1 3.39Å; T91-A121 WeakPolarHBondContact O-CA 3.2Å
92G97.6Very high97.8Very high0 Ų04.4 Ų4.40%03%0.033CC..SBendtrans75.4-4.1-179.500000115.4S89 G90 L94 S95 T96S89-G92 PolarHBondContact O-N 2.85Å; S89-G92 VanDerWaalsContact O-N 3.15Å; G90-G92 PolarHBondContact O-N 2.83Å; G92-L94 PolarHBondContact O-N 2.92Å; G92-S95 CarbonylContact O-C 3.59Å; G92-S95 WeakPolarHBondContact O-CA 3.38Å; G92-S95 WeakPolarHBondContact O-CB 3.39Å; G92-S95 PolarHBondContact O-N 3.45Å; G92-T96 PolarHBondContact O-N 2.87Å; G92-T96 PolarHBondContact O-OG1 3.05Å
93Y98.4Very high97.7Very high2 Ų24 Ų41%0.0083%0.033CC..Hα-helixtrans-48.4-56.9-178.3178.4-115.6000112.9I36 R38 Y41 Y69 T91 S95 T96 M97I36-Y93 HydrophobicContact CB-CE2 4.3Å; I36-Y93 HydrophobicContact CG2-CD2 4.02Å; I36-Y93 HydrophobicContact CG2-CE2 3.82Å; R38-Y93 HydrophobicContact CB-CE2 4.31Å; Y41-Y93 HydrophobicContact CD1-CD2 4.17Å; Y41-Y93 HydrophobicContact CD1-CG 4.39Å; Y41-Y93 AromaticContact CD2-CD2 3.59Å; Y41-Y93 HydrophobicContact CD2-CD2 3.59Å; Y41-Y93 HydrophobicContact CD2-CE2 4.3Å; Y41-Y93 HydrophobicContact CE2-CD2 4.07Å; Y41-Y93 AromaticContact CG-CD2 3.65Å; Y41-Y93 HydrophobicContact CG-CD2 3.65Å; Y41-Y93 HydrophobicContact CG-CG 4.18Å; Y69-Y93 AromaticContact CD2-CD1 3.95Å; Y69-Y93 HydrophobicContact CD2-CD1 3.95Å; Y69-Y93 AromaticContact CD2-CE1 3.99Å; Y69-Y93 HydrophobicContact CD2-CE1 3.99Å; Y69-Y93 AromaticContact CE2-CD1 3.75Å; Y69-Y93 HydrophobicContact CE2-CD1 3.75Å; Y69-Y93 HydrophobicContact CE2-CE1 4.21Å; T91-Y93 PolarHBondContact O-N 3.25Å; Y93-S95 PolarHBondContact O-N 2.93Å; Y93-T96 PolarHBondContact O-N 2.91Å; Y93-T96 VanDerWaalsContact O-N 3.12Å; Y93-M97 HydrophobicContact CD1-CE 3.68Å; Y93-M97 HydrophobicContact CE1-CE 3.34Å; Y93-M97 HydrophobicContact CE1-SD 3.92Å; Y93-M97 HydrophobicContact CE2-SD 4.28Å; Y93-M97 HydrophobicContact CG-CE 4.41Å; Y93-M97 PolarHBondContact O-N 3.31Å
94L98.5Very high97.4Very high3 Ų34.4 Ų4.42%0.0164%0.035CC..Hα-helixtrans-59.3-43.9175.9178.665.8000112.1Y69 V72 M73 G92 T96 M97 V98 Y164Y69-L94 HydrophobicContact CD1-CB 4.02Å; Y69-L94 HydrophobicContact CD1-CD1 3.96Å; Y69-L94 HydrophobicContact CD1-CD2 3.96Å; Y69-L94 HydrophobicContact CD1-CG 4.2Å; Y69-L94 HydrophobicContact CE1-CB 3.83Å; Y69-L94 HydrophobicContact CE1-CD2 4Å; Y69-L94 HydrophobicContact CE1-CG 4.35Å; V72-L94 HydrophobicContact CG1-CD2 4.17Å; M73-L94 HydrophobicContact CG-CD1 3.57Å; M73-L94 HydrophobicContact SD-CD1 3.75Å; G92-L94 PolarHBondContact O-N 2.92Å; L94-T96 VanDerWaalsContact C-N 3.26Å; L94-T96 PolarHBondContact O-N 3.14Å; L94-M97 HydrophobicContact CD1-CE 4.17Å; L94-M97 PolarHBondContact O-N 3.06Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 HydrophobicContact CG-CG2 4.27Å; L94-V98 WeakPolarHBondContact O-CB 3.37Å; L94-V98 WeakPolarHBondContact O-CG2 3.49Å; L94-V98 PolarHBondContact O-N 2.92Å; L94-Y164 HydrophobicContact CD2-CD1 3.34Å; L94-Y164 HydrophobicContact CD2-CE1 3.5Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.5Å; L94-Y164 HydrophobicContact CD2-CG 4.12Å
95S98.5Very high97.2Very high0 Ų010.3 Ų10.30%06%0.061CC..Hα-helixtrans-63.1-31.8177.5-79.90000112.4N86 G92 Y93 G99 N108N86-S95 PolarHBondContact ND2-OG 2.92Å; G92-S95 CarbonylContact O-C 3.59Å; G92-S95 WeakPolarHBondContact O-CA 3.38Å; G92-S95 WeakPolarHBondContact O-CB 3.39Å; G92-S95 PolarHBondContact O-N 3.45Å; Y93-S95 PolarHBondContact O-N 2.93Å; S95-G99 PolarHBondContact O-N 3.23Å; S95-N108 PolarHBondContact O-ND2 3.25Å
96T98.4Very high97Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-72.8-45.2176.6-43.50000110.4I36 Y41 G92 Y93 L94 V98 G99 L100 L125 F128 F140I36-T96 VanDerWaalsContact CD1-C 3.48Å; I36-T96 HydrophobicContact CD1-CG2 3.47Å; I36-T96 VanDerWaalsContact CD1-CG2 3.47Å; Y41-T96 WeakPolarHBondContact OH-CB 3.43Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.31Å; Y41-T96 PolarHBondContact OH-OG1 2.8Å; G92-T96 PolarHBondContact O-N 2.87Å; G92-T96 PolarHBondContact O-OG1 3.05Å; Y93-T96 PolarHBondContact O-N 2.91Å; Y93-T96 VanDerWaalsContact O-N 3.12Å; L94-T96 VanDerWaalsContact C-N 3.26Å; L94-T96 PolarHBondContact O-N 3.14Å; T96-V98 PolarHBondContact O-N 2.83Å; T96-G99 WeakPolarHBondContact O-CA 3.49Å; T96-G99 PolarHBondContact O-N 3.18Å; T96-L100 PolarHBondContact O-N 2.9Å; T96-L125 HydrophobicContact CG2-CD1 4.03Å; T96-F128 HydrophobicContact CG2-CD1 3.58Å; T96-F128 HydrophobicContact CG2-CE1 3.82Å; T96-F128 HydrophobicContact CG2-CG 4.2Å; T96-F140 HydrophobicContact CG2-CE2 3.92Å; T96-F140 HydrophobicContact CG2-CZ 3.83Å
97M98.4Very high96.9Very high0 Ų010.9 Ų10.90%07%0.066CC..Hα-helixtrans-59.3-46.6174.3-70-169.2-66.400112A32 F33 I36 M73 Y93 L94 G99 L100A32-M97 HydrophobicContact CB-CB 4.33Å; F33-M97 HydrophobicContact CD1-SD 3.89Å; F33-M97 HydrophobicContact CD2-SD 3.98Å; F33-M97 HydrophobicContact CE1-CE 4.22Å; F33-M97 HydrophobicContact CE1-SD 4.1Å; F33-M97 HydrophobicContact CE2-CE 4.33Å; F33-M97 HydrophobicContact CE2-SD 4.18Å; F33-M97 HydrophobicContact CG-SD 3.85Å; F33-M97 HydrophobicContact CZ-CE 4.08Å; F33-M97 HydrophobicContact CZ-SD 4.24Å; I36-M97 HydrophobicContact CB-CG 4.27Å; I36-M97 HydrophobicContact CD1-CB 4.36Å; I36-M97 HydrophobicContact CD1-CG 3.81Å; I36-M97 HydrophobicContact CG1-CG 4.26Å; M73-M97 HydrophobicContact CE-CB 3.9Å; M73-M97 HydrophobicContact SD-CB 4.02Å; M73-M97 HydrophobicContact SD-CE 3.72Å; M73-M97 HydrophobicContact SD-SD 4.13Å; Y93-M97 HydrophobicContact CD1-CE 3.68Å; Y93-M97 HydrophobicContact CE1-CE 3.34Å; Y93-M97 HydrophobicContact CE1-SD 3.92Å; Y93-M97 HydrophobicContact CE2-SD 4.28Å; Y93-M97 HydrophobicContact CG-CE 4.41Å; Y93-M97 PolarHBondContact O-N 3.31Å; L94-M97 HydrophobicContact CD1-CE 4.17Å; L94-M97 PolarHBondContact O-N 3.06Å; M97-G99 PolarHBondContact O-N 3.41Å; M97-L100 WeakPolarHBondContact O-CB 3.42Å; M97-L100 PolarHBondContact O-N 3.38Å; M97-L100 VanDerWaalsContact O-N 3.15Å
98V98.6Very high96.9Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-60.8-35.5174.21750000110.9L78 F84 L94 T96 L100 I101 L102L78-V98 HydrophobicContact CD1-CB 4.43Å; L78-V98 HydrophobicContact CD1-CG1 4.16Å; L78-V98 HydrophobicContact CD1-CG2 3.75Å; L78-V98 HydrophobicContact CD2-CG1 4Å; F84-V98 HydrophobicContact CB-CG1 4.17Å; F84-V98 HydrophobicContact CD1-CB 4.11Å; F84-V98 HydrophobicContact CD1-CG1 3.49Å; F84-V98 VanDerWaalsContact CD1-CG1 3.49Å; F84-V98 HydrophobicContact CD1-CG2 4.4Å; F84-V98 HydrophobicContact CE1-CB 4.04Å; F84-V98 HydrophobicContact CE1-CG1 3.88Å; F84-V98 HydrophobicContact CE1-CG2 3.93Å; F84-V98 HydrophobicContact CG-CG1 3.82Å; F84-V98 HydrophobicContact CZ-CG2 4.16Å; L94-V98 HydrophobicContact CD1-CG2 4.09Å; L94-V98 HydrophobicContact CG-CG2 4.27Å; L94-V98 WeakPolarHBondContact O-CB 3.37Å; L94-V98 WeakPolarHBondContact O-CG2 3.49Å; L94-V98 PolarHBondContact O-N 2.92Å; T96-V98 PolarHBondContact O-N 2.83Å; V98-L100 VanDerWaalsContact C-N 3.28Å; V98-L100 PolarHBondContact O-N 3.23Å; V98-I101 PolarHBondContact O-N 3.28Å; V98-I101 VanDerWaalsContact O-N 3.1Å; V98-L102 HydrophobicContact CG1-CD1 3.73Å; V98-L102 HydrophobicContact CG1-CG 3.83Å; V98-L102 WeakPolarHBondContact O-CG 3.44Å; V98-L102 PolarHBondContact O-N 2.7Å
99G98.2Very high97Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-56.5-37.7174.700000113.9S95 T96 M97 G103 N108 C141S95-G99 PolarHBondContact O-N 3.23Å; T96-G99 WeakPolarHBondContact O-CA 3.49Å; T96-G99 PolarHBondContact O-N 3.18Å; M97-G99 PolarHBondContact O-N 3.41Å; G99-G103 PolarHBondContact O-N 3.47Å; G99-N108 WeakPolarHBondContact CA-ND2 3.48Å; G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.29Å; G99-C141 PolarHBondContact O-N 2.84Å
100L97.8Very high97.1Very high11 Ų119.9 Ų9.96%0.0585%0.052CC..Hα-helixtrans-69.9-29.2176.8-58.4175000113.1A35 I36 T96 M97 V98 F128 F138 F140A35-L100 HydrophobicContact CB-CD1 3.51Å; I36-L100 HydrophobicContact CD1-CD1 3.69Å; I36-L100 HydrophobicContact CD1-CG 4.3Å; I36-L100 HydrophobicContact CG1-CD1 3.64Å; T96-L100 PolarHBondContact O-N 2.9Å; M97-L100 WeakPolarHBondContact O-CB 3.42Å; M97-L100 PolarHBondContact O-N 3.38Å; M97-L100 VanDerWaalsContact O-N 3.15Å; V98-L100 VanDerWaalsContact C-N 3.28Å; V98-L100 PolarHBondContact O-N 3.23Å; L100-F128 HydrophobicContact CD1-CZ 4.37Å; L100-F128 HydrophobicContact CD2-CE1 4.17Å; L100-F128 HydrophobicContact CD2-CZ 3.91Å; L100-F138 HydrophobicContact CB-CB 4.47Å; L100-F138 HydrophobicContact CB-CD1 3.85Å; L100-F138 HydrophobicContact CB-CE1 4.38Å; L100-F138 HydrophobicContact CB-CG 4.19Å; L100-F138 HydrophobicContact CD1-CD2 4.44Å; L100-F138 HydrophobicContact CD1-CG 4.42Å; L100-F138 HydrophobicContact CD2-CB 3.53Å; L100-F138 HydrophobicContact CD2-CD1 4.31Å; L100-F138 HydrophobicContact CD2-CD2 4.17Å; L100-F138 HydrophobicContact CD2-CG 3.75Å; L100-F138 HydrophobicContact CG-CD1 4.47Å; L100-F138 HydrophobicContact CG-CG 4.34Å; L100-F140 HydrophobicContact CD2-CD2 3.64Å; L100-F140 HydrophobicContact CD2-CE2 4.15Å; L100-F140 HydrophobicContact CG-CD2 4.26Å; L100-F140 HydrophobicContact CG-CE2 4.48Å
101I98.2Very high97.2Very high8 Ų89.4 Ų9.44%0.0415%0.048CC..Hα-helixtrans-83.3-35.8177.9-56.2177.6000111.3L28 A32 M73 L78 P80 V98L28-I101 WeakPolarHBondContact O-CD1 3.35Å; A32-I101 HydrophobicContact CB-CD1 3.93Å; A32-I101 HydrophobicContact CB-CG1 3.88Å; M73-I101 HydrophobicContact CE-CD1 3.51Å; L78-I101 HydrophobicContact CB-CB 4.37Å; L78-I101 HydrophobicContact CB-CD1 4.38Å; L78-I101 HydrophobicContact CB-CG2 3.68Å; L78-I101 HydrophobicContact CD1-CD1 4.21Å; P80-I101 WeakPolarHBondContact CA-O 3.45Å; P80-I101 WeakPolarHBondContact CG-O 3.46Å; V98-I101 PolarHBondContact O-N 3.28Å; V98-I101 VanDerWaalsContact O-N 3.1Å
102L97.8Very high97.2Very high1 Ų110.4 Ų10.41%0.0055%0.052CC..Hα-helixtrans-73-33.5-177.8-71.7-175.7000114P80 G81 L82 F84 V98 V107 N108 C141P80-L102 CarbonylContact C-O 3.56Å; P80-L102 VanDerWaalsContact CA-O 3.26Å; P80-L102 WeakPolarHBondContact CA-O 3.48Å; G81-L102 PolarHBondContact N-O 3.02Å; L82-L102 HydrophobicContact CB-CD2 3.67Å; F84-L102 HydrophobicContact CB-CD1 3.84Å; V98-L102 HydrophobicContact CG1-CD1 3.73Å; V98-L102 HydrophobicContact CG1-CG 3.83Å; V98-L102 WeakPolarHBondContact O-CG 3.44Å; V98-L102 PolarHBondContact O-N 2.7Å; L102-V107 WeakPolarHBondContact CD1-O 3.21Å; L102-N108 HydrophobicContact CD1-CB 4.07Å; L102-C141 HydrophobicContact CB-CB 3.68Å; L102-C141 HydrophobicContact CD1-CB 4.48Å
103G94.9Very high97.1Very high7 Ų713.6 Ų13.67%0.0727%0.069CC..  trans63.5174.7-177.300000114.9G99 F105 G106 E139 C141G99-G103 PolarHBondContact O-N 3.47Å; G103-F105 PolarHBondContact O-N 3.1Å; G103-G106 PolarHBondContact O-N 2.92Å; G103-E139 WeakPolarHBondContact CA-O 3.45Å; G103-C141 WeakPolarHBondContact O-CB 3.48Å
104P92.9Very high97Very high11 Ų1116.3 Ų16.37%0.0718%0.081CC..THydrogen-bonded Turntrans-63.4-14.2-164.623-35.3000115.7E139 F140 R241 I249P104-E139 HydrophobicContact CG-CB 4.44Å; P104-F140 WeakPolarHBondContact CA-O 3.38Å; P104-R241 PolarHBondContact O-NE 3.27Å; P104-R241 PolarHBondContact O-NH2 2.91Å; P104-I249 HydrophobicContact CB-CD1 3.6Å; P104-I249 HydrophobicContact CB-CG1 3.94Å; P104-I249 HydrophobicContact CB-CG2 4.22Å; P104-I249 HydrophobicContact CG-CD1 4.33Å; P104-I249 HydrophobicContact CG-CG1 4.31Å; P104-I249 HydrophobicContact CG-CG2 3.71Å
105F93Very high96.9Very high125 Ų12518.8 Ų18.855%0.54810%0.102SC..THydrogen-bonded Turntrans-101.2-2.5178.2-55.7-66.4000114G103 L246 I249G103-F105 PolarHBondContact O-N 3.1Å; F105-L246 HydrophobicContact CE1-CD2 3.87Å; F105-I249 HydrophobicContact CZ-CG2 4.39Å
106G95.5Very high96.9Very high4 Ų422.6 Ų22.64%0.04112%0.123CC..SBendtrans-74.8-175.2168.700000112.5L82 G103 C141L82-G106 CarbonylContact O-C 3.56Å; L82-G106 WeakPolarHBondContact O-CA 3.22Å; G103-G106 PolarHBondContact O-N 2.92Å; G106-C141 PolarHBondContact O-SG 3.28Å
107V96.6Very high96.8Very high10 Ų1022.6 Ų22.66%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-137.1131.8170.5177.70000109L82 S83 F84 L102 H109 Y238L82-V107 PolarHBondContact O-N 3.14Å; S83-V107 CarbonylContact C-O 3.58Å; S83-V107 WeakPolarHBondContact CA-O 3.33Å; F84-V107 PolarHBondContact N-O 2.71Å; L102-V107 WeakPolarHBondContact CD1-O 3.21Å; V107-H109 VanDerWaalsContact CG1-CE1 3.44Å; V107-H109 WeakPolarHBondContact CG1-CE1 3.23Å; V107-H109 VanDerWaalsContact CG1-NE2 3.32Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.42Å; V107-Y238 HydrophobicContact CG2-CD2 3.27Å; V107-Y238 HydrophobicContact CG2-CE2 3.5Å; V107-Y238 VanDerWaalsContact CG2-CE2 3.5Å; V107-Y238 HydrophobicContact CG2-CG 4.24Å
108N97.8Very high96.8Very high3 Ų323.1 Ų23.12%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-133.297.2-170-173.62.2000108.5S95 G99 L102 C141 P143 S144S95-N108 PolarHBondContact O-ND2 3.25Å; G99-N108 WeakPolarHBondContact CA-ND2 3.48Å; L102-N108 HydrophobicContact CD1-CB 4.07Å; N108-C141 HydrophobicContact CB-CB 4.28Å; N108-C141 VanDerWaalsContact CB-SG 3.57Å; N108-C141 PolarHBondContact ND2-O 2.9Å; N108-P143 HydrophobicContact CB-CB 4.46Å; N108-P143 WeakPolarHBondContact O-CA 3.46Å; N108-S144 PolarHBondContact O-N 3.08Å
109H97.9Very high96.7Very high12 Ų1229 Ų296%0.05615%0.153CC..EExtended strand (participates in β ladder)trans-113.4142.9-178.3-64.8165.6000111F84 L85 N86 V107 S144 Y160 L235 P236F84-H109 PolarHBondContact O-N 2.75Å; L85-H109 CarbonylContact C-O 3.52Å; L85-H109 WeakPolarHBondContact CA-O 3.29Å; L85-H109 HydrophobicContact CD1-CB 4.14Å; N86-H109 PolarHBondContact N-O 2.78Å; V107-H109 VanDerWaalsContact CG1-CE1 3.44Å; V107-H109 WeakPolarHBondContact CG1-CE1 3.23Å; V107-H109 VanDerWaalsContact CG1-NE2 3.32Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.42Å; H109-S144 WeakPolarHBondContact CA-O 3.47Å; H109-Y160 HydrophobicContact CB-CE1 4.29Å; H109-Y160 AromaticContact ND1-CE1 3.75Å; H109-Y160 AromaticContact ND1-CZ 3.72Å; H109-Y160 PolarHBondContact ND1-OH 2.73Å; H109-L235 HydrophobicContact CB-CD2 4.03Å; H109-P236 PolarHBondContact CE1-O 3.32Å
110G97.6Very high96.7Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-125.8148.1171.900000112.1N86 S144 F145 V146N86-G110 CarbonylContact O-C 3.56Å; N86-G110 VanDerWaalsContact O-CA 3.31Å; N86-G110 WeakPolarHBondContact O-CA 3.34Å; G110-S144 PolarHBondContact N-O 2.94Å; G110-F145 CarbonylContact O-C 3.56Å; G110-F145 WeakPolarHBondContact O-CA 3.3Å; G110-V146 PolarHBondContact O-N 3.35Å
111I97.3Very high96.7Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-121.3130.9167.9-63.7173.2000107.5L85 N86 L87 G88 S89 V146 G148 C150 I153 L235L85-I111 HydrophobicContact CD1-CD1 4.39Å; L85-I111 HydrophobicContact CD1-CG1 4.43Å; N86-I111 PolarHBondContact O-N 2.85Å; L87-I111 HydrophobicContact CD2-CB 4.47Å; L87-I111 HydrophobicContact CD2-CD1 4.13Å; G88-I111 WeakPolarHBondContact CA-O 3.43Å; G88-I111 PolarHBondContact N-O 3.4Å; S89-I111 PolarHBondContact N-O 3.48Å; I111-V146 WeakPolarHBondContact CA-O 3.36Å; I111-G148 VanDerWaalsContact CG2-O 3.29Å; I111-G148 WeakPolarHBondContact CG2-O 3.43Å; I111-C150 HydrophobicContact CG2-CB 4.33Å; I111-I153 HydrophobicContact CD1-CD1 3.55Å; I111-I153 HydrophobicContact CD1-CG1 3.45Å; I111-I153 VanDerWaalsContact CD1-CG1 3.45Å; I111-L235 HydrophobicContact CD1-CD1 4.4Å; I111-L235 HydrophobicContact CD1-CD2 3.8Å; I111-L235 HydrophobicContact CD1-CG 4.09Å; I111-L235 HydrophobicContact CG1-CD2 3.88Å
112E97.1Very high96.7Very high21 Ų2133.1 Ų33.110%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-135.9142.4175.2175.652.6-111.600109.3G88 S89 G90 H114 V117 I118 V146 V147 G148G88-E112 WeakPolarHBondContact CA-OE2 3.31Å; S89-E112 PolarHBondContact N-OE2 2.93Å; G90-E112 PolarHBondContact N-OE2 2.89Å; E112-H114 IonicContact OE1-CD2 2.76Å; E112-H114 PolarHBondContact OE1-N 2.9Å; E112-V117 HydrophobicContact CG-CB 3.96Å; E112-V117 HydrophobicContact CG-CG1 3.88Å; E112-I118 HydrophobicContact CB-CD1 3.75Å; E112-I118 HydrophobicContact CB-CG1 3.76Å; E112-I118 HydrophobicContact CG-CG1 4.18Å; E112-V146 PolarHBondContact N-O 3.47Å; E112-V147 CarbonylContact O-C 3.56Å; E112-V147 WeakPolarHBondContact O-CA 3.36Å; E112-G148 CarbonylContact C-O 3.34Å; E112-G148 PolarHBondContact O-N 3.45Å
113L95.9Very high96.7Very high67 Ų6738 Ų3835%0.35119%0.191SC..SBendtrans-75-30.7-175.2-178.865.9000111.6G148 N149 V220L113-G148 WeakPolarHBondContact CA-O 3.41Å; L113-N149 HydrophobicContact CD1-CB 4.37Å; L113-V220 HydrophobicContact CD2-CB 3.84Å; L113-V220 HydrophobicContact CD2-CG1 3.92Å; L113-V220 HydrophobicContact CD2-CG2 3.95Å
114H96.4Very high96.8Very high59 Ų5939 Ų3927%0.27319%0.193SC..  trans-101120.3-171.9-69.2-90.3000111.8N60 E112 V117 I118N60-H114 HydrophobicContact CB-CB 4.23Å; N60-H114 PolarHBondContact ND2-ND1 2.93Å; N60-H114 PolarHBondContact OD1-CE1 3.4Å; E112-H114 IonicContact OE1-CD2 2.76Å; E112-H114 PolarHBondContact OE1-N 2.9Å; H114-V117 HydrophobicContact CB-CB 3.9Å; H114-V117 HydrophobicContact CB-CG2 3.56Å; H114-V117 PolarHBondContact O-N 3.44Å; H114-I118 PolarHBondContact O-N 3.28Å
115A96.4Very high97Very high55 Ų5538.8 Ų38.846%0.45519%0.191SC..Hα-helixtrans-68.2-38.3-177.200000112.3V117 I118 E119 V147A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.71Å; A115-I118 PolarHBondContact O-N 2.95Å; A115-E119 PolarHBondContact O-N 3.22Å; A115-V147 HydrophobicContact CB-CG1 4.03Å; A115-V147 HydrophobicContact CB-CG2 4.15Å
116D97.3Very high97.1Very high80 Ų8036.4 Ų36.443%0.42818%0.184SC..Hα-helixtrans-57.7-37.5171.949-61.8000112.5N60 Y120N60-D116 WeakPolarHBondContact CB-OD2 3.48Å; N60-D116 PolarHBondContact ND2-OD2 3.49Å; D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 2.91Å; D116-Y120 VanDerWaalsContact O-N 3.07Å
117V97.5Very high97.1Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-74.1-31.4177.1-179.40000111.5N60 I61 G90 E112 H114 A115 A121N60-V117 HydrophobicContact CB-CG2 3.55Å; I61-V117 HydrophobicContact CG1-CG2 4.22Å; G90-V117 VanDerWaalsContact C-CG1 3.42Å; G90-V117 WeakPolarHBondContact O-CG1 3.37Å; E112-V117 HydrophobicContact CG-CB 3.96Å; E112-V117 HydrophobicContact CG-CG1 3.88Å; H114-V117 HydrophobicContact CB-CB 3.9Å; H114-V117 HydrophobicContact CB-CG2 3.56Å; H114-V117 PolarHBondContact O-N 3.44Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.71Å; V117-A121 WeakPolarHBondContact O-CB 3.37Å; V117-A121 PolarHBondContact O-N 2.88Å
118I97.2Very high97.1Very high11 Ų1138.2 Ų38.26%0.05620%0.196CC..Hα-helixtrans-71.4-39.7172.5-81.2172.8000112.1E112 H114 A115 Y120 A121 Y122 F145 V146 V147E112-I118 HydrophobicContact CB-CD1 3.75Å; E112-I118 HydrophobicContact CB-CG1 3.76Å; E112-I118 HydrophobicContact CG-CG1 4.18Å; H114-I118 PolarHBondContact O-N 3.28Å; A115-I118 PolarHBondContact O-N 2.95Å; I118-Y120 VanDerWaalsContact C-N 3.34Å; I118-A121 PolarHBondContact O-N 3.1Å; I118-Y122 HydrophobicContact CG2-CD2 3.7Å; I118-Y122 HydrophobicContact CG2-CE2 3.6Å; I118-Y122 VanDerWaalsContact O-CD2 3.3Å; I118-Y122 WeakPolarHBondContact O-CD2 3.15Å; I118-Y122 PolarHBondContact O-N 2.96Å; I118-F145 HydrophobicContact CD1-CB 4.11Å; I118-F145 HydrophobicContact CG1-CB 3.99Å; I118-F145 HydrophobicContact CG2-CB 4.18Å; I118-V146 WeakPolarHBondContact CD1-O 3.39Å; I118-V147 HydrophobicContact CB-CG2 4.38Å; I118-V147 HydrophobicContact CD1-CB 4.15Å; I118-V147 HydrophobicContact CD1-CG2 3.61Å; I118-V147 HydrophobicContact CG2-CG2 4.39Å
119E97.8Very high96.8Very high125 Ų12538.9 Ų38.958%0.58420%0.199SC*.Hα-helixtrans-58.9-48.7173.4-175.3173.8179.300110.4A115 A121 Y122 Q123A115-E119 PolarHBondContact O-N 3.22Å; E119-A121 PolarHBondContact O-N 3.44Å; E119-Y122 PolarHBondContact O-N 2.88Å; E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.24Å; E119-Q123 PolarHBondContact O-N 3.15Å
120Y98.1Very high96.4Very high17 Ų1743 Ų437%0.06722%0.217CC..Hα-helixtrans-58.8-42.1173.3-174.7-88.8000112.9Y41 Y42 L43 I61 T91 D116 I118 Y122 Q123 K124Y41-Y120 PolarHBondContact O-OH 2.77Å; Y42-Y120 PolarHBondContact O-OH 2.93Å; L43-Y120 HydrophobicContact CD2-CE2 3.83Å; L43-Y120 HydrophobicContact CG-CE2 4.23Å; L43-Y120 PolarHBondContact N-OH 3.45Å; I61-Y120 HydrophobicContact CD1-CD1 4.09Å; I61-Y120 HydrophobicContact CD1-CD2 3.64Å; I61-Y120 HydrophobicContact CD1-CE1 4.22Å; I61-Y120 HydrophobicContact CD1-CE2 3.78Å; I61-Y120 HydrophobicContact CD1-CG 3.77Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å; I61-Y120 HydrophobicContact CG1-CG 4.45Å; T91-Y120 HydrophobicContact CG2-CD1 3.61Å; T91-Y120 HydrophobicContact CG2-CE1 3.39Å; D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 2.91Å; D116-Y120 VanDerWaalsContact O-N 3.07Å; I118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-Y122 PolarHBondContact O-N 2.81Å; Y120-Q123 WeakPolarHBondContact O-CB 3.13Å; Y120-Q123 PolarHBondContact O-N 3.23Å; Y120-K124 HydrophobicContact CD1-CG 4.04Å; Y120-K124 HydrophobicContact CE1-CD 4.44Å; Y120-K124 HydrophobicContact CE1-CG 3.69Å; Y120-K124 WeakPolarHBondContact O-CG 3.36Å; Y120-K124 PolarHBondContact O-N 3.33Å; Y120-K124 WeakPolarHBondContact OH-CE 3.21Å
121A98.1Very high96Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-62.8-40.2177.800000112.7T91 V117 I118 E119 L125 F145T91-A121 WeakPolarHBondContact O-CA 3.2Å; V117-A121 WeakPolarHBondContact O-CB 3.37Å; V117-A121 PolarHBondContact O-N 2.88Å; I118-A121 PolarHBondContact O-N 3.1Å; E119-A121 PolarHBondContact O-N 3.44Å; A121-L125 VanDerWaalsContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 2.94Å; A121-F145 HydrophobicContact CB-CD2 4.21Å; A121-F145 HydrophobicContact CB-CE2 3.98Å; A121-F145 HydrophobicContact CB-CZ 4.32Å
122Y98.2Very high95.6Very high87 Ų8747 Ų4734%0.34124%0.242SC..Hα-helixtrans-69.9-36.4173.4-77.8-63000112.4I118 E119 Y120 L125 D126 F145I118-Y122 HydrophobicContact CG2-CD2 3.7Å; I118-Y122 HydrophobicContact CG2-CE2 3.6Å; I118-Y122 VanDerWaalsContact O-CD2 3.3Å; I118-Y122 WeakPolarHBondContact O-CD2 3.15Å; I118-Y122 PolarHBondContact O-N 2.96Å; E119-Y122 PolarHBondContact O-N 2.88Å; Y120-Y122 PolarHBondContact O-N 2.81Å; Y122-L125 HydrophobicContact CD1-CD2 4.1Å; Y122-L125 HydrophobicContact CE1-CD2 4.47Å; Y122-L125 PolarHBondContact O-N 2.89Å; Y122-D126 VanDerWaalsContact O-CB 3.28Å; Y122-D126 WeakPolarHBondContact O-CB 3.37Å; Y122-D126 PolarHBondContact O-N 3.46Å; Y122-F145 HydrophobicContact CD1-CD2 4.14Å; Y122-F145 HydrophobicContact CD2-CD2 4.34Å; Y122-F145 AromaticContact CE1-CD2 3.8Å; Y122-F145 HydrophobicContact CE1-CD2 3.8Å; Y122-F145 HydrophobicContact CE1-CE2 4.46Å; Y122-F145 HydrophobicContact CE2-CB 4.03Å; Y122-F145 HydrophobicContact CE2-CD2 4.03Å; Y122-F145 HydrophobicContact CG-CD2 4.4Å; Y122-F145 AromaticContact CZ-CD2 3.75Å; Y122-F145 PolarHBondContact OH-N 3.4Å; Y122-F145 PolarHBondContact OH-O 3.32Å
123Q97.7Very high95.1Very high104 Ų10448.8 Ų48.849%0.48625%0.253SS..Hα-helixtrans-61-46.7173.8-71.3168.52.700112E119 Y120 D126 S127E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.24Å; E119-Q123 PolarHBondContact O-N 3.15Å; Y120-Q123 WeakPolarHBondContact O-CB 3.13Å; Y120-Q123 PolarHBondContact O-N 3.23Å; Q123-D126 PolarHBondContact O-N 3.33Å; Q123-S127 WeakPolarHBondContact O-CB 3.39Å; Q123-S127 PolarHBondContact O-N 3.01Å
124K97.4Very high94.8Very high29 Ų2946.6 Ų46.613%0.12624%0.243CC..Hα-helixtrans-69.5-34.8178.1-62-52-160.3157.80112.6D40 Y41 Y42 Y120 F128D40-K124 WeakPolarHBondContact O-CD 3.43Å; D40-K124 WeakPolarHBondContact O-CE 3.42Å; D40-K124 PolarHBondContact O-NZ 3.01Å; Y41-K124 HydrophobicContact CD1-CB 3.77Å; Y41-K124 HydrophobicContact CD1-CG 4.26Å; Y41-K124 HydrophobicContact CE1-CB 3.63Å; Y41-K124 HydrophobicContact CG-CB 4.36Å; Y42-K124 WeakPolarHBondContact O-CE 3.01Å; Y42-K124 PolarHBondContact O-NZ 3.02Å; Y120-K124 HydrophobicContact CD1-CG 4.04Å; Y120-K124 HydrophobicContact CE1-CD 4.44Å; Y120-K124 HydrophobicContact CE1-CG 3.69Å; Y120-K124 WeakPolarHBondContact O-CG 3.36Å; Y120-K124 PolarHBondContact O-N 3.33Å; Y120-K124 WeakPolarHBondContact OH-CE 3.21Å; K124-F128 WeakPolarHBondContact O-CB 3.46Å; K124-F128 PolarHBondContact O-N 3.4Å
125L96.8Very high94.5Very high5 Ų543.9 Ų43.93%0.02623%0.23CC..Hα-helixtrans-63.7-46.8172176.767.3000112.6T96 A121 Y122 S127 F128 I129 F140 E142 P143T96-L125 HydrophobicContact CG2-CD1 4.03Å; A121-L125 VanDerWaalsContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 2.94Å; Y122-L125 HydrophobicContact CD1-CD2 4.1Å; Y122-L125 HydrophobicContact CE1-CD2 4.47Å; Y122-L125 PolarHBondContact O-N 2.89Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-F128 PolarHBondContact O-N 2.84Å; L125-I129 HydrophobicContact CD1-CD1 4.03Å; L125-I129 HydrophobicContact CD1-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 2.76Å; L125-F140 HydrophobicContact CD1-CE1 4.02Å; L125-F140 HydrophobicContact CD1-CZ 3.73Å; L125-E142 HydrophobicContact CD2-CG 4.22Å; L125-P143 HydrophobicContact CD1-CG 3.98Å; L125-P143 HydrophobicContact CD2-CG 3.87Å
126D95.6Very high94.1Very high75 Ų7541.5 Ų41.540%0.40121%0.21SC..Hα-helixtrans-64.2-40.6178.6-179.872.9000111.3Y122 Q123 I129 K130Y122-D126 VanDerWaalsContact O-CB 3.28Å; Y122-D126 WeakPolarHBondContact O-CB 3.37Å; Y122-D126 PolarHBondContact O-N 3.46Å; Q123-D126 PolarHBondContact O-N 3.33Å; D126-I129 PolarHBondContact O-N 3.12Å; D126-K130 WeakPolarHBondContact O-CB 3.37Å; D126-K130 WeakPolarHBondContact O-CG 3.46Å; D126-K130 PolarHBondContact O-N 2.93Å; D126-K130 WeakPolarHBondContact OD1-CE 3.17Å; D126-K130 IonicContact OD1-NZ 2.66Å; D126-K130 PolarHBondContact OD1-NZ 3.35Å; D126-K130 WeakPolarHBondContact OD2-CE 3.45Å; D126-K130 IonicContact OD2-NZ 3.47Å; D126-K130 PolarHBondContact OD2-NZ 3.15Å
127S94.9Very high93.8Very high45 Ų4544 Ų4432%0.31522%0.217SC..Hα-helixtrans-55.7-56.3168.7-174.30000110.9Q123 L125 I129 K130 T131Q123-S127 WeakPolarHBondContact O-CB 3.39Å; Q123-S127 PolarHBondContact O-N 3.01Å; L125-S127 VanDerWaalsContact C-N 3.35Å; S127-I129 VanDerWaalsContact C-N 3.31Å; S127-I129 PolarHBondContact O-N 2.8Å; S127-K130 CarbonylContact O-C 3.55Å; S127-K130 PolarHBondContact O-N 3.41Å; S127-T131 PolarHBondContact O-N 3.19Å; S127-T131 PolarHBondContact O-OG1 2.94Å
128F95.2Very high93.5Very high7 Ų745.7 Ų45.73%0.03122%0.224CC..Hα-helixtrans-53.5-44.1179.8171.3-106.6000113.3I36 T96 L100 K124 L125 K130 S132 F135 F140I36-F128 HydrophobicContact CD1-CE2 4.29Å; I36-F128 HydrophobicContact CD1-CZ 4.2Å; I36-F128 HydrophobicContact CG1-CD2 4.39Å; I36-F128 HydrophobicContact CG1-CE2 3.83Å; I36-F128 HydrophobicContact CG1-CZ 4.09Å; T96-F128 HydrophobicContact CG2-CD1 3.58Å; T96-F128 HydrophobicContact CG2-CE1 3.82Å; T96-F128 HydrophobicContact CG2-CG 4.2Å; L100-F128 HydrophobicContact CD1-CZ 4.37Å; L100-F128 HydrophobicContact CD2-CE1 4.17Å; L100-F128 HydrophobicContact CD2-CZ 3.91Å; K124-F128 WeakPolarHBondContact O-CB 3.46Å; K124-F128 PolarHBondContact O-N 3.4Å; L125-F128 PolarHBondContact O-N 2.84Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.01Å; F128-S132 VanDerWaalsContact O-CB 3.23Å; F128-S132 WeakPolarHBondContact O-CB 3.5Å; F128-S132 PolarHBondContact O-N 2.89Å; F128-F135 HydrophobicContact CD1-CD2 4.42Å; F128-F135 AromaticContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CZ-CB 4.38Å; F128-F135 HydrophobicContact CZ-CD2 4.39Å; F128-F140 HydrophobicContact CE1-CE2 4.25Å; F128-F140 HydrophobicContact CE1-CZ 4.32Å
129I92.4Very high93.3Very high17 Ų1747.4 Ų47.49%0.08723%0.232CC..Hα-helixtrans-65.8-33.8178.2-67.1167.3000111.8L125 D126 S127 F135 F140 E142 Y417 R419L125-I129 HydrophobicContact CD1-CD1 4.03Å; L125-I129 HydrophobicContact CD1-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 2.76Å; D126-I129 PolarHBondContact O-N 3.12Å; S127-I129 VanDerWaalsContact C-N 3.31Å; S127-I129 PolarHBondContact O-N 2.8Å; I129-F135 HydrophobicContact CB-CE2 4.38Å; I129-F135 HydrophobicContact CG1-CD2 4.26Å; I129-F135 HydrophobicContact CG1-CE2 3.9Å; I129-F135 HydrophobicContact CG1-CZ 4.46Å; I129-F135 HydrophobicContact CG2-CE1 4.28Å; I129-F135 HydrophobicContact CG2-CE2 4.24Å; I129-F135 HydrophobicContact CG2-CZ 3.99Å; I129-F140 HydrophobicContact CD1-CE1 4.19Å; I129-F140 HydrophobicContact CG1-CE1 4.27Å; I129-E142 HydrophobicContact CD1-CG 4.44Å; I129-Y417 HydrophobicContact CG2-CD1 3.95Å; I129-Y417 HydrophobicContact CG2-CG 4.45Å; I129-R419 VanDerWaalsContact O-CD 3.31Å; I129-R419 WeakPolarHBondContact O-CD 3.46Å
130K89.8Confident93.1Very high98 Ų9842 Ų4243%0.42621%0.207SC..Hα-helixtrans-87.6-47.2-176.6-73.1172.5-179.4165.40113.7D126 S127 F128 R419D126-K130 WeakPolarHBondContact O-CB 3.37Å; D126-K130 WeakPolarHBondContact O-CG 3.46Å; D126-K130 PolarHBondContact O-N 2.93Å; D126-K130 WeakPolarHBondContact OD1-CE 3.17Å; D126-K130 IonicContact OD1-NZ 2.66Å; D126-K130 PolarHBondContact OD1-NZ 3.35Å; D126-K130 WeakPolarHBondContact OD2-CE 3.45Å; D126-K130 IonicContact OD2-NZ 3.47Å; D126-K130 PolarHBondContact OD2-NZ 3.15Å; S127-K130 CarbonylContact O-C 3.55Å; S127-K130 PolarHBondContact O-N 3.41Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.01Å; K130-R419 PolarHBondContact O-NE 3.22Å; K130-R419 PolarHBondContact O-NH2 3Å; K130-R419 VanDerWaalsContact O-NH2 3.15Å
131T88.5Confident93Very high63 Ų6341.3 Ų41.339%0.38720%0.204SC..Hα-helixtrans-95.4-37.9-167.465.20000112.9S127 D133 R419 K421S127-T131 PolarHBondContact O-N 3.19Å; S127-T131 PolarHBondContact O-OG1 2.94Å; T131-D133 PolarHBondContact O-N 3.24Å; T131-R419 PolarHBondContact O-NH2 2.99Å; T131-R419 VanDerWaalsContact O-NH2 3.07Å; T131-K421 VanDerWaalsContact O-CE 3.28Å; T131-K421 WeakPolarHBondContact O-CE 3.48Å; T131-K421 PolarHBondContact O-NZ 3.13Å
132S90.4Very high92.8Very high22 Ų2245.8 Ų45.815%0.15423%0.225CC..  trans-73125.1-171.5-173.70000113F128 S134 F135 R419F128-S132 VanDerWaalsContact O-CB 3.23Å; F128-S132 WeakPolarHBondContact O-CB 3.5Å; F128-S132 PolarHBondContact O-N 2.89Å; S132-S134 PolarHBondContact O-N 3.38Å; S132-S134 PolarHBondContact OG-N 2.95Å; S132-F135 VanDerWaalsContact O-CB 3.3Å; S132-F135 WeakPolarHBondContact O-CB 3.43Å; S132-F135 PolarHBondContact O-N 3.13Å; S132-R419 PolarHBondContact O-NH1 3.16Å; S132-R419 PolarHBondContact O-NH2 2.97Å
133D85.9Confident92.8Very high59 Ų5941.8 Ų41.832%0.31621%0.21SC..THydrogen-bonded Turntrans-80.3-9.5175-59.1-43000113T131 F135 R419 K421T131-D133 PolarHBondContact O-N 3.24Å; D133-F135 VanDerWaalsContact C-N 3.31Å; D133-R419 IonicContact OD1-CZ 3.32Å; D133-R419 IonicContact OD1-NH1 3.4Å; D133-R419 PolarHBondContact OD1-NH1 2.66Å; D133-R419 IonicContact OD1-NH2 2.66Å; D133-R419 PolarHBondContact OD1-NH2 3.22Å; D133-K421 IonicContact OD1-NZ 3.06Å; D133-K421 PolarHBondContact OD1-NZ 3.17Å; D133-K421 IonicContact OD2-NZ 2.7Å; D133-K421 PolarHBondContact OD2-NZ 3.32Å
134S88.8Confident92.7Very high20 Ų2038.9 Ų38.914%0.1420%0.201CC..THydrogen-bonded Turntrans-70.1-25.9165.1-73.10000112.3A35 S132 D136 K137 F138A35-S134 VanDerWaalsContact O-CB 3.28Å; A35-S134 WeakPolarHBondContact O-CB 3.43Å; S132-S134 PolarHBondContact O-N 3.38Å; S132-S134 PolarHBondContact OG-N 2.95Å; S134-D136 VanDerWaalsContact C-N 3.3Å; S134-D136 PolarHBondContact O-N 3.43Å; S134-K137 WeakPolarHBondContact O-CA 3.48Å; S134-K137 VanDerWaalsContact O-CB 3.29Å; S134-K137 WeakPolarHBondContact O-CB 3.37Å; S134-K137 PolarHBondContact O-N 3.1Å; S134-K137 PolarHBondContact OG-NZ 2.77Å; S134-F138 WeakPolarHBondContact O-CD2 3.48Å
135F90Very high92.7Very high2 Ų238 Ų381%0.00920%0.197CC..G310 helixtrans-55.2-41.7177.3178.9-102.5000113.3F128 I129 S132 D133 K137 F138 F140 Y417F128-F135 HydrophobicContact CD1-CD2 4.42Å; F128-F135 AromaticContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CE1-CD2 3.88Å; F128-F135 HydrophobicContact CZ-CB 4.38Å; F128-F135 HydrophobicContact CZ-CD2 4.39Å; I129-F135 HydrophobicContact CB-CE2 4.38Å; I129-F135 HydrophobicContact CG1-CD2 4.26Å; I129-F135 HydrophobicContact CG1-CE2 3.9Å; I129-F135 HydrophobicContact CG1-CZ 4.46Å; I129-F135 HydrophobicContact CG2-CE1 4.28Å; I129-F135 HydrophobicContact CG2-CE2 4.24Å; I129-F135 HydrophobicContact CG2-CZ 3.99Å; S132-F135 VanDerWaalsContact O-CB 3.3Å; S132-F135 WeakPolarHBondContact O-CB 3.43Å; S132-F135 PolarHBondContact O-N 3.13Å; D133-F135 VanDerWaalsContact C-N 3.31Å; F135-K137 PolarHBondContact O-N 3.03Å; F135-F138 PolarHBondContact O-N 3.28Å; F135-F140 HydrophobicContact CE2-CB 4.23Å; F135-F140 AromaticContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CE1 4.4Å; F135-F140 HydrophobicContact CE2-CG 4.17Å; F135-Y417 HydrophobicContact CE1-CD1 4.14Å; F135-Y417 AromaticContact CE1-CD2 3.79Å; F135-Y417 HydrophobicContact CE1-CD2 3.79Å; F135-Y417 HydrophobicContact CE1-CE1 4.45Å; F135-Y417 HydrophobicContact CE1-CE2 4.13Å; F135-Y417 AromaticContact CE1-CG 3.79Å; F135-Y417 HydrophobicContact CE1-CG 3.79Å; F135-Y417 AromaticContact CZ-CD1 3.79Å; F135-Y417 HydrophobicContact CZ-CD1 3.79Å; F135-Y417 HydrophobicContact CZ-CD2 4.04Å; F135-Y417 AromaticContact CZ-CE1 3.77Å; F135-Y417 HydrophobicContact CZ-CE1 3.77Å; F135-Y417 HydrophobicContact CZ-CE2 4.03Å; F135-Y417 AromaticContact CZ-CG 3.92Å; F135-Y417 HydrophobicContact CZ-CG 3.92Å; F135-Y417 AromaticContact CZ-CZ 3.88Å
136D89.4Confident92.7Very high6 Ų639 Ų393%0.03220%0.204CC..G310 helixtrans-74.7-4.9177.8-78.3-44.6000114S134 R252 R256 N396 L398 R419S134-D136 VanDerWaalsContact C-N 3.3Å; S134-D136 PolarHBondContact O-N 3.43Å; D136-R252 IonicContact OD1-CZ 3.94Å; D136-R252 IonicContact OD1-NH1 3.14Å; D136-R252 PolarHBondContact OD1-NH1 2.93Å; D136-R252 IonicContact OD1-NH2 3.93Å; D136-R252 PolarHBondContact OD1-NH2 2.84Å; D136-R256 PolarHBondContact O-NH1 2.96Å; D136-N396 PolarHBondContact OD2-ND2 3.26Å; D136-L398 HydrophobicContact CB-CB 4.36Å; D136-L398 HydrophobicContact CB-CD2 4.04Å; D136-L398 WeakPolarHBondContact O-CD2 3.41Å; D136-R419 IonicContact OD2-CZ 3.4Å; D136-R419 IonicContact OD2-NH1 3.37Å; D136-R419 PolarHBondContact OD2-NH1 3.4Å
137K90.1Very high92.7Very high133 Ų13338.3 Ų38.358%0.57820%0.202SC*.G310 helixtrans-85.4-22170.9-53174.3-166.9161.40112.7S134 F135S134-K137 WeakPolarHBondContact O-CA 3.48Å; S134-K137 VanDerWaalsContact O-CB 3.29Å; S134-K137 WeakPolarHBondContact O-CB 3.37Å; S134-K137 PolarHBondContact O-N 3.1Å; S134-K137 PolarHBondContact OG-NZ 2.77Å; F135-K137 PolarHBondContact O-N 3.03Å
138F91.9Very high92.7Very high34 Ų3436.6 Ų36.615%0.14919%0.191CC..SBendtrans-114.2153-172.1-68.8-95000115.4R31 A35 L100 S134 F135 R256R31-F138 HydrophobicContact CB-CE1 4.35Å; R31-F138 HydrophobicContact CB-CZ 4.12Å; R31-F138 WeakPolarHBondContact O-CZ 3.4Å; A35-F138 HydrophobicContact CB-CD2 4.06Å; A35-F138 HydrophobicContact CB-CE2 3.33Å; A35-F138 HydrophobicContact CB-CZ 3.67Å; L100-F138 HydrophobicContact CB-CB 4.47Å; L100-F138 HydrophobicContact CB-CD1 3.85Å; L100-F138 HydrophobicContact CB-CE1 4.38Å; L100-F138 HydrophobicContact CB-CG 4.19Å; L100-F138 HydrophobicContact CD1-CD2 4.44Å; L100-F138 HydrophobicContact CD1-CG 4.42Å; L100-F138 HydrophobicContact CD2-CB 3.53Å; L100-F138 HydrophobicContact CD2-CD1 4.31Å; L100-F138 HydrophobicContact CD2-CD2 4.17Å; L100-F138 HydrophobicContact CD2-CG 3.75Å; L100-F138 HydrophobicContact CG-CD1 4.47Å; L100-F138 HydrophobicContact CG-CG 4.34Å; S134-F138 WeakPolarHBondContact O-CD2 3.48Å; F135-F138 PolarHBondContact O-N 3.28Å; F138-R256 VanDerWaalsContact C-NH1 3.35Å; F138-R256 VanDerWaalsContact O-CZ 3.23Å; F138-R256 PolarHBondContact O-NH1 3.27Å; F138-R256 PolarHBondContact O-NH2 3.44Å
139E91.4Very high92.7Very high47 Ų4736.8 Ų36.822%0.2219%0.193CC..  trans-88.1126.3161.3-71.8-60.8157.500107.9G103 P104 H253 R256G103-E139 WeakPolarHBondContact CA-O 3.45Å; P104-E139 HydrophobicContact CG-CB 4.44Å; E139-H253 IonicContact OE1-ND1 3.16Å; E139-R256 IonicContact OE1-CZ 3.04Å; E139-R256 IonicContact OE1-NE 3.7Å; E139-R256 PolarHBondContact OE1-NE 2.87Å; E139-R256 IonicContact OE1-NH2 2.79Å; E139-R256 PolarHBondContact OE1-NH2 3.35Å; E139-R256 IonicContact OE2-NH2 2.9Å; E139-R256 PolarHBondContact OE2-NH2 3.36Å
140F94.4Very high92.7Very high11 Ų1136.5 Ų36.55%0.04819%0.192CC..  trans-120.5133.1-161.4-174.7-126.2000114.4T96 L100 P104 L125 F128 I129 F135 E142T96-F140 HydrophobicContact CG2-CE2 3.92Å; T96-F140 HydrophobicContact CG2-CZ 3.83Å; L100-F140 HydrophobicContact CD2-CD2 3.64Å; L100-F140 HydrophobicContact CD2-CE2 4.15Å; L100-F140 HydrophobicContact CG-CD2 4.26Å; L100-F140 HydrophobicContact CG-CE2 4.48Å; P104-F140 WeakPolarHBondContact CA-O 3.38Å; L125-F140 HydrophobicContact CD1-CE1 4.02Å; L125-F140 HydrophobicContact CD1-CZ 3.73Å; F128-F140 HydrophobicContact CE1-CE2 4.25Å; F128-F140 HydrophobicContact CE1-CZ 4.32Å; I129-F140 HydrophobicContact CD1-CE1 4.19Å; I129-F140 HydrophobicContact CG1-CE1 4.27Å; F135-F140 HydrophobicContact CE2-CB 4.23Å; F135-F140 AromaticContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CE1 4.4Å; F135-F140 HydrophobicContact CE2-CG 4.17Å; F140-E142 HydrophobicContact CD1-CB 4.11Å; F140-E142 VanDerWaalsContact CE1-CA 3.45Å; F140-E142 HydrophobicContact CE1-CB 3.84Å; F140-E142 HydrophobicContact CE1-CG 4.09Å
141C95.6Very high92.9Very high3 Ų332.8 Ų32.82%0.0218%0.177CC..  trans-97.490.3164.1-1640000110.4G99 L102 G103 G106 N108G99-C141 VanDerWaalsContact CA-O 3.24Å; G99-C141 WeakPolarHBondContact CA-O 3.29Å; G99-C141 PolarHBondContact O-N 2.84Å; L102-C141 HydrophobicContact CB-CB 3.68Å; L102-C141 HydrophobicContact CD1-CB 4.48Å; G103-C141 WeakPolarHBondContact O-CB 3.48Å; G106-C141 PolarHBondContact O-SG 3.28Å; N108-C141 HydrophobicContact CB-CB 4.28Å; N108-C141 VanDerWaalsContact CB-SG 3.57Å; N108-C141 PolarHBondContact ND2-O 2.9Å
142E95.3Very high93.1Very high94 Ų9431.4 Ų31.444%0.43917%0.166SC..  trans-50.7127.1173.5-163.8176.1147.600111.5L125 I129 F140L125-E142 HydrophobicContact CD2-CG 4.22Å; I129-E142 HydrophobicContact CD1-CG 4.44Å; F140-E142 HydrophobicContact CD1-CB 4.11Å; F140-E142 VanDerWaalsContact CE1-CA 3.45Å; F140-E142 HydrophobicContact CE1-CB 3.84Å; F140-E142 HydrophobicContact CE1-CG 4.09Å
143P97Very high93.2Very high3 Ų330.9 Ų30.92%0.01916%0.162CC..  trans-77.6144.5-18029.9-32.8000112N108 L125 F145N108-P143 HydrophobicContact CB-CB 4.46Å; N108-P143 WeakPolarHBondContact O-CA 3.46Å; L125-P143 HydrophobicContact CD1-CG 3.98Å; L125-P143 HydrophobicContact CD2-CG 3.87Å; P143-F145 HydrophobicContact CB-CE1 4.06Å; P143-F145 HydrophobicContact CB-CE2 4.04Å; P143-F145 HydrophobicContact CB-CZ 3.62Å; P143-F145 HydrophobicContact CG-CE2 3.81Å; P143-F145 HydrophobicContact CG-CZ 3.61Å
144S96.8Very high93.4Very high43 Ų4328.9 Ų28.930%0.30115%0.151SC..EExtended strand (participates in β ladder)trans-116.8118.9171.8-172.70000110.5N108 H109 G110 P236N108-S144 PolarHBondContact O-N 3.08Å; H109-S144 WeakPolarHBondContact CA-O 3.47Å; G110-S144 PolarHBondContact N-O 2.94Å; S144-P236 WeakPolarHBondContact OG-CG 3.19Å
145F96.9Very high93.1Very high11 Ų1133 Ų335%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-102.1139.6-175-54.3-70.2000112.2S89 G110 I118 A121 Y122 P143S89-F145 WeakPolarHBondContact OG-CD1 3.43Å; G110-F145 CarbonylContact O-C 3.56Å; G110-F145 WeakPolarHBondContact O-CA 3.3Å; I118-F145 HydrophobicContact CD1-CB 4.11Å; I118-F145 HydrophobicContact CG1-CB 3.99Å; I118-F145 HydrophobicContact CG2-CB 4.18Å; A121-F145 HydrophobicContact CB-CD2 4.21Å; A121-F145 HydrophobicContact CB-CE2 3.98Å; A121-F145 HydrophobicContact CB-CZ 4.32Å; Y122-F145 HydrophobicContact CD1-CD2 4.14Å; Y122-F145 HydrophobicContact CD2-CD2 4.34Å; Y122-F145 AromaticContact CE1-CD2 3.8Å; Y122-F145 HydrophobicContact CE1-CD2 3.8Å; Y122-F145 HydrophobicContact CE1-CE2 4.46Å; Y122-F145 HydrophobicContact CE2-CB 4.03Å; Y122-F145 HydrophobicContact CE2-CD2 4.03Å; Y122-F145 HydrophobicContact CG-CD2 4.4Å; Y122-F145 AromaticContact CZ-CD2 3.75Å; Y122-F145 PolarHBondContact OH-N 3.4Å; Y122-F145 PolarHBondContact OH-O 3.32Å; P143-F145 HydrophobicContact CB-CE1 4.06Å; P143-F145 HydrophobicContact CB-CE2 4.04Å; P143-F145 HydrophobicContact CB-CZ 3.62Å; P143-F145 HydrophobicContact CG-CE2 3.81Å; P143-F145 HydrophobicContact CG-CZ 3.61Å
146V96Very high92.9Very high27 Ų2740.5 Ų40.516%0.16421%0.213CC..EExtended strand (participates in β ladder)trans-124.1130.2178175.70000111.1G110 I111 E112 I118 G148 A233 P236G110-V146 PolarHBondContact O-N 3.35Å; I111-V146 WeakPolarHBondContact CA-O 3.36Å; E112-V146 PolarHBondContact N-O 3.47Å; I118-V146 WeakPolarHBondContact CD1-O 3.39Å; V146-G148 PolarHBondContact O-N 3.02Å; V146-A233 HydrophobicContact CG1-CB 4.46Å; V146-P236 HydrophobicContact CG2-CG 3.88Å
147V96.2Very high92.8Very high59 Ų5941.3 Ų41.336%0.35822%0.219SC..EExtended strand (participates in β ladder)trans-75.4116.3176.2-1720000110.3E112 A115 I118E112-V147 CarbonylContact O-C 3.56Å; E112-V147 WeakPolarHBondContact O-CA 3.36Å; A115-V147 HydrophobicContact CB-CG1 4.03Å; A115-V147 HydrophobicContact CB-CG2 4.15Å; I118-V147 HydrophobicContact CB-CG2 4.38Å; I118-V147 HydrophobicContact CD1-CB 4.15Å; I118-V147 HydrophobicContact CD1-CG2 3.61Å; I118-V147 HydrophobicContact CG2-CG2 4.39Å
148G94.7Very high92.8Very high9 Ų939.1 Ų39.19%0.09321%0.207CC..SBendtrans170.5177.7175.300000114.8I111 E112 L113 V146I111-G148 VanDerWaalsContact CG2-O 3.29Å; I111-G148 WeakPolarHBondContact CG2-O 3.43Å; E112-G148 CarbonylContact C-O 3.34Å; E112-G148 PolarHBondContact O-N 3.45Å; L113-G148 WeakPolarHBondContact CA-O 3.41Å; V146-G148 PolarHBondContact O-N 3.02Å
149N94.6Very high93Very high12 Ų1241.7 Ų41.76%0.06422%0.219CC..  trans-83.1129.4173.4-163.6-46.8000110.1L113 L151 E152 V220L113-N149 HydrophobicContact CD1-CB 4.37Å; N149-L151 PolarHBondContact O-N 2.84Å; N149-L151 WeakPolarHBondContact OD1-CB 3.49Å; N149-L151 PolarHBondContact OD1-N 2.96Å; N149-E152 HydrophobicContact CB-CB 4.34Å; N149-E152 HydrophobicContact CB-CG 4.25Å; N149-E152 PolarHBondContact O-N 2.93Å; N149-V220 PolarHBondContact ND2-O 3.43Å
150C94.1Very high93.3Very high11 Ų1139.4 Ų39.47%0.07421%0.209CC..G310 helixtrans-62.6-17175.863.80000114.8L87 I111 I153 Y176L87-C150 HydrophobicContact CB-CB 3.98Å; L87-C150 HydrophobicContact CD1-CB 4.35Å; L87-C150 HydrophobicContact CD2-CB 3.9Å; L87-C150 HydrophobicContact CG-CB 4.3Å; I111-C150 HydrophobicContact CG2-CB 4.33Å; C150-I153 WeakPolarHBondContact O-CD1 3.33Å; C150-I153 WeakPolarHBondContact O-CG1 3.47Å; C150-Y176 VanDerWaalsContact O-CE1 3.29Å; C150-Y176 WeakPolarHBondContact O-CE1 3.34Å; C150-Y176 PolarHBondContact O-OH 3.02Å
151L93.7Very high93.5Very high20 Ų2040.4 Ų40.411%0.10522%0.215CC..G310 helixtrans-86.4-2.9171.2-64.2178.4000113.4N149 H173 Y176 M177 L219 L221 P222N149-L151 PolarHBondContact O-N 2.84Å; N149-L151 WeakPolarHBondContact OD1-CB 3.49Å; N149-L151 PolarHBondContact OD1-N 2.96Å; L151-H173 HydrophobicContact CD2-CB 4.24Å; L151-Y176 VanDerWaalsContact C-OH 3.26Å; L151-Y176 HydrophobicContact CD2-CD1 3.69Å; L151-Y176 HydrophobicContact CD2-CE1 3.96Å; L151-Y176 HydrophobicContact CD2-CG 4.22Å; L151-Y176 PolarHBondContact O-OH 3.16Å; L151-M177 HydrophobicContact CD2-CE 3.9Å; L151-L219 HydrophobicContact CD1-CD2 3.88Å; L151-L219 HydrophobicContact CD2-CD2 3.88Å; L151-L219 HydrophobicContact CG-CD2 3.81Å; L151-L221 HydrophobicContact CD1-CD2 3.88Å; L151-P222 HydrophobicContact CB-CG 3.92Å
152E92.3Very high93.6Very high33 Ų3341 Ų4115%0.15422%0.217CC..G310 helixtrans-112.728.1177.4-65.4-175.1100.100112.3N149 P222 H224 P230 K231 M232 A233N149-E152 HydrophobicContact CB-CB 4.34Å; N149-E152 HydrophobicContact CB-CG 4.25Å; N149-E152 PolarHBondContact O-N 2.93Å; E152-P222 HydrophobicContact CG-CB 4.09Å; E152-P222 HydrophobicContact CG-CG 3.81Å; E152-H224 IonicContact OE1-CE1 3.84Å; E152-P230 WeakPolarHBondContact OE1-CA 3.34Å; E152-P230 WeakPolarHBondContact OE1-CB 3.46Å; E152-K231 PolarHBondContact OE1-N 2.99Å; E152-M232 CarbonylContact O-C 3.52Å; E152-M232 VanDerWaalsContact O-CA 3.3Å; E152-M232 WeakPolarHBondContact O-CA 3.25Å; E152-A233 PolarHBondContact O-N 3.48Å
153I92.6Very high93.8Very high12 Ų1236.6 Ų36.66%0.06220%0.196CC..  trans-67.9133.1171.7-60.7167.7000109.7L85 L87 I111 C150 S157 Y176 L180 L235L85-I153 HydrophobicContact CD2-CD1 4.38Å; L87-I153 HydrophobicContact CD2-CD1 4Å; I111-I153 HydrophobicContact CD1-CD1 3.55Å; I111-I153 HydrophobicContact CD1-CG1 3.45Å; I111-I153 VanDerWaalsContact CD1-CG1 3.45Å; C150-I153 WeakPolarHBondContact O-CD1 3.33Å; C150-I153 WeakPolarHBondContact O-CG1 3.47Å; I153-S157 WeakPolarHBondContact CG2-OG 3.27Å; I153-Y176 WeakPolarHBondContact CB-OH 3.37Å; I153-Y176 PolarHBondContact N-OH 2.92Å; I153-Y176 VanDerWaalsContact N-OH 3.1Å; I153-Y176 PolarHBondContact O-OH 3.09Å; I153-L180 HydrophobicContact CD1-CD1 4Å; I153-L180 HydrophobicContact CD1-CD2 3.91Å; I153-L180 HydrophobicContact CG2-CD2 4.42Å; I153-L235 HydrophobicContact CD1-CD1 4.5Å; I153-L235 HydrophobicContact CG2-CD1 3.6Å; I153-L235 HydrophobicContact CG2-CG 4.46Å
154P89.4Confident93.9Very high16 Ų1636.5 Ų36.510%0.10420%0.195CC..  trans-60.4136.3174.1-19.927.8000112.6E156 S157 M232 A233 P234P154-E156 WeakPolarHBondContact CB-OE2 3.48Å; P154-E156 PolarHBondContact O-N 2.73Å; P154-S157 WeakPolarHBondContact O-CB 3.32Å; P154-S157 PolarHBondContact O-N 2.93Å; P154-S157 PolarHBondContact O-OG 3.44Å; P154-M232 HydrophobicContact CB-CE 3.66Å; P154-M232 HydrophobicContact CG-CB 4.32Å; P154-M232 HydrophobicContact CG-CE 3.93Å; P154-A233 WeakPolarHBondContact CD-O 3.34Å; P154-P234 HydrophobicContact CG-CB 4.46Å
155P83.4Confident93.9Very high108 Ų10834.5 Ų34.570%0.70118%0.181SC*.THydrogen-bonded Turntrans-66-17.417728-34.7000113.5S157P155-S157 PolarHBondContact O-N 2.98Å
156E84.9Confident93.9Very high158 Ų15834.6 Ų34.674%0.73819%0.185SC*.THydrogen-bonded Turntrans-77.7-1.4171.7-5377.8-170.700113.2P154P154-E156 WeakPolarHBondContact CB-OE2 3.48Å; P154-E156 PolarHBondContact O-N 2.73Å
157S87.6Confident93.8Very high23 Ų2334.1 Ų34.116%0.16118%0.184CC..SBendtrans-66.4156.6176.7-59.70000112.1I153 P154 P155I153-S157 WeakPolarHBondContact CG2-OG 3.27Å; P154-S157 WeakPolarHBondContact O-CB 3.32Å; P154-S157 PolarHBondContact O-N 2.93Å; P154-S157 PolarHBondContact O-OG 3.44Å; P155-S157 PolarHBondContact O-N 2.98Å
158R90.9Very high93.8Very high88 Ų8831.8 Ų31.833%0.33217%0.172SC..PPolyproline II helixtrans-65.7147.8174.686.2-175.3-47.9-146.38.7110.9Y160R158-Y160 HydrophobicContact CG-CD2 4.27Å; R158-Y160 HydrophobicContact CG-CE1 4.02Å; R158-Y160 HydrophobicContact CG-CE2 3.7Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 WeakPolarHBondContact O-CE2 3.45Å
159H94.9Very high93.8Very high87 Ų8731.6 Ų31.640%0.40317%0.169SC..PPolyproline II helixtrans-83.6151.3164.7-60.445.3000109.6N179 L180 L181 K182H159-N179 PolarHBondContact CD2-O 3.04Å; H159-L180 CarbonylContact C-O 3.56Å; H159-L180 WeakPolarHBondContact CA-O 3.42Å; H159-L181 PolarHBondContact CD2-O 2.72Å; H159-K182 HydrophobicContact CB-CG 3.72Å; H159-K182 WeakPolarHBondContact O-CE 3.15Å
160Y97.6Very high93.8Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-112.2156.5-173.2-66.4-95.8000112.4F84 L85 H109 R158 R162 L180 K182 L235F84-Y160 VanDerWaalsContact C-CD1 3.5Å; F84-Y160 WeakPolarHBondContact O-CD1 3.35Å; F84-Y160 WeakPolarHBondContact O-CE1 3.24Å; L85-Y160 HydrophobicContact CB-CD1 3.76Å; L85-Y160 HydrophobicContact CB-CD2 3.79Å; L85-Y160 HydrophobicContact CB-CE1 3.93Å; L85-Y160 HydrophobicContact CB-CE2 3.98Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE2 4.45Å; L85-Y160 HydrophobicContact CD2-CD2 3.77Å; L85-Y160 HydrophobicContact CD2-CE2 3.66Å; L85-Y160 HydrophobicContact CG-CD2 4.38Å; L85-Y160 HydrophobicContact CG-CE2 4.26Å; H109-Y160 HydrophobicContact CB-CE1 4.29Å; H109-Y160 AromaticContact ND1-CE1 3.75Å; H109-Y160 AromaticContact ND1-CZ 3.72Å; H109-Y160 PolarHBondContact ND1-OH 2.73Å; R158-Y160 HydrophobicContact CG-CD2 4.27Å; R158-Y160 HydrophobicContact CG-CE1 4.02Å; R158-Y160 HydrophobicContact CG-CE2 3.7Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 WeakPolarHBondContact O-CE2 3.45Å; Y160-R162 VanDerWaalsContact C-N 3.33Å; Y160-L180 PolarHBondContact N-O 2.91Å; Y160-K182 PolarHBondContact O-N 2.76Å; Y160-L235 HydrophobicContact CE2-CD1 4.04Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.33Å
161D98.6Very high93.7Very high31 Ų3140.4 Ų40.417%0.16621%0.207CC..EExtended strand (participates in β ladder)trans-78.8-25.9172-50.1-67.3000111.1L82 S83 K182 G185 I186L82-D161 HydrophobicContact CB-CB 4.29Å; L82-D161 HydrophobicContact CD2-CB 3.8Å; L82-D161 HydrophobicContact CG-CB 4.48Å; S83-D161 WeakPolarHBondContact CB-OD2 3.47Å; S83-D161 PolarHBondContact N-OD2 3.38Å; S83-D161 PolarHBondContact O-N 3.26Å; S83-D161 PolarHBondContact OG-N 2.92Å; S83-D161 PolarHBondContact OG-OD2 3.03Å; D161-K182 VanDerWaalsContact OD1-CD 3.32Å; D161-K182 WeakPolarHBondContact OD1-CD 3.35Å; D161-K182 WeakPolarHBondContact OD1-CE 3.49Å; D161-K182 IonicContact OD1-NZ 3.12Å; D161-K182 PolarHBondContact OD1-NZ 3.13Å; D161-K182 IonicContact OD2-NZ 2.72Å; D161-K182 PolarHBondContact OD2-NZ 3.3Å; D161-G185 CarbonylContact O-C 3.55Å; D161-G185 WeakPolarHBondContact O-CA 3.39Å; D161-I186 PolarHBondContact O-N 3.23Å
162R98.8Very high93.8Very high17 Ų1746.4 Ų46.46%0.06423%0.234CC..EExtended strand (participates in β ladder)trans-141.2131.9-173.4-60-61.4-175.2-10610.5109.7L76 E77 L78 L82 S83 F84 L85 Y160 I186L76-R162 HydrophobicContact CD2-CB 4.26Å; L76-R162 WeakPolarHBondContact O-CD 3.5Å; L76-R162 PolarHBondContact O-NE 3.35Å; E77-R162 PolarHBondContact O-NE 3.11Å; E77-R162 PolarHBondContact O-NH2 3.4Å; L78-R162 HydrophobicContact CD2-CB 4.41Å; L78-R162 HydrophobicContact CD2-CG 4.1Å; L82-R162 HydrophobicContact CD1-CG 3.83Å; S83-R162 PolarHBondContact O-N 3.11Å; F84-R162 CarbonylContact C-O 3.56Å; F84-R162 VanDerWaalsContact CA-O 3.29Å; F84-R162 WeakPolarHBondContact CA-O 3.46Å; F84-R162 HydrophobicContact CB-CB 4.36Å; F84-R162 HydrophobicContact CD2-CB 3.85Å; L85-R162 PolarHBondContact N-O 3.11Å; Y160-R162 VanDerWaalsContact C-N 3.33Å; R162-I186 CarbonylContact C-O 3.59Å; R162-I186 VanDerWaalsContact CA-O 3.3Å; R162-I186 WeakPolarHBondContact CA-O 3.44Å
163V98.7Very high93.9Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-134.4134.5176.1-178.30000109.2L85 L87 L180 L181 I186 L187 V188L85-V163 HydrophobicContact CB-CG2 4.29Å; L85-V163 CarbonylContact O-C 3.5Å; L85-V163 WeakPolarHBondContact O-CA 3.49Å; L87-V163 HydrophobicContact CD1-CG1 4.13Å; L87-V163 HydrophobicContact CG-CG1 4.37Å; V163-L180 HydrophobicContact CG2-CB 4.16Å; V163-L181 HydrophobicContact CB-CD2 4.14Å; V163-L181 HydrophobicContact CG2-CD2 3.62Å; V163-L181 HydrophobicContact CG2-CG 4.3Å; V163-I186 PolarHBondContact N-O 3.42Å; V163-L187 HydrophobicContact CB-CB 4.47Å; V163-L187 HydrophobicContact CB-CD1 3.85Å; V163-L187 HydrophobicContact CG1-CD1 3.68Å; V163-L187 CarbonylContact O-C 3.48Å; V163-L187 VanDerWaalsContact O-CA 3.31Å; V163-L187 WeakPolarHBondContact O-CA 3.5Å; V163-V188 PolarHBondContact O-N 2.99Å
164Y98.6Very high94Very high2 Ų248 Ų481%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-120.6144.9168174.2-115.8000110.4V72 L85 N86 L87 L94 V188V72-Y164 HydrophobicContact CB-CD2 4.36Å; V72-Y164 HydrophobicContact CB-CE2 4.17Å; V72-Y164 HydrophobicContact CG1-CD1 4.37Å; V72-Y164 HydrophobicContact CG1-CD2 3.44Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.44Å; V72-Y164 HydrophobicContact CG1-CE2 3.68Å; V72-Y164 HydrophobicContact CG1-CG 3.82Å; V72-Y164 HydrophobicContact CG2-CD2 3.89Å; V72-Y164 HydrophobicContact CG2-CE2 3.33Å; L85-Y164 PolarHBondContact O-N 2.86Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.34Å; L87-Y164 PolarHBondContact N-O 3.5Å; L94-Y164 HydrophobicContact CD2-CD1 3.34Å; L94-Y164 HydrophobicContact CD2-CE1 3.5Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.5Å; L94-Y164 HydrophobicContact CD2-CG 4.12Å; Y164-V188 WeakPolarHBondContact CA-O 3.45Å; Y164-V188 HydrophobicContact CD2-CB 4.34Å; Y164-V188 HydrophobicContact CD2-CG1 4.34Å; Y164-V188 VanDerWaalsContact CD2-O 3.29Å; Y164-V188 WeakPolarHBondContact CD2-O 3.33Å
165C97.9Very high94.3Very high0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-121.8117.7168-170.90000110.5L87 A167 V169 V188 M189 P190L87-C165 HydrophobicContact CB-CB 4.2Å; L87-C165 HydrophobicContact CD1-CB 4.44Å; L87-C165 WeakPolarHBondContact O-CA 3.3Å; C165-A167 PolarHBondContact O-N 3.14Å; C165-V169 HydrophobicContact CB-CG2 4.17Å; C165-V188 PolarHBondContact N-O 2.89Å; C165-V188 VanDerWaalsContact N-O 3.11Å; C165-M189 HydrophobicContact CB-CB 3.82Å; C165-P190 WeakPolarHBondContact O-CD 3.47Å
166G95.8Very high94.9Very high14 Ų1450 Ų5014%0.14424%0.238CC..SBendtrans-81.417.7-179.400000115.2L87 F216L87-G166 PolarHBondContact O-N 3.05Å; G166-F216 VanDerWaalsContact O-CD1 3.29Å; G166-F216 WeakPolarHBondContact O-CD1 3.43Å
167A94.7Very high95.4Very high17 Ų1742.5 Ų42.514%0.1420%0.202CC..SBendtrans-145.2156.6-177.600000111C165 V169 P190 A217 L219C165-A167 PolarHBondContact O-N 3.14Å; A167-V169 PolarHBondContact O-N 2.9Å; A167-P190 WeakPolarHBondContact O-CD 3.18Å; A167-A217 WeakPolarHBondContact CA-O 3.49Å; A167-A217 WeakPolarHBondContact CB-O 3.29Å; A167-L219 HydrophobicContact CB-CD1 3.68Å
168G95.4Very high95.8Very high9 Ų942.5 Ų42.59%0.09320%0.199CC..BIsolated β-bridgetrans-69.5116.1-175.900000112.7A217 L219G168-A217 PolarHBondContact N-O 3.46Å; G168-L219 WeakPolarHBondContact O-CB 3.48Å; G168-L219 PolarHBondContact O-N 3.32Å
169V95.9Very high96Very high6 Ų641.6 Ų41.64%0.03620%0.201CC..BIsolated β-bridgetrans-90.5126.7-177.6-176.60000110C165 A167 H173 M177 M189 P190 L191C165-V169 HydrophobicContact CB-CG2 4.17Å; A167-V169 PolarHBondContact O-N 2.9Å; V169-H173 HydrophobicContact CG1-CB 4.05Å; V169-M177 HydrophobicContact CG1-CE 4.45Å; V169-M177 HydrophobicContact CG1-CG 3.99Å; V169-M177 HydrophobicContact CG2-CE 4.14Å; V169-M177 HydrophobicContact CG2-CG 4.42Å; V169-M189 HydrophobicContact CB-CE 4.43Å; V169-M189 HydrophobicContact CB-SD 3.99Å; V169-M189 HydrophobicContact CG1-CE 4.18Å; V169-M189 HydrophobicContact CG1-SD 4Å; V169-M189 HydrophobicContact CG2-CB 4.14Å; V169-M189 HydrophobicContact CG2-CG 4.3Å; V169-M189 HydrophobicContact CG2-SD 3.79Å; V169-P190 PolarHBondContact N-O 3.24Å; V169-L191 WeakPolarHBondContact O-CD1 3.44Å
170Q93.6Very high96Very high91 Ų9138.2 Ų38.243%0.42519%0.186SC..PPolyproline II helixtrans-77.3151.7172.7-60.8-176.2-2600110.5E172 H173 E174Q170-E172 WeakPolarHBondContact CB-OE2 3.48Å; Q170-E172 PolarHBondContact O-N 2.69Å; Q170-H173 PolarHBondContact O-N 3.03Å; Q170-E174 PolarHBondContact O-N 3.43Å
171K92.9Very high96Very high117 Ų11738.2 Ų38.251%0.50919%0.186SC..G310 helixtrans-62-31.9-170-164.3168.5-163.3148.10112.9H173 E174 E192K171-H173 PolarHBondContact O-N 2.93Å; K171-E174 VanDerWaalsContact O-CB 3.25Å; K171-E174 WeakPolarHBondContact O-CB 3.42Å; K171-E174 PolarHBondContact O-N 3.47Å; K171-E174 VanDerWaalsContact O-N 3.08Å; K171-E192 IonicContact NZ-OE1 3.86Å; K171-E192 PolarHBondContact NZ-OE1 2.77Å
172E94.6Very high95.9Very high146 Ų14639.9 Ų39.968%0.68219%0.192SC*.G310 helixtrans-60.2-23.5175.6-61.866.1-14600112.2Q170Q170-E172 WeakPolarHBondContact CB-OE2 3.48Å; Q170-E172 PolarHBondContact O-N 2.69Å
173H95.2Very high95.9Very high45 Ų4542.7 Ų42.721%0.20821%0.211CC..G310 helixtrans-105.70.7178.1-61.9-58.7000113.7L151 V169 Q170 K171 E175 Y176 M177 L221L151-H173 HydrophobicContact CD2-CB 4.24Å; V169-H173 HydrophobicContact CG1-CB 4.05Å; Q170-H173 PolarHBondContact O-N 3.03Å; K171-H173 PolarHBondContact O-N 2.93Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.23Å; H173-Y176 WeakPolarHBondContact O-CB 3.49Å; H173-Y176 PolarHBondContact O-N 3.24Å; H173-Y176 VanDerWaalsContact O-N 3.13Å; H173-M177 PolarHBondContact O-N 2.87Å; H173-M177 VanDerWaalsContact O-N 3.1Å; H173-L221 VanDerWaalsContact NE2-CD2 3.34Å; H173-L221 WeakPolarHBondContact NE2-CD2 3.37Å
174E95.4Very high95.8Very high32 Ų3245 Ų4515%0.1524%0.235CC..Hα-helixtrans-57.4-44179.4-170.5-168.2140.400111.6Q170 K171 M177 K178 M189 L191 I198Q170-E174 PolarHBondContact O-N 3.43Å; K171-E174 VanDerWaalsContact O-CB 3.25Å; K171-E174 WeakPolarHBondContact O-CB 3.42Å; K171-E174 PolarHBondContact O-N 3.47Å; K171-E174 VanDerWaalsContact O-N 3.08Å; E174-M177 PolarHBondContact O-N 3.27Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.78Å; E174-K178 WeakPolarHBondContact OE1-CE 3.41Å; E174-K178 IonicContact OE1-NZ 2.72Å; E174-K178 PolarHBondContact OE1-NZ 3.33Å; E174-M189 HydrophobicContact CB-CE 4.36Å; E174-M189 HydrophobicContact CG-CE 3.83Å; E174-L191 HydrophobicContact CG-CD2 4.02Å; E174-I198 HydrophobicContact CG-CD1 4.39Å
175E95.1Very high95.8Very high95 Ų9544.9 Ų44.944%0.44423%0.234SC..Hα-helixtrans-71.4-29.5179.2-169.355.8-14900112.7H173 K178 N179H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.23Å; E175-K178 VanDerWaalsContact OE2-CD 3.3Å; E175-K178 WeakPolarHBondContact OE2-CD 3.32Å; E175-K178 IonicContact OE2-NZ 2.66Å; E175-N179 PolarHBondContact O-N 3.17Å; E175-N179 PolarHBondContact O-ND2 3.35Å; E175-N179 PolarHBondContact OE1-ND2 3.2Å
176Y95.2Very high95.9Very high73 Ų7345.1 Ų45.129%0.28624%0.235SC..Hα-helixtrans-64-49.3172.5-177.6-85.5000110.6C150 L151 I153 H173 K178 N179C150-Y176 VanDerWaalsContact O-CE1 3.29Å; C150-Y176 WeakPolarHBondContact O-CE1 3.34Å; C150-Y176 PolarHBondContact O-OH 3.02Å; L151-Y176 VanDerWaalsContact C-OH 3.26Å; L151-Y176 HydrophobicContact CD2-CD1 3.69Å; L151-Y176 HydrophobicContact CD2-CE1 3.96Å; L151-Y176 HydrophobicContact CD2-CG 4.22Å; L151-Y176 PolarHBondContact O-OH 3.16Å; I153-Y176 WeakPolarHBondContact CB-OH 3.37Å; I153-Y176 PolarHBondContact N-OH 2.92Å; I153-Y176 VanDerWaalsContact N-OH 3.1Å; I153-Y176 PolarHBondContact O-OH 3.09Å; H173-Y176 WeakPolarHBondContact O-CB 3.49Å; H173-Y176 PolarHBondContact O-N 3.24Å; H173-Y176 VanDerWaalsContact O-N 3.13Å; Y176-K178 PolarHBondContact O-N 3.12Å; Y176-N179 PolarHBondContact O-N 2.98Å
177M96.2Very high96Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-63.8-39.8179.7-61.6-54.3-174.200112.3L87 L151 V169 H173 E174 N179 L180 L187 M189 L219L87-M177 HydrophobicContact CD1-CE 4.09Å; L87-M177 HydrophobicContact CD1-SD 3.47Å; L87-M177 WeakPolarHBondContact CD1-SD 3.44Å; L151-M177 HydrophobicContact CD2-CE 3.9Å; V169-M177 HydrophobicContact CG1-CE 4.45Å; V169-M177 HydrophobicContact CG1-CG 3.99Å; V169-M177 HydrophobicContact CG2-CE 4.14Å; V169-M177 HydrophobicContact CG2-CG 4.42Å; H173-M177 PolarHBondContact O-N 2.87Å; H173-M177 VanDerWaalsContact O-N 3.1Å; E174-M177 PolarHBondContact O-N 3.27Å; M177-N179 VanDerWaalsContact C-N 3.32Å; M177-N179 PolarHBondContact O-N 2.89Å; M177-L180 WeakPolarHBondContact O-CB 3.41Å; M177-L180 PolarHBondContact O-N 3.03Å; M177-L180 HydrophobicContact SD-CD1 4.19Å; M177-L187 HydrophobicContact CB-CD1 4.47Å; M177-L187 HydrophobicContact CB-CD2 3.81Å; M177-M189 HydrophobicContact CB-CE 4.44Å; M177-M189 HydrophobicContact CB-SD 3.78Å; M177-M189 HydrophobicContact CG-SD 3.88Å; M177-L219 HydrophobicContact CE-CD2 3.38Å
178K95.8Very high96.2Very high22 Ų2243.6 Ų43.610%0.09622%0.222CC..Hα-helixtrans-55.1-44.3173.2-84.5172.9-177.2167.40112.8E174 E175 Y176 L180 L181 I198 W206E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.78Å; E174-K178 WeakPolarHBondContact OE1-CE 3.41Å; E174-K178 IonicContact OE1-NZ 2.72Å; E174-K178 PolarHBondContact OE1-NZ 3.33Å; E175-K178 VanDerWaalsContact OE2-CD 3.3Å; E175-K178 WeakPolarHBondContact OE2-CD 3.32Å; E175-K178 IonicContact OE2-NZ 2.66Å; Y176-K178 PolarHBondContact O-N 3.12Å; K178-L180 PolarHBondContact O-N 3.15Å; K178-L180 VanDerWaalsContact O-N 3.11Å; K178-L181 WeakPolarHBondContact O-CB 3.49Å; K178-L181 PolarHBondContact O-N 3.31Å; K178-I198 HydrophobicContact CG-CG2 4.34Å; K178-W206 HydrophobicContact CB-CE3 4.45Å; K178-W206 HydrophobicContact CB-CH2 3.51Å; K178-W206 HydrophobicContact CB-CZ2 3.79Å; K178-W206 HydrophobicContact CB-CZ3 3.85Å; K178-W206 HydrophobicContact CD-CD2 3.99Å; K178-W206 HydrophobicContact CD-CE3 4.25Å; K178-W206 HydrophobicContact CD-CG 4.43Å; K178-W206 HydrophobicContact CD-CH2 4.46Å; K178-W206 HydrophobicContact CD-CZ2 4.2Å; K178-W206 HydrophobicContact CD-CZ3 4.45Å; K178-W206 HydrophobicContact CG-CD2 4.22Å; K178-W206 HydrophobicContact CG-CE3 3.98Å; K178-W206 HydrophobicContact CG-CH2 3.97Å; K178-W206 HydrophobicContact CG-CZ2 4.2Å; K178-W206 HydrophobicContact CG-CZ3 3.82Å; K178-W206 VanDerWaalsContact O-CH2 3.28Å; K178-W206 WeakPolarHBondContact O-CH2 3.44Å
179N95Very high96.3Very high69 Ų6943.2 Ų43.237%0.36922%0.217SC..THydrogen-bonded Turntrans-69.9-6.9-176.3-78.9-70.5000114.4H159 E175 Y176 M177 L181H159-N179 PolarHBondContact CD2-O 3.04Å; E175-N179 PolarHBondContact O-N 3.17Å; E175-N179 PolarHBondContact O-ND2 3.35Å; E175-N179 PolarHBondContact OE1-ND2 3.2Å; Y176-N179 PolarHBondContact O-N 2.98Å; M177-N179 VanDerWaalsContact C-N 3.32Å; M177-N179 PolarHBondContact O-N 2.89Å; N179-L181 VanDerWaalsContact C-N 3.28Å; N179-L181 PolarHBondContact O-N 2.82Å
180L96.1Very high96.4Very high16 Ų1643 Ų438%0.08422%0.216CC..THydrogen-bonded Turntrans-75.3-12.9168.4-56174.1000113.3L85 L87 I153 H159 Y160 V163 M177 K178L85-L180 HydrophobicContact CD2-CD1 4.11Å; L87-L180 HydrophobicContact CD1-CD1 3.77Å; I153-L180 HydrophobicContact CD1-CD1 4Å; I153-L180 HydrophobicContact CD1-CD2 3.91Å; I153-L180 HydrophobicContact CG2-CD2 4.42Å; H159-L180 CarbonylContact C-O 3.56Å; H159-L180 WeakPolarHBondContact CA-O 3.42Å; Y160-L180 PolarHBondContact N-O 2.91Å; V163-L180 HydrophobicContact CG2-CB 4.16Å; M177-L180 WeakPolarHBondContact O-CB 3.41Å; M177-L180 PolarHBondContact O-N 3.03Å; M177-L180 HydrophobicContact SD-CD1 4.19Å; K178-L180 PolarHBondContact O-N 3.15Å; K178-L180 VanDerWaalsContact O-N 3.11Å
181L97.2Very high96.5Very high0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-91.6140.9-177.4-71.6177.4000114.8H159 V163 K178 N179 I186 L187 R200 W206H159-L181 PolarHBondContact CD2-O 2.72Å; V163-L181 HydrophobicContact CB-CD2 4.14Å; V163-L181 HydrophobicContact CG2-CD2 3.62Å; V163-L181 HydrophobicContact CG2-CG 4.3Å; K178-L181 WeakPolarHBondContact O-CB 3.49Å; K178-L181 PolarHBondContact O-N 3.31Å; N179-L181 VanDerWaalsContact C-N 3.28Å; N179-L181 PolarHBondContact O-N 2.82Å; L181-I186 WeakPolarHBondContact CD2-O 3.05Å; L181-L187 HydrophobicContact CD1-CB 3.49Å; L181-L187 VanDerWaalsContact CD1-CB 3.49Å; L181-L187 HydrophobicContact CD2-CB 4.25Å; L181-L187 HydrophobicContact CG-CB 4.04Å; L181-R200 HydrophobicContact CB-CB 4.37Å; L181-R200 HydrophobicContact CD1-CB 4.32Å; L181-R200 WeakPolarHBondContact O-CD 3.46Å; L181-R200 PolarHBondContact O-NH1 3.07Å; L181-W206 HydrophobicContact CB-CZ3 4.49Å; L181-W206 HydrophobicContact CD1-CZ3 3.94Å
182K97.1Very high96.4Very high66 Ų6638 Ų3829%0.28720%0.195SC..EExtended strand (participates in β ladder)trans-69.1161.5159.2-61.4-178.5-143162.60110.9S83 H159 Y160 D161 G185 R200S83-K182 WeakPolarHBondContact OG-CE 3.43Å; S83-K182 PolarHBondContact OG-NZ 3.47Å; H159-K182 HydrophobicContact CB-CG 3.72Å; H159-K182 WeakPolarHBondContact O-CE 3.15Å; Y160-K182 PolarHBondContact O-N 2.76Å; D161-K182 VanDerWaalsContact OD1-CD 3.32Å; D161-K182 WeakPolarHBondContact OD1-CD 3.35Å; D161-K182 WeakPolarHBondContact OD1-CE 3.49Å; D161-K182 IonicContact OD1-NZ 3.12Å; D161-K182 PolarHBondContact OD1-NZ 3.13Å; D161-K182 IonicContact OD2-NZ 2.72Å; D161-K182 PolarHBondContact OD2-NZ 3.3Å; K182-G185 WeakPolarHBondContact O-CA 3.47Å; K182-G185 PolarHBondContact O-N 2.87Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.27Å
183V97.5Very high96.3Very high76 Ų7635.9 Ų35.946%0.46119%0.185SC..EExtended strand (participates in β ladder)trans-64.4135.6165.2-1770000109G185 R200 L203V183-G185 VanDerWaalsContact C-N 3.27Å; V183-R200 HydrophobicContact CG2-CG 4.45Å; V183-L203 HydrophobicContact CG2-CD2 4.21Å
184G97.5Very high96.3Very high49 Ų4937.9 Ų37.951%0.50519%0.193SC..EExtended strand (participates in β ladder)trans80.32.4-165.600000114.3R200G184-R200 PolarHBondContact N-O 2.92Å
185G98.4Very high96.4Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-83.5155.7-179.400000114D161 K182 V183 V199 R200D161-G185 CarbonylContact O-C 3.55Å; D161-G185 WeakPolarHBondContact O-CA 3.39Å; K182-G185 WeakPolarHBondContact O-CA 3.47Å; K182-G185 PolarHBondContact O-N 2.87Å; V183-G185 VanDerWaalsContact C-N 3.27Å; G185-V199 WeakPolarHBondContact O-CA 3.32Å; G185-R200 PolarHBondContact O-N 3.02Å
186I98.8Very high96.5Very high4 Ų431.9 Ų31.92%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-122.1126.2179.7-52.5177.2000110.4E77 D161 R162 V163 L181 V188 K197 I198 V199E77-I186 HydrophobicContact CB-CD1 3.91Å; E77-I186 HydrophobicContact CG-CD1 4.16Å; D161-I186 PolarHBondContact O-N 3.23Å; R162-I186 CarbonylContact C-O 3.59Å; R162-I186 VanDerWaalsContact CA-O 3.3Å; R162-I186 WeakPolarHBondContact CA-O 3.44Å; V163-I186 PolarHBondContact N-O 3.42Å; L181-I186 WeakPolarHBondContact CD2-O 3.05Å; I186-V188 HydrophobicContact CG2-CG2 4.3Å; I186-K197 HydrophobicContact CG2-CD 4.19Å; I186-K197 HydrophobicContact CG2-CG 3.87Å; I186-I198 WeakPolarHBondContact CA-O 3.35Å; I186-V199 HydrophobicContact CG1-CG1 4.47Å; I186-V199 HydrophobicContact CG1-CG2 4.3Å
187L98.7Very high96.7Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-108.7130173163.164.8000108.2V163 M177 L181 M189 K197 I198V163-L187 HydrophobicContact CB-CB 4.47Å; V163-L187 HydrophobicContact CB-CD1 3.85Å; V163-L187 HydrophobicContact CG1-CD1 3.68Å; V163-L187 CarbonylContact O-C 3.48Å; V163-L187 VanDerWaalsContact O-CA 3.31Å; V163-L187 WeakPolarHBondContact O-CA 3.5Å; M177-L187 HydrophobicContact CB-CD1 4.47Å; M177-L187 HydrophobicContact CB-CD2 3.81Å; L181-L187 HydrophobicContact CD1-CB 3.49Å; L181-L187 VanDerWaalsContact CD1-CB 3.49Å; L181-L187 HydrophobicContact CD2-CB 4.25Å; L181-L187 HydrophobicContact CG-CB 4.04Å; L187-M189 HydrophobicContact CD1-CB 4.3Å; L187-M189 HydrophobicContact CD1-CG 4.38Å; L187-M189 HydrophobicContact CD1-SD 4.1Å; L187-M189 HydrophobicContact CD2-CE 4.24Å; L187-M189 HydrophobicContact CD2-SD 3.83Å; L187-M189 HydrophobicContact CG-CG 4.37Å; L187-M189 HydrophobicContact CG-SD 4.14Å; L187-K197 CarbonylContact O-C 3.59Å; L187-K197 WeakPolarHBondContact O-CA 3.16Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CB 4.48Å; L187-I198 HydrophobicContact CD2-CD1 4.31Å; L187-I198 PolarHBondContact N-O 2.79Å; L187-I198 PolarHBondContact O-N 2.89Å
188V98.7Very high96.8Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-118.2122.1169.4179.90000108.8V72 A75 L76 V163 Y164 C165 I186 L195 T196 K197V72-V188 HydrophobicContact CG2-CG1 4.1Å; A75-V188 HydrophobicContact CB-CG2 3.92Å; L76-V188 HydrophobicContact CD2-CB 4.26Å; L76-V188 HydrophobicContact CD2-CG2 3.85Å; L76-V188 HydrophobicContact CG-CB 4.4Å; L76-V188 HydrophobicContact CG-CG2 3.94Å; V163-V188 PolarHBondContact O-N 2.99Å; Y164-V188 WeakPolarHBondContact CA-O 3.45Å; Y164-V188 HydrophobicContact CD2-CB 4.34Å; Y164-V188 HydrophobicContact CD2-CG1 4.34Å; Y164-V188 VanDerWaalsContact CD2-O 3.29Å; Y164-V188 WeakPolarHBondContact CD2-O 3.33Å; C165-V188 PolarHBondContact N-O 2.89Å; C165-V188 VanDerWaalsContact N-O 3.11Å; I186-V188 HydrophobicContact CG2-CG2 4.3Å; V188-L195 HydrophobicContact CG1-CD1 3.85Å; V188-L195 HydrophobicContact CG1-CD2 4.45Å; V188-L195 HydrophobicContact CG1-CG 4.04Å; V188-T196 WeakPolarHBondContact CA-O 3.48Å; V188-K197 HydrophobicContact CG2-CB 4.45Å
189M97.8Very high96.9Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-151.6154.7177.567.4-172.6-170.500112.5C165 V169 E174 M177 L187 L191 T196 I198C165-M189 HydrophobicContact CB-CB 3.82Å; V169-M189 HydrophobicContact CB-CE 4.43Å; V169-M189 HydrophobicContact CB-SD 3.99Å; V169-M189 HydrophobicContact CG1-CE 4.18Å; V169-M189 HydrophobicContact CG1-SD 4Å; V169-M189 HydrophobicContact CG2-CB 4.14Å; V169-M189 HydrophobicContact CG2-CG 4.3Å; V169-M189 HydrophobicContact CG2-SD 3.79Å; E174-M189 HydrophobicContact CB-CE 4.36Å; E174-M189 HydrophobicContact CG-CE 3.83Å; M177-M189 HydrophobicContact CB-CE 4.44Å; M177-M189 HydrophobicContact CB-SD 3.78Å; M177-M189 HydrophobicContact CG-SD 3.88Å; L187-M189 HydrophobicContact CD1-CB 4.3Å; L187-M189 HydrophobicContact CD1-CG 4.38Å; L187-M189 HydrophobicContact CD1-SD 4.1Å; L187-M189 HydrophobicContact CD2-CE 4.24Å; L187-M189 HydrophobicContact CD2-SD 3.83Å; L187-M189 HydrophobicContact CG-CG 4.37Å; L187-M189 HydrophobicContact CG-SD 4.14Å; M189-L191 HydrophobicContact CE-CB 4.4Å; M189-L191 HydrophobicContact CE-CD2 4.08Å; M189-T196 PolarHBondContact N-O 3.32Å; M189-T196 PolarHBondContact O-N 2.95Å; M189-I198 HydrophobicContact CE-CD1 3.92Å
190P97.1Very high97.1Very high3 Ų327.9 Ų27.92%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-73.4123.4167.5-4.521.2000109.7C165 A167 V169 V214 F216C165-P190 WeakPolarHBondContact O-CD 3.47Å; A167-P190 WeakPolarHBondContact O-CD 3.18Å; V169-P190 PolarHBondContact N-O 3.24Å; P190-V214 HydrophobicContact CB-CG2 3.91Å; P190-F216 HydrophobicContact CB-CB 4.34Å; P190-F216 HydrophobicContact CB-CD2 3.56Å; P190-F216 HydrophobicContact CB-CE2 3.99Å; P190-F216 HydrophobicContact CB-CG 4.07Å; P190-F216 HydrophobicContact CG-CB 4.12Å; P190-F216 HydrophobicContact CG-CD1 3.95Å; P190-F216 HydrophobicContact CG-CD2 3.27Å; P190-F216 HydrophobicContact CG-CE1 4.09Å; P190-F216 HydrophobicContact CG-CE2 3.42Å; P190-F216 VanDerWaalsContact CG-CE2 3.42Å; P190-F216 HydrophobicContact CG-CG 3.53Å; P190-F216 HydrophobicContact CG-CZ 3.83Å
191L95.9Very high97.1Very high5 Ų530.8 Ų30.83%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-140.5127.1179.717765.1000108.4V169 E174 M189 E193 K194V169-L191 WeakPolarHBondContact O-CD1 3.44Å; E174-L191 HydrophobicContact CG-CD2 4.02Å; M189-L191 HydrophobicContact CE-CB 4.4Å; M189-L191 HydrophobicContact CE-CD2 4.08Å; L191-E193 PolarHBondContact O-N 2.95Å; L191-K194 PolarHBondContact N-O 2.9Å; L191-K194 PolarHBondContact O-N 3.28Å; L191-K194 VanDerWaalsContact O-O 3.06Å
192E91.3Very high97.1Very high97 Ų9731.4 Ų31.445%0.45317%0.173SC..THydrogen-bonded Turntrans53.149.4-177-56.7172.115700112.7K171 K194 K210K171-E192 IonicContact NZ-OE1 3.86Å; K171-E192 PolarHBondContact NZ-OE1 2.77Å; E192-K194 PolarHBondContact O-N 3.42Å; E192-K194 VanDerWaalsContact O-N 3.14Å; E192-K210 IonicContact OE2-NZ 2.68Å; E192-K210 PolarHBondContact OE2-NZ 3.33Å
193E91.8Very high96.8Very high101 Ų10135.3 Ų35.347%0.47220%0.196SC..THydrogen-bonded Turntrans51.727.4-173-58.7-53.491.700115.1L191 S213 V214 S215L191-E193 PolarHBondContact O-N 2.95Å; E193-S213 WeakPolarHBondContact O-CA 3.42Å; E193-V214 CarbonylContact C-O 3.54Å; E193-V214 VanDerWaalsContact C-O 3.31Å; E193-V214 WeakPolarHBondContact CA-O 3.09Å; E193-V214 WeakPolarHBondContact CB-O 3.36Å; E193-V214 PolarHBondContact O-N 2.98Å; E193-S215 WeakPolarHBondContact OE2-CA 3.46Å; E193-S215 PolarHBondContact OE2-OG 3.47Å; E193-S215 VanDerWaalsContact OE2-OG 3.13Å
194K95.6Very high96.5Very high88 Ų8836.9 Ų36.938%0.38321%0.21SC..EExtended strand (participates in β ladder)trans-134.9128.8177.3-65.2-171.5175.4-173.50112.3L191 E192 T196 K210 I212L191-K194 PolarHBondContact N-O 2.9Å; L191-K194 PolarHBondContact O-N 3.28Å; L191-K194 VanDerWaalsContact O-O 3.06Å; E192-K194 PolarHBondContact O-N 3.42Å; E192-K194 VanDerWaalsContact O-N 3.14Å; K194-T196 PolarHBondContact O-N 2.93Å; K194-T196 PolarHBondContact O-OG1 2.75Å; K194-K210 HydrophobicContact CB-CD 4.21Å; K194-K210 HydrophobicContact CD-CD 3.91Å; K194-I212 CarbonylContact C-O 3.31Å; K194-I212 WeakPolarHBondContact CA-O 3.35Å
195L97.4Very high96.5Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-66.6119.7173.4-169.970.2000107.3E71 V72 V188 I211 I212 V214E71-L195 HydrophobicContact CB-CD2 4.16Å; V72-L195 HydrophobicContact CG2-CD1 4.16Å; V72-L195 HydrophobicContact CG2-CD2 4.05Å; V188-L195 HydrophobicContact CG1-CD1 3.85Å; V188-L195 HydrophobicContact CG1-CD2 4.45Å; V188-L195 HydrophobicContact CG1-CG 4.04Å; L195-I211 HydrophobicContact CD2-CD1 4.2Å; L195-I211 HydrophobicContact CG-CD1 4.21Å; L195-I211 WeakPolarHBondContact O-CB 3.2Å; L195-I211 PolarHBondContact O-N 3.02Å; L195-I212 HydrophobicContact CB-CG1 3.95Å; L195-I212 HydrophobicContact CD2-CD1 4.32Å; L195-I212 HydrophobicContact CD2-CG1 4.13Å; L195-I212 PolarHBondContact N-O 3.07Å; L195-V214 HydrophobicContact CB-CG1 3.81Å; L195-V214 HydrophobicContact CB-CG2 4.08Å; L195-V214 VanDerWaalsContact N-CG2 3.3Å
196T98.2Very high96.4Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-128.3125.7-166-60.90000109.6V188 M189 K194 I198 T208 K210V188-T196 WeakPolarHBondContact CA-O 3.48Å; M189-T196 PolarHBondContact N-O 3.32Å; M189-T196 PolarHBondContact O-N 2.95Å; K194-T196 PolarHBondContact O-N 2.93Å; K194-T196 PolarHBondContact O-OG1 2.75Å; T196-I198 HydrophobicContact CG2-CG1 4.07Å; T196-T208 HydrophobicContact CG2-CG2 3.49Å; T196-T208 VanDerWaalsContact CG2-CG2 3.49Å; T196-K210 HydrophobicContact CG2-CG 4.27Å
197K98.5Very high96.4Very high24 Ų2445.1 Ų45.110%0.10424%0.239CC..EExtended strand (participates in β ladder)trans-89.9127.6170.3172.6169.6178.7157.80109.2A75 E77 I186 L187 V188 V199 T208 K209 I211A75-K197 HydrophobicContact CB-CD 4.28Å; A75-K197 WeakPolarHBondContact O-CD 3.29Å; A75-K197 VanDerWaalsContact O-CE 3.3Å; A75-K197 WeakPolarHBondContact O-CE 3.23Å; A75-K197 PolarHBondContact O-NZ 3.13Å; E77-K197 IonicContact OE1-NZ 3.56Å; E77-K197 PolarHBondContact OE1-NZ 2.87Å; I186-K197 HydrophobicContact CG2-CD 4.19Å; I186-K197 HydrophobicContact CG2-CG 3.87Å; L187-K197 CarbonylContact O-C 3.59Å; L187-K197 WeakPolarHBondContact O-CA 3.16Å; V188-K197 HydrophobicContact CG2-CB 4.45Å; K197-V199 HydrophobicContact CG-CG2 4.18Å; K197-T208 WeakPolarHBondContact O-CA 3.41Å; K197-K209 PolarHBondContact N-O 3.42Å; K197-K209 PolarHBondContact O-N 3.46Å; K197-I211 HydrophobicContact CB-CD1 4.12Å; K197-I211 HydrophobicContact CB-CG1 4.43Å
198I98.4Very high96.4Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-122124175.6-57.2-178.9000108.1E174 K178 I186 L187 M189 T196 W206 E207 T208E174-I198 HydrophobicContact CG-CD1 4.39Å; K178-I198 HydrophobicContact CG-CG2 4.34Å; I186-I198 WeakPolarHBondContact CA-O 3.35Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CB 4.48Å; L187-I198 HydrophobicContact CD2-CD1 4.31Å; L187-I198 PolarHBondContact N-O 2.79Å; L187-I198 PolarHBondContact O-N 2.89Å; M189-I198 HydrophobicContact CE-CD1 3.92Å; T196-I198 HydrophobicContact CG2-CG1 4.07Å; I198-W206 HydrophobicContact CG2-CB 4.48Å; I198-W206 HydrophobicContact CG2-CE3 3.85Å; I198-E207 CarbonylContact C-O 3.51Å; I198-E207 VanDerWaalsContact CA-O 3.29Å; I198-E207 WeakPolarHBondContact CA-O 3.34Å; I198-T208 HydrophobicContact CG1-CG2 4.19Å
199V98.6Very high96.3Very high32 Ų3255 Ų5519%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-110.3127.9179.1-173.10000109.5G185 I186 K197 T201 W206 E207G185-V199 WeakPolarHBondContact O-CA 3.32Å; I186-V199 HydrophobicContact CG1-CG1 4.47Å; I186-V199 HydrophobicContact CG1-CG2 4.3Å; K197-V199 HydrophobicContact CG-CG2 4.18Å; V199-T201 PolarHBondContact O-N 2.94Å; V199-W206 WeakPolarHBondContact O-CA 3.38Å; V199-E207 HydrophobicContact CB-CB 4.37Å; V199-E207 PolarHBondContact N-O 2.91Å; V199-E207 PolarHBondContact O-N 3.09Å
200R98.2Very high96.3Very high24 Ų2459.5 Ų59.59%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-82.189.2176.6-167.1172.6-168.6157.710.9110.4L181 K182 V183 G184 G185 G202 L203 W206L181-R200 HydrophobicContact CB-CB 4.37Å; L181-R200 HydrophobicContact CD1-CB 4.32Å; L181-R200 WeakPolarHBondContact O-CD 3.46Å; L181-R200 PolarHBondContact O-NH1 3.07Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.27Å; V183-R200 HydrophobicContact CG2-CG 4.45Å; G184-R200 PolarHBondContact N-O 2.92Å; G185-R200 PolarHBondContact O-N 3.02Å; R200-G202 VanDerWaalsContact C-N 3.28Å; R200-G202 VanDerWaalsContact CG-O 3.22Å; R200-G202 WeakPolarHBondContact CG-O 3.49Å; R200-G202 PolarHBondContact NE-O 3.41Å; R200-G202 PolarHBondContact O-N 3.37Å; R200-L203 PolarHBondContact NH2-O 2.75Å; R200-W206 HydrophobicContact CB-CE3 3.75Å; R200-W206 HydrophobicContact CB-CH2 4.03Å; R200-W206 HydrophobicContact CB-CZ3 3.39Å; R200-W206 HydrophobicContact CG-CD2 4.41Å; R200-W206 HydrophobicContact CG-CE3 3.87Å; R200-W206 HydrophobicContact CG-CH2 3.55Å; R200-W206 HydrophobicContact CG-CZ2 4.13Å; R200-W206 HydrophobicContact CG-CZ3 3.43Å; R200-W206 VanDerWaalsContact CG-CZ3 3.43Å
201T97.3Very high96.2Very high78 Ų7861.7 Ų61.748%0.47932%0.318SS..  trans-72.5-19.9-177.759.90000113.5V199 S205 E207V199-T201 PolarHBondContact O-N 2.94Å; T201-S205 PolarHBondContact N-O 2.79Å; T201-S205 VanDerWaalsContact OG1-C 3.28Å; T201-S205 WeakPolarHBondContact OG1-CB 3.34Å; T201-S205 PolarHBondContact OG1-O 2.84Å; T201-S205 PolarHBondContact OG1-OG 2.92Å; T201-E207 HydrophobicContact CG2-CB 4.11Å
202G95.6Very high96.1Very high13 Ų1363.6 Ų63.613%0.13433%0.328CS..SBendtrans-162.9-168.2-178.900000113.3R200 S204 S205R200-G202 VanDerWaalsContact C-N 3.28Å; R200-G202 VanDerWaalsContact CG-O 3.22Å; R200-G202 WeakPolarHBondContact CG-O 3.49Å; R200-G202 PolarHBondContact NE-O 3.41Å; R200-G202 PolarHBondContact O-N 3.37Å; G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 2.88Å; G202-S205 VanDerWaalsContact CA-OG 3.27Å; G202-S205 WeakPolarHBondContact CA-OG 3.46Å; G202-S205 PolarHBondContact N-O 3.17Å; G202-S205 PolarHBondContact N-OG 3.17Å
203L91.2Very high96.2Very high148 Ų14863.3 Ų63.378%0.77534%0.337SS*.SBendtrans-60.5-41.3-179.3-67.6175.9000112.2V183 R200V183-L203 HydrophobicContact CG2-CD2 4.21Å; R200-L203 PolarHBondContact NH2-O 2.75Å
204S92.4Very high96.2Very high108 Ų10859 Ų5976%0.75532%0.317SS*.SBendtrans-132.918.9-179.164.40000113G202G202-S204 VanDerWaalsContact C-N 3.31Å; G202-S204 PolarHBondContact O-N 2.88Å
205S96.3Very high96Very high52 Ų5258.4 Ų58.436%0.36432%0.324SS..  trans-119.1139.9-179.464.10000111.1T201 G202T201-S205 PolarHBondContact N-O 2.79Å; T201-S205 VanDerWaalsContact OG1-C 3.28Å; T201-S205 WeakPolarHBondContact OG1-CB 3.34Å; T201-S205 PolarHBondContact OG1-O 2.84Å; T201-S205 PolarHBondContact OG1-OG 2.92Å; G202-S205 VanDerWaalsContact CA-OG 3.27Å; G202-S205 WeakPolarHBondContact CA-OG 3.46Å; G202-S205 PolarHBondContact N-O 3.17Å; G202-S205 PolarHBondContact N-OG 3.17Å
206W97.6Very high95.7Very high59 Ų5959.4 Ų59.422%0.22333%0.329CS..EExtended strand (participates in β ladder)trans-140.8143-169.1-53.795.1000109.7K178 L181 I198 V199 R200K178-W206 HydrophobicContact CB-CE3 4.45Å; K178-W206 HydrophobicContact CB-CH2 3.51Å; K178-W206 HydrophobicContact CB-CZ2 3.79Å; K178-W206 HydrophobicContact CB-CZ3 3.85Å; K178-W206 HydrophobicContact CD-CD2 3.99Å; K178-W206 HydrophobicContact CD-CE3 4.25Å; K178-W206 HydrophobicContact CD-CG 4.43Å; K178-W206 HydrophobicContact CD-CH2 4.46Å; K178-W206 HydrophobicContact CD-CZ2 4.2Å; K178-W206 HydrophobicContact CD-CZ3 4.45Å; K178-W206 HydrophobicContact CG-CD2 4.22Å; K178-W206 HydrophobicContact CG-CE3 3.98Å; K178-W206 HydrophobicContact CG-CH2 3.97Å; K178-W206 HydrophobicContact CG-CZ2 4.2Å; K178-W206 HydrophobicContact CG-CZ3 3.82Å; K178-W206 VanDerWaalsContact O-CH2 3.28Å; K178-W206 WeakPolarHBondContact O-CH2 3.44Å; L181-W206 HydrophobicContact CB-CZ3 4.49Å; L181-W206 HydrophobicContact CD1-CZ3 3.94Å; I198-W206 HydrophobicContact CG2-CB 4.48Å; I198-W206 HydrophobicContact CG2-CE3 3.85Å; V199-W206 WeakPolarHBondContact O-CA 3.38Å; R200-W206 HydrophobicContact CB-CE3 3.75Å; R200-W206 HydrophobicContact CB-CH2 4.03Å; R200-W206 HydrophobicContact CB-CZ3 3.39Å; R200-W206 HydrophobicContact CG-CD2 4.41Å; R200-W206 HydrophobicContact CG-CE3 3.87Å; R200-W206 HydrophobicContact CG-CH2 3.55Å; R200-W206 HydrophobicContact CG-CZ2 4.13Å; R200-W206 HydrophobicContact CG-CZ3 3.43Å; R200-W206 VanDerWaalsContact CG-CZ3 3.43Å
207E97.9Very high95.4Very high116 Ų11662.8 Ų62.854%0.54236%0.357SS..EExtended strand (participates in β ladder)trans-112.4135.2167.6-173.8-171.7150.800108.6I198 V199 T201I198-E207 CarbonylContact C-O 3.51Å; I198-E207 VanDerWaalsContact CA-O 3.29Å; I198-E207 WeakPolarHBondContact CA-O 3.34Å; V199-E207 HydrophobicContact CB-CB 4.37Å; V199-E207 PolarHBondContact N-O 2.91Å; V199-E207 PolarHBondContact O-N 3.09Å; T201-E207 HydrophobicContact CG2-CB 4.11Å
208T97.7Very high95.1Very high73 Ų7366 Ų6645%0.44838%0.38SS..EExtended strand (participates in β ladder)trans-127.6117.1-175.4-62.20000110.6T196 K197 I198T196-T208 HydrophobicContact CG2-CG2 3.49Å; T196-T208 VanDerWaalsContact CG2-CG2 3.49Å; K197-T208 WeakPolarHBondContact O-CA 3.41Å; I198-T208 HydrophobicContact CG1-CG2 4.19Å
209K97.9Very high94.8Very high135 Ų13566.9 Ų66.959%0.58739%0.385SS*.EExtended strand (participates in β ladder)trans-117.7117.1176.8-176.5179.8179.7-176.50110.1K197K197-K209 PolarHBondContact N-O 3.42Å; K197-K209 PolarHBondContact O-N 3.46Å
210K97.1Very high94.5Very high94 Ų9469 Ų6941%0.40940%0.398SS..EExtended strand (participates in β ladder)trans-77.3132.6169.4-58.5-164.9172.6-165.20108.6E192 K194 T196E192-K210 IonicContact OE2-NZ 2.68Å; E192-K210 PolarHBondContact OE2-NZ 3.33Å; K194-K210 HydrophobicContact CB-CD 4.21Å; K194-K210 HydrophobicContact CD-CD 3.91Å; T196-K210 HydrophobicContact CG2-CG 4.27Å
211I94.8Very high94.1Very high48 Ų4871.7 Ų71.725%0.24641%0.413CS..EExtended strand (participates in β ladder)trans-99.9-74-172-51.3169.6000109.5E71 A75 L195 K197E71-I211 HydrophobicContact CG-CG2 4.47Å; A75-I211 HydrophobicContact CB-CD1 3.61Å; L195-I211 HydrophobicContact CD2-CD1 4.2Å; L195-I211 HydrophobicContact CG-CD1 4.21Å; L195-I211 WeakPolarHBondContact O-CB 3.2Å; L195-I211 PolarHBondContact O-N 3.02Å; K197-I211 HydrophobicContact CB-CD1 4.12Å; K197-I211 HydrophobicContact CB-CG1 4.43Å
212I93.6Very high93.7Very high46 Ų4669.2 Ų69.224%0.23640%0.398CS..EExtended strand (participates in β ladder)trans-134.5154.7-17848.3166000110.6I68 E71 K194 L195 V214I68-I212 HydrophobicContact CD1-CD1 3.73Å; E71-I212 HydrophobicContact CG-CD1 4.36Å; K194-I212 CarbonylContact C-O 3.31Å; K194-I212 WeakPolarHBondContact CA-O 3.35Å; L195-I212 HydrophobicContact CB-CG1 3.95Å; L195-I212 HydrophobicContact CD2-CD1 4.32Å; L195-I212 HydrophobicContact CD2-CG1 4.13Å; L195-I212 PolarHBondContact N-O 3.07Å; I212-V214 HydrophobicContact CD1-CG1 3.94Å; I212-V214 HydrophobicContact CG1-CG1 3.94Å
213S93.5Very high92.9Very high90 Ų9077.9 Ų77.963%0.62943%0.433SS*.EExtended strand (participates in β ladder)trans-70.8136.6167.9-59.30000109.9E193E193-S213 WeakPolarHBondContact O-CA 3.42Å
214V92.9Very high91.5Very high10 Ų1077.1 Ų77.16%0.06143%0.425CS..  trans-146.1155.3-174.4-65.90000110.8M1 I68 P190 E193 L195 I212 F216M1-V214 HydrophobicContact CE-CB 3.85Å; M1-V214 HydrophobicContact CE-CG1 4.1Å; M1-V214 WeakPolarHBondContact SD-CA 3.5Å; M1-V214 HydrophobicContact SD-CB 3.43Å; M1-V214 WeakPolarHBondContact SD-CB 3.29Å; M1-V214 HydrophobicContact SD-CG1 3.67Å; I68-V214 HydrophobicContact CD1-CG1 3.98Å; P190-V214 HydrophobicContact CB-CG2 3.91Å; E193-V214 CarbonylContact C-O 3.54Å; E193-V214 VanDerWaalsContact C-O 3.31Å; E193-V214 WeakPolarHBondContact CA-O 3.09Å; E193-V214 WeakPolarHBondContact CB-O 3.36Å; E193-V214 PolarHBondContact O-N 2.98Å; L195-V214 HydrophobicContact CB-CG1 3.81Å; L195-V214 HydrophobicContact CB-CG2 4.08Å; L195-V214 VanDerWaalsContact N-CG2 3.3Å; I212-V214 HydrophobicContact CD1-CG1 3.94Å; I212-V214 HydrophobicContact CG1-CG1 3.94Å; V214-F216 HydrophobicContact CB-CD2 3.95Å; V214-F216 HydrophobicContact CB-CE2 3.85Å; V214-F216 HydrophobicContact CG1-CE2 4.29Å; V214-F216 HydrophobicContact CG2-CD2 3.81Å; V214-F216 HydrophobicContact CG2-CE2 3.86Å
215S91.4Very high89.8Confident76 Ų7675 Ų7553%0.53141%0.41SS..  trans-126.6125.2169.1-165.90000110.2M1 E193M1-S215 WeakPolarHBondContact CE-O 3.38Å; M1-S215 WeakPolarHBondContact CG-O 3.27Å; M1-S215 PolarHBondContact SD-N 3.28Å; E193-S215 WeakPolarHBondContact OE2-CA 3.46Å; E193-S215 PolarHBondContact OE2-OG 3.47Å; E193-S215 VanDerWaalsContact OE2-OG 3.13Å
216F91.4Very high87.9Confident21 Ų2179 Ų799%0.09244%0.435CS..  trans-128155.3-177.3-84.5-99.1000109.8M1 I68 G166 P190 V214M1-F216 HydrophobicContact CE-CD2 3.58Å; M1-F216 HydrophobicContact CE-CE1 4.43Å; M1-F216 HydrophobicContact CE-CE2 3.23Å; M1-F216 HydrophobicContact CE-CG 4.34Å; M1-F216 HydrophobicContact CE-CZ 3.73Å; I68-F216 HydrophobicContact CG2-CE2 4.29Å; I68-F216 HydrophobicContact CG2-CZ 3.75Å; G166-F216 VanDerWaalsContact O-CD1 3.29Å; G166-F216 WeakPolarHBondContact O-CD1 3.43Å; P190-F216 HydrophobicContact CB-CB 4.34Å; P190-F216 HydrophobicContact CB-CD2 3.56Å; P190-F216 HydrophobicContact CB-CE2 3.99Å; P190-F216 HydrophobicContact CB-CG 4.07Å; P190-F216 HydrophobicContact CG-CB 4.12Å; P190-F216 HydrophobicContact CG-CD1 3.95Å; P190-F216 HydrophobicContact CG-CD2 3.27Å; P190-F216 HydrophobicContact CG-CE1 4.09Å; P190-F216 HydrophobicContact CG-CE2 3.42Å; P190-F216 VanDerWaalsContact CG-CE2 3.42Å; P190-F216 HydrophobicContact CG-CG 3.53Å; P190-F216 HydrophobicContact CG-CZ 3.83Å; V214-F216 HydrophobicContact CB-CD2 3.95Å; V214-F216 HydrophobicContact CB-CE2 3.85Å; V214-F216 HydrophobicContact CG1-CE2 4.29Å; V214-F216 HydrophobicContact CG2-CD2 3.81Å; V214-F216 HydrophobicContact CG2-CE2 3.86Å
217A90.9Very high85.7Confident72 Ų7285.9 Ų85.960%0.59547%0.466SS*.PPolyproline II helixtrans-60.9134.7165.600000109.4A167 G168A167-A217 WeakPolarHBondContact CA-O 3.49Å; A167-A217 WeakPolarHBondContact CB-O 3.29Å; G168-A217 PolarHBondContact N-O 3.46Å
218P91.5Very high83.7Confident92 Ų9283.5 Ų83.560%0.59746%0.462SS*.BIsolated β-bridgetrans-68151.1-179.128.7-35.5000111.4V220P218-V220 PolarHBondContact O-N 3.1Å
219L92.4Very high81.8Confident17 Ų1789.2 Ų89.29%0.08948%0.481CS..PPolyproline II helixtrans-60.5128.1179.3-154.369000111.5L151 A167 G168 M177 L221L151-L219 HydrophobicContact CD1-CD2 3.88Å; L151-L219 HydrophobicContact CD2-CD2 3.88Å; L151-L219 HydrophobicContact CG-CD2 3.81Å; A167-L219 HydrophobicContact CB-CD1 3.68Å; G168-L219 WeakPolarHBondContact O-CB 3.48Å; G168-L219 PolarHBondContact O-N 3.32Å; M177-L219 HydrophobicContact CE-CD2 3.38Å; L219-L221 PolarHBondContact O-N 2.82Å
220V92.5Very high80.1Confident77 Ų7786.4 Ų86.447%0.46748%0.476SS..  trans-74.1113.2-179.9-178.40000109.7L113 N149 P218L113-V220 HydrophobicContact CD2-CB 3.84Å; L113-V220 HydrophobicContact CD2-CG1 3.92Å; L113-V220 HydrophobicContact CD2-CG2 3.95Å; N149-V220 PolarHBondContact ND2-O 3.43Å; P218-V220 PolarHBondContact O-N 3.1Å
221L91.3Very high78.8Confident81 Ų8189.2 Ų89.242%0.42449%0.489SS..  trans-68.1144.2179.3-56.5-175.4000112.2L151 H173 L219 K223L151-L221 HydrophobicContact CD1-CD2 3.88Å; H173-L221 VanDerWaalsContact NE2-CD2 3.34Å; H173-L221 WeakPolarHBondContact NE2-CD2 3.37Å; L219-L221 PolarHBondContact O-N 2.82Å; L221-K223 PolarHBondContact O-N 3.39Å
222P87Confident78.1Confident25 Ų2591.6 Ų91.616%0.16250%0.5CS..  trans-56.4128.8174-27.435.5000112.9L151 E152 H224L151-P222 HydrophobicContact CB-CG 3.92Å; E152-P222 HydrophobicContact CG-CB 4.09Å; E152-P222 HydrophobicContact CG-CG 3.81Å; P222-H224 VanDerWaalsContact C-N 3.28Å; P222-H224 PolarHBondContact O-N 2.89Å
223K78.9Confident77.6Confident196 Ų19689.4 Ų89.485%0.85249%0.489SS*.  trans-81.472.7177-67.6-178.9-179.2175.50110.5L221 S225L221-K223 PolarHBondContact O-N 3.39Å; K223-S225 PolarHBondContact O-N 3.22Å
224H62.9Low77.2Confident132 Ų13289.3 Ų89.361%0.61149%0.486SS*.  trans-65.295.7178.6-64.7-43.8000112.1E152 P222E152-H224 IonicContact OE1-CE1 3.84Å; P222-H224 VanDerWaalsContact C-N 3.28Å; P222-H224 PolarHBondContact O-N 2.89Å
225S56.4Low77Confident64 Ų6489.6 Ų89.645%0.44849%0.487SS..  trans-73.6132.4160.7172.50000108.9K223 K227 S228K223-S225 PolarHBondContact O-N 3.22Å; S225-K227 PolarHBondContact O-N 2.91Å; S225-S228 WeakPolarHBondContact CB-OG 3.42Å; S225-S228 PolarHBondContact O-N 3.2Å; S225-S228 VanDerWaalsContact O-N 3.09Å; S225-S228 PolarHBondContact O-OG 3Å
226P55.3Low76.9Confident136 Ų13687.6 Ų87.688%0.88347%0.472SS*.THydrogen-bonded Turntrans-67.74.6-176.928.6-36.4000114.4
227K52.5Low76.5Confident203 Ų20395.1 Ų95.188%0.88351%0.505SS*.THydrogen-bonded Turntrans-117.4-6.1176.3-63-175.8179.6-179.70113.9S225S225-K227 PolarHBondContact O-N 2.91Å
228S55.1Low75.7Confident65 Ų6597.6 Ų97.646%0.45550%0.5SS..SBendtrans-101.8133.1176.853.60000110.9S225S225-S228 WeakPolarHBondContact CB-OG 3.42Å; S225-S228 PolarHBondContact O-N 3.2Å; S225-S228 VanDerWaalsContact O-N 3.09Å; S225-S228 PolarHBondContact O-OG 3Å
229K58.2Low75.1Confident194 Ų194100.5 Ų100.584%0.84351%0.505SS*.PPolyproline II helixtrans-59.9143161.9-65.7-177.7178.5-178.30108.8K231K229-K231 PolarHBondContact O-N 3.36Å
230P61.8Low74.7Confident75 Ų75105.9 Ų105.949%0.48754%0.539SS..PPolyproline II helixtrans-56.8137.3175.824.5-33.9000110E152 M232E152-P230 WeakPolarHBondContact OE1-CA 3.34Å; E152-P230 WeakPolarHBondContact OE1-CB 3.46Å; P230-M232 PolarHBondContact O-N 3.42Å
231K71.1Confident74.4Confident154 Ų154105.5 Ų105.567%0.6753%0.529SS*.  trans-87.673.9-176.5-168.3-164.8173.5-167.70108.3E152 K229 A233E152-K231 PolarHBondContact OE1-N 2.99Å; K229-K231 PolarHBondContact O-N 3.36Å; K231-A233 PolarHBondContact O-N 3.05Å
232M80.5Confident74.4Confident97 Ų97105.2 Ų105.248%0.47853%0.53SS..  trans-49.3139.4-177.4-54.9-179.185.500111.3E152 P154 P230 P234E152-M232 CarbonylContact O-C 3.52Å; E152-M232 VanDerWaalsContact O-CA 3.3Å; E152-M232 WeakPolarHBondContact O-CA 3.25Å; P154-M232 HydrophobicContact CB-CE 3.66Å; P154-M232 HydrophobicContact CG-CB 4.32Å; P154-M232 HydrophobicContact CG-CE 3.93Å; P230-M232 PolarHBondContact O-N 3.42Å; M232-P234 VanDerWaalsContact C-CD 3.49Å; M232-P234 WeakPolarHBondContact O-CD 3.37Å
233A81.8Confident74.7Confident1 Ų1111.1 Ų111.11%0.00856%0.56CS.*  trans-101.683.1177.700000109.8V146 E152 P154 K231 L235V146-A233 HydrophobicContact CG1-CB 4.46Å; E152-A233 PolarHBondContact O-N 3.48Å; P154-A233 WeakPolarHBondContact CD-O 3.34Å; K231-A233 PolarHBondContact O-N 3.05Å; A233-L235 PolarHBondContact O-N 3.01Å; A233-L235 VanDerWaalsContact O-N 3.1Å
234P85.8Confident75.3Confident87 Ų87107 Ų10757%0.56554%0.544SS*.  trans-66.5113.4-177.628.4-35.7000110.5P154 M232P154-P234 HydrophobicContact CG-CB 4.46Å; M232-P234 VanDerWaalsContact C-CD 3.49Å; M232-P234 WeakPolarHBondContact O-CD 3.37Å
235L88.9Confident76.6Confident17 Ų17102.5 Ų102.59%0.08952%0.523CS..PPolyproline II helixtrans-61.8149.4174.4-79.6158.5000111.1L85 H109 I111 I153 Y160 A233 K237L85-L235 HydrophobicContact CD1-CD1 4.43Å; L85-L235 HydrophobicContact CD1-CD2 3.67Å; L85-L235 HydrophobicContact CD2-CD1 4.44Å; H109-L235 HydrophobicContact CB-CD2 4.03Å; I111-L235 HydrophobicContact CD1-CD1 4.4Å; I111-L235 HydrophobicContact CD1-CD2 3.8Å; I111-L235 HydrophobicContact CD1-CG 4.09Å; I111-L235 HydrophobicContact CG1-CD2 3.88Å; I153-L235 HydrophobicContact CD1-CD1 4.5Å; I153-L235 HydrophobicContact CG2-CD1 3.6Å; I153-L235 HydrophobicContact CG2-CG 4.46Å; Y160-L235 HydrophobicContact CE2-CD1 4.04Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.33Å; A233-L235 PolarHBondContact O-N 3.01Å; A233-L235 VanDerWaalsContact O-N 3.1Å; L235-K237 PolarHBondContact O-N 2.87Å
236P87.9Confident78.4Confident33 Ų33102.4 Ų102.421%0.21452%0.517CS..PPolyproline II helixtrans-59.1141179.4-19.732000110.8H109 S144 V146H109-P236 PolarHBondContact CE1-O 3.32Å; S144-P236 WeakPolarHBondContact OG-CG 3.19Å; V146-P236 HydrophobicContact CG2-CG 3.88Å
237K83.7Confident80.2Confident179 Ų17997.9 Ų97.978%0.77849%0.491SS*.PPolyproline II helixtrans-75.7137.6174.1-69.1-178.7-178.6175.20108.8L235 E239L235-K237 PolarHBondContact O-N 2.87Å; K237-E239 PolarHBondContact O-N 3.43Å; K237-E239 VanDerWaalsContact O-N 3.09Å
238Y74.8Confident82.1Confident125 Ų12589.5 Ų89.549%0.4945%0.454SS..  trans-73.7101.6170.9179-103.2000109.2V107V107-Y238 HydrophobicContact CG2-CD2 3.27Å; V107-Y238 HydrophobicContact CG2-CE2 3.5Å; V107-Y238 VanDerWaalsContact CG2-CE2 3.5Å; V107-Y238 HydrophobicContact CG2-CG 4.24Å
239E79.1Confident83.9Confident153 Ų15387.2 Ų87.272%0.71544%0.436SS*.PPolyproline II helixtrans-91.8154.7174.6-58.6-162.9165.700111K237 R241K237-E239 PolarHBondContact O-N 3.43Å; K237-E239 VanDerWaalsContact O-N 3.09Å; E239-R241 PolarHBondContact O-N 3.08Å
240V82.5Confident85.6Confident130 Ų13081.3 Ų81.379%0.78842%0.419SS*.PPolyproline II helixtrans-77.6118.3177.1-179.20000108.1
241R86.7Confident87.1Confident69 Ų6980.9 Ų80.926%0.2641%0.412SS..PPolyproline II helixtrans-48.5142.5176.9-71.6-164.7-174.8-79.2-0.8111.9P104 E239 E245 L246P104-R241 PolarHBondContact O-NE 3.27Å; P104-R241 PolarHBondContact O-NH2 2.91Å; E239-R241 PolarHBondContact O-N 3.08Å; R241-E245 HydrophobicContact CB-CB 4.37Å; R241-E245 WeakPolarHBondContact CD-OE1 3.47Å; R241-E245 WeakPolarHBondContact CG-OE1 3.49Å; R241-E245 IonicContact CZ-OE1 2.61Å; R241-E245 IonicContact NH1-OE1 3.42Å; R241-E245 PolarHBondContact NH1-OE1 3.44Å; R241-L246 HydrophobicContact CB-CD2 4.12Å; R241-L246 HydrophobicContact CB-CG 4.07Å
242T91.4Very high88.1Confident75 Ų7573.8 Ų73.846%0.4638%0.381SS..PPolyproline II helixtrans-61.8153.3177.663.30000111.4Q244 E245 L246T242-Q244 PolarHBondContact O-N 3.19Å; T242-E245 WeakPolarHBondContact CB-OE2 3.14Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.3Å; T242-E245 PolarHBondContact N-OE2 3.24Å; T242-E245 PolarHBondContact O-N 3.42Å; T242-E245 VanDerWaalsContact OG1-CG 3.31Å; T242-E245 WeakPolarHBondContact OG1-CG 3.3Å; T242-E245 PolarHBondContact OG1-N 2.91Å; T242-E245 VanDerWaalsContact OG1-N 3.15Å; T242-E245 PolarHBondContact OG1-OE2 3.42Å; T242-L246 WeakPolarHBondContact O-CG 3.28Å; T242-L246 PolarHBondContact O-N 2.93Å
243L93.6Very high88.6Confident149 Ų14973.6 Ų73.678%0.7838%0.378SS*.Hα-helixtrans-57.5-30.3172.9-178.760.5000111.9A247L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.4Å; L243-A247 PolarHBondContact O-N 3.46Å
244Q91.9Very high89.1Confident110 Ų11077.1 Ų77.151%0.51440%0.4SS..Hα-helixtrans-68.1-46.1178.4-165.3-172.2-28.400111.9T242 A247 R248 Y414T242-Q244 PolarHBondContact O-N 3.19Å; Q244-A247 PolarHBondContact O-N 3.23Å; Q244-R248 PolarHBondContact O-N 3.09Å; Q244-Y414 HydrophobicContact CG-CD1 4.37Å; Q244-Y414 HydrophobicContact CG-CE1 3.57Å; Q244-Y414 VanDerWaalsContact NE2-CZ 3.34Å; Q244-Y414 PolarHBondContact O-OH 2.78Å
245E90.6Very high89.4Confident37 Ų3774.4 Ų74.417%0.17338%0.38CS..Hα-helixtrans-62.9-45.9173-71.8163.282.800111.7R241 T242 A247 R248 I249 Y414R241-E245 HydrophobicContact CB-CB 4.37Å; R241-E245 WeakPolarHBondContact CD-OE1 3.47Å; R241-E245 WeakPolarHBondContact CG-OE1 3.49Å; R241-E245 IonicContact CZ-OE1 2.61Å; R241-E245 IonicContact NH1-OE1 3.42Å; R241-E245 PolarHBondContact NH1-OE1 3.44Å; T242-E245 WeakPolarHBondContact CB-OE2 3.14Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.3Å; T242-E245 PolarHBondContact N-OE2 3.24Å; T242-E245 PolarHBondContact O-N 3.42Å; T242-E245 VanDerWaalsContact OG1-CG 3.31Å; T242-E245 WeakPolarHBondContact OG1-CG 3.3Å; T242-E245 PolarHBondContact OG1-N 2.91Å; T242-E245 VanDerWaalsContact OG1-N 3.15Å; T242-E245 PolarHBondContact OG1-OE2 3.42Å; E245-A247 VanDerWaalsContact C-N 3.26Å; E245-A247 PolarHBondContact O-N 3.23Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 2.86Å; E245-R248 VanDerWaalsContact O-N 3.1Å; E245-I249 WeakPolarHBondContact O-CD1 3.22Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.1Å; E245-I249 PolarHBondContact O-N 2.72Å; E245-Y414 WeakPolarHBondContact CA-OH 3.22Å; E245-Y414 PolarHBondContact N-OH 3.12Å
246L93.1Very high89.3Confident61 Ų6175.3 Ų75.332%0.31938%0.383SS..Hα-helixtrans-61.2-37.5179.8-68.1172000111.4F105 R241 T242 C250F105-L246 HydrophobicContact CE1-CD2 3.87Å; R241-L246 HydrophobicContact CB-CD2 4.12Å; R241-L246 HydrophobicContact CB-CG 4.07Å; T242-L246 WeakPolarHBondContact O-CG 3.28Å; T242-L246 PolarHBondContact O-N 2.93Å; L246-C250 VanDerWaalsContact O-CB 3.28Å; L246-C250 WeakPolarHBondContact O-CB 3.23Å; L246-C250 PolarHBondContact O-N 3.32Å
247A93.8Very high89Confident41 Ų4177.7 Ų77.734%0.33940%0.396SS..Hα-helixtrans-64.9-46.2171.300000111.9L243 Q244 E245 I249 C250 I251L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.4Å; L243-A247 PolarHBondContact O-N 3.46Å; Q244-A247 PolarHBondContact O-N 3.23Å; E245-A247 VanDerWaalsContact C-N 3.26Å; E245-A247 PolarHBondContact O-N 3.23Å; A247-I249 PolarHBondContact O-N 3.45Å; A247-C250 PolarHBondContact O-N 3.48Å; A247-I251 WeakPolarHBondContact O-CB 3.49Å; A247-I251 WeakPolarHBondContact O-CD1 3.1Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.14Å; A247-I251 PolarHBondContact O-N 3.21Å
248R92.8Very high88.3Confident28 Ų2873.1 Ų73.111%0.10638%0.384CS..Hα-helixtrans-57.9-46.4176170.7172.272.9167.94.1112.5Q244 E245 I251 R252 Y414 L415 Y417Q244-R248 PolarHBondContact O-N 3.09Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 2.86Å; E245-R248 VanDerWaalsContact O-N 3.1Å; R248-I251 PolarHBondContact O-N 3.31Å; R248-R252 HydrophobicContact CG-CG 4.46Å; R248-R252 WeakPolarHBondContact O-CB 3.24Å; R248-R252 WeakPolarHBondContact O-CG 3.34Å; R248-R252 PolarHBondContact O-N 3.19Å; R248-Y414 HydrophobicContact CB-CD1 4.35Å; R248-Y414 HydrophobicContact CB-CE1 3.64Å; R248-Y414 WeakPolarHBondContact CD-O 3.31Å; R248-Y414 HydrophobicContact CG-CE1 4.26Å; R248-L415 HydrophobicContact CB-CD2 4.17Å; R248-L415 HydrophobicContact CG-CD2 4.13Å; R248-Y417 HydrophobicContact CG-CE2 4.31Å; R248-Y417 PolarHBondContact NH2-OH 3.31Å
249I92.3Very high87.4Confident16 Ų1669.5 Ų69.58%0.08238%0.375CS..Hα-helixtrans-58.8-51.6175.6-68155.2000109.7P104 F105 E245 A247 I251 R252 H253P104-I249 HydrophobicContact CB-CD1 3.6Å; P104-I249 HydrophobicContact CB-CG1 3.94Å; P104-I249 HydrophobicContact CB-CG2 4.22Å; P104-I249 HydrophobicContact CG-CD1 4.33Å; P104-I249 HydrophobicContact CG-CG1 4.31Å; P104-I249 HydrophobicContact CG-CG2 3.71Å; F105-I249 HydrophobicContact CZ-CG2 4.39Å; E245-I249 WeakPolarHBondContact O-CD1 3.22Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.1Å; E245-I249 PolarHBondContact O-N 2.72Å; A247-I249 PolarHBondContact O-N 3.45Å; I249-I251 PolarHBondContact O-N 2.9Å; I249-R252 PolarHBondContact O-N 2.88Å; I249-H253 WeakPolarHBondContact O-CB 3.42Å; I249-H253 PolarHBondContact O-N 2.86Å
250C93.2Very high86.2Confident70 Ų7069.4 Ų69.447%0.47338%0.379SS..Hα-helixtrans-62.4-40.1-178.4-171.50000113L246 A247 T254L246-C250 VanDerWaalsContact O-CB 3.28Å; L246-C250 WeakPolarHBondContact O-CB 3.23Å; L246-C250 PolarHBondContact O-N 3.32Å; A247-C250 PolarHBondContact O-N 3.48Å; C250-T254 WeakPolarHBondContact O-CB 3.33Å; C250-T254 PolarHBondContact O-N 3.22Å; C250-T254 PolarHBondContact O-OG1 2.96Å
251I93.6Very high84.3Confident67 Ų6766.8 Ų66.834%0.34438%0.378SS..Hα-helixtrans-67.5-52.9177.2-67.8163000110.4A247 R248 I249 H253 T254 L255 L415A247-I251 WeakPolarHBondContact O-CB 3.49Å; A247-I251 WeakPolarHBondContact O-CD1 3.1Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.14Å; A247-I251 PolarHBondContact O-N 3.21Å; R248-I251 PolarHBondContact O-N 3.31Å; I249-I251 PolarHBondContact O-N 2.9Å; I251-H253 VanDerWaalsContact C-N 3.31Å; I251-H253 PolarHBondContact O-N 3.14Å; I251-T254 PolarHBondContact O-N 2.77Å; I251-T254 VanDerWaalsContact O-N 3.1Å; I251-L255 HydrophobicContact CG2-CD1 3.96Å; I251-L255 HydrophobicContact CG2-CG 4.37Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.45Å; I251-L415 HydrophobicContact CB-CD2 3.88Å; I251-L415 HydrophobicContact CD1-CD2 4.08Å; I251-L415 HydrophobicContact CG2-CD1 3.88Å; I251-L415 HydrophobicContact CG2-CD2 3.73Å; I251-L415 HydrophobicContact CG2-CG 4.47Å
252R92.8Very high82Confident4 Ų466.5 Ų66.52%0.01540%0.397CS..Hα-helixtrans-57.1-44.2178.3-73.7170.464.278.90.5111.6D136 R248 I249 T254 L255 R256 I402 L415D136-R252 IonicContact OD1-CZ 3.94Å; D136-R252 IonicContact OD1-NH1 3.14Å; D136-R252 PolarHBondContact OD1-NH1 2.93Å; D136-R252 IonicContact OD1-NH2 3.93Å; D136-R252 PolarHBondContact OD1-NH2 2.84Å; R248-R252 HydrophobicContact CG-CG 4.46Å; R248-R252 WeakPolarHBondContact O-CB 3.24Å; R248-R252 WeakPolarHBondContact O-CG 3.34Å; R248-R252 PolarHBondContact O-N 3.19Å; I249-R252 PolarHBondContact O-N 2.88Å; R252-T254 PolarHBondContact O-N 3.15Å; R252-L255 PolarHBondContact O-N 3.23Å; R252-R256 WeakPolarHBondContact O-CG 3.15Å; R252-R256 PolarHBondContact O-N 2.98Å; R252-I402 HydrophobicContact CG-CD1 4.46Å; R252-L415 WeakPolarHBondContact CD-O 3.21Å; R252-L415 PolarHBondContact NH1-O 2.97Å
253H91.2Very high79.6Confident94 Ų9471 Ų7144%0.43542%0.418SS..Hα-helixtrans-60.1-44.1175.4-175.570.2000112.5E139 I249 I251 R256 V257E139-H253 IonicContact OE1-ND1 3.16Å; I249-H253 WeakPolarHBondContact O-CB 3.42Å; I249-H253 PolarHBondContact O-N 2.86Å; I251-H253 VanDerWaalsContact C-N 3.31Å; I251-H253 PolarHBondContact O-N 3.14Å; H253-R256 PolarHBondContact O-N 2.99Å; H253-V257 WeakPolarHBondContact O-CG2 3.48Å; H253-V257 PolarHBondContact O-N 2.78Å
254T91.8Very high77.3Confident75 Ų7567.8 Ų67.846%0.4642%0.421SS..Hα-helixtrans-66.6-39.9179.5-56.10000112.2C250 I251 R252 R256 T258C250-T254 WeakPolarHBondContact O-CB 3.33Å; C250-T254 PolarHBondContact O-N 3.22Å; C250-T254 PolarHBondContact O-OG1 2.96Å; I251-T254 PolarHBondContact O-N 2.77Å; I251-T254 VanDerWaalsContact O-N 3.1Å; R252-T254 PolarHBondContact O-N 3.15Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.05Å; T254-T258 WeakPolarHBondContact O-CG2 3.1Å; T254-T258 PolarHBondContact O-N 3.09Å; T254-T258 PolarHBondContact O-OG1 2.92Å
255L90.9Very high74.6Confident29 Ų2971.7 Ų71.715%0.15244%0.439CS..Hα-helixtrans-69.1-26.6176.1-65.4177.4000112.9I251 R252 T258 L398 R401 I402 L405I251-L255 HydrophobicContact CG2-CD1 3.96Å; I251-L255 HydrophobicContact CG2-CG 4.37Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.45Å; R252-L255 PolarHBondContact O-N 3.23Å; L255-T258 PolarHBondContact O-OG1 2.88Å; L255-L398 HydrophobicContact CB-CD1 3.61Å; L255-L398 HydrophobicContact CD1-CD1 4.23Å; L255-R401 HydrophobicContact CD2-CB 4.41Å; L255-R401 WeakPolarHBondContact O-CD 3.37Å; L255-R401 PolarHBondContact O-NH1 2.7Å; L255-I402 HydrophobicContact CD1-CG1 3.55Å; L255-L405 HydrophobicContact CD1-CD1 4.24Å; L255-L405 HydrophobicContact CD2-CD2 4.41Å
256R87.4Confident72Confident36 Ų3674.7 Ų74.714%0.13647%0.47CS..Hα-helixtrans-74.2-60.7170.1-73.7-171.4-91.7-145.611.1112D136 F138 E139 R252 H253 T254 T258 T259 L398D136-R256 PolarHBondContact O-NH1 2.96Å; F138-R256 VanDerWaalsContact C-NH1 3.35Å; F138-R256 VanDerWaalsContact O-CZ 3.23Å; F138-R256 PolarHBondContact O-NH1 3.27Å; F138-R256 PolarHBondContact O-NH2 3.44Å; E139-R256 IonicContact OE1-CZ 3.04Å; E139-R256 IonicContact OE1-NE 3.7Å; E139-R256 PolarHBondContact OE1-NE 2.87Å; E139-R256 IonicContact OE1-NH2 2.79Å; E139-R256 PolarHBondContact OE1-NH2 3.35Å; E139-R256 IonicContact OE2-NH2 2.9Å; E139-R256 PolarHBondContact OE2-NH2 3.36Å; R252-R256 WeakPolarHBondContact O-CG 3.15Å; R252-R256 PolarHBondContact O-N 2.98Å; H253-R256 PolarHBondContact O-N 2.99Å; T254-R256 VanDerWaalsContact C-N 3.29Å; T254-R256 PolarHBondContact O-N 3.05Å; R256-T258 PolarHBondContact O-N 3.07Å; R256-T259 PolarHBondContact O-N 3.45Å; R256-T259 PolarHBondContact O-OG1 3.31Å; R256-L398 HydrophobicContact CG-CD1 4.12Å; R256-L398 HydrophobicContact CG-CD2 3.95Å; R256-L398 HydrophobicContact CG-CG 4.46Å
257V81.4Confident69.6Low83 Ų8383.5 Ų83.550%0.50350%0.499SS..Hα-helixtrans-58.4-17.8-174.3173.60000113.9H253 T259H253-V257 WeakPolarHBondContact O-CG2 3.48Å; H253-V257 PolarHBondContact O-N 2.78Å; V257-T259 PolarHBondContact O-N 3.47Å
258T68.7Low66.6Low84 Ų8485.1 Ų85.152%0.51552%0.52SS..THydrogen-bonded Turntrans-82.218.117247.70000114.4T254 L255 R256 R401T254-T258 WeakPolarHBondContact O-CG2 3.1Å; T254-T258 PolarHBondContact O-N 3.09Å; T254-T258 PolarHBondContact O-OG1 2.92Å; L255-T258 PolarHBondContact O-OG1 2.88Å; R256-T258 PolarHBondContact O-N 3.07Å; T258-R401 PolarHBondContact O-NH1 2.89Å; T258-R401 PolarHBondContact O-NH2 3.38Å; T258-R401 PolarHBondContact OG1-NH1 2.91Å
259T57.2Low64Low49 Ų4996 Ų9630%0.30156%0.562SS.*SBendtrans-89.6-51.2163.647.80000111.4R256 V257 G261 G262 I397R256-T259 PolarHBondContact O-N 3.45Å; R256-T259 PolarHBondContact O-OG1 3.31Å; V257-T259 PolarHBondContact O-N 3.47Å; T259-G261 PolarHBondContact O-N 3.01Å; T259-G262 PolarHBondContact O-N 2.98Å; T259-G262 VanDerWaalsContact O-N 3.09Å; T259-I397 HydrophobicContact CG2-CG2 4.07Å
260D52.7Low61Low150 Ų15098.8 Ų98.880%0.80259%0.593SS**THydrogen-bonded Turntrans-74.13.2-161.2-53.1-3.9000114.8
261G42.8Very low58Low75 Ų75101.1 Ų101.177%0.77361%0.611SS**THydrogen-bonded Turntrans-109.79.1174.800000114.4T259T259-G261 PolarHBondContact O-N 3.01Å
262G39.7Very low55.4Low63 Ų63103.1 Ų103.165%0.64963%0.631SS**  trans-76.9-42.5-170.600000115.6T259T259-G262 PolarHBondContact O-N 2.98Å; T259-G262 VanDerWaalsContact O-N 3.09Å
263D39.4Very low52.3Low170 Ų170112.4 Ų112.491%0.90967%0.672SS**SBendtrans-93.5138-169.6-77.4-52.5000114.7Q265D263-Q265 PolarHBondContact O-N 2.95Å
264G46.8Very low49.5Very low82 Ų82113.6 Ų113.685%0.84569%0.69SS**  trans-88101.6-17000000114.2
265Q35.5Very low46.8Very low192 Ų192116.4 Ų116.490%0.89771%0.707SS**  trans-104.7133156.5-75-166.6-2.200112.1D263D263-Q265 PolarHBondContact O-N 2.95Å
266A35.2Very low43.9Very low99 Ų99117.9 Ų117.982%0.81873%0.73SS**  trans-66.6155.5179.100000111.7G268A266-G268 VanDerWaalsContact C-N 3.29Å; A266-G268 PolarHBondContact O-N 2.74Å
267R43.3Very low41.4Very low246 Ų246128.6 Ų128.693%0.92877%0.77SS**  trans-70.776.5-177.7-75.6177.5163170.7-4.9113.2
268G29.8Very low38.9Very low76 Ų76126.7 Ų126.778%0.78477%0.767SS**  trans-58.9138.7160.200000110.7A266A266-G268 VanDerWaalsContact C-N 3.29Å; A266-G268 PolarHBondContact O-N 2.74Å
269R39.3Very low37.5Very low257 Ų257130.2 Ų130.297%0.9778%0.782SS**  trans-117.480.1-169.9-168-177.4-171.7-177.22.5110.8
270G28.5Very low36.6Very low73 Ų73133.4 Ų133.475%0.75381%0.813SS**  trans-162.9144.7179.500000115
271S29.7Very low35.9Very low120 Ų120130.3 Ų130.384%0.83981%0.809SS**  trans49.787.7164.6-142.90000120.8
272S39.5Very low35.6Very low109 Ų109129.6 Ų129.676%0.76280%0.796SS**  trans26.892.1130.9-174.60000120.5
273F27.1Very low35.4Very low199 Ų199129.8 Ų129.887%0.87380%0.798SS**  trans-147.2116.4131-126-85000110.4V275F273-V275 PolarHBondContact O-N 2.82Å
274S32.9Very low35.5Very low118 Ų118129.1 Ų129.183%0.82579%0.793SS**  trans-96.669.1-167.262.60000113.5G276S274-G276 PolarHBondContact O-N 3.1Å
275V36.2Very low35.1Very low135 Ų135132.1 Ų132.182%0.81879%0.785SS**  trans-76119.4165-175.90000108.4F273F273-V275 PolarHBondContact O-N 2.82Å
276G29.5Very low35.2Very low60 Ų60131.8 Ų131.862%0.61978%0.78SS**  trans-76.1131.3-160.800000115.3S274 G278S274-G276 PolarHBondContact O-N 3.1Å; G276-G278 PolarHBondContact O-N 2.95Å
277R34.3Very low35.1Very low260 Ų260138.3 Ų138.398%0.98179%0.786SS**THydrogen-bonded Turntrans-63.978.2157.1-75.5-173.6172.4-146.4-5.7110.2
278G29.2Very low34.6Very low44 Ų44129.5 Ų129.545%0.45477%0.772SS.*THydrogen-bonded Turntrans-139.3-14.8-175.600000116.3G276 A282G276-G278 PolarHBondContact O-N 2.95Å; G278-A282 WeakPolarHBondContact O-CB 3.27Å
279L39Very low34.8Very low157 Ų157131.2 Ų131.282%0.82277%0.769SS**Hα-helixtrans-83.4-26.4-169.1-81.3159.7000115.2A281L279-A281 PolarHBondContact O-N 2.7Å
280A38.5Very low34.5Very low116 Ų116129.1 Ų129.196%0.95976%0.761SS**Hα-helixtrans-66.1-3.4-175.500000116.1
281A37.5Very low34.8Very low85 Ų85134.8 Ų134.870%0.70277%0.765SS**Hα-helixtrans-147.9-9.4177.500000115.4L279L279-A281 PolarHBondContact O-N 2.7Å
282A36.1Very low35.1Very low61 Ų61137.8 Ų137.850%0.50476%0.763SS.*Hα-helixtrans-87.8-22.2-170.100000115G278G278-A282 WeakPolarHBondContact O-CB 3.27Å
283G36.2Very low34.9Very low67 Ų67144.6 Ų144.669%0.69177%0.772SS**THydrogen-bonded Turntrans-72.7-34.7-171.900000115.4
284L41.3Very low35.2Very low155 Ų155145.6 Ų145.681%0.81277%0.77SS**THydrogen-bonded Turntrans-93.33.6-167.9-76.2161.9000115.2
285H38.4Very low35.2Very low145 Ų145151.8 Ų151.867%0.67178%0.775SS**SBendtrans-133.148.7-172.3-78.3-22.1000114.7
286K37.7Very low35Very low185 Ų185151.4 Ų151.480%0.80477%0.773SS**SBendtrans-126.34.7170.2-83.5-168.7176.5-179.90116.8
287Y34.1Very low35.1Very low236 Ų236156 Ų15693%0.92578%0.778SS**SBendtrans-114.2135.4169.5-70.6-77.1000111.4
288G32.6Very low35.1Very low62 Ų62154.7 Ų154.764%0.63977%0.773SS**SBendtrans100.8129.4-17600000113.7R290G288-R290 PolarHBondContact O-N 3.27Å
289P33.7Very low35.2Very low111 Ų111162.4 Ų162.472%0.72179%0.789SS**  trans-67.3128.5175.828.1-33.4000110.3F291P289-F291 PolarHBondContact O-N 2.93Å
290R33.6Very low34.7Very low214 Ų214163.3 Ų163.381%0.80879%0.788SS**  trans-64.693.9179.2-74.6-177.8172.7178.7-2.9111.1G288 K292G288-R290 PolarHBondContact O-N 3.27Å; R290-K292 VanDerWaalsContact C-N 3.25Å; R290-K292 PolarHBondContact O-N 3.39Å
291F34.3Very low34.2Very low192 Ų192163.9 Ų163.984%0.84278%0.784SS**  trans-6285.5166-91.9-85000110.4P289 R293P289-F291 PolarHBondContact O-N 2.93Å; F291-R293 PolarHBondContact O-N 2.69Å
292K34.9Very low33.8Very low183 Ų183166.3 Ų166.380%0.79679%0.785SS**  trans-57.2110.6163.4-68.6-176.8179-179.50107.1R290 R294R290-K292 VanDerWaalsContact C-N 3.25Å; R290-K292 PolarHBondContact O-N 3.39Å; K292-R294 PolarHBondContact O-N 2.9Å
293R35.1Very low33.5Very low251 Ų251169.6 Ų169.695%0.94780%0.799SS**  trans-65.971.8170.9-76.5-170.8174.8-167.2-0.2110.4F291 R295F291-R293 PolarHBondContact O-N 2.69Å; R293-R295 PolarHBondContact O-N 3.04Å
294R33.8Very low33.4Very low220 Ų220173.1 Ų173.183%0.8380%0.801SS**  trans-58.7121.6161.9-86.2-176161.2-177.4-5.5107K292 V296K292-R294 PolarHBondContact O-N 2.9Å; R294-V296 PolarHBondContact O-N 2.79Å
295R34Very low32.8Very low249 Ų249174.4 Ų174.494%0.9481%0.805SS**  trans-64.8101.2162.6-68.7-175.8-178-179.40.9106.8R293 H297R293-R295 PolarHBondContact O-N 3.04Å; R295-H297 PolarHBondContact O-N 3.05Å; R295-H297 VanDerWaalsContact O-N 3.12Å
296V31.4Very low32.6Very low127 Ų127174.8 Ų174.877%0.7781%0.811SS**  trans-73.5104.3178.81790000108.2R294 R298R294-V296 PolarHBondContact O-N 2.79Å; V296-R298 PolarHBondContact O-N 2.76Å
297H31.3Very low32.2Very low156 Ų156170.7 Ų170.772%0.72281%0.812SS**  trans-68.3116.7167.6-173.783.6000108.2R295 R299R295-H297 PolarHBondContact O-N 3.05Å; R295-H297 VanDerWaalsContact O-N 3.12Å; H297-R299 PolarHBondContact O-N 3.25Å; H297-R299 VanDerWaalsContact O-N 3.16Å
298R33.9Very low32Very low233 Ų233165.3 Ų165.388%0.87980%0.804SS**  trans-66110.6-168.6-169.2-179.5-171.7176.62.6110.8V296V296-R298 PolarHBondContact O-N 2.76Å
299R31.5Very low32Very low206 Ų206172.8 Ų172.878%0.77781%0.813SS**  trans-125.7144.7166.3-70-170.2173.9-170.7-2.1109.3H297H297-R299 PolarHBondContact O-N 3.25Å; H297-R299 VanDerWaalsContact O-N 3.16Å
300H29.1Very low31.8Very low176 Ų176174.3 Ų174.382%0.81581%0.81SS**  trans-62.9144.3-179.1-90.6-143.6000111.8
301C28.1Very low31.7Very low128 Ų128170.1 Ų170.187%0.86581%0.808SS**  trans-105125.3158.8-64.60000108.1
302N28.9Very low31.4Very low136 Ų136168 Ų16873%0.72781%0.811SS**  trans-104.6136.2167.3-90.27.7000109.6
303T30.7Very low31.1Very low130 Ų130164 Ų16480%0.79881%0.811SS**  trans73.6143.7148.3-48.50000119.8
304L32.7Very low30.8Very low141 Ų141156 Ų15674%0.73881%0.808SS**  trans-54.3159.1177.2-7259.6000114.9
305M28.8Very low30.5Very low181 Ų181149.5 Ų149.589%0.89281%0.808SS**  -157.5149.7107.2-102.2-57.5174.300112.4
306L33.6Very low30.2Very low154 Ų154141.5 Ų141.581%0.80680%0.803SS**  trans-98147.9168.9-93.7121.4000109.9
307A31Very low30.1Very low98 Ų98144.8 Ų144.881%0.8181%0.813SS**  trans-145.8145.3161.600000110
308T29.6Very low30.2Very low123 Ų123141.3 Ų141.376%0.75581%0.811SS**  trans-131.7174.7-177.242.20000110.7
309R31.4Very low30.8Very low219 Ų219136 Ų13683%0.82681%0.807SS**  trans84.5157170.4-55.4-178.3100.21597.2116.8
310Q29.2Very low30.8Very low144 Ų144130.6 Ų130.667%0.67381%0.806SS**  cis-169.5146.3-29.4-176.5162.33.200110
311V32Very low31Very low125 Ų125126.8 Ų126.876%0.75880%0.799SS**  trans-3.5139161.5-1770000120.1
312V29.3Very low31.4Very low149 Ų149127.9 Ų127.990%0.90380%0.796SS**  trans-150.1163.6142.61080000109.6
313A28.7Very low31.6Very low98 Ų98127.4 Ų127.481%0.8179%0.793SS**  trans-153162.7-16900000115.8
314G28Very low31.8Very low84 Ų84126.6 Ų126.687%0.86678%0.784SS**  trans117.4156.5171.900000114.8
315G26.7Very low31.9Very low82 Ų82126.4 Ų126.485%0.84578%0.784SS**  cis162.8139.5-11.200000114.7
316G27.6Very low32.1Very low81 Ų81124.3 Ų124.384%0.83578%0.776SS**  trans74.5171.7167.700000117.6
317M29.9Very low32.1Very low196 Ų196123.5 Ų123.597%0.96677%0.773SS**  cis-164.7159.8-27.6-155.3167.617800109.6
318A34.1Very low32.2Very low83 Ų83128.2 Ų128.269%0.68678%0.778SS**  trans-99.8166.6172.800000112
319P45.1Very low32.2Very low122 Ų122131.6 Ų131.679%0.79279%0.785SS**  -158.1167.89942.2-24.1000118.5
320A32.5Very low32Very low92 Ų92125 Ų12576%0.7679%0.785SS**  trans57.7154.3136.800000123.2
321S32.7Very low32Very low96 Ų96128.1 Ų128.167%0.67179%0.791SS**  cis-179.9170.2-15.152.80000112.8
322L36.3Very low32Very low151 Ų151127.5 Ų127.579%0.79179%0.787SS**  trans75.7154.4164.6-49.6174.6000116.3
323D33.8Very low32.2Very low127 Ų127126.3 Ų126.368%0.67977%0.772SS**  cis-171.2172.8-3.5-118.628.4000110
324N34.8Very low32.3Very low112 Ų112128.2 Ų128.260%0.59977%0.768SS**  cis-167.8161.1-18.7-145.5-37.5000112.1
325N33.8Very low32.5Very low137 Ų137132.6 Ų132.673%0.73377%0.766SS**  trans58.7165.4158.4-78.6-27.9000121.1
326N35Very low32.6Very low138 Ų138136.9 Ų136.974%0.73876%0.764SS**  cis-149.3174.512.8-156.77.3000115.2
327N31.7Very low32.7Very low137 Ų137137.9 Ų137.973%0.73377%0.765SS**  trans-70164.5178.8-64.1-20.6000117.3
328Q33.2Very low32.8Very low197 Ų197135.1 Ų135.192%0.92176%0.759SS**  -160.3169112.6-124.9178.5-12.600115.3
329E30.2Very low32.6Very low193 Ų193134.8 Ų134.890%0.90276%0.763SS**  trans-110.8170.6-169.6-57.1166.7110.500113.1
330G28.6Very low32Very low81 Ų81136.2 Ų136.284%0.83576%0.76SS**  trans-172139.3168.100000114.3
331R29.2Very low32Very low209 Ų209144 Ų14479%0.78977%0.769SS**  trans-147.1176-179.2173.5171.9170.5-162.1-7.2109.6E333R331-E333 IonicContact CZ-OE1 3.98Å; R331-E333 IonicContact NE-OE1 2.63Å; R331-E333 PolarHBondContact NE-OE1 2.88Å; R331-E333 IonicContact NH2-OE1 2.77Å; R331-E333 PolarHBondContact NH2-OE1 3.2Å; R331-E333 IonicContact NH2-OE2 2.7Å
332V31.5Very low31.8Very low112 Ų112147.8 Ų147.868%0.67978%0.776SS**  trans95.8112.1177.2-177.20000109.8
333E32.2Very low31.4Very low124 Ų124144 Ų14458%0.57977%0.774SS**  92.116250.9-70.1160.9-144.200112.2R331R331-E333 IonicContact CZ-OE1 3.98Å; R331-E333 IonicContact NE-OE1 2.63Å; R331-E333 PolarHBondContact NE-OE1 2.88Å; R331-E333 IonicContact NH2-OE1 2.77Å; R331-E333 PolarHBondContact NH2-OE1 3.2Å; R331-E333 IonicContact NH2-OE2 2.7Å
334D31Very low31.3Very low138 Ų138149.7 Ų149.774%0.73879%0.786SS**  trans72.5144.2179-51.9-19.8000117.4
335E32.3Very low31.2Very low176 Ų176155.5 Ų155.582%0.82280%0.799SS**  cis-156.2-163.7-19.2-130.9-174.1178.300112.4
336E29Very low31.6Very low172 Ų172155.3 Ų155.380%0.80481%0.806SS**  trans-61162.2-169.9-47-173.2131.200118.7
337A30.9Very low31.3Very low102 Ų102152.8 Ų152.884%0.84380%0.804SS**  -165.8151.4125.200000113.4
338V30.6Very low31.3Very low139 Ų139158.6 Ų158.684%0.84282%0.816SS**  trans-103.8150.9-176.8173.80000112.3
339G30.7Very low31.1Very low76 Ų76152.8 Ų152.878%0.78481%0.809SS**  trans-163.579173.600000116
340E31.8Very low31.1Very low152 Ų152149.7 Ų149.771%0.7181%0.808SS**  trans-68.6153.9169.6-67-170.9103.200113.3
341R32.2Very low31.4Very low255 Ų255157.3 Ų157.396%0.96281%0.812SS**  trans-161.2142.1135.2-109.2155.9-161.4-136.71.3113.5
342Q29.1Very low31.4Very low175 Ų175159.3 Ų159.382%0.81882%0.82SS**  trans-110.3158.2-176-58.7179.29.300113.3
343G28.3Very low31.4Very low72 Ų72158.7 Ų158.774%0.74283%0.826SS**  trans103.8156.8149.700000116.3
344R30.7Very low31.2Very low247 Ų247156.5 Ų156.593%0.93284%0.837SS**  cis-148.2156.31.8-70.4-177.4168.8176-4.7111.4
345R33.8Very low31.1Very low233 Ų233162.3 Ų162.388%0.87985%0.849SS**  trans-85.5160.2153.5-72.1-178.5173.6176.5-3.5110
346P40.8Very low30.8Very low133 Ų133157.5 Ų157.586%0.86485%0.847SS**  -132.4-161.4112.638.6-29.5000112.8
347A29.9Very low30.8Very low86 Ų86160.8 Ų160.871%0.71185%0.852SS**  trans-161.3174.4-149.300000115.5
348R31.4Very low30.9Very low258 Ų258163.6 Ų163.697%0.97485%0.852SS**  trans71.3129.6155.8-81.8-175.1167.2-175.5-2.7120.7
349G28.3Very low31.1Very low76 Ų76162.1 Ų162.178%0.78484%0.843SS**  trans159.4159.8142.100000112
350S31.5Very low31.3Very low127 Ų127166 Ų16689%0.88884%0.841SS**  cis-157.8166.9-47.6-160.90000108.3
351R34.3Very low31.9Very low241 Ų241167.8 Ų167.891%0.90985%0.849SS**  trans-75.4153.4-172.8-61.8174175.4165.6-5.2114.4
352R28.3Very low32.3Very low251 Ų251164.3 Ų164.395%0.94784%0.844SS**  trans-152.7162.2137-138175.5-175177.21.1112.2
353A31.7Very low32.8Very low99 Ų99163.8 Ų163.882%0.81884%0.841SS**  trans-132.4157.5175.900000110.5
354G27.8Very low33.5Very low79 Ų79164.4 Ų164.481%0.81483%0.831SS**  trans-135.8173.3177.900000111.3
355R29.3Very low34.3Very low259 Ų259156.7 Ų156.798%0.97781%0.811SS**  trans-148.9141.6-164-165.4-173.3-170.9-151.53.9113
356G26.9Very low34.8Very low76 Ų76153.5 Ų153.578%0.78481%0.806SS**  trans103.8153.1177.700000112.3
357R27.7Very low35.1Very low240 Ų240154.8 Ų154.891%0.90680%0.8SS**  cis-153.7159.913.7-173-170.8175.8-168.3-2.8110
358L34.2Very low36.1Very low162 Ų162157 Ų15785%0.84880%0.796SS**  trans-73.1138.1167.7-61.8150.7000111.4
359V33.7Very low36.9Very low107 Ų107150.9 Ų150.965%0.64878%0.779SS**  -161.9-179.9119.8-138.70000109.4
360E36.1Very low38Very low158 Ų158152.7 Ų152.774%0.73877%0.767SS**  trans59.684.6163.5-76.495.3-120.300118.8
361E43.6Very low39Very low189 Ų189148.8 Ų148.888%0.88374%0.742SS**  trans-96.3102.8147.7-65.8169.115400107
362E40.9Very low39.9Very low182 Ų182144.3 Ų144.385%0.8573%0.732SS**SBendtrans-175.4-17.6159.5-111.7167.2-161.600114.9
363E39.1Very low41.1Very low165 Ų165139.2 Ų139.277%0.77172%0.718SS**SBendtrans-83.5-4178.5-68.7-178.5144.800114.4V365E363-V365 VanDerWaalsContact C-N 3.32Å; E363-V365 PolarHBondContact O-N 3.05Å; E363-V365 VanDerWaalsContact O-N 3.13Å
364T44.2Very low42.2Very low85 Ų85141.3 Ų141.352%0.52171%0.705SS.*THydrogen-bonded Turntrans-88.536.1-167.367.30000115
365V47.1Very low43.4Very low85 Ų85143 Ų14352%0.51570%0.695SS.*THydrogen-bonded Turntrans-128.4-47.1177.9-175.30000110.6E363 E367 E368 E369E363-V365 VanDerWaalsContact C-N 3.32Å; E363-V365 PolarHBondContact O-N 3.05Å; E363-V365 VanDerWaalsContact O-N 3.13Å; V365-E367 VanDerWaalsContact C-N 3.3Å; V365-E367 PolarHBondContact O-N 2.9Å; V365-E368 PolarHBondContact O-N 3.05Å; V365-E368 VanDerWaalsContact O-N 3.08Å; V365-E369 PolarHBondContact O-N 3.27Å
366E44.5Very low44.5Very low165 Ų165137.6 Ų137.677%0.77168%0.681SS**Hα-helixtrans-66.3-31.9176.6-61.3-176.5170.300111.6E370E366-E370 WeakPolarHBondContact O-CB 3.38Å; E366-E370 PolarHBondContact O-N 3.46Å; E366-E370 VanDerWaalsContact O-N 3.14Å
367E47.2Very low45.8Very low160 Ų160141 Ų14175%0.74868%0.677SS**Hα-helixtrans-75.6-17.8171.4-69.2-163.7152.100114.2V365V365-E367 VanDerWaalsContact C-N 3.3Å; V365-E367 PolarHBondContact O-N 2.9Å
368E49.5Very low46.9Very low134 Ų134136.3 Ų136.363%0.62667%0.665SS**Hα-helixtrans-86.5-40.2174.5-67.5-169.7163.800110.7V365 A371 E372V365-E368 PolarHBondContact O-N 3.05Å; V365-E368 VanDerWaalsContact O-N 3.08Å; E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 3Å; E368-A371 VanDerWaalsContact O-N 3.16Å; E368-E372 PolarHBondContact O-N 3.46Å
369E49.1Very low47.8Very low129 Ų129134.3 Ų134.360%0.60365%0.652SS**Hα-helixtrans-66.4-41174-68.1-176.3168.700112.2V365 A371 E372 E373V365-E369 PolarHBondContact O-N 3.27Å; E369-A371 PolarHBondContact O-N 3.04Å; E369-E372 PolarHBondContact O-N 2.76Å; E369-E373 PolarHBondContact O-N 3.12Å; E369-E373 VanDerWaalsContact O-N 3.13Å
370E51.6Low48.7Very low114 Ų114136.1 Ų136.153%0.53365%0.653SS.*Hα-helixtrans-67.8-11.8172.1-96.2-155.2-141.700114.1E366 R374E366-E370 WeakPolarHBondContact O-CB 3.38Å; E366-E370 PolarHBondContact O-N 3.46Å; E366-E370 VanDerWaalsContact O-N 3.14Å; E370-R374 VanDerWaalsContact O-CD 3.28Å; E370-R374 WeakPolarHBondContact O-CD 3.26Å; E370-R374 VanDerWaalsContact O-CG 3.26Å; E370-R374 WeakPolarHBondContact O-CG 3.15Å; E370-R374 PolarHBondContact O-NE 3.37Å; E370-R374 IonicContact OE2-CZ 2.75Å; E370-R374 IonicContact OE2-NE 2.88Å; E370-R374 IonicContact OE2-NH2 2.79Å; E370-R374 PolarHBondContact OE2-NH2 3.11Å
371A52.9Low49.4Very low45 Ų45135.2 Ų135.237%0.37265%0.649SS.*Hα-helixtrans-89.4-45.6172.700000111.3E368 E369 E373 R374 D375E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 3Å; E368-A371 VanDerWaalsContact O-N 3.16Å; E369-A371 PolarHBondContact O-N 3.04Å; A371-E373 PolarHBondContact O-N 3.41Å; A371-R374 PolarHBondContact O-N 2.93Å; A371-R374 VanDerWaalsContact O-N 3.15Å; A371-D375 PolarHBondContact O-N 3.34Å
372E52.8Low49.7Very low147 Ų147133.4 Ų133.469%0.68764%0.64SS**Hα-helixtrans-62.3-40177-69-167.5156.800112E368 E369 R374 D375 E376E368-E372 PolarHBondContact O-N 3.46Å; E369-E372 PolarHBondContact O-N 2.76Å; E372-R374 VanDerWaalsContact C-N 3.27Å; E372-R374 PolarHBondContact O-N 3.3Å; E372-D375 PolarHBondContact O-N 2.95Å; E372-E376 PolarHBondContact O-N 2.66Å
373E53.5Low50.2Low143 Ų143129.9 Ų129.967%0.66862%0.622SS**Hα-helixtrans-62.8-30.9174.7-73.6-165.4155.700113E369 A371 E377E369-E373 PolarHBondContact O-N 3.12Å; E369-E373 VanDerWaalsContact O-N 3.13Å; A371-E373 PolarHBondContact O-N 3.41Å; E373-E377 PolarHBondContact O-N 2.93Å
374R53.8Low50.5Low143 Ų143128.7 Ų128.754%0.5462%0.617SS.*Hα-helixtrans-82.4-37178.4-67.6178-160.8-157.18.6113E370 A371 E372 E376 E377 E378E370-R374 VanDerWaalsContact O-CD 3.28Å; E370-R374 WeakPolarHBondContact O-CD 3.26Å; E370-R374 VanDerWaalsContact O-CG 3.26Å; E370-R374 WeakPolarHBondContact O-CG 3.15Å; E370-R374 PolarHBondContact O-NE 3.37Å; E370-R374 IonicContact OE2-CZ 2.75Å; E370-R374 IonicContact OE2-NE 2.88Å; E370-R374 IonicContact OE2-NH2 2.79Å; E370-R374 PolarHBondContact OE2-NH2 3.11Å; A371-R374 PolarHBondContact O-N 2.93Å; A371-R374 VanDerWaalsContact O-N 3.15Å; E372-R374 VanDerWaalsContact C-N 3.27Å; E372-R374 PolarHBondContact O-N 3.3Å; R374-E376 PolarHBondContact O-N 3.26Å; R374-E377 PolarHBondContact O-N 2.78Å; R374-E378 PolarHBondContact O-N 3.45Å
375D53Low50.6Low114 Ų114128.2 Ų128.261%0.6161%0.613SS**Hα-helixtrans-62.8-35.6171.4-80.2-0.3000109.7A371 E372 E379A371-D375 PolarHBondContact O-N 3.34Å; E372-D375 PolarHBondContact O-N 2.95Å; D375-E379 VanDerWaalsContact O-CB 3.3Å; D375-E379 WeakPolarHBondContact O-CB 3.28Å; D375-E379 PolarHBondContact O-N 2.96Å
376E53.7Low50.7Low147 Ų147125.8 Ų125.869%0.68761%0.606SS**Hα-helixtrans-68.3-42.2170.8-73.3-162.5165.200113.4E372 R374 E379 E380E372-E376 PolarHBondContact O-N 2.66Å; R374-E376 PolarHBondContact O-N 3.26Å; E376-E379 PolarHBondContact O-N 2.74Å; E376-E380 PolarHBondContact O-N 2.64Å
377E53.2Low50.7Low148 Ų148123.3 Ų123.369%0.69259%0.594SS**Hα-helixtrans-63.9-43174.4-78-167.5155.900112.5E373 R374 E380 E381E373-E377 PolarHBondContact O-N 2.93Å; R374-E377 PolarHBondContact O-N 2.78Å; E377-E380 PolarHBondContact O-N 3.24Å; E377-E381 PolarHBondContact O-N 3.07Å
378E52.3Low50.5Low141 Ų141122.4 Ų122.466%0.65959%0.594SS**Hα-helixtrans-66-36.4173.7-72.2-166.2-170.500111.3R374 E380 E381 E382R374-E378 PolarHBondContact O-N 3.45Å; E378-E380 PolarHBondContact O-N 2.82Å; E378-E381 PolarHBondContact O-N 2.92Å; E378-E382 WeakPolarHBondContact O-CB 3.4Å; E378-E382 PolarHBondContact O-N 2.78Å
379E51.7Low50.2Low120 Ų120122.6 Ų122.656%0.56160%0.599SS**Hα-helixtrans-68.1-28.9172.9-114-150.3-142.400113D375 E376 K383D375-E379 VanDerWaalsContact O-CB 3.3Å; D375-E379 WeakPolarHBondContact O-CB 3.28Å; D375-E379 PolarHBondContact O-N 2.96Å; E376-E379 PolarHBondContact O-N 2.74Å; E379-K383 VanDerWaalsContact C-NZ 3.28Å; E379-K383 WeakPolarHBondContact O-CG 3.43Å; E379-K383 PolarHBondContact O-N 2.82Å; E379-K383 PolarHBondContact O-NZ 2.78Å; E379-K383 WeakPolarHBondContact OE2-CE 3.06Å; E379-K383 IonicContact OE2-NZ 3.29Å; E379-K383 PolarHBondContact OE2-NZ 3.16Å
380E52.4Low49.9Very low144 Ų144123.6 Ų123.667%0.67360%0.597SS**Hα-helixtrans-77.7-39.2171.8-69.9-140138.100112.3E376 E377 E378 K383 E384E376-E380 PolarHBondContact O-N 2.64Å; E377-E380 PolarHBondContact O-N 3.24Å; E378-E380 PolarHBondContact O-N 2.82Å; E380-K383 PolarHBondContact O-N 3.4Å; E380-E384 PolarHBondContact O-N 3.23Å
381E50.5Low49.4Very low140 Ų140124 Ų12465%0.65461%0.609SS**Hα-helixtrans-63.9-39.4171.8-75.9-151.9161.400112E377 E378 K383 E384 T385E377-E381 PolarHBondContact O-N 3.07Å; E378-E381 PolarHBondContact O-N 2.92Å; E381-K383 VanDerWaalsContact C-N 3.31Å; E381-K383 PolarHBondContact O-N 3.47Å; E381-E384 PolarHBondContact O-N 2.88Å; E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.35Å; E381-T385 VanDerWaalsContact O-CG2 3.3Å; E381-T385 WeakPolarHBondContact O-CG2 3.01Å; E381-T385 PolarHBondContact O-N 2.81Å; E381-T385 PolarHBondContact O-OG1 3.01Å
382E51Low48.9Very low151 Ų151130.4 Ų130.471%0.70663%0.631SS**Hα-helixtrans-64-34171.9-79.4-144.4148.200112.3E378 T385 G386E378-E382 WeakPolarHBondContact O-CB 3.4Å; E378-E382 PolarHBondContact O-N 2.78Å; E382-T385 WeakPolarHBondContact CA-OG1 3.19Å; E382-T385 PolarHBondContact O-OG1 3.21Å; E382-G386 WeakPolarHBondContact O-CA 3.44Å; E382-G386 PolarHBondContact O-N 2.9Å
383K50.9Low48.9Very low107 Ų107129 Ų12947%0.46564%0.635SS.*Hα-helixtrans-70.7-45174.4-74.9175.8-15483.10112.3E379 E380 E381 G386 E387E379-K383 VanDerWaalsContact C-NZ 3.28Å; E379-K383 WeakPolarHBondContact O-CG 3.43Å; E379-K383 PolarHBondContact O-N 2.82Å; E379-K383 PolarHBondContact O-NZ 2.78Å; E379-K383 WeakPolarHBondContact OE2-CE 3.06Å; E379-K383 IonicContact OE2-NZ 3.29Å; E379-K383 PolarHBondContact OE2-NZ 3.16Å; E380-K383 PolarHBondContact O-N 3.4Å; E381-K383 VanDerWaalsContact C-N 3.31Å; E381-K383 PolarHBondContact O-N 3.47Å; K383-G386 PolarHBondContact O-N 3.37Å; K383-E387 WeakPolarHBondContact O-CG 3.49Å; K383-E387 PolarHBondContact O-N 3.18Å
384E45Very low49.2Very low141 Ų141125.8 Ų125.866%0.65963%0.633SS**Hα-helixtrans-71-42.5-179.6-168.1174-13500111.5E380 E381 G386 E387 L388E380-E384 PolarHBondContact O-N 3.23Å; E381-E384 PolarHBondContact O-N 2.88Å; E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 2.87Å; E384-E387 PolarHBondContact O-N 2.74Å; E384-L388 HydrophobicContact CG-CD1 4.21Å; E384-L388 WeakPolarHBondContact O-CD1 3.38Å; E384-L388 PolarHBondContact O-N 2.99Å
385T48.1Very low49.9Very low74 Ų74123.5 Ų123.545%0.45464%0.635SS.*Hα-helixtrans-65-36.1171.458.90000111.7E381 E382 E387 L388 L389E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.35Å; E381-T385 VanDerWaalsContact O-CG2 3.3Å; E381-T385 WeakPolarHBondContact O-CG2 3.01Å; E381-T385 PolarHBondContact O-N 2.81Å; E381-T385 PolarHBondContact O-OG1 3.01Å; E382-T385 WeakPolarHBondContact CA-OG1 3.19Å; E382-T385 PolarHBondContact O-OG1 3.21Å; T385-E387 PolarHBondContact O-N 3.01Å; T385-L388 PolarHBondContact O-N 3.02Å; T385-L389 VanDerWaalsContact O-CB 3.29Å; T385-L389 WeakPolarHBondContact O-CB 3.46Å; T385-L389 VanDerWaalsContact O-CG 3.26Å; T385-L389 WeakPolarHBondContact O-CG 3.46Å; T385-L389 PolarHBondContact O-N 2.89Å
386G48.3Very low51.3Low35 Ų35119.4 Ų119.436%0.36161%0.613SS.*Hα-helixtrans-63.8-32.9171.600000114.2E382 K383 E384E382-G386 WeakPolarHBondContact O-CA 3.44Å; E382-G386 PolarHBondContact O-N 2.9Å; K383-G386 PolarHBondContact O-N 3.37Å; E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 2.87Å
387E43.8Very low52.9Low112 Ų112116.2 Ų116.252%0.52360%0.6SS.*Hα-helixtrans-70.3-42.6169.4-69.4-121139.900111.6K383 E384 T385 L389 R390K383-E387 WeakPolarHBondContact O-CG 3.49Å; K383-E387 PolarHBondContact O-N 3.18Å; E384-E387 PolarHBondContact O-N 2.74Å; T385-E387 PolarHBondContact O-N 3.01Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.82Å; E387-R390 WeakPolarHBondContact O-CB 3.28Å; E387-R390 WeakPolarHBondContact O-CG 3.35Å; E387-R390 PolarHBondContact O-N 2.71Å; E387-R390 IonicContact OE1-CZ 2.82Å; E387-R390 IonicContact OE1-NH1 2.69Å; E387-R390 PolarHBondContact OE1-NH1 2.83Å; E387-R390 IonicContact OE1-NH2 3.41Å; E387-R390 PolarHBondContact OE1-NH2 2.98Å; E387-R390 IonicContact OE2-NH1 2.77Å; E387-R390 PolarHBondContact OE2-NH1 2.88Å
388L43.1Very low54.6Low142 Ų142109.7 Ų109.774%0.74357%0.57SS**Hα-helixtrans-65.8-32.6176-98.389000113.5E384 T385 R390E384-L388 HydrophobicContact CG-CD1 4.21Å; E384-L388 WeakPolarHBondContact O-CD1 3.38Å; E384-L388 PolarHBondContact O-N 2.99Å; T385-L388 PolarHBondContact O-N 3.02Å; L388-R390 VanDerWaalsContact C-N 3.28Å; L388-R390 PolarHBondContact O-N 3.06Å
389L44.2Very low56.4Low138 Ų138104.5 Ų104.572%0.72354%0.544SS*.THydrogen-bonded Turntrans-80.8-2.9-179.8-75.5169.6000113.7T385 E387 P391T385-L389 VanDerWaalsContact O-CB 3.29Å; T385-L389 WeakPolarHBondContact O-CB 3.46Å; T385-L389 VanDerWaalsContact O-CG 3.26Å; T385-L389 WeakPolarHBondContact O-CG 3.46Å; T385-L389 PolarHBondContact O-N 2.89Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.82Å; L389-P391 VanDerWaalsContact O-CD 3.3Å; L389-P391 WeakPolarHBondContact O-CD 3.4Å; L389-P391 VanDerWaalsContact O-N 3.13Å
390R41.4Very low58.2Low149 Ų149104.3 Ų104.356%0.56254%0.543SS*.SBendtrans-58.7117171.1-70-178.8-178.6145.46.8109.6E387 L388 Q392E387-R390 WeakPolarHBondContact O-CB 3.28Å; E387-R390 WeakPolarHBondContact O-CG 3.35Å; E387-R390 PolarHBondContact O-N 2.71Å; E387-R390 IonicContact OE1-CZ 2.82Å; E387-R390 IonicContact OE1-NH1 2.69Å; E387-R390 PolarHBondContact OE1-NH1 2.83Å; E387-R390 IonicContact OE1-NH2 3.41Å; E387-R390 PolarHBondContact OE1-NH2 2.98Å; E387-R390 IonicContact OE2-NH1 2.77Å; E387-R390 PolarHBondContact OE2-NH1 2.88Å; L388-R390 VanDerWaalsContact C-N 3.28Å; L388-R390 PolarHBondContact O-N 3.06Å; R390-Q392 PolarHBondContact O-N 3.17Å; R390-Q392 VanDerWaalsContact O-N 3.08Å
391P42.7Very low60.1Low122 Ų122101.5 Ų101.579%0.79253%0.526SS*.PPolyproline II helixtrans-62119.6178.225-32.9000108.8L389L389-P391 VanDerWaalsContact O-CD 3.3Å; L389-P391 WeakPolarHBondContact O-CD 3.4Å; L389-P391 VanDerWaalsContact O-N 3.13Å
392Q42Very low62.1Low180 Ų18094.8 Ų94.884%0.84150%0.495SS*.PPolyproline II helixtrans-54128.7-178.3-66.4-175.49.700109.4R390 A394R390-Q392 PolarHBondContact O-N 3.17Å; R390-Q392 VanDerWaalsContact O-N 3.08Å; Q392-A394 PolarHBondContact O-N 3.35Å
393P53.1Low64.1Low118 Ų11891 Ų9177%0.76648%0.479SS*.PPolyproline II helixtrans-59.1116.9-17222.5-33.3000109.7V395P393-V395 PolarHBondContact O-N 2.83Å
394A59.6Low66.1Low76 Ų7689 Ų8963%0.62849%0.489SS*.  trans-54.5111.3-166.600000111.5Q392 N396Q392-A394 PolarHBondContact O-N 3.35Å; A394-N396 PolarHBondContact O-N 2.98Å
395V67.9Low68.4Low94 Ų9484.3 Ų84.357%0.5747%0.468SS*.  trans-54.7115-168.5179.80000110.5P393 I397 E400P393-V395 PolarHBondContact O-N 2.83Å; V395-I397 VanDerWaalsContact C-N 3.28Å; V395-I397 HydrophobicContact CG1-CG1 4.46Å; V395-I397 PolarHBondContact O-N 3.08Å; V395-E400 VanDerWaalsContact CG1-CD 3.45Å; V395-E400 HydrophobicContact CG1-CG 4.42Å; V395-E400 WeakPolarHBondContact CG1-OE1 3.41Å; V395-E400 WeakPolarHBondContact CG1-OE2 3.49Å
396N82.9Confident70.6Confident28 Ų2887 Ų8715%0.1549%0.487CS..  trans-79.680.3-179.6-174.4-19.2000109.4D136 A394 L398 R399 E400 R419D136-N396 PolarHBondContact OD2-ND2 3.26Å; A394-N396 PolarHBondContact O-N 2.98Å; N396-L398 PolarHBondContact O-N 3.1Å; N396-L398 VanDerWaalsContact O-N 3.08Å; N396-L398 PolarHBondContact OD1-N 3.47Å; N396-R399 HydrophobicContact CB-CB 3.89Å; N396-R399 VanDerWaalsContact CG-CB 3.48Å; N396-R399 WeakPolarHBondContact O-CA 3.16Å; N396-R399 WeakPolarHBondContact O-CB 3.37Å; N396-R399 PolarHBondContact O-N 3.38Å; N396-R399 PolarHBondContact OD1-N 2.97Å; N396-E400 PolarHBondContact O-N 2.82Å; N396-R419 PolarHBondContact ND2-NH1 3.14Å
397I86.3Confident72.8Confident81 Ų8188.3 Ų88.342%0.41549%0.486SS..Hα-helixtrans-52.2-33-178.4-60171.4000111.7T259 V395 R401T259-I397 HydrophobicContact CG2-CG2 4.07Å; V395-I397 VanDerWaalsContact C-N 3.28Å; V395-I397 HydrophobicContact CG1-CG1 4.46Å; V395-I397 PolarHBondContact O-N 3.08Å; I397-R401 HydrophobicContact CG2-CG 4.37Å; I397-R401 VanDerWaalsContact O-CB 3.29Å; I397-R401 WeakPolarHBondContact O-CB 3.31Å; I397-R401 WeakPolarHBondContact O-CD 3.36Å; I397-R401 WeakPolarHBondContact O-CG 3.37Å; I397-R401 PolarHBondContact O-N 3.49Å
398L89.6Confident75.3Confident11 Ų1187.1 Ų87.16%0.05849%0.487CS..Hα-helixtrans-69.5-41.7175.7-178.457.4000111.7D136 L255 R256 N396 R401 I402D136-L398 HydrophobicContact CB-CB 4.36Å; D136-L398 HydrophobicContact CB-CD2 4.04Å; D136-L398 WeakPolarHBondContact O-CD2 3.41Å; L255-L398 HydrophobicContact CB-CD1 3.61Å; L255-L398 HydrophobicContact CD1-CD1 4.23Å; R256-L398 HydrophobicContact CG-CD1 4.12Å; R256-L398 HydrophobicContact CG-CD2 3.95Å; R256-L398 HydrophobicContact CG-CG 4.46Å; N396-L398 PolarHBondContact O-N 3.1Å; N396-L398 VanDerWaalsContact O-N 3.08Å; N396-L398 PolarHBondContact OD1-N 3.47Å; L398-R401 PolarHBondContact O-N 3.49Å; L398-I402 HydrophobicContact CD1-CD1 3.9Å; L398-I402 HydrophobicContact CD1-CG1 4.24Å; L398-I402 HydrophobicContact CG-CD1 3.87Å; L398-I402 WeakPolarHBondContact O-CD1 3.47Å; L398-I402 VanDerWaalsContact O-CG1 3.24Å; L398-I402 WeakPolarHBondContact O-CG1 3.36Å; L398-I402 PolarHBondContact O-N 2.86Å
399R89.4Confident77.7Confident32 Ų3284.6 Ų84.612%0.12147%0.472CS..Hα-helixtrans-60.8-50.6175-177.6174.7-167.174.76.7111.2N396 R401 I402 L403 L416 R419 K421N396-R399 HydrophobicContact CB-CB 3.89Å; N396-R399 VanDerWaalsContact CG-CB 3.48Å; N396-R399 WeakPolarHBondContact O-CA 3.16Å; N396-R399 WeakPolarHBondContact O-CB 3.37Å; N396-R399 PolarHBondContact O-N 3.38Å; N396-R399 PolarHBondContact OD1-N 2.97Å; R399-R401 PolarHBondContact O-N 3.37Å; R399-I402 PolarHBondContact O-N 2.66Å; R399-L403 HydrophobicContact CG-CD1 3.91Å; R399-L403 HydrophobicContact CG-CG 4.42Å; R399-L403 WeakPolarHBondContact O-CG 3.45Å; R399-L403 PolarHBondContact O-N 3.47Å; R399-L416 HydrophobicContact CB-CD2 4.05Å; R399-L416 HydrophobicContact CG-CD2 3.85Å; R399-R419 VanDerWaalsContact CZ-O 3.3Å; R399-R419 PolarHBondContact NH1-O 3.4Å; R399-R419 PolarHBondContact NH2-O 3.03Å; R399-K421 PolarHBondContact NE-O 3.23Å; R399-K421 VanDerWaalsContact NH2-N 3.2Å; R399-K421 PolarHBondContact NH2-O 3.41Å
400E90.4Very high80Confident115 Ų11582.6 Ų82.654%0.53747%0.467SS..Hα-helixtrans-56.4-48.6177.1-64.1-175.4139.600112V395 N396 I402 L403 G404V395-E400 VanDerWaalsContact CG1-CD 3.45Å; V395-E400 HydrophobicContact CG1-CG 4.42Å; V395-E400 WeakPolarHBondContact CG1-OE1 3.41Å; V395-E400 WeakPolarHBondContact CG1-OE2 3.49Å; N396-E400 PolarHBondContact O-N 2.82Å; E400-I402 VanDerWaalsContact C-N 3.3Å; E400-I402 PolarHBondContact O-N 3.22Å; E400-L403 PolarHBondContact O-N 3.4Å; E400-G404 PolarHBondContact O-N 2.69Å
401R91.3Very high82.5Confident85 Ų8579.6 Ų79.632%0.32146%0.462SS..Hα-helixtrans-62.4-34.8179.1-75173.3177.5-146-7.1112.9L255 T258 I397 L398 R399 L405L255-R401 HydrophobicContact CD2-CB 4.41Å; L255-R401 WeakPolarHBondContact O-CD 3.37Å; L255-R401 PolarHBondContact O-NH1 2.7Å; T258-R401 PolarHBondContact O-NH1 2.89Å; T258-R401 PolarHBondContact O-NH2 3.38Å; T258-R401 PolarHBondContact OG1-NH1 2.91Å; I397-R401 HydrophobicContact CG2-CG 4.37Å; I397-R401 VanDerWaalsContact O-CB 3.29Å; I397-R401 WeakPolarHBondContact O-CB 3.31Å; I397-R401 WeakPolarHBondContact O-CD 3.36Å; I397-R401 WeakPolarHBondContact O-CG 3.37Å; I397-R401 PolarHBondContact O-N 3.49Å; L398-R401 PolarHBondContact O-N 3.49Å; R399-R401 PolarHBondContact O-N 3.37Å; R401-L405 WeakPolarHBondContact O-CG 3.33Å
402I93.5Very high84.9Confident0 Ų075.1 Ų75.10%043%0.43CS..Hα-helixtrans-71-45174.2-69.1162.8000110.9R252 L255 L398 R399 E400 G404 L405 K412 L415 L416R252-I402 HydrophobicContact CG-CD1 4.46Å; L255-I402 HydrophobicContact CD1-CG1 3.55Å; L398-I402 HydrophobicContact CD1-CD1 3.9Å; L398-I402 HydrophobicContact CD1-CG1 4.24Å; L398-I402 HydrophobicContact CG-CD1 3.87Å; L398-I402 WeakPolarHBondContact O-CD1 3.47Å; L398-I402 VanDerWaalsContact O-CG1 3.24Å; L398-I402 WeakPolarHBondContact O-CG1 3.36Å; L398-I402 PolarHBondContact O-N 2.86Å; R399-I402 PolarHBondContact O-N 2.66Å; E400-I402 VanDerWaalsContact C-N 3.3Å; E400-I402 PolarHBondContact O-N 3.22Å; I402-G404 VanDerWaalsContact C-N 3.28Å; I402-G404 PolarHBondContact O-N 2.87Å; I402-L405 WeakPolarHBondContact O-CB 3.14Å; I402-L405 PolarHBondContact O-N 3.44Å; I402-L405 VanDerWaalsContact O-N 3.1Å; I402-K412 HydrophobicContact CG2-CB 4.11Å; I402-K412 HydrophobicContact CG2-CG 4.42Å; I402-L415 HydrophobicContact CD1-CB 4.04Å; I402-L415 HydrophobicContact CG1-CB 4.27Å; I402-L415 HydrophobicContact CG2-CB 3.74Å; I402-L415 HydrophobicContact CG2-CD1 4.11Å; I402-L416 HydrophobicContact CB-CD2 4.05Å; I402-L416 HydrophobicContact CB-CG 4.39Å; I402-L416 HydrophobicContact CD1-CD2 3.75Å; I402-L416 HydrophobicContact CD1-CG 4.4Å; I402-L416 HydrophobicContact CG2-CD1 4.32Å; I402-L416 HydrophobicContact CG2-CD2 4.05Å; I402-L416 HydrophobicContact CG2-CG 3.83Å
403L92.4Very high87.3Confident70 Ų7068.3 Ų68.337%0.36640%0.399SS..Hα-helixtrans-64.1-33.2179.3-69.9173.9000112.5R399 E400 L405 K412 L416R399-L403 HydrophobicContact CG-CD1 3.91Å; R399-L403 HydrophobicContact CG-CG 4.42Å; R399-L403 WeakPolarHBondContact O-CG 3.45Å; R399-L403 PolarHBondContact O-N 3.47Å; E400-L403 PolarHBondContact O-N 3.4Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 2.87Å; L403-K412 WeakPolarHBondContact O-CE 3.47Å; L403-K412 PolarHBondContact O-NZ 3.32Å; L403-L416 HydrophobicContact CD2-CD1 3.86Å; L403-L416 HydrophobicContact CG-CD1 4.27Å
404G92.5Very high89.1Confident66 Ų6663.9 Ų63.968%0.6837%0.367SS*.THydrogen-bonded Turntrans-74.8-4.7173.400000115.6E400 I402E400-G404 PolarHBondContact O-N 2.69Å; I402-G404 VanDerWaalsContact C-N 3.28Å; I402-G404 PolarHBondContact O-N 2.87Å
405L93.4Very high90.7Very high42 Ų4260.6 Ų60.622%0.2234%0.338CS..SBendtrans-70.4143.7176.1-66.6-179.1000111.8L255 R401 I402 L403 L407 K412 L415L255-L405 HydrophobicContact CD1-CD1 4.24Å; L255-L405 HydrophobicContact CD2-CD2 4.41Å; R401-L405 WeakPolarHBondContact O-CG 3.33Å; I402-L405 WeakPolarHBondContact O-CB 3.14Å; I402-L405 PolarHBondContact O-N 3.44Å; I402-L405 VanDerWaalsContact O-N 3.1Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 2.87Å; L405-L407 HydrophobicContact CB-CB 4.38Å; L405-L407 HydrophobicContact CB-CD1 4.07Å; L405-L407 HydrophobicContact CB-CG 3.97Å; L405-L407 HydrophobicContact CD1-CD1 3.63Å; L405-L407 HydrophobicContact CD1-CG 4.39Å; L405-L407 PolarHBondContact O-N 3.44Å; L405-K412 WeakPolarHBondContact O-CE 3.3Å; L405-L415 HydrophobicContact CD1-CD1 3.89Å
406P95.1Very high91.8Very high132 Ų13256.1 Ų56.186%0.85731%0.311SS*.SBendtrans-76.658.8171.834.5-36.7000111.2
407L94.6Very high92Very high62 Ų6256.7 Ų56.733%0.32531%0.311SS..SBendtrans-120.2150.2179.6-67.2179.7000111.1L405 L411 K412 L415L405-L407 HydrophobicContact CB-CB 4.38Å; L405-L407 HydrophobicContact CB-CD1 4.07Å; L405-L407 HydrophobicContact CB-CG 3.97Å; L405-L407 HydrophobicContact CD1-CD1 3.63Å; L405-L407 HydrophobicContact CD1-CG 4.39Å; L405-L407 PolarHBondContact O-N 3.44Å; L407-L411 HydrophobicContact CB-CB 4.34Å; L407-L411 HydrophobicContact CD1-CB 4.36Å; L407-L411 HydrophobicContact CD2-CD1 4.36Å; L407-K412 HydrophobicContact CB-CG 4.27Å; L407-K412 WeakPolarHBondContact O-CE 3.22Å; L407-L415 HydrophobicContact CD1-CD1 3.94Å
408P95.6Very high91.7Very high86 Ų8659.5 Ų59.556%0.55832%0.318SS*.  trans-57.3144.3166.6-23.634000112.2P410 L411 K412P408-P410 VanDerWaalsContact C-CD 3.46Å; P408-L411 WeakPolarHBondContact O-CB 3.45Å; P408-L411 PolarHBondContact O-N 2.88Å; P408-K412 PolarHBondContact O-N 2.9Å
409E93.1Very high91.3Very high90 Ų9059.1 Ų59.142%0.42132%0.316SS..Hα-helixtrans-54.9-38.1-174.2-151.353.1-118.100114.9L411 K412 M413E409-L411 PolarHBondContact O-N 2.92Å; E409-L411 VanDerWaalsContact O-N 3.16Å; E409-K412 PolarHBondContact O-N 3.49Å; E409-K412 VanDerWaalsContact O-N 3.11Å; E409-K412 WeakPolarHBondContact OE1-CB 3.37Å; E409-K412 WeakPolarHBondContact OE1-CD 3.39Å; E409-K412 VanDerWaalsContact OE2-CD 3.3Å; E409-K412 WeakPolarHBondContact OE2-CD 3.37Å; E409-K412 IonicContact OE2-NZ 2.78Å; E409-K412 PolarHBondContact OE2-NZ 2.76Å; E409-K412 VanDerWaalsContact OE2-NZ 3.12Å; E409-M413 PolarHBondContact O-N 3.17Å
410P93.5Very high90.2Very high95 Ų9565.8 Ų65.862%0.61735%0.348SS*.Hα-helixtrans-59-28174.1-26.836.5000114.6P408 Y414P408-P410 VanDerWaalsContact C-CD 3.46Å; P410-Y414 WeakPolarHBondContact O-CB 3.31Å; P410-Y414 PolarHBondContact O-N 3.23Å; P410-Y414 VanDerWaalsContact O-N 3.09Å
411L93.3Very high88.5Confident86 Ų8667.8 Ų67.845%0.4536%0.355SS..Hα-helixtrans-80.6-36175.5-63.7-173.9000112.1L407 P408 E409 Y414 L415L407-L411 HydrophobicContact CB-CB 4.34Å; L407-L411 HydrophobicContact CD1-CB 4.36Å; L407-L411 HydrophobicContact CD2-CD1 4.36Å; P408-L411 WeakPolarHBondContact O-CB 3.45Å; P408-L411 PolarHBondContact O-N 2.88Å; E409-L411 PolarHBondContact O-N 2.92Å; E409-L411 VanDerWaalsContact O-N 3.16Å; L411-Y414 PolarHBondContact O-N 3.45Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.24Å
412K94.2Very high88.4Confident29 Ų2967 Ų6713%0.12636%0.357CS..Hα-helixtrans-62.3-50.3171.4-66.8173.8178.4-1800110.3I402 L403 L405 L407 P408 E409 Y414 L415 L416I402-K412 HydrophobicContact CG2-CB 4.11Å; I402-K412 HydrophobicContact CG2-CG 4.42Å; L403-K412 WeakPolarHBondContact O-CE 3.47Å; L403-K412 PolarHBondContact O-NZ 3.32Å; L405-K412 WeakPolarHBondContact O-CE 3.3Å; L407-K412 HydrophobicContact CB-CG 4.27Å; L407-K412 WeakPolarHBondContact O-CE 3.22Å; P408-K412 PolarHBondContact O-N 2.9Å; E409-K412 PolarHBondContact O-N 3.49Å; E409-K412 VanDerWaalsContact O-N 3.11Å; E409-K412 WeakPolarHBondContact OE1-CB 3.37Å; E409-K412 WeakPolarHBondContact OE1-CD 3.39Å; E409-K412 VanDerWaalsContact OE2-CD 3.3Å; E409-K412 WeakPolarHBondContact OE2-CD 3.37Å; E409-K412 IonicContact OE2-NZ 2.78Å; E409-K412 PolarHBondContact OE2-NZ 2.76Å; E409-K412 VanDerWaalsContact OE2-NZ 3.12Å; K412-Y414 VanDerWaalsContact C-N 3.3Å; K412-Y414 PolarHBondContact O-N 2.92Å; K412-L415 CarbonylContact O-C 3.3Å; K412-L415 WeakPolarHBondContact O-CA 3.49Å; K412-L415 WeakPolarHBondContact O-CB 3.4Å; K412-L415 PolarHBondContact O-N 2.85Å; K412-L416 WeakPolarHBondContact O-CB 3.26Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.29Å; K412-L416 PolarHBondContact O-N 3.42Å
413M91.6Very high88.1Confident37 Ų3770.5 Ų70.518%0.18238%0.376CS..Hα-helixtrans-58.5-40.2175.8-68.1-59.1-80.600112E409 L415 L416 Y417 Y418 E420E409-M413 PolarHBondContact O-N 3.17Å; M413-L415 PolarHBondContact O-N 3.47Å; M413-L416 CarbonylContact O-C 3.55Å; M413-L416 WeakPolarHBondContact O-CA 3.3Å; M413-L416 PolarHBondContact O-N 2.92Å; M413-L416 VanDerWaalsContact O-N 3.14Å; M413-L416 HydrophobicContact SD-CD1 4.24Å; M413-Y417 PolarHBondContact O-N 2.66Å; M413-Y417 VanDerWaalsContact O-N 3.12Å; M413-Y418 HydrophobicContact CB-CD1 3.95Å; M413-Y418 HydrophobicContact CB-CE1 4.4Å; M413-Y418 WeakPolarHBondContact O-CA 3.3Å; M413-Y418 PolarHBondContact O-N 3.05Å; M413-E420 HydrophobicContact CE-CG 3.79Å
414Y91.8Very high87.9Confident25 Ų2570.5 Ų70.510%0.09838%0.376CS..Hα-helixtrans-62.7-39.7173.5179.8-109000113.7Q244 E245 R248 P410 L411 K412 L416 Y417 Y418Q244-Y414 HydrophobicContact CG-CD1 4.37Å; Q244-Y414 HydrophobicContact CG-CE1 3.57Å; Q244-Y414 VanDerWaalsContact NE2-CZ 3.34Å; Q244-Y414 PolarHBondContact O-OH 2.78Å; E245-Y414 WeakPolarHBondContact CA-OH 3.22Å; E245-Y414 PolarHBondContact N-OH 3.12Å; R248-Y414 HydrophobicContact CB-CD1 4.35Å; R248-Y414 HydrophobicContact CB-CE1 3.64Å; R248-Y414 WeakPolarHBondContact CD-O 3.31Å; R248-Y414 HydrophobicContact CG-CE1 4.26Å; P410-Y414 WeakPolarHBondContact O-CB 3.31Å; P410-Y414 PolarHBondContact O-N 3.23Å; P410-Y414 VanDerWaalsContact O-N 3.09Å; L411-Y414 PolarHBondContact O-N 3.45Å; K412-Y414 VanDerWaalsContact C-N 3.3Å; K412-Y414 PolarHBondContact O-N 2.92Å; Y414-L416 VanDerWaalsContact C-N 3.29Å; Y414-L416 PolarHBondContact O-N 3.18Å; Y414-Y417 PolarHBondContact O-N 3.29Å; Y414-Y418 HydrophobicContact CD2-CE2 4.11Å; Y414-Y418 AromaticContact CD2-CZ 4Å
415L92.2Very high87.6Confident6 Ų670.8 Ų70.83%0.03136%0.358CS..Hα-helixtrans-67.3-29173-70172.5000112.6R248 I251 R252 I402 L405 L407 L411 K412 M413 Y417R248-L415 HydrophobicContact CB-CD2 4.17Å; R248-L415 HydrophobicContact CG-CD2 4.13Å; I251-L415 HydrophobicContact CB-CD2 3.88Å; I251-L415 HydrophobicContact CD1-CD2 4.08Å; I251-L415 HydrophobicContact CG2-CD1 3.88Å; I251-L415 HydrophobicContact CG2-CD2 3.73Å; I251-L415 HydrophobicContact CG2-CG 4.47Å; R252-L415 WeakPolarHBondContact CD-O 3.21Å; R252-L415 PolarHBondContact NH1-O 2.97Å; I402-L415 HydrophobicContact CD1-CB 4.04Å; I402-L415 HydrophobicContact CG1-CB 4.27Å; I402-L415 HydrophobicContact CG2-CB 3.74Å; I402-L415 HydrophobicContact CG2-CD1 4.11Å; L405-L415 HydrophobicContact CD1-CD1 3.89Å; L407-L415 HydrophobicContact CD1-CD1 3.94Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.24Å; K412-L415 CarbonylContact O-C 3.3Å; K412-L415 WeakPolarHBondContact O-CA 3.49Å; K412-L415 WeakPolarHBondContact O-CB 3.4Å; K412-L415 PolarHBondContact O-N 2.85Å; M413-L415 PolarHBondContact O-N 3.47Å; L415-Y417 VanDerWaalsContact C-N 3.33Å
416L90.3Very high87.3Confident0 Ų072.6 Ų72.60%037%0.367CS..THydrogen-bonded Turntrans-86.48.9174.2-64.5171.1000113.6R399 I402 L403 K412 M413 Y414 Y418 R419R399-L416 HydrophobicContact CB-CD2 4.05Å; R399-L416 HydrophobicContact CG-CD2 3.85Å; I402-L416 HydrophobicContact CB-CD2 4.05Å; I402-L416 HydrophobicContact CB-CG 4.39Å; I402-L416 HydrophobicContact CD1-CD2 3.75Å; I402-L416 HydrophobicContact CD1-CG 4.4Å; I402-L416 HydrophobicContact CG2-CD1 4.32Å; I402-L416 HydrophobicContact CG2-CD2 4.05Å; I402-L416 HydrophobicContact CG2-CG 3.83Å; L403-L416 HydrophobicContact CD2-CD1 3.86Å; L403-L416 HydrophobicContact CG-CD1 4.27Å; K412-L416 WeakPolarHBondContact O-CB 3.26Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.29Å; K412-L416 PolarHBondContact O-N 3.42Å; M413-L416 CarbonylContact O-C 3.55Å; M413-L416 WeakPolarHBondContact O-CA 3.3Å; M413-L416 PolarHBondContact O-N 2.92Å; M413-L416 VanDerWaalsContact O-N 3.14Å; M413-L416 HydrophobicContact SD-CD1 4.24Å; Y414-L416 VanDerWaalsContact C-N 3.29Å; Y414-L416 PolarHBondContact O-N 3.18Å; L416-Y418 PolarHBondContact O-N 3.47Å; L416-Y418 VanDerWaalsContact O-N 3.15Å; L416-R419 VanDerWaalsContact O-CB 3.22Å; L416-R419 WeakPolarHBondContact O-CB 3.28Å; L416-R419 WeakPolarHBondContact O-CG 3.26Å; L416-R419 PolarHBondContact O-N 3.13Å
417Y87Confident86.8Confident40 Ų4068.6 Ų68.616%0.15733%0.334CS..THydrogen-bonded Turntrans55.428.8-175.7-80-112000113.9I129 F135 R248 M413 Y414 L415 R419I129-Y417 HydrophobicContact CG2-CD1 3.95Å; I129-Y417 HydrophobicContact CG2-CG 4.45Å; F135-Y417 HydrophobicContact CE1-CD1 4.14Å; F135-Y417 AromaticContact CE1-CD2 3.79Å; F135-Y417 HydrophobicContact CE1-CD2 3.79Å; F135-Y417 HydrophobicContact CE1-CE1 4.45Å; F135-Y417 HydrophobicContact CE1-CE2 4.13Å; F135-Y417 AromaticContact CE1-CG 3.79Å; F135-Y417 HydrophobicContact CE1-CG 3.79Å; F135-Y417 AromaticContact CZ-CD1 3.79Å; F135-Y417 HydrophobicContact CZ-CD1 3.79Å; F135-Y417 HydrophobicContact CZ-CD2 4.04Å; F135-Y417 AromaticContact CZ-CE1 3.77Å; F135-Y417 HydrophobicContact CZ-CE1 3.77Å; F135-Y417 HydrophobicContact CZ-CE2 4.03Å; F135-Y417 AromaticContact CZ-CG 3.92Å; F135-Y417 HydrophobicContact CZ-CG 3.92Å; F135-Y417 AromaticContact CZ-CZ 3.88Å; R248-Y417 HydrophobicContact CG-CE2 4.31Å; R248-Y417 PolarHBondContact NH2-OH 3.31Å; M413-Y417 PolarHBondContact O-N 2.66Å; M413-Y417 VanDerWaalsContact O-N 3.12Å; Y414-Y417 PolarHBondContact O-N 3.29Å; L415-Y417 VanDerWaalsContact C-N 3.33Å; Y417-R419 PolarHBondContact O-N 3.15Å
418Y81.7Confident86.2Confident141 Ų14169.1 Ų69.155%0.55334%0.335SS*.THydrogen-bonded Turntrans59.725.2-174-50.3-80.4000114.1M413 Y414 L416 E420M413-Y418 HydrophobicContact CB-CD1 3.95Å; M413-Y418 HydrophobicContact CB-CE1 4.4Å; M413-Y418 WeakPolarHBondContact O-CA 3.3Å; M413-Y418 PolarHBondContact O-N 3.05Å; Y414-Y418 HydrophobicContact CD2-CE2 4.11Å; Y414-Y418 AromaticContact CD2-CZ 4Å; L416-Y418 PolarHBondContact O-N 3.47Å; L416-Y418 VanDerWaalsContact O-N 3.15Å; Y418-E420 PolarHBondContact O-N 3.08Å
419R80.5Confident85.5Confident3 Ų367.8 Ų67.81%0.01132%0.318CS..  trans-67.8110.7174.5-67.6-177.777.3-158.91.7111.6I129 K130 T131 S132 D133 D136 N396 R399 L416 Y417I129-R419 VanDerWaalsContact O-CD 3.31Å; I129-R419 WeakPolarHBondContact O-CD 3.46Å; K130-R419 PolarHBondContact O-NE 3.22Å; K130-R419 PolarHBondContact O-NH2 3Å; K130-R419 VanDerWaalsContact O-NH2 3.15Å; T131-R419 PolarHBondContact O-NH2 2.99Å; T131-R419 VanDerWaalsContact O-NH2 3.07Å; S132-R419 PolarHBondContact O-NH1 3.16Å; S132-R419 PolarHBondContact O-NH2 2.97Å; D133-R419 IonicContact OD1-CZ 3.32Å; D133-R419 IonicContact OD1-NH1 3.4Å; D133-R419 PolarHBondContact OD1-NH1 2.66Å; D133-R419 IonicContact OD1-NH2 2.66Å; D133-R419 PolarHBondContact OD1-NH2 3.22Å; D136-R419 IonicContact OD2-CZ 3.4Å; D136-R419 IonicContact OD2-NH1 3.37Å; D136-R419 PolarHBondContact OD2-NH1 3.4Å; N396-R419 PolarHBondContact ND2-NH1 3.14Å; R399-R419 VanDerWaalsContact CZ-O 3.3Å; R399-R419 PolarHBondContact NH1-O 3.4Å; R399-R419 PolarHBondContact NH2-O 3.03Å; L416-R419 VanDerWaalsContact O-CB 3.22Å; L416-R419 WeakPolarHBondContact O-CB 3.28Å; L416-R419 WeakPolarHBondContact O-CG 3.26Å; L416-R419 PolarHBondContact O-N 3.13Å; Y417-R419 PolarHBondContact O-N 3.15Å
420E66.3Low84.8Confident171 Ų17165.9 Ų65.980%0.79931%0.309SS*.  trans-84.3119.8164.2-67.4176-172.500109.1M413 Y418M413-E420 HydrophobicContact CE-CG 3.79Å; Y418-E420 PolarHBondContact O-N 3.08Å
421K55.8Low84.1Confident158 Ų15863.3 Ų63.369%0.68728%0.281SS*.  trans-165.20177.2-88.3-155.5-179.8-174.80108.2T131 D133 R399T131-K421 VanDerWaalsContact O-CE 3.28Å; T131-K421 WeakPolarHBondContact O-CE 3.48Å; T131-K421 PolarHBondContact O-NZ 3.13Å; D133-K421 IonicContact OD1-NZ 3.06Å; D133-K421 PolarHBondContact OD1-NZ 3.17Å; D133-K421 IonicContact OD2-NZ 2.7Å; D133-K421 PolarHBondContact OD2-NZ 3.32Å; R399-K421 PolarHBondContact NE-O 3.23Å; R399-K421 VanDerWaalsContact NH2-N 3.2Å; R399-K421 PolarHBondContact NH2-O 3.41Å

Retrieved 421 of 421 residues in 136.1 ms (Link to these results)

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