A0A077ZEM0_TRITR Loading...

GTPase Der

AlphaFold DB , UniProt , Accession A0A077ZEM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 655 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
1M46.7Very low82.9Confident157 Ų15727.8 Ų27.877%0.77315%0.15SC*.  0177.80-61.2-175.6-132.500108.6D166M1-D166 HydrophobicContact CE-CB 3.91Å
2S63.6Low83.1Confident50 Ų5030 Ų3035%0.3517%0.167SC..PPolyproline II helixtrans-70.5136.1162.540.20000110
3N75.7Confident83.4Confident44 Ų4438.8 Ų38.824%0.23521%0.214CC..PPolyproline II helixtrans-59.8136.9172.4-69.628.1000109.8T5 E52N3-T5 PolarHBondContact O-N 3.27Å; N3-E52 WeakPolarHBondContact ND2-CB 3.44Å; N3-E52 PolarHBondContact ND2-OE2 2.86Å
4P87.6Confident84Confident23 Ų2336.1 Ų36.115%0.14920%0.199CC..PPolyproline II helixtrans-48.2137.9174-3136.8000111.7F53 S54 F163 P164P4-F53 HydrophobicContact CB-CB 4.42Å; P4-F53 CarbonylContact O-C 3.58Å; P4-F53 VanDerWaalsContact O-CA 3.27Å; P4-F53 WeakPolarHBondContact O-CA 3.48Å; P4-F53 WeakPolarHBondContact O-CB 3.42Å; P4-S54 PolarHBondContact O-N 3.12Å; P4-F163 HydrophobicContact CB-CB 4.12Å; P4-F163 HydrophobicContact CB-CD1 3.8Å; P4-F163 HydrophobicContact CB-CD2 3.68Å; P4-F163 HydrophobicContact CB-CE1 4.07Å; P4-F163 HydrophobicContact CB-CE2 3.94Å; P4-F163 HydrophobicContact CB-CG 3.59Å; P4-F163 HydrophobicContact CB-CZ 4.14Å; P4-F163 HydrophobicContact CG-CB 4.03Å; P4-F163 HydrophobicContact CG-CD2 3.62Å; P4-F163 HydrophobicContact CG-CE2 4.15Å; P4-F163 HydrophobicContact CG-CG 3.83Å; P4-P164 HydrophobicContact CG-CG 4.24Å
5T88.6Confident84.4Confident6 Ų634.9 Ų34.94%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-105.2129.8-175.3-54.50000111.5N3 S54 I56 A83 D84 V85 R253N3-T5 PolarHBondContact O-N 3.27Å; T5-S54 CarbonylContact C-O 3.5Å; T5-S54 VanDerWaalsContact CA-O 3.31Å; T5-S54 WeakPolarHBondContact CA-O 3.43Å; T5-I56 HydrophobicContact CG2-CD1 3.42Å; T5-I56 VanDerWaalsContact CG2-CD1 3.42Å; T5-I56 HydrophobicContact CG2-CG1 4.03Å; T5-A83 HydrophobicContact CG2-CB 3.87Å; T5-A83 CarbonylContact O-C 3.59Å; T5-A83 WeakPolarHBondContact O-CB 3.28Å; T5-D84 WeakPolarHBondContact CB-OD2 3.34Å; T5-D84 PolarHBondContact N-OD2 2.66Å; T5-D84 PolarHBondContact O-N 2.91Å; T5-V85 PolarHBondContact O-N 2.6Å; T5-V85 VanDerWaalsContact O-N 3.15Å; T5-R253 VanDerWaalsContact CB-NH2 3.27Å; T5-R253 PolarHBondContact OG1-NH2 3.11Å
6I92.6Very high84.7Confident0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-110.5129.8173.6-58.9-171.7000110.1F53 S54 I55 I56 V85 L87 A159 F163I6-F53 HydrophobicContact CB-CD2 4.46Å; I6-F53 HydrophobicContact CD1-CD2 3.6Å; I6-F53 HydrophobicContact CD1-CE2 3.73Å; I6-F53 HydrophobicContact CD1-CG 4.04Å; I6-F53 HydrophobicContact CD1-CZ 4.27Å; I6-F53 HydrophobicContact CG1-CD2 3.96Å; I6-F53 HydrophobicContact CG1-CE2 4.48Å; I6-F53 HydrophobicContact CG1-CG 4.41Å; I6-S54 PolarHBondContact N-O 3.5Å; I6-I55 HydrophobicContact CB-CG1 4.21Å; I6-I55 HydrophobicContact CG2-CD1 4.31Å; I6-I55 HydrophobicContact CG2-CG1 4.26Å; I6-I55 CarbonylContact O-C 3.58Å; I6-I55 WeakPolarHBondContact O-CA 3.37Å; I6-I56 PolarHBondContact O-N 2.92Å; I6-V85 WeakPolarHBondContact CA-O 3.36Å; I6-L87 HydrophobicContact CG2-CD1 3.48Å; I6-L87 VanDerWaalsContact CG2-CD1 3.48Å; I6-L87 HydrophobicContact CG2-CD2 4.44Å; I6-L87 HydrophobicContact CG2-CG 3.56Å; I6-A159 HydrophobicContact CD1-CB 4.06Å; I6-F163 HydrophobicContact CD1-CE1 3.85Å; I6-F163 HydrophobicContact CD1-CZ 3.95Å; I6-F163 HydrophobicContact CG1-CE1 3.94Å; I6-F163 HydrophobicContact CG1-CZ 4.31Å
7A92.1Very high84.8Confident0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-112.5130.117100000112.5V9 I56 T58 A79 A83 V85 L87A7-V9 HydrophobicContact CB-CG2 4.4Å; A7-I56 HydrophobicContact CB-CB 4.37Å; A7-T58 HydrophobicContact CB-CG2 4.12Å; A7-A79 HydrophobicContact CB-CB 3.57Å; A7-A83 HydrophobicContact CB-CB 3.37Å; A7-A83 VanDerWaalsContact N-CB 3.33Å; A7-V85 PolarHBondContact N-O 3.39Å; A7-L87 PolarHBondContact O-N 3.23Å
8I92.8Very high85Confident0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-91.6113.3173.2-57173.4000109.1K16 L19 F20 I55 I56 T58 L87 V89I8-K16 HydrophobicContact CG2-CB 3.72Å; I8-K16 HydrophobicContact CG2-CD 4.07Å; I8-K16 HydrophobicContact CG2-CG 3.94Å; I8-L19 HydrophobicContact CD1-CB 4.43Å; I8-F20 HydrophobicContact CD1-CB 3.74Å; I8-F20 HydrophobicContact CD1-CD2 4.33Å; I8-I55 HydrophobicContact CD1-CD1 3.73Å; I8-I55 HydrophobicContact CD1-CG1 4.14Å; I8-I55 HydrophobicContact CG1-CD1 4.11Å; I8-I55 HydrophobicContact CG1-CG1 4.27Å; I8-I56 PolarHBondContact N-O 3.32Å; I8-T58 PolarHBondContact O-N 2.91Å; I8-T58 PolarHBondContact O-OG1 3.37Å; I8-T58 VanDerWaalsContact O-OG1 3.1Å; I8-L87 HydrophobicContact CG1-CB 4.42Å; I8-L87 HydrophobicContact CG1-CD1 4.17Å; I8-V89 HydrophobicContact CG2-CG2 3.51Å
9V92.8Very high85.3Confident2 Ų235.2 Ų35.21%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-119.8160.5-176.7-171.60000109.9A7 T58 A76 A79 I86 L87 V89 V103 L107A7-V9 HydrophobicContact CB-CG2 4.4Å; V9-T58 HydrophobicContact CG2-CG2 4.13Å; V9-A76 HydrophobicContact CG1-CB 4.19Å; V9-A79 HydrophobicContact CG2-CB 3.26Å; V9-I86 HydrophobicContact CB-CG2 4.17Å; V9-I86 HydrophobicContact CG2-CG2 3.61Å; V9-L87 PolarHBondContact N-O 2.79Å; V9-V89 PolarHBondContact O-N 2.93Å; V9-V103 HydrophobicContact CG1-CG1 3.84Å; V9-L107 HydrophobicContact CB-CD1 4.46Å; V9-L107 HydrophobicContact CG1-CD1 4.35Å
10G91.1Very high85.5Confident1 Ų133.7 Ų33.71%0.0120%0.195CC..  trans144.6168.6178.400000111.5K16G10-K16 PolarHBondContact O-NZ 3.06Å
11R88.7Confident85.4Confident23 Ų2336.4 Ų36.49%0.08721%0.209CC..SBendtrans-62.9163.4178.467.3-177.7163.978.1-5.3112.2V14 I72 E94 T97 A99 D100R11-V14 HydrophobicContact CG-CG1 3.47Å; R11-V14 VanDerWaalsContact CG-CG1 3.47Å; R11-V14 WeakPolarHBondContact O-CG2 3.18Å; R11-I72 HydrophobicContact CB-CD1 4.3Å; R11-E94 IonicContact CZ-OE2 3.85Å; R11-E94 IonicContact NH1-OE2 2.75Å; R11-E94 PolarHBondContact NH1-OE2 3.4Å; R11-E94 IonicContact NH2-OE2 3.72Å; R11-E94 PolarHBondContact NH2-OE2 3.3Å; R11-T97 WeakPolarHBondContact CD-OG1 3.29Å; R11-T97 PolarHBondContact NE-OG1 3.06Å; R11-A99 HydrophobicContact CB-CB 4.16Å; R11-D100 VanDerWaalsContact CD-OD1 3.3Å; R11-D100 WeakPolarHBondContact CD-OD1 3.35Å; R11-D100 WeakPolarHBondContact CD-OD2 3.4Å; R11-D100 WeakPolarHBondContact CG-OD1 3.41Å; R11-D100 IonicContact CZ-OD2 3.37Å; R11-D100 IonicContact NE-OD1 2.59Å; R11-D100 PolarHBondContact NE-OD1 3.18Å; R11-D100 VanDerWaalsContact NE-OD1 3.17Å; R11-D100 IonicContact NE-OD2 2.78Å; R11-D100 PolarHBondContact NE-OD2 3.07Å; R11-D100 IonicContact NH2-OD2 3.6Å
12P85.1Confident87.3Confident54 Ų5432.9 Ų32.935%0.35119%0.187SC..THydrogen-bonded Turntrans-56.5156.4171.9-3039.6000113.5V14 F68P12-V14 PolarHBondContact O-N 3.04Å; P12-V14 VanDerWaalsContact O-N 3.09Å; P12-F68 HydrophobicContact CG-CD2 4.5Å; P12-F68 HydrophobicContact CG-CE2 3.7Å; P12-F68 HydrophobicContact CG-CZ 4.29Å
13N86.3Confident88.5Confident145 Ų14531.1 Ų31.178%0.77517%0.174SC*.THydrogen-bonded Turntrans61.87.6175.9-56.9-25.6000117.6G15 K120N13-G15 PolarHBondContact O-N 2.72Å; N13-K120 WeakPolarHBondContact O-CE 3.39Å; N13-K120 PolarHBondContact O-NZ 2.77Å
14V92Very high88.8Confident1 Ų129.4 Ų29.41%0.00617%0.166CC..SBendtrans-70.7-16.3167.7-58.60000113.6R11 P12 K16 V89 N119 K120R11-V14 HydrophobicContact CG-CG1 3.47Å; R11-V14 VanDerWaalsContact CG-CG1 3.47Å; R11-V14 WeakPolarHBondContact O-CG2 3.18Å; P12-V14 PolarHBondContact O-N 3.04Å; P12-V14 VanDerWaalsContact O-N 3.09Å; V14-K16 HydrophobicContact CG2-CD 4.44Å; V14-K16 HydrophobicContact CG2-CG 3.54Å; V14-V89 HydrophobicContact CB-CG1 4Å; V14-V89 HydrophobicContact CG2-CB 3.88Å; V14-V89 HydrophobicContact CG2-CG1 3.63Å; V14-V89 WeakPolarHBondContact CG2-O 3.39Å; V14-N119 PolarHBondContact O-ND2 2.66Å; V14-K120 WeakPolarHBondContact O-CE 3.33Å
15G89.8Confident87.7Confident18 Ų1829.7 Ų29.719%0.18617%0.173CC..  trans9924.3179.700000115.5N13 S17 T18 L19N13-G15 PolarHBondContact O-N 2.72Å; G15-S17 PolarHBondContact O-N 3.27Å; G15-T18 WeakPolarHBondContact O-CA 3.31Å; G15-T18 VanDerWaalsContact O-CB 3.3Å; G15-T18 WeakPolarHBondContact O-CB 3.33Å; G15-T18 PolarHBondContact O-N 3.16Å; G15-L19 PolarHBondContact O-N 3.13Å; G15-L19 VanDerWaalsContact O-N 3.13Å
16K90.5Very high86.2Confident13 Ų1336.2 Ų36.26%0.05720%0.203CC..Hα-helixtrans-46.4-55.7178-58.6-157.9-60.3-90.30112.6I8 G10 V14 T18 L19 F20 G59 V89I8-K16 HydrophobicContact CG2-CB 3.72Å; I8-K16 HydrophobicContact CG2-CD 4.07Å; I8-K16 HydrophobicContact CG2-CG 3.94Å; G10-K16 PolarHBondContact O-NZ 3.06Å; V14-K16 HydrophobicContact CG2-CD 4.44Å; V14-K16 HydrophobicContact CG2-CG 3.54Å; K16-T18 PolarHBondContact O-N 2.9Å; K16-L19 WeakPolarHBondContact O-CB 3.23Å; K16-L19 PolarHBondContact O-N 3.45Å; K16-F20 PolarHBondContact O-N 3.17Å; K16-G59 VanDerWaalsContact CE-N 3.35Å; K16-V89 HydrophobicContact CG-CB 4.43Å
17S86.1Confident83.9Confident58 Ų5843.8 Ų43.841%0.40623%0.232SC..Hα-helixtrans-64.4-23.5-179.6-37.50000113.3G15 N21 D57G15-S17 PolarHBondContact O-N 3.27Å; S17-N21 WeakPolarHBondContact O-CB 3.28Å; S17-N21 PolarHBondContact O-N 2.93Å; S17-N21 PolarHBondContact O-ND2 3.24Å; S17-D57 WeakPolarHBondContact CA-OD2 3.19Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact N-OD2 2.71Å; S17-D57 PolarHBondContact OG-OD2 2.96Å
18T88Confident81.6Confident73 Ų7349.9 Ų49.945%0.44826%0.263SS..Hα-helixtrans-74.4-37.4174.2-43.20000111.5G15 K16 R22G15-T18 WeakPolarHBondContact O-CA 3.31Å; G15-T18 VanDerWaalsContact O-CB 3.3Å; G15-T18 WeakPolarHBondContact O-CB 3.33Å; G15-T18 PolarHBondContact O-N 3.16Å; K16-T18 PolarHBondContact O-N 2.9Å; T18-R22 PolarHBondContact O-N 2.83Å
19L90.6Very high78.6Confident1 Ų154 Ų541%0.00529%0.292CS..Hα-helixtrans-70.9-46.9173.6-62.7164.1000110.4I8 G15 K16 N21 R22 I23 V89 N119 V144 L152I8-L19 HydrophobicContact CD1-CB 4.43Å; G15-L19 PolarHBondContact O-N 3.13Å; G15-L19 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CB 3.23Å; K16-L19 PolarHBondContact O-N 3.45Å; L19-N21 PolarHBondContact O-N 3.09Å; L19-R22 PolarHBondContact O-N 2.9Å; L19-I23 WeakPolarHBondContact O-CG1 3.08Å; L19-I23 PolarHBondContact O-N 2.65Å; L19-V89 HydrophobicContact CD1-CB 4.23Å; L19-V89 HydrophobicContact CD1-CG1 3.53Å; L19-V89 HydrophobicContact CD1-CG2 3.57Å; L19-N119 HydrophobicContact CD1-CB 4.23Å; L19-V144 HydrophobicContact CD2-CG2 3.87Å; L19-L152 HydrophobicContact CD2-CD2 3.72Å
20F89.3Confident75.6Confident5 Ų561.6 Ų61.62%0.02233%0.331CS..Hα-helixtrans-50.5-57.5174.3178.1-92.3000112I8 K16 R22 I23 A24 R41 I42 A44 I55 D57I8-F20 HydrophobicContact CD1-CB 3.74Å; I8-F20 HydrophobicContact CD1-CD2 4.33Å; K16-F20 PolarHBondContact O-N 3.17Å; F20-R22 PolarHBondContact O-N 3.37Å; F20-R22 VanDerWaalsContact O-N 3.14Å; F20-I23 PolarHBondContact O-N 2.99Å; F20-A24 VanDerWaalsContact O-CB 3.25Å; F20-A24 WeakPolarHBondContact O-CB 3.36Å; F20-A24 PolarHBondContact O-N 3.15Å; F20-R41 VanDerWaalsContact CE1-O 3.31Å; F20-R41 WeakPolarHBondContact CE1-O 3.46Å; F20-I42 VanDerWaalsContact CE2-O 3.26Å; F20-I42 WeakPolarHBondContact CE2-O 3.4Å; F20-A44 HydrophobicContact CE1-CB 4.35Å; F20-A44 HydrophobicContact CE2-CB 4.32Å; F20-A44 HydrophobicContact CZ-CB 3.76Å; F20-I55 HydrophobicContact CD2-CG1 4.29Å; F20-I55 HydrophobicContact CD2-CG2 4.14Å; F20-I55 HydrophobicContact CE2-CG2 3.92Å; F20-I55 WeakPolarHBondContact CE2-O 3.3Å; F20-D57 HydrophobicContact CB-CB 4.11Å; F20-D57 HydrophobicContact CD2-CB 3.68Å; F20-D57 HydrophobicContact CE2-CB 4.22Å; F20-D57 HydrophobicContact CG-CB 3.86Å
21N84Confident73.1Confident91 Ų9166 Ų6649%0.48736%0.357SS..Hα-helixtrans-66.5-15.5-178.7-75.9-66.9000113.3S17 L19 G25S17-N21 WeakPolarHBondContact O-CB 3.28Å; S17-N21 PolarHBondContact O-N 2.93Å; S17-N21 PolarHBondContact O-ND2 3.24Å; L19-N21 PolarHBondContact O-N 3.09Å; N21-G25 VanDerWaalsContact O-CA 3.29Å; N21-G25 WeakPolarHBondContact O-CA 3.31Å; N21-G25 PolarHBondContact O-N 3.15Å
22R86.6Confident70.7Confident82 Ų8272.7 Ų72.731%0.30939%0.389SS..Hα-helixtrans-82.9-50171.5-168.9158.3-58.3-131.92.3111.5T18 L19 F20 A24 G25 G146 S147 L152T18-R22 PolarHBondContact O-N 2.83Å; L19-R22 PolarHBondContact O-N 2.9Å; F20-R22 PolarHBondContact O-N 3.37Å; F20-R22 VanDerWaalsContact O-N 3.14Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.39Å; R22-G25 PolarHBondContact O-N 3.46Å; R22-G146 VanDerWaalsContact CZ-O 3.22Å; R22-G146 PolarHBondContact NE-O 3.06Å; R22-G146 PolarHBondContact NH2-O 2.96Å; R22-S147 VanDerWaalsContact NH2-C 3.26Å; R22-S147 PolarHBondContact NH2-O 3.49Å; R22-L152 HydrophobicContact CB-CD1 4.22Å; R22-L152 HydrophobicContact CG-CD1 3.78Å
23I87.8Confident68.9Low14 Ų1475.8 Ų75.87%0.07240%0.403CS..Hα-helixtrans-63.7-38.3-179.9-59.9162.5000111L19 F20 F53 I55 L87 L156L19-I23 WeakPolarHBondContact O-CG1 3.08Å; L19-I23 PolarHBondContact O-N 2.65Å; F20-I23 PolarHBondContact O-N 2.99Å; I23-F53 HydrophobicContact CG2-CE2 3.65Å; I23-F53 HydrophobicContact CG2-CZ 3.6Å; I23-I55 HydrophobicContact CB-CD1 3.93Å; I23-I55 HydrophobicContact CD1-CD1 3.71Å; I23-I55 HydrophobicContact CG1-CD1 4.44Å; I23-I55 HydrophobicContact CG2-CD1 3.7Å; I23-L87 HydrophobicContact CD1-CD1 4.46Å; I23-L156 HydrophobicContact CD1-CD2 4.4Å; I23-L156 HydrophobicContact CG2-CD2 4.35Å
24A82.4Confident67.2Low7 Ų770.4 Ų70.46%0.05838%0.375CS..THydrogen-bonded Turntrans-73.9-26.7171.300000113.7F20 R22 E26 I28 A44F20-A24 VanDerWaalsContact O-CB 3.25Å; F20-A24 WeakPolarHBondContact O-CB 3.36Å; F20-A24 PolarHBondContact O-N 3.15Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.39Å; A24-E26 PolarHBondContact O-N 3.09Å; A24-I28 WeakPolarHBondContact O-CG1 3.25Å; A24-A44 HydrophobicContact CB-CB 3.37Å
25G65.4Low65.2Low30 Ų3076 Ų7631%0.30941%0.412SS..G310 helixtrans-75.3-22.2-165.900000115N21 R22 R27N21-G25 VanDerWaalsContact O-CA 3.29Å; N21-G25 WeakPolarHBondContact O-CA 3.31Å; N21-G25 PolarHBondContact O-N 3.15Å; R22-G25 PolarHBondContact O-N 3.46Å; G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 2.92Å
26E56.8Low63.5Low142 Ų14277.6 Ų77.666%0.66443%0.428SS*.G310 helixtrans-73.7-20.1-173-56.8-162.7165.400113.2A24A24-E26 PolarHBondContact O-N 3.09Å
27R44.3Very low61.8Low159 Ų15977.7 Ų77.760%0.643%0.43SS*.G310 helixtrans-133.443.8174.9-77.2-149.4-174.4-161.318.1115G25 S29 E47G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 2.92Å; R27-S29 PolarHBondContact O-N 3.21Å; R27-E47 VanDerWaalsContact CD-OE2 3.27Å; R27-E47 WeakPolarHBondContact CD-OE2 3.4Å; R27-E47 IonicContact CZ-OE1 3.17Å; R27-E47 IonicContact CZ-OE2 2.7Å; R27-E47 IonicContact NE-OE1 3.68Å; R27-E47 PolarHBondContact NE-OE1 3.43Å; R27-E47 IonicContact NE-OE2 2.78Å; R27-E47 PolarHBondContact NE-OE2 3.14Å; R27-E47 IonicContact NH1-OE2 2.83Å; R27-E47 PolarHBondContact NH1-OE2 3.16Å; R27-E47 IonicContact NH2-OE1 3.72Å; R27-E47 PolarHBondContact NH2-OE1 3.17Å; R27-E47 IonicContact NH2-OE2 2.69Å; R27-E47 PolarHBondContact NH2-OE2 2.96Å
28I43.1Very low60.1Low129 Ų12977.9 Ų77.966%0.66243%0.428SS*.  trans-76.862.6161.1-46.8-178000109.6A24 I30A24-I28 WeakPolarHBondContact O-CG1 3.25Å; I28-I30 PolarHBondContact O-N 3Å
29S29.9Very low58.4Low86 Ų8678.6 Ų78.660%0.60142%0.423SS*.  trans-8683.9-174.955.70000111.8R27 V31R27-S29 PolarHBondContact O-N 3.21Å; S29-V31 PolarHBondContact O-N 3.27Å
30I30.9Very low56.8Low162 Ų16280.4 Ų80.483%0.83143%0.432SS*.  trans45.361.8161.6-40.5177.8000114.1I28I28-I30 PolarHBondContact O-N 3Å
31V37.8Very low55.3Low92 Ų9290 Ų9056%0.55847%0.469SS*.  trans-91.3117.3150.8-177.20000106S29 R39S29-V31 PolarHBondContact O-N 3.27Å; V31-R39 PolarHBondContact O-NH1 3.29Å; V31-R39 PolarHBondContact O-NH2 2.91Å
32E38.8Very low54.5Low165 Ų16586.4 Ų86.477%0.77145%0.449SS*.  trans-53.8145.2176.2-64.4-167.7128.500110.3T34 R39E32-T34 VanDerWaalsContact C-N 3.3Å; E32-T34 PolarHBondContact O-N 3.04Å; E32-R39 PolarHBondContact O-NH2 3.1Å
33D47.2Very low53.9Low119 Ų11984.5 Ų84.564%0.63644%0.442SS*.  trans-71.588.7171.7-72.2-64.2000108.4P35 R39D33-P35 VanDerWaalsContact O-CD 3.26Å; D33-P35 WeakPolarHBondContact O-CD 3.43Å; D33-P35 VanDerWaalsContact O-N 3.11Å; D33-R39 IonicContact OD1-CZ 3.37Å; D33-R39 VanDerWaalsContact OD1-CZ 3.31Å; D33-R39 IonicContact OD1-NE 3.98Å; D33-R39 IonicContact OD1-NH1 3.05Å; D33-R39 PolarHBondContact OD1-NH1 3.08Å; D33-R39 IonicContact OD2-NH1 3.1Å
34T49.3Very low53.4Low32 Ų3285.2 Ų85.220%0.19645%0.45CS..  trans-53.1115.3179.8-60.10000110.2E32 G36 V37 Y319E32-T34 VanDerWaalsContact C-N 3.3Å; E32-T34 PolarHBondContact O-N 3.04Å; T34-G36 PolarHBondContact O-N 3.34Å; T34-G36 VanDerWaalsContact O-N 3.08Å; T34-V37 HydrophobicContact CG2-CG2 4.29Å; T34-V37 PolarHBondContact O-N 3.38Å; T34-Y319 VanDerWaalsContact CG2-CB 3.44Å; T34-Y319 HydrophobicContact CG2-CG 4.07Å
35P51Low53.2Low118 Ų11890.4 Ų90.477%0.76647%0.471SS*.THydrogen-bonded Turntrans-59.4117.5-172.3-27.636.3000112.3D33D33-P35 VanDerWaalsContact O-CD 3.26Å; D33-P35 WeakPolarHBondContact O-CD 3.43Å; D33-P35 VanDerWaalsContact O-N 3.11Å
36G53.9Low54.1Low51 Ų5189.1 Ų89.153%0.52646%0.458SS..THydrogen-bonded Turntrans110.8-12.1-176.900000114.8T34T34-G36 PolarHBondContact O-N 3.34Å; T34-G36 VanDerWaalsContact O-N 3.08Å
37V54.7Low55.4Low16 Ų1685 Ų8510%0.09744%0.439CS..  trans-95.6120.8173.1-1760000110T34 E284 Y319T34-V37 HydrophobicContact CG2-CG2 4.29Å; T34-V37 PolarHBondContact O-N 3.38Å; V37-E284 HydrophobicContact CG1-CG 4.39Å; V37-Y319 HydrophobicContact CG2-CD1 4.1Å; V37-Y319 HydrophobicContact CG2-CD2 4Å; V37-Y319 HydrophobicContact CG2-CE1 4.04Å; V37-Y319 HydrophobicContact CG2-CE2 3.94Å; V37-Y319 HydrophobicContact CG2-CG 4.11Å
38T50.1Low57.6Low61 Ų6180.4 Ų80.437%0.37442%0.422SS..  trans-98.1106175.247.30000110.6D40 R277 Y281T38-D40 PolarHBondContact O-N 2.98Å; T38-R277 WeakPolarHBondContact OG1-CD 3.21Å; T38-R277 VanDerWaalsContact OG1-CG 3.31Å; T38-R277 WeakPolarHBondContact OG1-CG 3.42Å; T38-R277 PolarHBondContact OG1-NE 3.33Å; T38-R277 VanDerWaalsContact OG1-NE 3.11Å; T38-Y281 PolarHBondContact O-OH 3.26Å
39R52.6Low59.6Low89 Ų8979.6 Ų79.634%0.33642%0.418SS..  trans-63.5100.9176.8-68.3173.7171.7163.1-5.5111.5V31 E32 D33 R41 E284V31-R39 PolarHBondContact O-NH1 3.29Å; V31-R39 PolarHBondContact O-NH2 2.91Å; E32-R39 PolarHBondContact O-NH2 3.1Å; D33-R39 IonicContact OD1-CZ 3.37Å; D33-R39 VanDerWaalsContact OD1-CZ 3.31Å; D33-R39 IonicContact OD1-NE 3.98Å; D33-R39 IonicContact OD1-NH1 3.05Å; D33-R39 PolarHBondContact OD1-NH1 3.08Å; D33-R39 IonicContact OD2-NH1 3.1Å; R39-R41 PolarHBondContact O-N 3.38Å; R39-E284 IonicContact CZ-OE1 3.31Å; R39-E284 IonicContact NE-OE1 2.68Å; R39-E284 PolarHBondContact NE-OE1 3.43Å; R39-E284 IonicContact NH2-OE1 3.94Å; R39-E284 PolarHBondContact NH2-OE1 2.73Å
40D56.7Low61.9Low38 Ų3882.9 Ų82.920%0.20343%0.429CS..  trans-69.4109.7169-65.8-68.4000108.7T38 I42 Y43 R277 Y281T38-D40 PolarHBondContact O-N 2.98Å; D40-I42 PolarHBondContact O-N 2.83Å; D40-Y43 PolarHBondContact O-N 3.15Å; D40-R277 IonicContact OD1-NH1 2.93Å; D40-R277 PolarHBondContact OD1-NH1 3.42Å; D40-R277 VanDerWaalsContact OD1-NH1 3.13Å; D40-R277 WeakPolarHBondContact OD2-CD 3.33Å; D40-R277 IonicContact OD2-NH1 2.68Å; D40-Y281 WeakPolarHBondContact CB-OH 3.47Å; D40-Y281 VanDerWaalsContact CG-OH 3.24Å; D40-Y281 PolarHBondContact N-OH 3.04Å; D40-Y281 PolarHBondContact OD2-OH 3.45Å
41R56.9Low64.5Low208 Ų20879.2 Ų79.279%0.78541%0.408SS*.THydrogen-bonded Turntrans-6826.4-177.6-54.2179.1-177174.8-1.6115F20 R39F20-R41 VanDerWaalsContact CE1-O 3.31Å; F20-R41 WeakPolarHBondContact CE1-O 3.46Å; R39-R41 PolarHBondContact O-N 3.38Å
42I67.6Low66.7Low15 Ų1578.6 Ų78.68%0.07740%0.399CS..THydrogen-bonded Turntrans-91.8-29.1176.7-56.2176.8000109.3F20 D40 I56 D57 G60 I61 K245F20-I42 VanDerWaalsContact CE2-O 3.26Å; F20-I42 WeakPolarHBondContact CE2-O 3.4Å; D40-I42 PolarHBondContact O-N 2.83Å; I42-I56 HydrophobicContact CG2-CG2 4.17Å; I42-I56 CarbonylContact O-C 3.59Å; I42-I56 VanDerWaalsContact O-CA 3.29Å; I42-I56 WeakPolarHBondContact O-CA 3.08Å; I42-D57 PolarHBondContact O-N 3.12Å; I42-G60 WeakPolarHBondContact CD1-O 3.29Å; I42-I61 HydrophobicContact CD1-CG1 4.44Å; I42-I61 HydrophobicContact CG2-CD1 4.42Å; I42-I61 HydrophobicContact CG2-CG1 3.8Å; I42-K245 HydrophobicContact CD1-CD 3.76Å; I42-K245 HydrophobicContact CD1-CG 4.43Å
43Y74.2Confident69Low41 Ų4170.8 Ų70.816%0.16136%0.363CS..EExtended strand (participates in β ladder)trans-118.8145-177.8-81.1-108.9000111.2D40 I55 I56 M249 M252D40-Y43 PolarHBondContact O-N 3.15Å; Y43-I55 WeakPolarHBondContact CA-O 3.38Å; Y43-I56 HydrophobicContact CD1-CG1 4.2Å; Y43-I56 HydrophobicContact CD2-CG2 4.49Å; Y43-I56 HydrophobicContact CE1-CD1 3.87Å; Y43-I56 HydrophobicContact CE1-CG1 3.63Å; Y43-I56 HydrophobicContact CE2-CG1 4.22Å; Y43-I56 HydrophobicContact CE2-CG2 3.8Å; Y43-I56 VanDerWaalsContact OH-CD1 3.23Å; Y43-I56 WeakPolarHBondContact OH-CD1 3.18Å; Y43-M249 HydrophobicContact CE2-CB 4.32Å; Y43-M249 HydrophobicContact CE2-CG 3.47Å; Y43-M249 VanDerWaalsContact CE2-CG 3.47Å; Y43-M249 HydrophobicContact CE2-SD 3.85Å; Y43-M249 VanDerWaalsContact OH-CB 3.27Å; Y43-M249 WeakPolarHBondContact OH-CB 3.37Å; Y43-M249 WeakPolarHBondContact OH-CG 3.44Å; Y43-M249 PolarHBondContact OH-SD 3.31Å; Y43-M252 HydrophobicContact CD1-SD 3.59Å; Y43-M252 VanDerWaalsContact CD1-SD 3.59Å; Y43-M252 HydrophobicContact CD2-CE 4.08Å; Y43-M252 HydrophobicContact CD2-SD 3.64Å; Y43-M252 HydrophobicContact CE1-SD 3.85Å; Y43-M252 HydrophobicContact CE2-SD 3.97Å; Y43-M252 HydrophobicContact CG-CE 3.94Å; Y43-M252 HydrophobicContact CG-SD 3.49Å
44A77.6Confident70.9Confident30 Ų3065.9 Ų65.925%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-154.7161.1169.800000110.9F20 A24 I55F20-A44 HydrophobicContact CE1-CB 4.35Å; F20-A44 HydrophobicContact CE2-CB 4.32Å; F20-A44 HydrophobicContact CZ-CB 3.76Å; A24-A44 HydrophobicContact CB-CB 3.37Å; A44-I55 HydrophobicContact CB-CG2 4Å; A44-I55 PolarHBondContact N-O 2.96Å; A44-I55 VanDerWaalsContact N-O 3.12Å; A44-I55 PolarHBondContact O-N 3.33Å
45K79.2Confident72.7Confident115 Ų11564.4 Ų64.450%0.533%0.329SS..EExtended strand (participates in β ladder)trans-83.3135.2165.4-161178.2-166.2-171.80109.2E52K45-E52 VanDerWaalsContact CE-OE1 3.29Å; K45-E52 WeakPolarHBondContact CE-OE1 3.36Å; K45-E52 WeakPolarHBondContact CE-OE2 3.24Å; K45-E52 IonicContact NZ-OE1 3.09Å; K45-E52 PolarHBondContact NZ-OE1 2.87Å; K45-E52 IonicContact NZ-OE2 2.9Å; K45-E52 PolarHBondContact NZ-OE2 2.85Å
46G82.9Confident74.4Confident3 Ų358.8 Ų58.83%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-117.8159.6168.300000110.7E52 F53G46-E52 WeakPolarHBondContact O-CA 3.5Å; G46-F53 PolarHBondContact N-O 3.46Å; G46-F53 PolarHBondContact O-N 3.38Å
47E85.6Confident76Confident57 Ų5756.6 Ų56.627%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-141.9133.7176.8-176.3-171.3108.100108.2R27 H51R27-E47 VanDerWaalsContact CD-OE2 3.27Å; R27-E47 WeakPolarHBondContact CD-OE2 3.4Å; R27-E47 IonicContact CZ-OE1 3.17Å; R27-E47 IonicContact CZ-OE2 2.7Å; R27-E47 IonicContact NE-OE1 3.68Å; R27-E47 PolarHBondContact NE-OE1 3.43Å; R27-E47 IonicContact NE-OE2 2.78Å; R27-E47 PolarHBondContact NE-OE2 3.14Å; R27-E47 IonicContact NH1-OE2 2.83Å; R27-E47 PolarHBondContact NH1-OE2 3.16Å; R27-E47 IonicContact NH2-OE1 3.72Å; R27-E47 PolarHBondContact NH2-OE1 3.17Å; R27-E47 IonicContact NH2-OE2 2.69Å; R27-E47 PolarHBondContact NH2-OE2 2.96Å; E47-H51 WeakPolarHBondContact CA-O 3.38Å
48W89.3Confident77.2Confident62 Ų6255.8 Ų55.824%0.23526%0.264CS..EExtended strand (participates in β ladder)trans-149.5122.8175.2-174.2-103.8000110.4D50 H51 F53 L156 D157W48-D50 PolarHBondContact O-N 3.03Å; W48-H51 PolarHBondContact N-O 3.49Å; W48-H51 WeakPolarHBondContact O-CB 3.44Å; W48-H51 PolarHBondContact O-N 3.05Å; W48-F53 HydrophobicContact CB-CE1 3.81Å; W48-L156 HydrophobicContact CB-CB 4.4Å; W48-L156 HydrophobicContact CB-CD1 4.4Å; W48-L156 HydrophobicContact CD2-CB 3.82Å; W48-L156 HydrophobicContact CD2-CD1 3.78Å; W48-L156 HydrophobicContact CD2-CG 4.47Å; W48-L156 HydrophobicContact CE3-CD1 3.72Å; W48-L156 HydrophobicContact CG-CB 3.68Å; W48-L156 HydrophobicContact CG-CD1 4.08Å; W48-L156 HydrophobicContact CG-CG 4.48Å; W48-L156 HydrophobicContact CZ3-CD1 4.35Å; W48-D157 PolarHBondContact NE1-OD1 3.01Å
49L85.1Confident78.3Confident111 Ų11154.3 Ų54.358%0.58126%0.261SS*.THydrogen-bonded Turntrans46.756.6-179.1-60.3179.1000113.1H51 D157L49-H51 PolarHBondContact O-CD2 2.93Å; L49-H51 PolarHBondContact O-N 3.25Å; L49-D157 VanDerWaalsContact CD1-OD1 3.25Å; L49-D157 WeakPolarHBondContact CD1-OD1 3.45Å
50D79.6Confident79Confident156 Ų15651.4 Ų51.483%0.83426%0.258SS*.THydrogen-bonded Turntrans63.3-2.7-176.7-54-35.9000116W48W48-D50 PolarHBondContact O-N 3.03Å
51H83.5Confident79.4Confident84 Ų8449.9 Ų49.939%0.38925%0.25SC..EExtended strand (participates in β ladder)trans-88.2117.2171.2-62.8-88.9000111.5E47 W48 L49 V160 F163E47-H51 WeakPolarHBondContact CA-O 3.38Å; W48-H51 PolarHBondContact N-O 3.49Å; W48-H51 WeakPolarHBondContact O-CB 3.44Å; W48-H51 PolarHBondContact O-N 3.05Å; L49-H51 PolarHBondContact O-CD2 2.93Å; L49-H51 PolarHBondContact O-N 3.25Å; H51-V160 HydrophobicContact CB-CG1 4.47Å; H51-V160 HydrophobicContact CB-CG2 4.2Å; H51-V160 WeakPolarHBondContact CD2-CG1 3.42Å; H51-V160 WeakPolarHBondContact NE2-CG1 3.45Å; H51-F163 HydrophobicContact CB-CD2 4.41Å; H51-F163 HydrophobicContact CB-CE2 4.02Å
52E85.5Confident79.7Confident79 Ų7945 Ų4537%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-84.2141.1169.4-57.4-164.9137.400111.6N3 K45 G46N3-E52 WeakPolarHBondContact ND2-CB 3.44Å; N3-E52 PolarHBondContact ND2-OE2 2.86Å; K45-E52 VanDerWaalsContact CE-OE1 3.29Å; K45-E52 WeakPolarHBondContact CE-OE1 3.36Å; K45-E52 WeakPolarHBondContact CE-OE2 3.24Å; K45-E52 IonicContact NZ-OE1 3.09Å; K45-E52 PolarHBondContact NZ-OE1 2.87Å; K45-E52 IonicContact NZ-OE2 2.9Å; K45-E52 PolarHBondContact NZ-OE2 2.85Å; G46-E52 WeakPolarHBondContact O-CA 3.5Å
53F86.8Confident79.5Confident1 Ų145.3 Ų45.30%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-146.6159178.656.7-91.8000111.9P4 I6 I23 G46 W48 I55 L156 F163P4-F53 HydrophobicContact CB-CB 4.42Å; P4-F53 CarbonylContact O-C 3.58Å; P4-F53 VanDerWaalsContact O-CA 3.27Å; P4-F53 WeakPolarHBondContact O-CA 3.48Å; P4-F53 WeakPolarHBondContact O-CB 3.42Å; I6-F53 HydrophobicContact CB-CD2 4.46Å; I6-F53 HydrophobicContact CD1-CD2 3.6Å; I6-F53 HydrophobicContact CD1-CE2 3.73Å; I6-F53 HydrophobicContact CD1-CG 4.04Å; I6-F53 HydrophobicContact CD1-CZ 4.27Å; I6-F53 HydrophobicContact CG1-CD2 3.96Å; I6-F53 HydrophobicContact CG1-CE2 4.48Å; I6-F53 HydrophobicContact CG1-CG 4.41Å; I23-F53 HydrophobicContact CG2-CE2 3.65Å; I23-F53 HydrophobicContact CG2-CZ 3.6Å; G46-F53 PolarHBondContact N-O 3.46Å; G46-F53 PolarHBondContact O-N 3.38Å; W48-F53 HydrophobicContact CB-CE1 3.81Å; F53-I55 HydrophobicContact CD2-CB 4.33Å; F53-I55 HydrophobicContact CE2-CB 4.24Å; F53-I55 HydrophobicContact CE2-CD1 4.36Å; F53-L156 HydrophobicContact CZ-CD2 4.12Å; F53-F163 HydrophobicContact CB-CE2 4.01Å; F53-F163 HydrophobicContact CB-CZ 3.7Å; F53-F163 HydrophobicContact CD1-CE2 4.12Å; F53-F163 AromaticContact CD1-CZ 3.81Å; F53-F163 HydrophobicContact CD1-CZ 3.81Å; F53-F163 HydrophobicContact CG-CE2 4.4Å; F53-F163 AromaticContact CG-CZ 3.88Å; F53-F163 HydrophobicContact CG-CZ 3.88Å
54S86.3Confident79.2Confident17 Ų1744.9 Ų44.912%0.11925%0.25CC..EExtended strand (participates in β ladder)trans-98.5126.1172.9-650000109.4P4 T5 I6P4-S54 PolarHBondContact O-N 3.12Å; T5-S54 CarbonylContact C-O 3.5Å; T5-S54 VanDerWaalsContact CA-O 3.31Å; T5-S54 WeakPolarHBondContact CA-O 3.43Å; I6-S54 PolarHBondContact N-O 3.5Å
55I88.3Confident78.8Confident0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-110.9143.1-178.8-165.7163.8000112.5I6 I8 F20 I23 Y43 A44 F53I6-I55 HydrophobicContact CB-CG1 4.21Å; I6-I55 HydrophobicContact CG2-CD1 4.31Å; I6-I55 HydrophobicContact CG2-CG1 4.26Å; I6-I55 CarbonylContact O-C 3.58Å; I6-I55 WeakPolarHBondContact O-CA 3.37Å; I8-I55 HydrophobicContact CD1-CD1 3.73Å; I8-I55 HydrophobicContact CD1-CG1 4.14Å; I8-I55 HydrophobicContact CG1-CD1 4.11Å; I8-I55 HydrophobicContact CG1-CG1 4.27Å; F20-I55 HydrophobicContact CD2-CG1 4.29Å; F20-I55 HydrophobicContact CD2-CG2 4.14Å; F20-I55 HydrophobicContact CE2-CG2 3.92Å; F20-I55 WeakPolarHBondContact CE2-O 3.3Å; I23-I55 HydrophobicContact CB-CD1 3.93Å; I23-I55 HydrophobicContact CD1-CD1 3.71Å; I23-I55 HydrophobicContact CG1-CD1 4.44Å; I23-I55 HydrophobicContact CG2-CD1 3.7Å; Y43-I55 WeakPolarHBondContact CA-O 3.38Å; A44-I55 HydrophobicContact CB-CG2 4Å; A44-I55 PolarHBondContact N-O 2.96Å; A44-I55 VanDerWaalsContact N-O 3.12Å; A44-I55 PolarHBondContact O-N 3.33Å; F53-I55 HydrophobicContact CD2-CB 4.33Å; F53-I55 HydrophobicContact CE2-CB 4.24Å; F53-I55 HydrophobicContact CE2-CD1 4.36Å
56I86.9Confident78.4Confident1 Ų151 Ų511%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-125.7125.6-174.8-47.5171.9000110.6T5 I6 A7 I8 I42 Y43 T58 E82T5-I56 HydrophobicContact CG2-CD1 3.42Å; T5-I56 VanDerWaalsContact CG2-CD1 3.42Å; T5-I56 HydrophobicContact CG2-CG1 4.03Å; I6-I56 PolarHBondContact O-N 2.92Å; A7-I56 HydrophobicContact CB-CB 4.37Å; I8-I56 PolarHBondContact N-O 3.32Å; I42-I56 HydrophobicContact CG2-CG2 4.17Å; I42-I56 CarbonylContact O-C 3.59Å; I42-I56 VanDerWaalsContact O-CA 3.29Å; I42-I56 WeakPolarHBondContact O-CA 3.08Å; Y43-I56 HydrophobicContact CD1-CG1 4.2Å; Y43-I56 HydrophobicContact CD2-CG2 4.49Å; Y43-I56 HydrophobicContact CE1-CD1 3.87Å; Y43-I56 HydrophobicContact CE1-CG1 3.63Å; Y43-I56 HydrophobicContact CE2-CG1 4.22Å; Y43-I56 HydrophobicContact CE2-CG2 3.8Å; Y43-I56 VanDerWaalsContact OH-CD1 3.23Å; Y43-I56 WeakPolarHBondContact OH-CD1 3.18Å; I56-T58 HydrophobicContact CG2-CG2 4.32Å; I56-E82 HydrophobicContact CD1-CB 4.43Å
57D86.6Confident78.3Confident4 Ų454.7 Ų54.72%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-91.698.4163.2-176.61.3000110.1S17 F20 I42 G59 G60S17-D57 WeakPolarHBondContact CA-OD2 3.19Å; S17-D57 WeakPolarHBondContact CB-OD2 3.4Å; S17-D57 PolarHBondContact N-OD2 2.71Å; S17-D57 PolarHBondContact OG-OD2 2.96Å; F20-D57 HydrophobicContact CB-CB 4.11Å; F20-D57 HydrophobicContact CD2-CB 3.68Å; F20-D57 HydrophobicContact CE2-CB 4.22Å; F20-D57 HydrophobicContact CG-CB 3.86Å; I42-D57 PolarHBondContact O-N 3.12Å; D57-G59 PolarHBondContact O-N 2.63Å; D57-G59 VanDerWaalsContact O-N 3.1Å; D57-G59 VanDerWaalsContact OD1-CA 3.28Å; D57-G59 WeakPolarHBondContact OD1-CA 3.48Å; D57-G59 PolarHBondContact OD1-N 3.04Å; D57-G60 PolarHBondContact O-N 2.84Å
58T80Confident77.9Confident0 Ų056.9 Ų56.90%031%0.313CS..G310 helixtrans-65.4-16.6178.373.30000112.3A7 I8 V9 I56 G60 I61 Q75 I78 A79A7-T58 HydrophobicContact CB-CG2 4.12Å; I8-T58 PolarHBondContact O-N 2.91Å; I8-T58 PolarHBondContact O-OG1 3.37Å; I8-T58 VanDerWaalsContact O-OG1 3.1Å; V9-T58 HydrophobicContact CG2-CG2 4.13Å; I56-T58 HydrophobicContact CG2-CG2 4.32Å; T58-G60 VanDerWaalsContact C-N 3.34Å; T58-I61 HydrophobicContact CG2-CD1 4.44Å; T58-I61 WeakPolarHBondContact O-CB 3.31Å; T58-I61 PolarHBondContact O-N 2.93Å; T58-Q75 VanDerWaalsContact O-CG 3.27Å; T58-Q75 WeakPolarHBondContact O-CG 3.42Å; T58-Q75 PolarHBondContact O-NE2 3.29Å; T58-Q75 VanDerWaalsContact O-NE2 3.13Å; T58-Q75 PolarHBondContact O-OE1 3.41Å; T58-I78 HydrophobicContact CG2-CG2 4.41Å; T58-A79 HydrophobicContact CG2-CB 4.21Å
59G73.1Confident77.5Confident30 Ų3057.5 Ų57.531%0.30932%0.319SS..G310 helixtrans-72-23.4172.200000114.3K16 D57 I61K16-G59 VanDerWaalsContact CE-N 3.35Å; D57-G59 PolarHBondContact O-N 2.63Å; D57-G59 VanDerWaalsContact O-N 3.1Å; D57-G59 VanDerWaalsContact OD1-CA 3.28Å; D57-G59 WeakPolarHBondContact OD1-CA 3.48Å; D57-G59 PolarHBondContact OD1-N 3.04Å; G59-I61 PolarHBondContact O-N 3.43Å
60G66.9Low77.3Confident28 Ų2855.7 Ų55.729%0.28931%0.308SS..G310 helixtrans-76.4-8.517000000113.2I42 D57 T58 D62 K245I42-G60 WeakPolarHBondContact CD1-O 3.29Å; D57-G60 PolarHBondContact O-N 2.84Å; T58-G60 VanDerWaalsContact C-N 3.34Å; G60-D62 PolarHBondContact O-N 2.9Å; G60-K245 PolarHBondContact O-NZ 2.75Å
61I65.9Low77.3Confident5 Ų551 Ų513%0.02628%0.281CS..  trans-81.5115175.3-51.7175.2000108.5I42 T58 G59 I63 Q75 I78 K245 M249I42-I61 HydrophobicContact CD1-CG1 4.44Å; I42-I61 HydrophobicContact CG2-CD1 4.42Å; I42-I61 HydrophobicContact CG2-CG1 3.8Å; T58-I61 HydrophobicContact CG2-CD1 4.44Å; T58-I61 WeakPolarHBondContact O-CB 3.31Å; T58-I61 PolarHBondContact O-N 2.93Å; G59-I61 PolarHBondContact O-N 3.43Å; I61-I63 HydrophobicContact CG2-CD1 4.46Å; I61-I63 HydrophobicContact CG2-CG1 4.11Å; I61-Q75 PolarHBondContact O-NE2 2.65Å; I61-I78 HydrophobicContact CD1-CD1 4.04Å; I61-I78 HydrophobicContact CD1-CG2 3.73Å; I61-I78 HydrophobicContact CG2-CD1 4.1Å; I61-K245 HydrophobicContact CB-CD 4.42Å; I61-K245 HydrophobicContact CG2-CB 4.03Å; I61-K245 HydrophobicContact CG2-CD 3.93Å; I61-M249 HydrophobicContact CD1-CE 3.83Å; I61-M249 HydrophobicContact CD1-SD 3.47Å; I61-M249 WeakPolarHBondContact CD1-SD 3.15Å; I61-M249 HydrophobicContact CG1-SD 4.41Å
62D63.7Low77.2Confident107 Ų10747.3 Ų47.357%0.57226%0.264SS*.  trans-85.8133.2172.3-170.6-7.6000107.5G60 G64 K245G60-D62 PolarHBondContact O-N 2.9Å; D62-G64 PolarHBondContact OD1-N 3.12Å; D62-K245 HydrophobicContact CB-CD 4.44Å; D62-K245 VanDerWaalsContact CB-NZ 3.31Å; D62-K245 VanDerWaalsContact N-NZ 3.11Å
63I63.4Low77Confident20 Ų2047.8 Ų47.810%0.10327%0.265CS..  trans-121.33.3-170.9-69.3161.8000109.6I61 E66 Q71 Q74 Q75I61-I63 HydrophobicContact CG2-CD1 4.46Å; I61-I63 HydrophobicContact CG2-CG1 4.11Å; I63-E66 HydrophobicContact CG2-CB 4.45Å; I63-E66 HydrophobicContact CG2-CG 4.41Å; I63-Q71 HydrophobicContact CB-CG 4.41Å; I63-Q71 HydrophobicContact CG2-CG 4.3Å; I63-Q74 HydrophobicContact CD1-CB 3.9Å; I63-Q74 HydrophobicContact CG2-CB 4.24Å; I63-Q75 HydrophobicContact CD1-CG 3.49Å; I63-Q75 VanDerWaalsContact CD1-CG 3.49Å
64G66.9Low76.8Confident33 Ų3350.2 Ų50.234%0.3428%0.276SS..  trans76.4-168.3-177.300000113.2D62 E66 Q71D62-G64 PolarHBondContact OD1-N 3.12Å; G64-E66 PolarHBondContact O-N 2.74Å; G64-Q71 PolarHBondContact O-NE2 3.07Å
65D69.5Low76.7Confident178 Ų17850.3 Ų50.395%0.95228%0.275SS*.SBendtrans-71.821-169.9-55.8-55.3000115.3
66E71.7Confident76.6Confident94 Ų9450.3 Ų50.344%0.43928%0.275SS..  trans-61.6149174-76.1-67.5167.300111.8I63 G64 E70 Q71I63-E66 HydrophobicContact CG2-CB 4.45Å; I63-E66 HydrophobicContact CG2-CG 4.41Å; G64-E66 PolarHBondContact O-N 2.74Å; E66-E70 HydrophobicContact CB-CB 4.49Å; E66-Q71 HydrophobicContact CB-CG 3.95Å; E66-Q71 WeakPolarHBondContact O-CG 3.44Å; E66-Q71 PolarHBondContact O-NE2 2.92Å
67P80.3Confident76.5Confident82 Ų8253.4 Ų53.453%0.53229%0.289SS..  trans-56.5143.2176-24.835.2000112.2M69 E70 Q71P67-M69 PolarHBondContact O-N 2.91Å; P67-E70 WeakPolarHBondContact O-CA 3.14Å; P67-E70 WeakPolarHBondContact O-CB 3.03Å; P67-E70 PolarHBondContact O-N 3.4Å; P67-Q71 PolarHBondContact O-N 3.22Å
68F77.4Confident76.3Confident103 Ų10354 Ų5445%0.45229%0.292SS..Hα-helixtrans-43.6-43.4-177.7177.2-92.3000114.7P12 I72 A99P12-F68 HydrophobicContact CG-CD2 4.5Å; P12-F68 HydrophobicContact CG-CE2 3.7Å; P12-F68 HydrophobicContact CG-CZ 4.29Å; F68-I72 HydrophobicContact CD1-CD1 3.75Å; F68-I72 HydrophobicContact CE1-CD1 3.37Å; F68-I72 HydrophobicContact CE2-CD1 4.26Å; F68-I72 HydrophobicContact CG-CD1 4.33Å; F68-I72 HydrophobicContact CZ-CD1 3.67Å; F68-I72 WeakPolarHBondContact O-CB 3.23Å; F68-I72 VanDerWaalsContact O-CG1 3.29Å; F68-I72 WeakPolarHBondContact O-CG1 3.39Å; F68-I72 PolarHBondContact O-N 3.02Å; F68-A99 HydrophobicContact CE1-CB 4.43Å
69M80.1Confident76.6Confident74 Ų7454 Ų5437%0.36529%0.292SS..Hα-helixtrans-71.4-28.2178.1-67.4-57.2-62.600113.6P67 K73 A102P67-M69 PolarHBondContact O-N 2.91Å; M69-K73 WeakPolarHBondContact O-CD 3.45Å; M69-K73 VanDerWaalsContact O-CG 3.27Å; M69-K73 WeakPolarHBondContact O-CG 3.47Å; M69-K73 PolarHBondContact O-N 3.04Å; M69-A102 HydrophobicContact CE-CB 3.56Å
70E82.1Confident77.3Confident74 Ų7453.7 Ų53.735%0.34628%0.283SS..Hα-helixtrans-79.7-39.1176.2-129.562.2-149.400111.6E66 P67 I72 K73 Q74E66-E70 HydrophobicContact CB-CB 4.49Å; P67-E70 WeakPolarHBondContact O-CA 3.14Å; P67-E70 WeakPolarHBondContact O-CB 3.03Å; P67-E70 PolarHBondContact O-N 3.4Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.15Å; E70-K73 VanDerWaalsContact CD-CD 3.48Å; E70-K73 HydrophobicContact CG-CD 4.45Å; E70-K73 PolarHBondContact O-N 3.07Å; E70-K73 WeakPolarHBondContact OE1-CD 3.46Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 3.07Å; E70-K73 IonicContact OE2-NZ 3.2Å; E70-K73 PolarHBondContact OE2-NZ 3.44Å; E70-Q74 WeakPolarHBondContact O-CB 3.01Å; E70-Q74 WeakPolarHBondContact O-CG 3.45Å; E70-Q74 PolarHBondContact O-N 3.22Å
71Q78.8Confident78Confident57 Ų5754.7 Ų54.727%0.26628%0.282SS..Hα-helixtrans-55.3-48.6167.2-66.5177.6-21.700110.9I63 G64 E66 P67 K73 Q74 Q75I63-Q71 HydrophobicContact CB-CG 4.41Å; I63-Q71 HydrophobicContact CG2-CG 4.3Å; G64-Q71 PolarHBondContact O-NE2 3.07Å; E66-Q71 HydrophobicContact CB-CG 3.95Å; E66-Q71 WeakPolarHBondContact O-CG 3.44Å; E66-Q71 PolarHBondContact O-NE2 2.92Å; P67-Q71 PolarHBondContact O-N 3.22Å; Q71-K73 PolarHBondContact O-N 2.94Å; Q71-Q74 PolarHBondContact O-N 3.1Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 3.43Å
72I80.9Confident78.6Confident7 Ų755.2 Ų55.24%0.03628%0.284CS..Hα-helixtrans-62.7-42.9179-74.8174.2000112.1R11 F68 E70 Q74 Q75 A76 A99 V103R11-I72 HydrophobicContact CB-CD1 4.3Å; F68-I72 HydrophobicContact CD1-CD1 3.75Å; F68-I72 HydrophobicContact CE1-CD1 3.37Å; F68-I72 HydrophobicContact CE2-CD1 4.26Å; F68-I72 HydrophobicContact CG-CD1 4.33Å; F68-I72 HydrophobicContact CZ-CD1 3.67Å; F68-I72 WeakPolarHBondContact O-CB 3.23Å; F68-I72 VanDerWaalsContact O-CG1 3.29Å; F68-I72 WeakPolarHBondContact O-CG1 3.39Å; F68-I72 PolarHBondContact O-N 3.02Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.15Å; I72-Q74 VanDerWaalsContact C-N 3.32Å; I72-Q74 PolarHBondContact O-N 2.56Å; I72-Q75 PolarHBondContact O-N 3.01Å; I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 2.87Å; I72-A99 HydrophobicContact CD1-CB 4.5Å; I72-V103 HydrophobicContact CG2-CG2 3.2Å
73K82.7Confident79.8Confident88 Ų8850.1 Ų50.138%0.38326%0.257SS..Hα-helixtrans-58.7-43.4172.7-76.9161178.1172.40112M69 E70 Q71 A76 Q77 I106M69-K73 WeakPolarHBondContact O-CD 3.45Å; M69-K73 VanDerWaalsContact O-CG 3.27Å; M69-K73 WeakPolarHBondContact O-CG 3.47Å; M69-K73 PolarHBondContact O-N 3.04Å; E70-K73 VanDerWaalsContact CD-CD 3.48Å; E70-K73 HydrophobicContact CG-CD 4.45Å; E70-K73 PolarHBondContact O-N 3.07Å; E70-K73 WeakPolarHBondContact OE1-CD 3.46Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 3.07Å; E70-K73 IonicContact OE2-NZ 3.2Å; E70-K73 PolarHBondContact OE2-NZ 3.44Å; Q71-K73 PolarHBondContact O-N 2.94Å; K73-A76 PolarHBondContact O-N 2.95Å; K73-Q77 WeakPolarHBondContact O-CB 3.38Å; K73-Q77 PolarHBondContact O-N 2.85Å; K73-I106 HydrophobicContact CB-CD1 4.27Å; K73-I106 HydrophobicContact CG-CD1 3.58Å
74Q81.7Confident81.1Confident53 Ų5351 Ų5125%0.24826%0.262CS..Hα-helixtrans-69.2-40.2-179.2-73.3-177.865.900111.9I63 E70 Q71 I72 A76 Q77 I78I63-Q74 HydrophobicContact CD1-CB 3.9Å; I63-Q74 HydrophobicContact CG2-CB 4.24Å; E70-Q74 WeakPolarHBondContact O-CB 3.01Å; E70-Q74 WeakPolarHBondContact O-CG 3.45Å; E70-Q74 PolarHBondContact O-N 3.22Å; Q71-Q74 PolarHBondContact O-N 3.1Å; I72-Q74 VanDerWaalsContact C-N 3.32Å; I72-Q74 PolarHBondContact O-N 2.56Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.2Å; Q74-Q77 PolarHBondContact O-N 3.45Å; Q74-I78 WeakPolarHBondContact O-CB 3.27Å; Q74-I78 WeakPolarHBondContact O-CD1 3.41Å; Q74-I78 VanDerWaalsContact O-CG1 3.29Å; Q74-I78 WeakPolarHBondContact O-CG1 3.34Å; Q74-I78 PolarHBondContact O-N 3.04Å
75Q83.2Confident82.4Confident19 Ų1949.5 Ų49.59%0.08925%0.246CC..Hα-helixtrans-59.5-43.1170.9-71-173.43.500112T58 I61 I63 Q71 I72 I78 A79T58-Q75 VanDerWaalsContact O-CG 3.27Å; T58-Q75 WeakPolarHBondContact O-CG 3.42Å; T58-Q75 PolarHBondContact O-NE2 3.29Å; T58-Q75 VanDerWaalsContact O-NE2 3.13Å; T58-Q75 PolarHBondContact O-OE1 3.41Å; I61-Q75 PolarHBondContact O-NE2 2.65Å; I63-Q75 HydrophobicContact CD1-CG 3.49Å; I63-Q75 VanDerWaalsContact CD1-CG 3.49Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 3.43Å; I72-Q75 PolarHBondContact O-N 3.01Å; Q75-I78 PolarHBondContact O-N 2.74Å; Q75-A79 PolarHBondContact O-N 3.37Å
76A86.6Confident83.6Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-65.8-41.517500000112.2V9 I72 K73 Q74 I78 A79 I80 I106 L107V9-A76 HydrophobicContact CG1-CB 4.19Å; I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 2.87Å; K73-A76 PolarHBondContact O-N 2.95Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.2Å; A76-I78 PolarHBondContact O-N 3.15Å; A76-A79 PolarHBondContact O-N 3.48Å; A76-I80 VanDerWaalsContact O-CG1 3.22Å; A76-I80 WeakPolarHBondContact O-CG1 3.33Å; A76-I80 PolarHBondContact O-N 2.95Å; A76-I106 HydrophobicContact CB-CB 4.48Å; A76-I106 HydrophobicContact CB-CG2 3.89Å; A76-L107 HydrophobicContact CB-CD2 4.01Å
77Q85.9Confident84.7Confident65 Ų6536.5 Ų36.530%0.30418%0.18SC..Hα-helixtrans-64.6-38.9177.4-173.558.849.400112K73 Q74 A79 I80 D81K73-Q77 WeakPolarHBondContact O-CB 3.38Å; K73-Q77 PolarHBondContact O-N 2.85Å; Q74-Q77 PolarHBondContact O-N 3.45Å; Q77-A79 PolarHBondContact O-N 3.49Å; Q77-I80 WeakPolarHBondContact O-CB 3.22Å; Q77-I80 PolarHBondContact O-N 3.03Å; Q77-I80 VanDerWaalsContact O-N 3.14Å; Q77-D81 PolarHBondContact NE2-OD2 2.98Å; Q77-D81 PolarHBondContact O-N 3.46Å
78I81.8Confident85.4Confident17 Ų1732.7 Ų32.79%0.08716%0.155CC..Hα-helixtrans-58.7-46.6173.3-74.9163.1000110.9T58 I61 Q74 Q75 A76 I80 E82 Y246 M249T58-I78 HydrophobicContact CG2-CG2 4.41Å; I61-I78 HydrophobicContact CD1-CD1 4.04Å; I61-I78 HydrophobicContact CD1-CG2 3.73Å; I61-I78 HydrophobicContact CG2-CD1 4.1Å; Q74-I78 WeakPolarHBondContact O-CB 3.27Å; Q74-I78 WeakPolarHBondContact O-CD1 3.41Å; Q74-I78 VanDerWaalsContact O-CG1 3.29Å; Q74-I78 WeakPolarHBondContact O-CG1 3.34Å; Q74-I78 PolarHBondContact O-N 3.04Å; Q75-I78 PolarHBondContact O-N 2.74Å; A76-I78 PolarHBondContact O-N 3.15Å; I78-I80 VanDerWaalsContact C-N 3.29Å; I78-I80 PolarHBondContact O-N 2.91Å; I78-E82 VanDerWaalsContact O-CB 3.31Å; I78-E82 WeakPolarHBondContact O-CB 3.43Å; I78-E82 WeakPolarHBondContact O-CG 3.14Å; I78-E82 PolarHBondContact O-N 2.92Å; I78-Y246 HydrophobicContact CG1-CD2 4.41Å; I78-M249 HydrophobicContact CD1-CE 4.12Å; I78-M249 HydrophobicContact CG1-CE 4.18Å; I78-M249 HydrophobicContact CG2-CE 3.55Å; I78-M249 HydrophobicContact CG2-SD 3.9Å
79A86.5Confident86.3Confident0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-63.8-35175.200000112.9A7 V9 T58 Q75 A76 Q77 A83 I86A7-A79 HydrophobicContact CB-CB 3.57Å; V9-A79 HydrophobicContact CG2-CB 3.26Å; T58-A79 HydrophobicContact CG2-CB 4.21Å; Q75-A79 PolarHBondContact O-N 3.37Å; A76-A79 PolarHBondContact O-N 3.48Å; Q77-A79 PolarHBondContact O-N 3.49Å; A79-A83 PolarHBondContact O-N 2.61Å; A79-A83 VanDerWaalsContact O-N 3.1Å; A79-I86 HydrophobicContact CB-CD1 4.07Å; A79-I86 HydrophobicContact CB-CG1 4.3Å; A79-I86 HydrophobicContact CB-CG2 4.18Å
80I87.6Confident87Confident24 Ų2424.3 Ų24.312%0.12312%0.116CC..Hα-helixtrans-69.3-43.9178.3-72.1169.4000112.3A76 Q77 I78 I86 I106 L107 K112A76-I80 VanDerWaalsContact O-CG1 3.22Å; A76-I80 WeakPolarHBondContact O-CG1 3.33Å; A76-I80 PolarHBondContact O-N 2.95Å; Q77-I80 WeakPolarHBondContact O-CB 3.22Å; Q77-I80 PolarHBondContact O-N 3.03Å; Q77-I80 VanDerWaalsContact O-N 3.14Å; I78-I80 VanDerWaalsContact C-N 3.29Å; I78-I80 PolarHBondContact O-N 2.91Å; I80-I86 HydrophobicContact CG1-CD1 4.09Å; I80-I106 HydrophobicContact CD1-CG2 3.8Å; I80-L107 HydrophobicContact CD1-CD2 4.03Å; I80-L107 HydrophobicContact CG1-CD2 3.86Å; I80-K112 WeakPolarHBondContact O-CD 3.02Å; I80-K112 WeakPolarHBondContact O-CE 3.21Å; I80-K112 PolarHBondContact O-NZ 2.81Å
81D81.8Confident87.5Confident49 Ų4920.8 Ų20.826%0.26210%0.1SC..Hα-helixtrans-70.7-47.1175-80.3-62.4000109.9Q77 K112 R236Q77-D81 PolarHBondContact NE2-OD2 2.98Å; Q77-D81 PolarHBondContact O-N 3.46Å; D81-K112 PolarHBondContact O-NZ 2.68Å; D81-K112 VanDerWaalsContact O-NZ 3.14Å; D81-R236 IonicContact OD1-CZ 2.97Å; D81-R236 IonicContact OD1-NH1 3.25Å; D81-R236 PolarHBondContact OD1-NH1 2.63Å; D81-R236 IonicContact OD1-NH2 3.42Å
82E79.2Confident88.2Confident15 Ų1518.7 Ų18.77%0.079%0.093CC..SBendtrans-80.8-81.6-172.7-54.8-50.4143.600113.9I56 I78 K112 Y246 R253I56-E82 HydrophobicContact CD1-CB 4.43Å; I78-E82 VanDerWaalsContact O-CB 3.31Å; I78-E82 WeakPolarHBondContact O-CB 3.43Å; I78-E82 WeakPolarHBondContact O-CG 3.14Å; I78-E82 PolarHBondContact O-N 2.92Å; E82-K112 PolarHBondContact O-NZ 3.2Å; E82-K112 VanDerWaalsContact O-NZ 3.15Å; E82-Y246 HydrophobicContact CG-CE2 4.46Å; E82-Y246 WeakPolarHBondContact OE1-CE2 3.32Å; E82-Y246 VanDerWaalsContact OE1-CZ 3.3Å; E82-Y246 PolarHBondContact OE1-OH 3.37Å; E82-R253 VanDerWaalsContact C-NH1 3.31Å; E82-R253 VanDerWaalsContact O-CZ 3.24Å; E82-R253 PolarHBondContact O-NH1 3.02Å; E82-R253 PolarHBondContact O-NH2 3.23Å; E82-R253 WeakPolarHBondContact OE2-CD 3.47Å; E82-R253 IonicContact OE2-CZ 3.62Å; E82-R253 IonicContact OE2-NE 2.7Å; E82-R253 IonicContact OE2-NH1 2.91Å; E82-R253 PolarHBondContact OE2-NH1 3.49Å
83A88.2Confident88.6Confident0 Ų023.9 Ų23.90%012%0.116CC..  trans-63146.8-162.400000115.5T5 A7 A79 K112T5-A83 HydrophobicContact CG2-CB 3.87Å; T5-A83 CarbonylContact O-C 3.59Å; T5-A83 WeakPolarHBondContact O-CB 3.28Å; A7-A83 HydrophobicContact CB-CB 3.37Å; A7-A83 VanDerWaalsContact N-CB 3.33Å; A79-A83 PolarHBondContact O-N 2.61Å; A79-A83 VanDerWaalsContact O-N 3.1Å; A83-K112 WeakPolarHBondContact O-CD 3.45Å; A83-K112 VanDerWaalsContact O-CE 3.23Å; A83-K112 WeakPolarHBondContact O-CE 3.38Å; A83-K112 PolarHBondContact O-NZ 2.89Å
84D90.6Very high88.9Confident40 Ų4023.8 Ų23.821%0.21412%0.117CC..SBendtrans-73.9-38.4175.1-59-77.5000111.6T5 P113 R253T5-D84 WeakPolarHBondContact CB-OD2 3.34Å; T5-D84 PolarHBondContact N-OD2 2.66Å; T5-D84 PolarHBondContact O-N 2.91Å; D84-P113 WeakPolarHBondContact O-CD 3.19Å; D84-R253 IonicContact OD2-NH2 2.67Å
85V93.7Very high89.4Confident0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-124.6136.4177.5-177.10000110.1T5 I6 A7 P113 I115 A159 H162 F163T5-V85 PolarHBondContact O-N 2.6Å; T5-V85 VanDerWaalsContact O-N 3.15Å; I6-V85 WeakPolarHBondContact CA-O 3.36Å; A7-V85 PolarHBondContact N-O 3.39Å; V85-P113 HydrophobicContact CG1-CB 4.36Å; V85-P113 HydrophobicContact CG2-CB 4.29Å; V85-I115 HydrophobicContact CG1-CD1 3.94Å; V85-A159 HydrophobicContact CG1-CB 4.15Å; V85-H162 HydrophobicContact CG2-CB 3.8Å; V85-F163 HydrophobicContact CG2-CD1 3.97Å; V85-F163 HydrophobicContact CG2-CE1 4.34Å
86I95Very high89.8Confident0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-114.2116.5-176.3-53.1179.6000110.5V9 A79 I80 L88 L107 K112 P113 I114 I115V9-I86 HydrophobicContact CB-CG2 4.17Å; V9-I86 HydrophobicContact CG2-CG2 3.61Å; A79-I86 HydrophobicContact CB-CD1 4.07Å; A79-I86 HydrophobicContact CB-CG1 4.3Å; A79-I86 HydrophobicContact CB-CG2 4.18Å; I80-I86 HydrophobicContact CG1-CD1 4.09Å; I86-L88 PolarHBondContact O-N 3.48Å; I86-L107 HydrophobicContact CD1-CD2 3.94Å; I86-L107 HydrophobicContact CG2-CD1 3.85Å; I86-L107 HydrophobicContact CG2-CD2 4.03Å; I86-K112 HydrophobicContact CD1-CB 4.28Å; I86-K112 HydrophobicContact CD1-CD 4.44Å; I86-P113 PolarHBondContact N-O 2.9Å; I86-I114 HydrophobicContact CB-CG1 4.3Å; I86-I114 CarbonylContact O-C 3.53Å; I86-I114 VanDerWaalsContact O-CA 3.28Å; I86-I114 WeakPolarHBondContact O-CA 3.43Å; I86-I115 PolarHBondContact O-N 3.49Å
87L95.3Very high90.1Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-87.1102.2172.8-58-178.9000108.8I6 A7 I8 V9 I23 V89 I115 M117I6-L87 HydrophobicContact CG2-CD1 3.48Å; I6-L87 VanDerWaalsContact CG2-CD1 3.48Å; I6-L87 HydrophobicContact CG2-CD2 4.44Å; I6-L87 HydrophobicContact CG2-CG 3.56Å; A7-L87 PolarHBondContact O-N 3.23Å; I8-L87 HydrophobicContact CG1-CB 4.42Å; I8-L87 HydrophobicContact CG1-CD1 4.17Å; V9-L87 PolarHBondContact N-O 2.79Å; I23-L87 HydrophobicContact CD1-CD1 4.46Å; L87-V89 PolarHBondContact O-N 2.88Å; L87-I115 CarbonylContact C-O 3.59Å; L87-I115 HydrophobicContact CD2-CB 3.88Å; L87-I115 HydrophobicContact CD2-CD1 4.2Å; L87-I115 HydrophobicContact CD2-CG2 4.22Å; L87-M117 HydrophobicContact CB-SD 3.81Å; L87-M117 HydrophobicContact CD1-SD 3.75Å; L87-M117 HydrophobicContact CD2-SD 3.97Å; L87-M117 HydrophobicContact CG-SD 4.03Å
88L95.2Very high90.3Very high1 Ų128.1 Ų28.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-82.4111.1171.6178.656.4000109.5I86 V103 A104 L107 I114 I115 L116 M117 L138I86-L88 PolarHBondContact O-N 3.48Å; L88-V103 HydrophobicContact CD1-CB 4.24Å; L88-V103 HydrophobicContact CD1-CG1 3.41Å; L88-V103 VanDerWaalsContact CD1-CG1 3.41Å; L88-V103 HydrophobicContact CD2-CG1 4.34Å; L88-A104 HydrophobicContact CD2-CB 4.19Å; L88-L107 HydrophobicContact CB-CD1 4.05Å; L88-L107 HydrophobicContact CD1-CD1 4.15Å; L88-L107 HydrophobicContact CD2-CD1 4.28Å; L88-L107 HydrophobicContact CG-CD1 4.38Å; L88-I114 HydrophobicContact CB-CG2 4.14Å; L88-I115 PolarHBondContact N-O 2.77Å; L88-L116 HydrophobicContact CB-CD1 4.44Å; L88-L116 HydrophobicContact CD2-CD1 4.2Å; L88-L116 HydrophobicContact CG-CD1 4.15Å; L88-L116 CarbonylContact O-C 3.58Å; L88-L116 WeakPolarHBondContact O-CA 3.41Å; L88-M117 PolarHBondContact O-N 2.98Å; L88-L138 HydrophobicContact CD2-CD1 3.42Å; L88-L138 VanDerWaalsContact CD2-CD1 3.42Å
89V95.2Very high90.6Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-95.5117.5178.9-172.80000110.5I8 V9 V14 K16 L19 L87 M117 N119I8-V89 HydrophobicContact CG2-CG2 3.51Å; V9-V89 PolarHBondContact O-N 2.93Å; V14-V89 HydrophobicContact CB-CG1 4Å; V14-V89 HydrophobicContact CG2-CB 3.88Å; V14-V89 HydrophobicContact CG2-CG1 3.63Å; V14-V89 WeakPolarHBondContact CG2-O 3.39Å; K16-V89 HydrophobicContact CG-CB 4.43Å; L19-V89 HydrophobicContact CD1-CB 4.23Å; L19-V89 HydrophobicContact CD1-CG1 3.53Å; L19-V89 HydrophobicContact CD1-CG2 3.57Å; L87-V89 PolarHBondContact O-N 2.88Å; V89-M117 WeakPolarHBondContact CA-O 3.47Å; V89-M117 HydrophobicContact CG2-CB 4.4Å; V89-N119 HydrophobicContact CG1-CB 3.75Å
90A94.6Very high90.8Very high1 Ų127.9 Ų27.91%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-107.2-176.7165.900000110.2L116 M117 N119 F133A90-L116 HydrophobicContact CB-CD1 4.4Å; A90-M117 PolarHBondContact N-O 3.14Å; A90-N119 WeakPolarHBondContact O-CB 3.45Å; A90-N119 PolarHBondContact O-N 3.06Å; A90-F133 HydrophobicContact CB-CD1 3.86Å; A90-F133 HydrophobicContact CB-CE1 3.6Å
91S94Very high91Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-130.7117.7178.7-167.20000114K93 E94 G95 N119 K120S91-K93 PolarHBondContact O-N 3.5Å; S91-E94 WeakPolarHBondContact CB-OE2 3.29Å; S91-E94 PolarHBondContact O-N 2.8Å; S91-E94 PolarHBondContact OG-OE1 3.04Å; S91-G95 PolarHBondContact O-N 3.49Å; S91-N119 WeakPolarHBondContact CA-O 3.41Å; S91-N119 PolarHBondContact OG-O 3.03Å; S91-K120 WeakPolarHBondContact OG-CD 3.21Å; S91-K120 WeakPolarHBondContact OG-CE 3.1Å; S91-K120 PolarHBondContact OG-NZ 2.88Å
92G92.1Very high91.4Very high13 Ų1329 Ų2913%0.13416%0.159CC..THydrogen-bonded Turntrans-65.5-7.5178.200000115N119 M126G92-N119 PolarHBondContact N-O 3.43Å; G92-M126 VanDerWaalsContact O-CE 3.31Å; G92-M126 WeakPolarHBondContact O-CE 3.34Å
93K89.6Confident91.9Very high117 Ų11728.4 Ų28.451%0.50916%0.155SC..THydrogen-bonded Turntrans-89-11.7173-69.2-174.1179.5168.30114S91 K120 D122 M126S91-K93 PolarHBondContact O-N 3.5Å; K93-K120 HydrophobicContact CD-CB 3.83Å; K93-K120 HydrophobicContact CD-CD 4.15Å; K93-K120 VanDerWaalsContact CE-O 3.25Å; K93-K120 WeakPolarHBondContact CE-O 3.44Å; K93-K120 HydrophobicContact CG-CB 3.95Å; K93-D122 WeakPolarHBondContact CE-OD2 3.47Å; K93-D122 IonicContact NZ-OD2 3.67Å; K93-D122 PolarHBondContact NZ-OD2 2.82Å; K93-M126 HydrophobicContact CG-CE 3.6Å
94E89.9Confident92.1Very high85 Ų8528.5 Ų28.540%0.39716%0.157SC..THydrogen-bonded Turntrans-125.7-6.3-173.4-66.6122.4-12700113.5R11 S91 K120R11-E94 IonicContact CZ-OE2 3.85Å; R11-E94 IonicContact NH1-OE2 2.75Å; R11-E94 PolarHBondContact NH1-OE2 3.4Å; R11-E94 IonicContact NH2-OE2 3.72Å; R11-E94 PolarHBondContact NH2-OE2 3.3Å; S91-E94 WeakPolarHBondContact CB-OE2 3.29Å; S91-E94 PolarHBondContact O-N 2.8Å; S91-E94 PolarHBondContact OG-OE1 3.04Å; E94-K120 IonicContact OE1-NZ 3.56Å; E94-K120 PolarHBondContact OE1-NZ 2.88Å; E94-K120 IonicContact OE2-NZ 3.31Å; E94-K120 PolarHBondContact OE2-NZ 2.84Å
95G90.8Very high92Very high16 Ų1632 Ų3217%0.16517%0.17CC..BIsolated β-bridgetrans73-167.8-174.400000113.5S91 E132S91-G95 PolarHBondContact O-N 3.49Å; G95-E132 WeakPolarHBondContact CA-OE1 3.3Å
96V92.6Very high91.8Very high29 Ų2933.8 Ų33.818%0.17618%0.179CC..  trans-80.1137.1170.3178.30000109.3E101 E132 F133 L136V96-E101 HydrophobicContact CG1-CG 4.2Å; V96-E132 HydrophobicContact CB-CG 4.41Å; V96-E132 HydrophobicContact CG2-CG 3.99Å; V96-E132 PolarHBondContact N-OE1 2.78Å; V96-F133 HydrophobicContact CG2-CB 4.44Å; V96-F133 HydrophobicContact CG2-CD1 3.55Å; V96-F133 HydrophobicContact CG2-CE1 3.8Å; V96-F133 HydrophobicContact CG2-CG 3.98Å; V96-F133 HydrophobicContact CG2-CZ 4.44Å; V96-L136 HydrophobicContact CG1-CD2 3.79Å; V96-L136 HydrophobicContact CG1-CG 4.27Å; V96-L136 HydrophobicContact CG2-CG 4.49Å
97T91.8Very high91.6Very high45 Ų4533.8 Ų33.828%0.27618%0.179SC..  trans-123.9160.8177.773.60000111.9R11 A99 D100 E101R11-T97 WeakPolarHBondContact CD-OG1 3.29Å; R11-T97 PolarHBondContact NE-OG1 3.06Å; T97-A99 PolarHBondContact O-N 2.59Å; T97-A99 PolarHBondContact OG1-N 2.92Å; T97-D100 WeakPolarHBondContact CB-OD2 3.19Å; T97-D100 PolarHBondContact N-OD2 2.92Å; T97-D100 VanDerWaalsContact N-OD2 3.15Å; T97-D100 WeakPolarHBondContact O-CA 3.39Å; T97-D100 WeakPolarHBondContact O-CB 3.17Å; T97-D100 PolarHBondContact O-N 2.66Å; T97-D100 PolarHBondContact OG1-N 3.06Å; T97-D100 PolarHBondContact OG1-OD2 2.78Å; T97-E101 PolarHBondContact O-N 3.02Å
98D89.9Confident91.3Very high138 Ų13841.5 Ų41.574%0.73821%0.209SC*.Hα-helixtrans-49.8-33.3173.6-64.4-14.2000113.1A102D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.28Å; D98-A102 PolarHBondContact O-N 3.26Å
99A88.7Confident90.9Very high11 Ų1151 Ų519%0.09125%0.245CC..Hα-helixtrans-72.8-38177.400000112.2R11 F68 I72 T97 A102 V103R11-A99 HydrophobicContact CB-CB 4.16Å; F68-A99 HydrophobicContact CE1-CB 4.43Å; I72-A99 HydrophobicContact CD1-CB 4.5Å; T97-A99 PolarHBondContact O-N 2.59Å; T97-A99 PolarHBondContact OG1-N 2.92Å; A99-A102 PolarHBondContact O-N 3.25Å; A99-V103 WeakPolarHBondContact O-CG2 3.3Å; A99-V103 PolarHBondContact O-N 3.38Å
100D92.1Very high90.4Very high1 Ų152.5 Ų52.51%0.00526%0.256CS..Hα-helixtrans-70.1-41.5175.6-54.7-55.9000110.6R11 T97 A102 V103 A104R11-D100 VanDerWaalsContact CD-OD1 3.3Å; R11-D100 WeakPolarHBondContact CD-OD1 3.35Å; R11-D100 WeakPolarHBondContact CD-OD2 3.4Å; R11-D100 WeakPolarHBondContact CG-OD1 3.41Å; R11-D100 IonicContact CZ-OD2 3.37Å; R11-D100 IonicContact NE-OD1 2.59Å; R11-D100 PolarHBondContact NE-OD1 3.18Å; R11-D100 VanDerWaalsContact NE-OD1 3.17Å; R11-D100 IonicContact NE-OD2 2.78Å; R11-D100 PolarHBondContact NE-OD2 3.07Å; R11-D100 IonicContact NH2-OD2 3.6Å; T97-D100 WeakPolarHBondContact CB-OD2 3.19Å; T97-D100 PolarHBondContact N-OD2 2.92Å; T97-D100 VanDerWaalsContact N-OD2 3.15Å; T97-D100 WeakPolarHBondContact O-CA 3.39Å; T97-D100 WeakPolarHBondContact O-CB 3.17Å; T97-D100 PolarHBondContact O-N 2.66Å; T97-D100 PolarHBondContact OG1-N 3.06Å; T97-D100 PolarHBondContact OG1-OD2 2.78Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-A102 PolarHBondContact O-N 2.98Å; D100-V103 PolarHBondContact O-N 2.97Å; D100-A104 WeakPolarHBondContact O-CB 3.39Å; D100-A104 PolarHBondContact O-N 3.36Å
101E91.8Very high89.8Confident75 Ų7561.8 Ų61.835%0.3530%0.296SS..Hα-helixtrans-57.6-44.4169.7-85-158.8-162.700112.1V96 T97 A104 K105 L136V96-E101 HydrophobicContact CG1-CG 4.2Å; T97-E101 PolarHBondContact O-N 3.02Å; E101-A104 PolarHBondContact O-N 3.36Å; E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 VanDerWaalsContact O-CD 3.31Å; E101-K105 WeakPolarHBondContact O-CD 3.2Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 WeakPolarHBondContact OE2-CE 3.46Å; E101-K105 IonicContact OE2-NZ 2.81Å; E101-K105 PolarHBondContact OE2-NZ 2.85Å; E101-L136 HydrophobicContact CB-CD2 4.45Å; E101-L136 HydrophobicContact CG-CD2 3.99Å
102A88.7Confident89.5Confident23 Ų2364.4 Ų64.419%0.1931%0.307CS..Hα-helixtrans-64-43.6179.800000111.7M69 D98 A99 D100 K105 I106M69-A102 HydrophobicContact CE-CB 3.56Å; D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.28Å; D98-A102 PolarHBondContact O-N 3.26Å; A99-A102 PolarHBondContact O-N 3.25Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-A102 PolarHBondContact O-N 2.98Å; A102-K105 PolarHBondContact O-N 3.01Å; A102-I106 VanDerWaalsContact O-CD1 3.29Å; A102-I106 WeakPolarHBondContact O-CD1 3.49Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.22Å
103V90.5Very high89.6Confident1 Ų165.7 Ų65.71%0.00631%0.313CS..Hα-helixtrans-62.5-48.9174.7174.80000110.9V9 I72 L88 A99 D100 K105 I106 L107V9-V103 HydrophobicContact CG1-CG1 3.84Å; I72-V103 HydrophobicContact CG2-CG2 3.2Å; L88-V103 HydrophobicContact CD1-CB 4.24Å; L88-V103 HydrophobicContact CD1-CG1 3.41Å; L88-V103 VanDerWaalsContact CD1-CG1 3.41Å; L88-V103 HydrophobicContact CD2-CG1 4.34Å; A99-V103 WeakPolarHBondContact O-CG2 3.3Å; A99-V103 PolarHBondContact O-N 3.38Å; D100-V103 PolarHBondContact O-N 2.97Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.83Å; V103-I106 WeakPolarHBondContact O-CB 3.3Å; V103-I106 PolarHBondContact O-N 2.87Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 3.92Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.85Å
104A91.8Very high89.8Confident3 Ų361.5 Ų61.53%0.02530%0.296CS..Hα-helixtrans-55.6-44.4178.200000111.8L88 D100 E101 I106 L107 Y108 L136 L138L88-A104 HydrophobicContact CD2-CB 4.19Å; D100-A104 WeakPolarHBondContact O-CB 3.39Å; D100-A104 PolarHBondContact O-N 3.36Å; E101-A104 PolarHBondContact O-N 3.36Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 2.92Å; A104-L107 PolarHBondContact O-N 2.9Å; A104-Y108 WeakPolarHBondContact O-CB 3.35Å; A104-Y108 PolarHBondContact O-N 2.96Å; A104-L136 HydrophobicContact CB-CB 4.2Å; A104-L136 HydrophobicContact CB-CD2 3.99Å; A104-L138 HydrophobicContact CB-CD1 3.86Å; A104-L138 HydrophobicContact CB-CG 4.41Å
105K89.5Confident90.1Very high114 Ų11457.8 Ų57.850%0.49628%0.279SS..Hα-helixtrans-66.2-21.3177.3-69.8163.8-164.6173.80114.3E101 A102 V103 R109E101-K105 WeakPolarHBondContact O-CB 3.38Å; E101-K105 VanDerWaalsContact O-CD 3.31Å; E101-K105 WeakPolarHBondContact O-CD 3.2Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 WeakPolarHBondContact OE2-CE 3.46Å; E101-K105 IonicContact OE2-NZ 2.81Å; E101-K105 PolarHBondContact OE2-NZ 2.85Å; A102-K105 PolarHBondContact O-N 3.01Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.83Å; K105-R109 WeakPolarHBondContact O-CD 3.46Å; K105-R109 WeakPolarHBondContact O-CG 3.26Å; K105-R109 PolarHBondContact O-NE 2.93Å
106I89.3Confident90.3Very high36 Ų3657 Ų5719%0.18527%0.271CS..Hα-helixtrans-84.4-54.4173.4-65.3158.1000109.4K73 A76 I80 A102 V103 A104 Y108 R109K73-I106 HydrophobicContact CB-CD1 4.27Å; K73-I106 HydrophobicContact CG-CD1 3.58Å; A76-I106 HydrophobicContact CB-CB 4.48Å; A76-I106 HydrophobicContact CB-CG2 3.89Å; I80-I106 HydrophobicContact CD1-CG2 3.8Å; A102-I106 VanDerWaalsContact O-CD1 3.29Å; A102-I106 WeakPolarHBondContact O-CD1 3.49Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.22Å; V103-I106 WeakPolarHBondContact O-CB 3.3Å; V103-I106 PolarHBondContact O-N 2.87Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 2.92Å; I106-Y108 PolarHBondContact O-N 3.39Å; I106-R109 WeakPolarHBondContact O-CB 3.4Å; I106-R109 PolarHBondContact O-N 3.32Å; I106-R109 VanDerWaalsContact O-N 3.14Å
107L91.2Very high90.4Very high0 Ų055.8 Ų55.80%026%0.263CS..Hα-helixtrans-56.8-46.7-179.4-65.2-176.6000111.8V9 A76 I80 I86 L88 V103 A104 R109 S110 I114V9-L107 HydrophobicContact CB-CD1 4.46Å; V9-L107 HydrophobicContact CG1-CD1 4.35Å; A76-L107 HydrophobicContact CB-CD2 4.01Å; I80-L107 HydrophobicContact CD1-CD2 4.03Å; I80-L107 HydrophobicContact CG1-CD2 3.86Å; I86-L107 HydrophobicContact CD1-CD2 3.94Å; I86-L107 HydrophobicContact CG2-CD1 3.85Å; I86-L107 HydrophobicContact CG2-CD2 4.03Å; L88-L107 HydrophobicContact CB-CD1 4.05Å; L88-L107 HydrophobicContact CD1-CD1 4.15Å; L88-L107 HydrophobicContact CD2-CD1 4.28Å; L88-L107 HydrophobicContact CG-CD1 4.38Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 3.92Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.85Å; A104-L107 PolarHBondContact O-N 2.9Å; L107-R109 PolarHBondContact O-N 3.36Å; L107-S110 VanDerWaalsContact O-CB 3.29Å; L107-S110 WeakPolarHBondContact O-CB 3.42Å; L107-S110 PolarHBondContact O-N 3.03Å; L107-S110 PolarHBondContact O-OG 3.42Å; L107-I114 VanDerWaalsContact C-CD1 3.49Å; L107-I114 HydrophobicContact CB-CD1 3.69Å; L107-I114 HydrophobicContact CB-CG1 4.16Å; L107-I114 HydrophobicContact CD1-CG2 4.38Å; L107-I114 WeakPolarHBondContact O-CD1 3.38Å
108Y88.1Confident90.6Very high162 Ų16253.7 Ų53.764%0.63525%0.25SS*.G310 helixtrans-54.8-28.8179.7-172.7-93.4000113.8A104 I106 S110 L138A104-Y108 WeakPolarHBondContact O-CB 3.35Å; A104-Y108 PolarHBondContact O-N 2.96Å; I106-Y108 PolarHBondContact O-N 3.39Å; Y108-S110 VanDerWaalsContact C-N 3.32Å; Y108-S110 PolarHBondContact O-N 2.93Å; Y108-L138 HydrophobicContact CD2-CD2 4.16Å
109R86.2Confident90.9Very high201 Ų20147.3 Ų47.376%0.75822%0.216SC*.G310 helixtrans-74.4-20.1178.6-65.9171.9-179.6-175.5-0.4113.6K105 I106 L107 K111K105-R109 WeakPolarHBondContact O-CD 3.46Å; K105-R109 WeakPolarHBondContact O-CG 3.26Å; K105-R109 PolarHBondContact O-NE 2.93Å; I106-R109 WeakPolarHBondContact O-CB 3.4Å; I106-R109 PolarHBondContact O-N 3.32Å; I106-R109 VanDerWaalsContact O-N 3.14Å; L107-R109 PolarHBondContact O-N 3.36Å; R109-K111 VanDerWaalsContact C-N 3.32Å
110S85.1Confident91.1Very high32 Ų3248.7 Ų48.722%0.22422%0.22CC..G310 helixtrans-70.5-27.6179.170.20000113.8L107 Y108 K112L107-S110 VanDerWaalsContact O-CB 3.29Å; L107-S110 WeakPolarHBondContact O-CB 3.42Å; L107-S110 PolarHBondContact O-N 3.03Å; L107-S110 PolarHBondContact O-OG 3.42Å; Y108-S110 VanDerWaalsContact C-N 3.32Å; Y108-S110 PolarHBondContact O-N 2.93Å; S110-K112 PolarHBondContact O-N 2.8Å; S110-K112 PolarHBondContact OG-N 2.77Å; S110-K112 VanDerWaalsContact OG-N 3.07Å
111K81.8Confident91Very high196 Ų19649 Ų4985%0.85222%0.223SC*.  trans59.611.6-166.6-46.9178.3-177.1177.80115R109R109-K111 VanDerWaalsContact C-N 3.32Å
112K88.8Confident90.7Very high54 Ų5447.2 Ų47.224%0.23522%0.215CC..SBendtrans-71.3152.1168-74.1-171.4162.6178.30110I80 D81 E82 A83 I86 S110 I114I80-K112 WeakPolarHBondContact O-CD 3.02Å; I80-K112 WeakPolarHBondContact O-CE 3.21Å; I80-K112 PolarHBondContact O-NZ 2.81Å; D81-K112 PolarHBondContact O-NZ 2.68Å; D81-K112 VanDerWaalsContact O-NZ 3.14Å; E82-K112 PolarHBondContact O-NZ 3.2Å; E82-K112 VanDerWaalsContact O-NZ 3.15Å; A83-K112 WeakPolarHBondContact O-CD 3.45Å; A83-K112 VanDerWaalsContact O-CE 3.23Å; A83-K112 WeakPolarHBondContact O-CE 3.38Å; A83-K112 PolarHBondContact O-NZ 2.89Å; I86-K112 HydrophobicContact CD1-CB 4.28Å; I86-K112 HydrophobicContact CD1-CD 4.44Å; S110-K112 PolarHBondContact O-N 2.8Å; S110-K112 PolarHBondContact OG-N 2.77Å; S110-K112 VanDerWaalsContact OG-N 3.07Å; K112-I114 WeakPolarHBondContact O-CG1 3.31Å; K112-I114 PolarHBondContact O-N 3.45Å
113P92.8Very high90.4Very high41 Ų4150.8 Ų50.827%0.26623%0.231SC..  trans-52.2128168.6-26.233.6000111.9D84 V85 I86 H162D84-P113 WeakPolarHBondContact O-CD 3.19Å; V85-P113 HydrophobicContact CG1-CB 4.36Å; V85-P113 HydrophobicContact CG2-CB 4.29Å; I86-P113 PolarHBondContact N-O 2.9Å; P113-H162 HydrophobicContact CB-CB 3.58Å; P113-H162 HydrophobicContact CG-CB 3.71Å
114I95Very high89.7Confident29 Ų2955 Ų5515%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-129126.6179.7-61.1146.8000108.1I86 L88 L107 K112 L138I86-I114 HydrophobicContact CB-CG1 4.3Å; I86-I114 CarbonylContact O-C 3.53Å; I86-I114 VanDerWaalsContact O-CA 3.28Å; I86-I114 WeakPolarHBondContact O-CA 3.43Å; L88-I114 HydrophobicContact CB-CG2 4.14Å; L107-I114 VanDerWaalsContact C-CD1 3.49Å; L107-I114 HydrophobicContact CB-CD1 3.69Å; L107-I114 HydrophobicContact CB-CG1 4.16Å; L107-I114 HydrophobicContact CD1-CG2 4.38Å; L107-I114 WeakPolarHBondContact O-CD1 3.38Å; K112-I114 WeakPolarHBondContact O-CG1 3.31Å; K112-I114 PolarHBondContact O-N 3.45Å; I114-L138 HydrophobicContact CB-CD2 4.44Å; I114-L138 HydrophobicContact CD1-CD2 4.1Å; I114-L138 HydrophobicContact CG2-CD1 3.97Å; I114-L138 HydrophobicContact CG2-CD2 4.1Å; I114-L138 HydrophobicContact CG2-CG 4.46Å
115I95.1Very high89Confident6 Ų662 Ų623%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-114.4124.8177-64.7164.8000107.9V85 I86 L87 L88 M117 Y142 A155 E158 A159V85-I115 HydrophobicContact CG1-CD1 3.94Å; I86-I115 PolarHBondContact O-N 3.49Å; L87-I115 CarbonylContact C-O 3.59Å; L87-I115 HydrophobicContact CD2-CB 3.88Å; L87-I115 HydrophobicContact CD2-CD1 4.2Å; L87-I115 HydrophobicContact CD2-CG2 4.22Å; L88-I115 PolarHBondContact N-O 2.77Å; I115-M117 HydrophobicContact CG2-CG 4.38Å; I115-Y142 HydrophobicContact CG2-CD2 3.7Å; I115-Y142 HydrophobicContact CG2-CE2 4Å; I115-Y142 HydrophobicContact CG2-CG 4.39Å; I115-A155 HydrophobicContact CG2-CB 4.45Å; I115-E158 HydrophobicContact CD1-CB 3.9Å; I115-E158 HydrophobicContact CD1-CG 3.83Å; I115-E158 HydrophobicContact CG1-CG 4.05Å; I115-A159 HydrophobicContact CD1-CB 3.76Å; I115-A159 VanDerWaalsContact CD1-N 3.27Å
116L95.8Very high88.2Confident1 Ų158.2 Ų58.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-90.8106.2-177177.156.2000110L88 A90 F133 L136 L138 P141 Y142L88-L116 HydrophobicContact CB-CD1 4.44Å; L88-L116 HydrophobicContact CD2-CD1 4.2Å; L88-L116 HydrophobicContact CG-CD1 4.15Å; L88-L116 CarbonylContact O-C 3.58Å; L88-L116 WeakPolarHBondContact O-CA 3.41Å; A90-L116 HydrophobicContact CB-CD1 4.4Å; L116-F133 HydrophobicContact CD2-CB 4.2Å; L116-F133 WeakPolarHBondContact CD2-O 3.17Å; L116-L136 HydrophobicContact CD1-CD1 3.88Å; L116-L136 HydrophobicContact CD2-CB 4.28Å; L116-L136 HydrophobicContact CD2-CD1 3.98Å; L116-L138 HydrophobicContact CB-CB 4.37Å; L116-L138 HydrophobicContact CD2-CB 4.45Å; L116-P141 HydrophobicContact CD2-CB 3.91Å; L116-P141 HydrophobicContact CD2-CG 4.13Å; L116-P141 HydrophobicContact CG-CB 4.01Å; L116-P141 CarbonylContact O-C 3.42Å; L116-P141 WeakPolarHBondContact O-CA 3.39Å; L116-Y142 PolarHBondContact O-N 3.33Å
117M95.8Very high87.3Confident2 Ų263.4 Ų63.41%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-97.8116.7177.9-61.5176.38700110.4L87 L88 V89 A90 I115 N119 Y142 V144 L152 A155L87-M117 HydrophobicContact CB-SD 3.81Å; L87-M117 HydrophobicContact CD1-SD 3.75Å; L87-M117 HydrophobicContact CD2-SD 3.97Å; L87-M117 HydrophobicContact CG-SD 4.03Å; L88-M117 PolarHBondContact O-N 2.98Å; V89-M117 WeakPolarHBondContact CA-O 3.47Å; V89-M117 HydrophobicContact CG2-CB 4.4Å; A90-M117 PolarHBondContact N-O 3.14Å; I115-M117 HydrophobicContact CG2-CG 4.38Å; M117-N119 PolarHBondContact O-N 2.88Å; M117-Y142 CarbonylContact C-O 3.59Å; M117-Y142 WeakPolarHBondContact CA-O 3.43Å; M117-V144 HydrophobicContact CB-CG2 4.19Å; M117-V144 HydrophobicContact CE-CB 4.48Å; M117-V144 HydrophobicContact CE-CG1 3.82Å; M117-V144 HydrophobicContact CE-CG2 4.2Å; M117-L152 HydrophobicContact CE-CD2 3.68Å; M117-A155 HydrophobicContact CE-CB 3.86Å; M117-A155 HydrophobicContact CG-CB 4.28Å; M117-A155 HydrophobicContact SD-CB 4.49Å
118V95.6Very high86.5Confident1 Ų168.5 Ų68.51%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-92.197.2176-175.30000108.1V121 F133 P141 Y142 V144V118-V121 HydrophobicContact CB-CG2 4.39Å; V118-V121 HydrophobicContact CG1-CG2 3.86Å; V118-V121 VanDerWaalsContact O-CG2 3.27Å; V118-V121 WeakPolarHBondContact O-CG2 3.49Å; V118-F133 HydrophobicContact CG1-CD2 3.98Å; V118-F133 HydrophobicContact CG1-CE1 4.32Å; V118-F133 HydrophobicContact CG1-CE2 3.73Å; V118-F133 HydrophobicContact CG1-CG 4.37Å; V118-F133 HydrophobicContact CG1-CZ 3.92Å; V118-F133 HydrophobicContact CG2-CB 3.97Å; V118-F133 HydrophobicContact CG2-CD1 3.99Å; V118-F133 HydrophobicContact CG2-CD2 3.96Å; V118-F133 HydrophobicContact CG2-CE2 4.5Å; V118-F133 HydrophobicContact CG2-CG 3.67Å; V118-P141 HydrophobicContact CG2-CB 3.63Å; V118-Y142 PolarHBondContact N-O 3.48Å; V118-V144 PolarHBondContact O-N 3.3Å
119N95.2Very high86Confident4 Ų465.3 Ų65.32%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-85.3163.3-173.9-168.625.8000113.3V14 L19 V89 A90 S91 G92 M117 V121 V144 G146V14-N119 PolarHBondContact O-ND2 2.66Å; L19-N119 HydrophobicContact CD1-CB 4.23Å; V89-N119 HydrophobicContact CG1-CB 3.75Å; A90-N119 WeakPolarHBondContact O-CB 3.45Å; A90-N119 PolarHBondContact O-N 3.06Å; S91-N119 WeakPolarHBondContact CA-O 3.41Å; S91-N119 PolarHBondContact OG-O 3.03Å; G92-N119 PolarHBondContact N-O 3.43Å; M117-N119 PolarHBondContact O-N 2.88Å; N119-V121 VanDerWaalsContact C-N 3.3Å; N119-V144 CarbonylContact C-O 3.58Å; N119-V144 WeakPolarHBondContact CA-O 3.35Å; N119-V144 HydrophobicContact CB-CG2 3.87Å; N119-V144 PolarHBondContact OD1-O 2.91Å; N119-G146 PolarHBondContact OD1-N 2.97Å
120K92.9Very high85.9Confident40 Ų4056.6 Ų56.617%0.17428%0.282CS..  trans68.423.4-175.6-40.6179.4-157.3159.20113.4N13 V14 S91 K93 E94 D122 M126 V144N13-K120 WeakPolarHBondContact O-CE 3.39Å; N13-K120 PolarHBondContact O-NZ 2.77Å; V14-K120 WeakPolarHBondContact O-CE 3.33Å; S91-K120 WeakPolarHBondContact OG-CD 3.21Å; S91-K120 WeakPolarHBondContact OG-CE 3.1Å; S91-K120 PolarHBondContact OG-NZ 2.88Å; K93-K120 HydrophobicContact CD-CB 3.83Å; K93-K120 HydrophobicContact CD-CD 4.15Å; K93-K120 VanDerWaalsContact CE-O 3.25Å; K93-K120 WeakPolarHBondContact CE-O 3.44Å; K93-K120 HydrophobicContact CG-CB 3.95Å; E94-K120 IonicContact OE1-NZ 3.56Å; E94-K120 PolarHBondContact OE1-NZ 2.88Å; E94-K120 IonicContact OE2-NZ 3.31Å; E94-K120 PolarHBondContact OE2-NZ 2.84Å; K120-D122 PolarHBondContact O-N 2.98Å; K120-M126 WeakPolarHBondContact O-CE 3.43Å; K120-V144 PolarHBondContact N-O 2.7Å
121V90.3Very high85.9Confident9 Ų963.3 Ų63.36%0.05530%0.304CS..  trans-82.873.9173-177.50000108.1V118 N119 M126 R127 P143 V144V118-V121 HydrophobicContact CB-CG2 4.39Å; V118-V121 HydrophobicContact CG1-CG2 3.86Å; V118-V121 VanDerWaalsContact O-CG2 3.27Å; V118-V121 WeakPolarHBondContact O-CG2 3.49Å; N119-V121 VanDerWaalsContact C-N 3.3Å; V121-M126 HydrophobicContact CG1-CB 3.95Å; V121-R127 HydrophobicContact CG1-CG 3.83Å; V121-P143 HydrophobicContact CB-CB 4.05Å; V121-P143 HydrophobicContact CG1-CB 3.82Å; V121-P143 HydrophobicContact CG2-CB 4.15Å; V121-V144 PolarHBondContact N-O 3.19Å
122D85.7Confident86.2Confident36 Ų3659 Ų5919%0.19329%0.286CS..  trans-80.9-26.4-170.4-56.5-38.5000112.9K93 K120 S145 H148K93-D122 WeakPolarHBondContact CE-OD2 3.47Å; K93-D122 IonicContact NZ-OD2 3.67Å; K93-D122 PolarHBondContact NZ-OD2 2.82Å; K120-D122 PolarHBondContact O-N 2.98Å; D122-S145 VanDerWaalsContact OD1-CB 3.28Å; D122-S145 WeakPolarHBondContact OD1-CB 3.35Å; D122-S145 PolarHBondContact OD1-OG 2.69Å; D122-H148 IonicContact OD1-CD2 2.62Å
123N83.2Confident86.4Confident98 Ų9856.6 Ų56.652%0.52428%0.276SS..SBendtrans-117.2147.9-177.4-72.8-7.1000111.6E125 M126N123-E125 PolarHBondContact O-N 2.86Å; N123-M126 PolarHBondContact O-N 2.84Å
124P75.4Confident86.3Confident91 Ų9160 Ų6059%0.59128%0.284SS*.G310 helixtrans-57.8-30.8179-27.235.7000115.3M126 R127P124-M126 VanDerWaalsContact C-N 3.32Å; P124-M126 PolarHBondContact O-N 2.72Å; P124-R127 WeakPolarHBondContact O-CB 3.35Å; P124-R127 PolarHBondContact O-N 2.68Å
125E75.8Confident86.1Confident150 Ų15062.3 Ų62.370%0.70130%0.303SS*.G310 helixtrans-63.3-37.4-178.4-63.2178155.600112.3N123 R127 N128N123-E125 PolarHBondContact O-N 2.86Å; E125-R127 PolarHBondContact O-N 2.85Å; E125-R127 VanDerWaalsContact O-N 3.07Å; E125-N128 PolarHBondContact O-N 2.85Å; E125-N128 VanDerWaalsContact O-N 3.13Å; E125-N128 PolarHBondContact O-ND2 2.62Å
126M73.3Confident85.9Confident34 Ų3462.9 Ų62.917%0.16731%0.306CS..G310 helixtrans-64.7-10.1177.3-69.7-178.371.900113.5G92 K93 K120 V121 N123 P124 N128 D129G92-M126 VanDerWaalsContact O-CE 3.31Å; G92-M126 WeakPolarHBondContact O-CE 3.34Å; K93-M126 HydrophobicContact CG-CE 3.6Å; K120-M126 WeakPolarHBondContact O-CE 3.43Å; V121-M126 HydrophobicContact CG1-CB 3.95Å; N123-M126 PolarHBondContact O-N 2.84Å; P124-M126 VanDerWaalsContact C-N 3.32Å; P124-M126 PolarHBondContact O-N 2.72Å; M126-N128 PolarHBondContact O-N 3.17Å; M126-D129 WeakPolarHBondContact CA-OD2 3.5Å; M126-D129 PolarHBondContact O-N 3.43Å
127R71.1Confident85.5Confident144 Ų14465.1 Ų65.154%0.54333%0.33SS..G310 helixtrans-70.3-16.2173.4-65.9-165.6-81.8-157.8-5.8113.2V121 P124 E125 D129 I130 P143V121-R127 HydrophobicContact CG1-CG 3.83Å; P124-R127 WeakPolarHBondContact O-CB 3.35Å; P124-R127 PolarHBondContact O-N 2.68Å; E125-R127 PolarHBondContact O-N 2.85Å; E125-R127 VanDerWaalsContact O-N 3.07Å; R127-D129 VanDerWaalsContact C-N 3.35Å; R127-I130 HydrophobicContact CB-CD1 3.86Å; R127-I130 HydrophobicContact CG-CD1 4.03Å; R127-I130 WeakPolarHBondContact O-CD1 3.31Å; R127-I130 WeakPolarHBondContact O-CG1 3.45Å; R127-P143 HydrophobicContact CG-CB 4.26Å; R127-P143 HydrophobicContact CG-CG 4.32Å
128N74.6Confident85.1Confident108 Ų10866.2 Ų66.258%0.57834%0.335SS*.G310 helixtrans-74.6-26.8171-59.5-62.8000112.3E125 M126 I130 Y131E125-N128 PolarHBondContact O-N 2.85Å; E125-N128 VanDerWaalsContact O-N 3.13Å; E125-N128 PolarHBondContact O-ND2 2.62Å; M126-N128 PolarHBondContact O-N 3.17Å; N128-I130 PolarHBondContact O-N 3.3Å; N128-Y131 WeakPolarHBondContact O-CD2 3.49Å
129D76.5Confident84.7Confident94 Ų9468.2 Ų68.250%0.50336%0.356SS..G310 helixtrans-77.8-8.1-178.3-51.8-43.5000112.2M126 R127 Y131M126-D129 WeakPolarHBondContact CA-OD2 3.5Å; M126-D129 PolarHBondContact O-N 3.43Å; R127-D129 VanDerWaalsContact C-N 3.35Å; D129-Y131 PolarHBondContact O-N 2.74Å
130I83.6Confident84.5Confident18 Ų1874 Ų749%0.09238%0.383CS..G310 helixtrans-62.3-27.9178.7-60.3171.4000112.3R127 N128 E132 F133 P141 P143R127-I130 HydrophobicContact CB-CD1 3.86Å; R127-I130 HydrophobicContact CG-CD1 4.03Å; R127-I130 WeakPolarHBondContact O-CD1 3.31Å; R127-I130 WeakPolarHBondContact O-CG1 3.45Å; N128-I130 PolarHBondContact O-N 3.3Å; I130-E132 PolarHBondContact O-N 2.9Å; I130-F133 WeakPolarHBondContact O-CB 3.49Å; I130-F133 PolarHBondContact O-N 3.13Å; I130-P141 HydrophobicContact CG2-CB 3.71Å; I130-P141 HydrophobicContact CG2-CG 3.77Å; I130-P143 HydrophobicContact CD1-CB 3.55Å; I130-P143 HydrophobicContact CD1-CG 3.65Å; I130-P143 HydrophobicContact CG1-CB 4.46Å
131Y85.2Confident84.5Confident174 Ų17472.3 Ų72.368%0.68238%0.376SS*.G310 helixtrans-57.9-26.1-174.9-68.7-59.2000113.8N128 D129 F133 Y134N128-Y131 WeakPolarHBondContact O-CD2 3.49Å; D129-Y131 PolarHBondContact O-N 2.74Å; Y131-F133 VanDerWaalsContact C-N 3.34Å; Y131-Y134 HydrophobicContact CD1-CE2 4.4Å
132E89.5Confident84.7Confident105 Ų10573.7 Ų73.749%0.49138%0.381SS..G310 helixtrans-64.8-36.9174.6-166-179.8107.100112.3G95 V96 I130 Y134 S135G95-E132 WeakPolarHBondContact CA-OE1 3.3Å; V96-E132 HydrophobicContact CB-CG 4.41Å; V96-E132 HydrophobicContact CG2-CG 3.99Å; V96-E132 PolarHBondContact N-OE1 2.78Å; I130-E132 PolarHBondContact O-N 2.9Å; E132-Y134 VanDerWaalsContact C-N 3.25Å; E132-Y134 PolarHBondContact O-N 2.78Å; E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.97Å; E132-S135 PolarHBondContact O-OG 3.32Å
133F92.4Very high85.1Confident3 Ų373.8 Ų73.81%0.01338%0.383CS..G310 helixtrans-70.4-18-174-65.9-87.8000113.6A90 V96 L116 V118 I130 Y131 S135 L136 P141A90-F133 HydrophobicContact CB-CD1 3.86Å; A90-F133 HydrophobicContact CB-CE1 3.6Å; V96-F133 HydrophobicContact CG2-CB 4.44Å; V96-F133 HydrophobicContact CG2-CD1 3.55Å; V96-F133 HydrophobicContact CG2-CE1 3.8Å; V96-F133 HydrophobicContact CG2-CG 3.98Å; V96-F133 HydrophobicContact CG2-CZ 4.44Å; L116-F133 HydrophobicContact CD2-CB 4.2Å; L116-F133 WeakPolarHBondContact CD2-O 3.17Å; V118-F133 HydrophobicContact CG1-CD2 3.98Å; V118-F133 HydrophobicContact CG1-CE1 4.32Å; V118-F133 HydrophobicContact CG1-CE2 3.73Å; V118-F133 HydrophobicContact CG1-CG 4.37Å; V118-F133 HydrophobicContact CG1-CZ 3.92Å; V118-F133 HydrophobicContact CG2-CB 3.97Å; V118-F133 HydrophobicContact CG2-CD1 3.99Å; V118-F133 HydrophobicContact CG2-CD2 3.96Å; V118-F133 HydrophobicContact CG2-CE2 4.5Å; V118-F133 HydrophobicContact CG2-CG 3.67Å; I130-F133 WeakPolarHBondContact O-CB 3.49Å; I130-F133 PolarHBondContact O-N 3.13Å; Y131-F133 VanDerWaalsContact C-N 3.34Å; F133-S135 PolarHBondContact O-N 3.45Å; F133-L136 WeakPolarHBondContact O-CB 3.39Å; F133-L136 PolarHBondContact O-N 2.81Å; F133-P141 HydrophobicContact CB-CB 4.02Å; F133-P141 HydrophobicContact CB-CG 3.96Å
134Y91.1Very high85.6Confident113 Ų11369.1 Ų69.144%0.44336%0.359SS..G310 helixtrans-59.6-23.2168.3-80.3-92.6000112.9Y131 E132 L136 G137 P141Y131-Y134 HydrophobicContact CD1-CE2 4.4Å; E132-Y134 VanDerWaalsContact C-N 3.25Å; E132-Y134 PolarHBondContact O-N 2.78Å; Y134-L136 PolarHBondContact O-N 2.86Å; Y134-G137 PolarHBondContact O-N 3.43Å; Y134-P141 HydrophobicContact CD2-CG 3.75Å; Y134-P141 HydrophobicContact CE2-CG 3.78Å; Y134-P141 HydrophobicContact CG-CG 4.22Å
135S90.2Very high86.4Confident78 Ų7864.8 Ų64.855%0.54533%0.33SS..G310 helixtrans-59.2-24.4175.363.20000113.9E132 F133 G137E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.97Å; E132-S135 PolarHBondContact O-OG 3.32Å; F133-S135 PolarHBondContact O-N 3.45Å; S135-G137 PolarHBondContact O-N 3.5Å
136L90.9Very high86.9Confident17 Ų1757.7 Ų57.79%0.08930%0.297CS..G310 helixtrans-70-15.9176.7-63.8177.3000113.1V96 E101 A104 L116 F133 Y134 L138V96-L136 HydrophobicContact CG1-CD2 3.79Å; V96-L136 HydrophobicContact CG1-CG 4.27Å; V96-L136 HydrophobicContact CG2-CG 4.49Å; E101-L136 HydrophobicContact CB-CD2 4.45Å; E101-L136 HydrophobicContact CG-CD2 3.99Å; A104-L136 HydrophobicContact CB-CB 4.2Å; A104-L136 HydrophobicContact CB-CD2 3.99Å; L116-L136 HydrophobicContact CD1-CD1 3.88Å; L116-L136 HydrophobicContact CD2-CB 4.28Å; L116-L136 HydrophobicContact CD2-CD1 3.98Å; F133-L136 WeakPolarHBondContact O-CB 3.39Å; F133-L136 PolarHBondContact O-N 2.81Å; Y134-L136 PolarHBondContact O-N 2.86Å; L136-L138 HydrophobicContact CB-CD1 4.31Å; L136-L138 HydrophobicContact CB-CG 4.41Å; L136-L138 PolarHBondContact O-N 3.03Å
137G88Confident87.5Confident49 Ų4959 Ų5951%0.50531%0.309SS..  trans72.821.9173.400000115.4Y134 S135Y134-G137 PolarHBondContact O-N 3.43Å; S135-G137 PolarHBondContact O-N 3.5Å
138L86.9Confident88.3Confident24 Ų2457.7 Ų57.713%0.12631%0.31CS..SBendtrans-101.69.9-173.2-63.3173000114.8L88 A104 Y108 I114 L116 L136L88-L138 HydrophobicContact CD2-CD1 3.42Å; L88-L138 VanDerWaalsContact CD2-CD1 3.42Å; A104-L138 HydrophobicContact CB-CD1 3.86Å; A104-L138 HydrophobicContact CB-CG 4.41Å; Y108-L138 HydrophobicContact CD2-CD2 4.16Å; I114-L138 HydrophobicContact CB-CD2 4.44Å; I114-L138 HydrophobicContact CD1-CD2 4.1Å; I114-L138 HydrophobicContact CG2-CD1 3.97Å; I114-L138 HydrophobicContact CG2-CD2 4.1Å; I114-L138 HydrophobicContact CG2-CG 4.46Å; L116-L138 HydrophobicContact CB-CB 4.37Å; L116-L138 HydrophobicContact CD2-CB 4.45Å; L136-L138 HydrophobicContact CB-CD1 4.31Å; L136-L138 HydrophobicContact CB-CG 4.41Å; L136-L138 PolarHBondContact O-N 3.03Å
139G86.2Confident88.8Confident43 Ų4353.9 Ų53.944%0.44330%0.296SS..SBendtrans100.1-149-176.500000112.8
140E91.1Very high89.3Confident126 Ų12654 Ų5459%0.58930%0.296SS*.  trans-75.9127.5179.7-176.2158.9-165.300111Y142E140-Y142 HydrophobicContact CB-CE2 4.47Å; E140-Y142 VanDerWaalsContact O-CD2 3.3Å; E140-Y142 WeakPolarHBondContact O-CD2 3.49Å; E140-Y142 WeakPolarHBondContact O-CE2 3.34Å
141P93.8Very high89.6Confident4 Ų454 Ų543%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-85.6120.7175.7-3.521.4000111.2L116 V118 I130 F133 Y134 P143L116-P141 HydrophobicContact CD2-CB 3.91Å; L116-P141 HydrophobicContact CD2-CG 4.13Å; L116-P141 HydrophobicContact CG-CB 4.01Å; L116-P141 CarbonylContact O-C 3.42Å; L116-P141 WeakPolarHBondContact O-CA 3.39Å; V118-P141 HydrophobicContact CG2-CB 3.63Å; I130-P141 HydrophobicContact CG2-CB 3.71Å; I130-P141 HydrophobicContact CG2-CG 3.77Å; F133-P141 HydrophobicContact CB-CB 4.02Å; F133-P141 HydrophobicContact CB-CG 3.96Å; Y134-P141 HydrophobicContact CD2-CG 3.75Å; Y134-P141 HydrophobicContact CE2-CG 3.78Å; Y134-P141 HydrophobicContact CG-CG 4.22Å; P141-P143 WeakPolarHBondContact O-CD 3.42Å
142Y94.2Very high89.9Confident38 Ų3846.3 Ų46.315%0.14927%0.271CS..EExtended strand (participates in β ladder)trans-84.1115.2-178.7-68.8-100.7000110.7I115 L116 M117 V118 E140 V144 D154 A155 E158I115-Y142 HydrophobicContact CG2-CD2 3.7Å; I115-Y142 HydrophobicContact CG2-CE2 4Å; I115-Y142 HydrophobicContact CG2-CG 4.39Å; L116-Y142 PolarHBondContact O-N 3.33Å; M117-Y142 CarbonylContact C-O 3.59Å; M117-Y142 WeakPolarHBondContact CA-O 3.43Å; V118-Y142 PolarHBondContact N-O 3.48Å; E140-Y142 HydrophobicContact CB-CE2 4.47Å; E140-Y142 VanDerWaalsContact O-CD2 3.3Å; E140-Y142 WeakPolarHBondContact O-CD2 3.49Å; E140-Y142 WeakPolarHBondContact O-CE2 3.34Å; Y142-V144 PolarHBondContact O-N 3.34Å; Y142-D154 HydrophobicContact CD1-CB 4.02Å; Y142-D154 HydrophobicContact CE1-CB 4.31Å; Y142-D154 VanDerWaalsContact CE1-O 3.25Å; Y142-D154 WeakPolarHBondContact CE1-O 3.35Å; Y142-A155 HydrophobicContact CD1-CB 4.11Å; Y142-A155 HydrophobicContact CG-CB 4.09Å; Y142-E158 HydrophobicContact CE1-CB 4.25Å; Y142-E158 HydrophobicContact CE2-CB 4.45Å; Y142-E158 HydrophobicContact CE2-CG 4.33Å; Y142-E158 WeakPolarHBondContact OH-CB 3.44Å; Y142-E158 WeakPolarHBondContact OH-CG 3.46Å; Y142-E158 PolarHBondContact OH-OE2 2.9Å
143P94.2Very high90Very high38 Ų3842.2 Ų42.225%0.24726%0.257CS..EExtended strand (participates in β ladder)trans-75123.9177.126.6-29.9000111.7V121 R127 I130 P141 G151V121-P143 HydrophobicContact CB-CB 4.05Å; V121-P143 HydrophobicContact CG1-CB 3.82Å; V121-P143 HydrophobicContact CG2-CB 4.15Å; R127-P143 HydrophobicContact CG-CB 4.26Å; R127-P143 HydrophobicContact CG-CG 4.32Å; I130-P143 HydrophobicContact CD1-CB 3.55Å; I130-P143 HydrophobicContact CD1-CG 3.65Å; I130-P143 HydrophobicContact CG1-CB 4.46Å; P141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-G151 WeakPolarHBondContact O-CA 3.14Å
144V94.2Very high90Very high1 Ų147 Ų471%0.00628%0.283CS..  trans-131.2158.4-179.6-53.50000113L19 M117 V118 N119 K120 V121 Y142 L150 G151 L152L19-V144 HydrophobicContact CD2-CG2 3.87Å; M117-V144 HydrophobicContact CB-CG2 4.19Å; M117-V144 HydrophobicContact CE-CB 4.48Å; M117-V144 HydrophobicContact CE-CG1 3.82Å; M117-V144 HydrophobicContact CE-CG2 4.2Å; V118-V144 PolarHBondContact O-N 3.3Å; N119-V144 CarbonylContact C-O 3.58Å; N119-V144 WeakPolarHBondContact CA-O 3.35Å; N119-V144 HydrophobicContact CB-CG2 3.87Å; N119-V144 PolarHBondContact OD1-O 2.91Å; K120-V144 PolarHBondContact N-O 2.7Å; V121-V144 PolarHBondContact N-O 3.19Å; Y142-V144 PolarHBondContact O-N 3.34Å; V144-L150 CarbonylContact C-O 3.56Å; V144-L150 VanDerWaalsContact CA-O 3.26Å; V144-L150 WeakPolarHBondContact CA-O 3.48Å; V144-G151 WeakPolarHBondContact CG1-O 3.48Å; V144-L152 HydrophobicContact CB-CD2 4.43Å; V144-L152 HydrophobicContact CG1-CD2 4.43Å
145S92.5Very high90Very high0 Ų041.6 Ų41.60%026%0.261CS..BIsolated β-bridgetrans-130.4102165.8177.20000110.1D122 S147 H148 G149 L150D122-S145 VanDerWaalsContact OD1-CB 3.28Å; D122-S145 WeakPolarHBondContact OD1-CB 3.35Å; D122-S145 PolarHBondContact OD1-OG 2.69Å; S145-S147 PolarHBondContact O-N 2.89Å; S145-S147 VanDerWaalsContact O-N 3.17Å; S145-S147 PolarHBondContact OG-OG 2.89Å; S145-S147 VanDerWaalsContact OG-OG 3.08Å; S145-H148 PolarHBondContact O-N 2.9Å; S145-H148 VanDerWaalsContact O-N 3.08Å; S145-H148 PolarHBondContact OG-CD2 3.39Å; S145-H148 VanDerWaalsContact OG-CD2 3.3Å; S145-H148 PolarHBondContact OG-N 3.03Å; S145-G149 WeakPolarHBondContact O-CA 3.29Å; S145-G149 PolarHBondContact O-N 3.16Å; S145-L150 PolarHBondContact N-O 3.16Å
146G86.2Confident90.2Very high0 Ų038.3 Ų38.30%024%0.238CC..THydrogen-bonded Turntrans-62-19.7176.200000114.2R22 N119R22-G146 VanDerWaalsContact CZ-O 3.22Å; R22-G146 PolarHBondContact NE-O 3.06Å; R22-G146 PolarHBondContact NH2-O 2.96Å; N119-G146 PolarHBondContact OD1-N 2.97Å
147S86.2Confident90.3Very high61 Ų6140.4 Ų40.443%0.42725%0.249SC..THydrogen-bonded Turntrans-78.9-32.6172.729.20000113.3R22 S145R22-S147 VanDerWaalsContact NH2-C 3.26Å; R22-S147 PolarHBondContact NH2-O 3.49Å; S145-S147 PolarHBondContact O-N 2.89Å; S145-S147 VanDerWaalsContact O-N 3.17Å; S145-S147 PolarHBondContact OG-OG 2.89Å; S145-S147 VanDerWaalsContact OG-OG 3.08Å
148H86.9Confident90.7Very high118 Ų11840.1 Ų40.155%0.54624%0.235SC..THydrogen-bonded Turntrans-110.8-11.6-175.1-61.4-58000114.8D122 S145 L150D122-H148 IonicContact OD1-CD2 2.62Å; S145-H148 PolarHBondContact O-N 2.9Å; S145-H148 VanDerWaalsContact O-N 3.08Å; S145-H148 PolarHBondContact OG-CD2 3.39Å; S145-H148 VanDerWaalsContact OG-CD2 3.3Å; S145-H148 PolarHBondContact OG-N 3.03Å; H148-L150 VanDerWaalsContact C-N 3.29Å; H148-L150 HydrophobicContact CB-CD1 4.05Å; H148-L150 HydrophobicContact CB-CG 3.97Å
149G84.9Confident91Very high28 Ų2839 Ų3929%0.28923%0.229SC..THydrogen-bonded Turntrans81.41.6-177.900000114.7S145S145-G149 WeakPolarHBondContact O-CA 3.29Å; S145-G149 PolarHBondContact O-N 3.16Å
150L88.1Confident91.2Very high95 Ų9538.2 Ų38.250%0.49722%0.215SC..BIsolated β-bridgetrans-70139.6-177.1-54.9171.7000110.8V144 S145 H148 L152V144-L150 CarbonylContact C-O 3.56Å; V144-L150 VanDerWaalsContact CA-O 3.26Å; V144-L150 WeakPolarHBondContact CA-O 3.48Å; S145-L150 PolarHBondContact N-O 3.16Å; H148-L150 VanDerWaalsContact C-N 3.29Å; H148-L150 HydrophobicContact CB-CD1 4.05Å; H148-L150 HydrophobicContact CB-CG 3.97Å; L150-L152 PolarHBondContact O-N 3.36Å
151G88.6Confident91.2Very high19 Ų1938.5 Ų38.520%0.19622%0.215CC..THydrogen-bonded Turntrans71.9-2175.200000116.4P143 V144P143-G151 WeakPolarHBondContact O-CA 3.14Å; V144-G151 WeakPolarHBondContact CG1-O 3.48Å
152L91.3Very high91.1Very high12 Ų1241.9 Ų41.96%0.06323%0.23CC..Hα-helixtrans-64.6-41-179.8-75.9-179.5000112.4L19 R22 M117 V144 L150 A155 L156L19-L152 HydrophobicContact CD2-CD2 3.72Å; R22-L152 HydrophobicContact CB-CD1 4.22Å; R22-L152 HydrophobicContact CG-CD1 3.78Å; M117-L152 HydrophobicContact CE-CD2 3.68Å; V144-L152 HydrophobicContact CB-CD2 4.43Å; V144-L152 HydrophobicContact CG1-CD2 4.43Å; L150-L152 PolarHBondContact O-N 3.36Å; L152-A155 PolarHBondContact O-N 2.83Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.5Å
153G91.5Very high90.9Very high19 Ų1941.2 Ų41.220%0.19623%0.228CC..Hα-helixtrans-60.5-46.6-179.700000112.6A155 L156 D157G153-A155 PolarHBondContact O-N 2.85Å; G153-L156 PolarHBondContact O-N 2.81Å; G153-L156 VanDerWaalsContact O-N 3.12Å; G153-D157 WeakPolarHBondContact O-CB 3.39Å; G153-D157 PolarHBondContact O-N 3.31Å
154D92.3Very high90.2Very high103 Ų10341.2 Ų41.255%0.55123%0.228SC*.Hα-helixtrans-58.3-35.2179.2-49.6-71.8000112.3Y142 E158Y142-D154 HydrophobicContact CD1-CB 4.02Å; Y142-D154 HydrophobicContact CE1-CB 4.31Å; Y142-D154 VanDerWaalsContact CE1-O 3.25Å; Y142-D154 WeakPolarHBondContact CE1-O 3.35Å; D154-E158 PolarHBondContact O-N 3.43Å
155A93.1Very high88.9Confident0 Ų044.8 Ų44.80%026%0.257CS..Hα-helixtrans-80.8-31.4178.600000113.2I115 M117 Y142 L152 G153 A159I115-A155 HydrophobicContact CG2-CB 4.45Å; M117-A155 HydrophobicContact CE-CB 3.86Å; M117-A155 HydrophobicContact CG-CB 4.28Å; M117-A155 HydrophobicContact SD-CB 4.49Å; Y142-A155 HydrophobicContact CD1-CB 4.11Å; Y142-A155 HydrophobicContact CG-CB 4.09Å; L152-A155 PolarHBondContact O-N 2.83Å; G153-A155 PolarHBondContact O-N 2.85Å; A155-A159 PolarHBondContact O-N 3.21Å
156L93.2Very high87.4Confident9 Ų950.5 Ų50.55%0.04729%0.288CS..Hα-helixtrans-75.9-37.1174.1-69.6173.7000111.6I23 W48 F53 L152 G153 E158 A159 V160I23-L156 HydrophobicContact CD1-CD2 4.4Å; I23-L156 HydrophobicContact CG2-CD2 4.35Å; W48-L156 HydrophobicContact CB-CB 4.4Å; W48-L156 HydrophobicContact CB-CD1 4.4Å; W48-L156 HydrophobicContact CD2-CB 3.82Å; W48-L156 HydrophobicContact CD2-CD1 3.78Å; W48-L156 HydrophobicContact CD2-CG 4.47Å; W48-L156 HydrophobicContact CE3-CD1 3.72Å; W48-L156 HydrophobicContact CG-CB 3.68Å; W48-L156 HydrophobicContact CG-CD1 4.08Å; W48-L156 HydrophobicContact CG-CG 4.48Å; W48-L156 HydrophobicContact CZ3-CD1 4.35Å; F53-L156 HydrophobicContact CZ-CD2 4.12Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 3.5Å; G153-L156 PolarHBondContact O-N 2.81Å; G153-L156 VanDerWaalsContact O-N 3.12Å; L156-E158 PolarHBondContact O-N 2.93Å; L156-A159 PolarHBondContact O-N 3.05Å; L156-A159 VanDerWaalsContact O-N 3.08Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.79Å
157D94Very high85.4Confident62 Ų6254.2 Ų54.233%0.33231%0.308SS..Hα-helixtrans-56.8-38.4169.1-81.52.8000111.4W48 L49 G153 K161W48-D157 PolarHBondContact NE1-OD1 3.01Å; L49-D157 VanDerWaalsContact CD1-OD1 3.25Å; L49-D157 WeakPolarHBondContact CD1-OD1 3.45Å; G153-D157 WeakPolarHBondContact O-CB 3.39Å; G153-D157 PolarHBondContact O-N 3.31Å; D157-K161 WeakPolarHBondContact O-CD 3.29Å; D157-K161 WeakPolarHBondContact O-CE 3.37Å; D157-K161 VanDerWaalsContact O-CG 3.31Å; D157-K161 WeakPolarHBondContact O-CG 3.5Å; D157-K161 PolarHBondContact O-NZ 2.86Å
158E94.5Very high83.4Confident43 Ų4358.7 Ų58.720%0.20132%0.322CS..Hα-helixtrans-71.2-43.9171.5-167.362.4-15600111.8I115 Y142 D154 L156 V160 K161 H162I115-E158 HydrophobicContact CD1-CB 3.9Å; I115-E158 HydrophobicContact CD1-CG 3.83Å; I115-E158 HydrophobicContact CG1-CG 4.05Å; Y142-E158 HydrophobicContact CE1-CB 4.25Å; Y142-E158 HydrophobicContact CE2-CB 4.45Å; Y142-E158 HydrophobicContact CE2-CG 4.33Å; Y142-E158 WeakPolarHBondContact OH-CB 3.44Å; Y142-E158 WeakPolarHBondContact OH-CG 3.46Å; Y142-E158 PolarHBondContact OH-OE2 2.9Å; D154-E158 PolarHBondContact O-N 3.43Å; L156-E158 PolarHBondContact O-N 2.93Å; E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 2.92Å; E158-K161 WeakPolarHBondContact O-CB 3.03Å; E158-K161 PolarHBondContact O-N 2.87Å; E158-K161 WeakPolarHBondContact OE2-CD 3.42Å; E158-K161 IonicContact OE2-NZ 3.18Å; E158-K161 PolarHBondContact OE2-NZ 2.94Å; E158-H162 PolarHBondContact O-CD2 2.76Å; E158-H162 IonicContact OE1-CD2 3.84Å; E158-H162 IonicContact OE1-CE1 3.1Å; E158-H162 IonicContact OE1-NE2 2.7Å; E158-H162 PolarHBondContact OE1-NE2 2.7Å
159A93.4Very high81.4Confident0 Ų057 Ų570%031%0.314CS..Hα-helixtrans-58-44.2-179.900000112.8I6 V85 I115 A155 L156 K161 H162 F163I6-A159 HydrophobicContact CD1-CB 4.06Å; V85-A159 HydrophobicContact CG1-CB 4.15Å; I115-A159 HydrophobicContact CD1-CB 3.76Å; I115-A159 VanDerWaalsContact CD1-N 3.27Å; A155-A159 PolarHBondContact O-N 3.21Å; L156-A159 PolarHBondContact O-N 3.05Å; L156-A159 VanDerWaalsContact O-N 3.08Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.27Å; A159-H162 PolarHBondContact O-N 3.36Å; A159-H162 VanDerWaalsContact O-N 3.09Å; A159-F163 HydrophobicContact CB-CE1 4.45Å; A159-F163 WeakPolarHBondContact O-CD1 3.35Å; A159-F163 WeakPolarHBondContact O-CE1 3.3Å; A159-F163 PolarHBondContact O-N 3.1Å
160V91.6Very high79.5Confident27 Ų2762.9 Ų62.916%0.16434%0.339CS..Hα-helixtrans-60.2-37.8178.8165.90000112.3H51 L156 E158 H162 F163H51-V160 HydrophobicContact CB-CG1 4.47Å; H51-V160 HydrophobicContact CB-CG2 4.2Å; H51-V160 WeakPolarHBondContact CD2-CG1 3.42Å; H51-V160 WeakPolarHBondContact NE2-CG1 3.45Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.79Å; E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 2.92Å; V160-H162 PolarHBondContact O-N 3.47Å; V160-H162 VanDerWaalsContact O-N 3.15Å; V160-F163 HydrophobicContact CB-CE2 4.46Å; V160-F163 HydrophobicContact CG2-CD2 4.35Å; V160-F163 HydrophobicContact CG2-CE2 3.82Å; V160-F163 HydrophobicContact CG2-CZ 4.01Å; V160-F163 WeakPolarHBondContact O-CB 3.39Å; V160-F163 PolarHBondContact O-N 2.81Å; V160-F163 VanDerWaalsContact O-N 3.15Å
161K91.6Very high77.9Confident131 Ų13166.3 Ų66.357%0.5735%0.353SS*.Hα-helixtrans-62.3-22.7177.1-64.1162.5-161.1133.80113.4D157 E158 A159D157-K161 WeakPolarHBondContact O-CD 3.29Å; D157-K161 WeakPolarHBondContact O-CE 3.37Å; D157-K161 VanDerWaalsContact O-CG 3.31Å; D157-K161 WeakPolarHBondContact O-CG 3.5Å; D157-K161 PolarHBondContact O-NZ 2.86Å; E158-K161 WeakPolarHBondContact O-CB 3.03Å; E158-K161 PolarHBondContact O-N 2.87Å; E158-K161 WeakPolarHBondContact OE2-CD 3.42Å; E158-K161 IonicContact OE2-NZ 3.18Å; E158-K161 PolarHBondContact OE2-NZ 2.94Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.27Å
162H91.5Very high76.9Confident76 Ų7667.8 Ų67.835%0.35236%0.356SS..THydrogen-bonded Turntrans-102.12.9-178.9-64.6-65.9000113.5V85 P113 E158 A159 V160V85-H162 HydrophobicContact CG2-CB 3.8Å; P113-H162 HydrophobicContact CB-CB 3.58Å; P113-H162 HydrophobicContact CG-CB 3.71Å; E158-H162 PolarHBondContact O-CD2 2.76Å; E158-H162 IonicContact OE1-CD2 3.84Å; E158-H162 IonicContact OE1-CE1 3.1Å; E158-H162 IonicContact OE1-NE2 2.7Å; E158-H162 PolarHBondContact OE1-NE2 2.7Å; A159-H162 PolarHBondContact O-N 3.36Å; A159-H162 VanDerWaalsContact O-N 3.09Å; V160-H162 PolarHBondContact O-N 3.47Å; V160-H162 VanDerWaalsContact O-N 3.15Å
163F89.6Confident76.1Confident24 Ų2474.8 Ų74.811%0.10539%0.388CS..SBendtrans-59.7150.2170.5-72.80.6000110.2P4 I6 H51 F53 V85 A159 V160 A165P4-F163 HydrophobicContact CB-CB 4.12Å; P4-F163 HydrophobicContact CB-CD1 3.8Å; P4-F163 HydrophobicContact CB-CD2 3.68Å; P4-F163 HydrophobicContact CB-CE1 4.07Å; P4-F163 HydrophobicContact CB-CE2 3.94Å; P4-F163 HydrophobicContact CB-CG 3.59Å; P4-F163 HydrophobicContact CB-CZ 4.14Å; P4-F163 HydrophobicContact CG-CB 4.03Å; P4-F163 HydrophobicContact CG-CD2 3.62Å; P4-F163 HydrophobicContact CG-CE2 4.15Å; P4-F163 HydrophobicContact CG-CG 3.83Å; I6-F163 HydrophobicContact CD1-CE1 3.85Å; I6-F163 HydrophobicContact CD1-CZ 3.95Å; I6-F163 HydrophobicContact CG1-CE1 3.94Å; I6-F163 HydrophobicContact CG1-CZ 4.31Å; H51-F163 HydrophobicContact CB-CD2 4.41Å; H51-F163 HydrophobicContact CB-CE2 4.02Å; F53-F163 HydrophobicContact CB-CE2 4.01Å; F53-F163 HydrophobicContact CB-CZ 3.7Å; F53-F163 HydrophobicContact CD1-CE2 4.12Å; F53-F163 AromaticContact CD1-CZ 3.81Å; F53-F163 HydrophobicContact CD1-CZ 3.81Å; F53-F163 HydrophobicContact CG-CE2 4.4Å; F53-F163 AromaticContact CG-CZ 3.88Å; F53-F163 HydrophobicContact CG-CZ 3.88Å; V85-F163 HydrophobicContact CG2-CD1 3.97Å; V85-F163 HydrophobicContact CG2-CE1 4.34Å; A159-F163 HydrophobicContact CB-CE1 4.45Å; A159-F163 WeakPolarHBondContact O-CD1 3.35Å; A159-F163 WeakPolarHBondContact O-CE1 3.3Å; A159-F163 PolarHBondContact O-N 3.1Å; V160-F163 HydrophobicContact CB-CE2 4.46Å; V160-F163 HydrophobicContact CG2-CD2 4.35Å; V160-F163 HydrophobicContact CG2-CE2 3.82Å; V160-F163 HydrophobicContact CG2-CZ 4.01Å; V160-F163 WeakPolarHBondContact O-CB 3.39Å; V160-F163 PolarHBondContact O-N 2.81Å; V160-F163 VanDerWaalsContact O-N 3.15Å; F163-A165 PolarHBondContact O-N 3.06Å
164P79.3Confident75.8Confident38 Ų3874 Ų7425%0.24738%0.38CS..PPolyproline II helixtrans-55.5128.616826.7-34.3000108.2P4 D166P4-P164 HydrophobicContact CG-CG 4.24Å; P164-D166 PolarHBondContact O-N 2.71Å
165A67Low75.7Confident75 Ų7569.8 Ų69.862%0.6236%0.357SS*.PPolyproline II helixtrans-56.8139170.200000108.9F163 N167F163-A165 PolarHBondContact O-N 3.06Å; A165-N167 PolarHBondContact O-N 3.01Å
166D59.6Low75.6Confident121 Ų12172.5 Ų72.565%0.64737%0.369SS*.  trans-62.291.9165.5-67.2-60.3000107.7M1 P164 E168M1-D166 HydrophobicContact CE-CB 3.91Å; P164-D166 PolarHBondContact O-N 2.71Å; D166-E168 PolarHBondContact O-N 3.16Å
167N45.5Very low75.6Confident78 Ų7872.1 Ų72.142%0.41737%0.367SS..  trans-63.4126.9170.3-74.7-18.1000107.1A165 E169A165-N167 PolarHBondContact O-N 3.01Å; N167-E169 HydrophobicContact CB-CG 3.37Å; N167-E169 WeakPolarHBondContact CB-OE1 3.49Å; N167-E169 PolarHBondContact ND2-OE1 2.72Å; N167-E169 PolarHBondContact O-N 3.16Å
168E44.2Very low75.6Confident155 Ų15569.2 Ų69.272%0.72435%0.352SS*.  trans-72.369.5164.5-59.6-172.8-177.400108.5D166 K411D166-E168 PolarHBondContact O-N 3.16Å; E168-K411 WeakPolarHBondContact OE1-CE 3.36Å; E168-K411 IonicContact OE1-NZ 2.67Å; E168-K411 PolarHBondContact OE1-NZ 3.02Å; E168-K411 IonicContact OE2-NZ 3.66Å; E168-K411 PolarHBondContact OE2-NZ 3.07Å
169E44.2Very low75.5Confident81 Ų8167.4 Ų67.438%0.37934%0.343SS..  trans-77.4136.2170.9-47.4-170.817200107.8N167 E171 T209N167-E169 HydrophobicContact CB-CG 3.37Å; N167-E169 WeakPolarHBondContact CB-OE1 3.49Å; N167-E169 PolarHBondContact ND2-OE1 2.72Å; N167-E169 PolarHBondContact O-N 3.16Å; E169-E171 PolarHBondContact O-N 3.1Å; E169-T209 HydrophobicContact CB-CG2 4.4Å; E169-T209 HydrophobicContact CG-CG2 3.86Å; E169-T209 WeakPolarHBondContact OE1-CB 3.35Å; E169-T209 WeakPolarHBondContact OE1-CG2 3.47Å; E169-T209 WeakPolarHBondContact OE2-CB 3.46Å; E169-T209 WeakPolarHBondContact OE2-CG2 3.41Å; E169-T209 PolarHBondContact OE2-OG1 3.33Å
170D46.1Very low75.4Confident153 Ų15367.6 Ų67.682%0.81834%0.344SS*.  trans-48.6137.2-176.6-59.9-75.3000111.3D172D170-D172 PolarHBondContact O-N 2.69Å
171E54.1Low75.4Confident167 Ų16766.4 Ų66.478%0.7834%0.337SS*.  trans-52.5101.9-174.5-76-168.1157.600111.5E169 Q173E169-E171 PolarHBondContact O-N 3.1Å; E171-Q173 VanDerWaalsContact C-N 3.3Å; E171-Q173 PolarHBondContact O-N 2.73Å
172D66.7Low75.1Confident49 Ų4960.4 Ų60.426%0.26231%0.311SS..  trans-80.881.8-176.1178.115.4000110D170 S174 K176 K216D170-D172 PolarHBondContact O-N 2.69Å; D172-S174 PolarHBondContact O-N 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.32Å; D172-S174 PolarHBondContact OD1-N 2.72Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; D172-K176 VanDerWaalsContact CG-CE 3.46Å; D172-K176 VanDerWaalsContact CG-NZ 3.31Å; D172-K176 WeakPolarHBondContact OD2-CE 3.38Å; D172-K176 IonicContact OD2-NZ 2.64Å; D172-K176 PolarHBondContact OD2-NZ 2.88Å; D172-K216 IonicContact OD1-NZ 3.42Å; D172-K216 PolarHBondContact OD1-NZ 3Å; D172-K216 IonicContact OD2-NZ 2.92Å; D172-K216 PolarHBondContact OD2-NZ 2.94Å
173Q74.2Confident74.6Confident159 Ų15958.4 Ų58.474%0.74331%0.305SS*.  trans-67.56.1-179-64.71792.900114E171E171-Q173 VanDerWaalsContact C-N 3.3Å; E171-Q173 PolarHBondContact O-N 2.73Å
174S86.7Confident74.3Confident4 Ų463.8 Ų63.83%0.02834%0.335CS..SBendtrans-74.3137.5172.270.30000111.1D172 K176 E224 T226D172-S174 PolarHBondContact O-N 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.32Å; D172-S174 PolarHBondContact OD1-N 2.72Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; S174-K176 PolarHBondContact O-N 3.08Å; S174-E224 CarbonylContact C-O 3.52Å; S174-E224 VanDerWaalsContact CA-O 3.3Å; S174-E224 WeakPolarHBondContact CA-O 3.37Å; S174-T226 WeakPolarHBondContact OG-CB 3.38Å; S174-T226 PolarHBondContact OG-OG1 3.11Å
175I89.6Confident74.9Confident14 Ų1462 Ų627%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-69.4120179.7-59.1167.9000108.7Q223 E224 F225 T226 V260 I343I175-Q223 HydrophobicContact CD1-CG 3.8Å; I175-Q223 HydrophobicContact CG1-CG 4.46Å; I175-E224 PolarHBondContact N-O 3.02Å; I175-F225 HydrophobicContact CB-CD1 3.97Å; I175-F225 HydrophobicContact CB-CE1 4.34Å; I175-F225 HydrophobicContact CD1-CD1 4.47Å; I175-F225 HydrophobicContact CD1-CE1 4.01Å; I175-F225 WeakPolarHBondContact O-CA 3.16Å; I175-T226 PolarHBondContact O-N 3.39Å; I175-V260 HydrophobicContact CG2-CG2 4.25Å; I175-I343 HydrophobicContact CG2-CG2 3.71Å
176K91.3Very high75.9Confident56 Ų5659.1 Ų59.124%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-89.5126.7-176.2-71.9160.8-169.3-171.10109.5D172 S174 T226 I228 R257 S258 D259 V260D172-K176 VanDerWaalsContact CG-CE 3.46Å; D172-K176 VanDerWaalsContact CG-NZ 3.31Å; D172-K176 WeakPolarHBondContact OD2-CE 3.38Å; D172-K176 IonicContact OD2-NZ 2.64Å; D172-K176 PolarHBondContact OD2-NZ 2.88Å; S174-K176 PolarHBondContact O-N 3.08Å; K176-T226 WeakPolarHBondContact CA-O 3.14Å; K176-T226 HydrophobicContact CG-CG2 4.36Å; K176-I228 HydrophobicContact CB-CD1 4.26Å; K176-I228 HydrophobicContact CB-CG1 4.31Å; K176-I228 HydrophobicContact CG-CD1 4.37Å; K176-R257 WeakPolarHBondContact CB-O 3.48Å; K176-S258 CarbonylContact O-C 3.52Å; K176-D259 WeakPolarHBondContact CB-OD2 3.34Å; K176-D259 PolarHBondContact N-OD2 3.47Å; K176-D259 PolarHBondContact O-N 3.1Å; K176-V260 PolarHBondContact O-N 3.44Å; K176-V260 VanDerWaalsContact O-N 3.13Å
177F93.9Very high77.3Confident1 Ų154.9 Ų54.90%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-145.6150.8-179.180-78.4000114.3L179 F217 F225 T226 M227 I228 V260 L262 I343F177-L179 HydrophobicContact CD2-CD1 4.24Å; F177-L179 HydrophobicContact CE2-CD1 3.82Å; F177-F217 AromaticContact CE1-CE1 3.54Å; F177-F217 HydrophobicContact CE1-CE1 3.54Å; F177-F217 AromaticContact CE1-CZ 3.59Å; F177-F217 HydrophobicContact CE1-CZ 3.59Å; F177-F217 AromaticContact CZ-CE1 3.66Å; F177-F217 HydrophobicContact CZ-CE1 3.66Å; F177-F217 AromaticContact CZ-CZ 3.67Å; F177-F217 HydrophobicContact CZ-CZ 3.67Å; F177-F225 HydrophobicContact CD1-CB 4.37Å; F177-F225 HydrophobicContact CE1-CB 3.97Å; F177-T226 PolarHBondContact N-O 3.26Å; F177-M227 HydrophobicContact CE1-CB 3.94Å; F177-M227 HydrophobicContact CE1-CG 4.33Å; F177-M227 HydrophobicContact CE2-CE 4.06Å; F177-M227 HydrophobicContact CE2-CG 4.12Å; F177-M227 HydrophobicContact CZ-CB 3.95Å; F177-M227 HydrophobicContact CZ-CE 3.63Å; F177-M227 HydrophobicContact CZ-CG 3.9Å; F177-M227 CarbonylContact O-C 3.47Å; F177-M227 WeakPolarHBondContact O-CA 3.29Å; F177-I228 WeakPolarHBondContact O-CB 3.14Å; F177-I228 PolarHBondContact O-N 3.32Å; F177-V260 WeakPolarHBondContact CA-O 3.48Å; F177-V260 HydrophobicContact CB-CB 4.31Å; F177-V260 WeakPolarHBondContact CB-O 3.37Å; F177-L262 HydrophobicContact CD2-CD1 3.99Å; F177-L262 HydrophobicContact CD2-CD2 4.21Å; F177-L262 HydrophobicContact CE2-CD2 4.26Å; F177-I343 HydrophobicContact CB-CG2 4.43Å; F177-I343 HydrophobicContact CD1-CD1 4.28Å; F177-I343 HydrophobicContact CD2-CD1 3.66Å; F177-I343 HydrophobicContact CE1-CD1 4.38Å; F177-I343 HydrophobicContact CE2-CD1 3.75Å; F177-I343 HydrophobicContact CG-CD1 3.92Å; F177-I343 HydrophobicContact CZ-CD1 4.12Å
178S93.1Very high79.1Confident1 Ų153.4 Ų53.41%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-126.1156.4179.754.60000112.1A254 S258 V260 L262S178-A254 PolarHBondContact OG-O 2.86Å; S178-S258 WeakPolarHBondContact CB-OG 3.41Å; S178-S258 PolarHBondContact N-OG 2.7Å; S178-S258 VanDerWaalsContact N-OG 3.17Å; S178-S258 PolarHBondContact OG-OG 3.15Å; S178-V260 PolarHBondContact N-O 2.97Å; S178-L262 WeakPolarHBondContact O-CB 3.39Å; S178-L262 PolarHBondContact O-N 2.77Å
179L93.2Very high81.1Confident5 Ų549 Ų493%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-108.1115.7168.3-7080.6000108.5F177 K187 L190 I191 M227 M233 L262 V264F177-L179 HydrophobicContact CD2-CD1 4.24Å; F177-L179 HydrophobicContact CE2-CD1 3.82Å; L179-K187 WeakPolarHBondContact O-CD 3.47Å; L179-L190 HydrophobicContact CD2-CB 3.63Å; L179-L190 HydrophobicContact CD2-CD1 4.04Å; L179-I191 HydrophobicContact CD1-CD1 4.46Å; L179-I191 HydrophobicContact CD1-CG1 4.04Å; L179-I191 HydrophobicContact CD2-CG1 4.07Å; L179-M227 HydrophobicContact CD1-CE 4.41Å; L179-M227 HydrophobicContact CD1-CG 4.34Å; L179-M227 HydrophobicContact CD1-SD 4.24Å; L179-M233 HydrophobicContact CB-CE 4.37Å; L179-M233 WeakPolarHBondContact O-CE 3.15Å; L179-L262 HydrophobicContact CD1-CD2 4.26Å; L179-L262 HydrophobicContact CG-CB 4.15Å; L179-L262 HydrophobicContact CG-CD2 4Å; L179-V264 HydrophobicContact CB-CG2 4.14Å; L179-V264 HydrophobicContact CD2-CG2 4.22Å; L179-V264 HydrophobicContact CG-CG2 4.42Å
180I91.4Very high83.3Confident4 Ų445.2 Ų45.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-118176.8-179.767.5175.4000111.3A251 A254 I255 V261 L262 V263 V264 I278 A282I180-A251 HydrophobicContact CB-CB 4.09Å; I180-A251 HydrophobicContact CG2-CB 3.96Å; I180-A254 HydrophobicContact CG2-CB 4.25Å; I180-I255 HydrophobicContact CD1-CD1 3.67Å; I180-I255 HydrophobicContact CD1-CG1 3.77Å; I180-V261 HydrophobicContact CD1-CG1 3.2Å; I180-V261 HydrophobicContact CG1-CG1 3.64Å; I180-L262 PolarHBondContact N-O 3.27Å; I180-V263 HydrophobicContact CD1-CG2 4.2Å; I180-V263 HydrophobicContact CG1-CG2 4.2Å; I180-V264 WeakPolarHBondContact O-CB 3.39Å; I180-V264 PolarHBondContact O-N 3.04Å; I180-I278 HydrophobicContact CB-CG2 3.88Å; I180-I278 HydrophobicContact CD1-CG2 3.52Å; I180-I278 HydrophobicContact CG1-CG2 3.72Å; I180-A282 HydrophobicContact CD1-CB 4.32Å
181G89.8Confident85.3Confident2 Ų238 Ų382%0.02120%0.202CC..  trans124.4172.7-175.500000111.9K187G181-K187 PolarHBondContact O-NZ 3.23Å
182R86.2Confident86.7Confident6 Ų634.3 Ų34.32%0.02319%0.188CC..SBendtrans-63.9169.6-174.963.4-168.6164.491-10.6114.8V185 K187 E269 G270 R272 Q274 D275R182-V185 HydrophobicContact CB-CG1 4.48Å; R182-V185 HydrophobicContact CG-CG1 3.41Å; R182-V185 VanDerWaalsContact CG-CG1 3.41Å; R182-V185 WeakPolarHBondContact O-CG2 3.49Å; R182-K187 PolarHBondContact O-NZ 3.18Å; R182-K187 VanDerWaalsContact O-NZ 3.07Å; R182-E269 IonicContact CZ-OE2 3.13Å; R182-E269 IonicContact NH1-OE1 3.24Å; R182-E269 IonicContact NH1-OE2 3.73Å; R182-E269 PolarHBondContact NH1-OE2 3.47Å; R182-G270 PolarHBondContact NH2-O 3.17Å; R182-R272 VanDerWaalsContact NH1-NH1 3.19Å; R182-Q274 HydrophobicContact CB-CG 4.46Å; R182-D275 WeakPolarHBondContact CD-OD1 2.94Å; R182-D275 WeakPolarHBondContact CD-OD2 3.28Å; R182-D275 WeakPolarHBondContact CG-OD1 3.41Å; R182-D275 IonicContact CZ-OD2 3.64Å; R182-D275 IonicContact NE-OD1 2.85Å; R182-D275 PolarHBondContact NE-OD1 3.38Å; R182-D275 IonicContact NE-OD2 3.66Å; R182-D275 PolarHBondContact NE-OD2 3.14Å; R182-D275 IonicContact NH2-OD2 3.4Å
183P80.7Confident87.7Confident34 Ų3432.4 Ų32.422%0.22118%0.179CC..THydrogen-bonded Turntrans-56153.3171.4-27.837.1000112.9V185P183-V185 PolarHBondContact O-N 2.99Å
184N83.7Confident88.2Confident137 Ų13725 Ų2573%0.73315%0.145SC*.THydrogen-bonded Turntrans60.55.6174.2-56-61.3000118.2G186 K295N184-G186 PolarHBondContact O-N 2.88Å; N184-K295 VanDerWaalsContact O-CE 3.28Å; N184-K295 WeakPolarHBondContact O-CE 3.25Å; N184-K295 PolarHBondContact O-NZ 3.42Å
185V90.8Very high87.9Confident0 Ų026 Ų260%015%0.149CC..SBendtrans-66.3-14.5170.4-56.90000113.6R182 P183 K187 V264 N266 N294R182-V185 HydrophobicContact CB-CG1 4.48Å; R182-V185 HydrophobicContact CG-CG1 3.41Å; R182-V185 VanDerWaalsContact CG-CG1 3.41Å; R182-V185 WeakPolarHBondContact O-CG2 3.49Å; P183-V185 PolarHBondContact O-N 2.99Å; V185-K187 HydrophobicContact CG2-CD 4.26Å; V185-K187 HydrophobicContact CG2-CG 3.52Å; V185-V264 HydrophobicContact CB-CG1 4.12Å; V185-V264 HydrophobicContact CG2-CB 3.9Å; V185-V264 HydrophobicContact CG2-CG1 3.69Å; V185-V264 WeakPolarHBondContact CG2-O 3.46Å; V185-N266 HydrophobicContact CB-CB 4.38Å; V185-N266 HydrophobicContact CG1-CB 4.21Å; V185-N294 PolarHBondContact O-ND2 2.78Å
186G88.9Confident87.4Confident14 Ų1427.2 Ų27.214%0.14417%0.166CC..  trans100.123.217500000115.5N184 S188 S189 L190N184-G186 PolarHBondContact O-N 2.88Å; G186-S188 PolarHBondContact O-N 2.59Å; G186-S189 WeakPolarHBondContact O-CA 3.34Å; G186-S189 VanDerWaalsContact O-CB 3.31Å; G186-S189 WeakPolarHBondContact O-CB 3.27Å; G186-S189 PolarHBondContact O-N 3.49Å; G186-L190 PolarHBondContact O-N 2.87Å
187K88.6Confident86.4Confident33 Ų3326.4 Ų26.414%0.14316%0.163CC..Hα-helixtrans-49.2-55.9178.7-53.1-167.6-67.1-91.30112.9L179 G181 R182 V185 S189 L190 I191 M233 V264L179-K187 WeakPolarHBondContact O-CD 3.47Å; G181-K187 PolarHBondContact O-NZ 3.23Å; R182-K187 PolarHBondContact O-NZ 3.18Å; R182-K187 VanDerWaalsContact O-NZ 3.07Å; V185-K187 HydrophobicContact CG2-CD 4.26Å; V185-K187 HydrophobicContact CG2-CG 3.52Å; K187-S189 PolarHBondContact O-N 3.39Å; K187-L190 WeakPolarHBondContact O-CB 3.26Å; K187-L190 PolarHBondContact O-N 3.37Å; K187-L190 VanDerWaalsContact O-N 3.07Å; K187-I191 WeakPolarHBondContact O-CG1 3.46Å; K187-I191 PolarHBondContact O-N 3.15Å; K187-M233 HydrophobicContact CB-CE 4.28Å; K187-M233 HydrophobicContact CB-SD 3.5Å; K187-M233 VanDerWaalsContact CB-SD 3.5Å; K187-M233 HydrophobicContact CD-SD 4.19Å; K187-M233 HydrophobicContact CG-SD 4.45Å; K187-V264 HydrophobicContact CG-CB 4.31Å; K187-V264 HydrophobicContact CG-CG2 4.38Å
188S83Confident84.7Confident46 Ų4634.5 Ų34.532%0.32221%0.206SC..Hα-helixtrans-61.7-28.4178-43.60000113.5G186 N192 M233G186-S188 PolarHBondContact O-N 2.59Å; S188-N192 PolarHBondContact O-N 2.98Å; S188-N192 VanDerWaalsContact O-N 3.15Å; S188-N192 PolarHBondContact O-ND2 3.08Å; S188-M233 PolarHBondContact OG-O 2.95Å; S188-M233 VanDerWaalsContact OG-O 3.07Å
189S87.8Confident83.2Confident64 Ų6440.1 Ų40.145%0.44823%0.227SC..Hα-helixtrans-71.9-41174.1-48.60000111.6G186 K187 A193G186-S189 WeakPolarHBondContact O-CA 3.34Å; G186-S189 VanDerWaalsContact O-CB 3.31Å; G186-S189 WeakPolarHBondContact O-CB 3.27Å; G186-S189 PolarHBondContact O-N 3.49Å; K187-S189 PolarHBondContact O-N 3.39Å; S189-A193 VanDerWaalsContact O-CB 3.23Å; S189-A193 WeakPolarHBondContact O-CB 3.14Å; S189-A193 PolarHBondContact O-N 3.2Å
190L90.6Very high81.8Confident0 Ų040.9 Ų40.90%023%0.232CC..Hα-helixtrans-62.4-46.3172.8-73.7170.4000111L179 G186 K187 N192 A193 I194 V264 V292 N294 V328 A330 L336L179-L190 HydrophobicContact CD2-CB 3.63Å; L179-L190 HydrophobicContact CD2-CD1 4.04Å; G186-L190 PolarHBondContact O-N 2.87Å; K187-L190 WeakPolarHBondContact O-CB 3.26Å; K187-L190 PolarHBondContact O-N 3.37Å; K187-L190 VanDerWaalsContact O-N 3.07Å; L190-N192 PolarHBondContact O-N 2.81Å; L190-A193 PolarHBondContact O-N 3.43Å; L190-A193 VanDerWaalsContact O-N 3.15Å; L190-I194 HydrophobicContact CB-CD1 4.45Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.45Å; L190-I194 PolarHBondContact O-N 3.09Å; L190-V264 HydrophobicContact CD1-CB 4.38Å; L190-V264 HydrophobicContact CD1-CG1 3.55Å; L190-V264 HydrophobicContact CD1-CG2 3.82Å; L190-V292 HydrophobicContact CD1-CG1 4.08Å; L190-N294 HydrophobicContact CD1-CB 4.17Å; L190-V328 HydrophobicContact CD2-CG2 3.9Å; L190-A330 HydrophobicContact CD2-CB 3.88Å; L190-A330 HydrophobicContact CG-CB 4.12Å; L190-L336 HydrophobicContact CD2-CD2 3.57Å
191I87.3Confident80.4Confident2 Ų246.5 Ų46.51%0.0126%0.26CS..Hα-helixtrans-53.6-53.2176.7-70.1-175.4000111.1L179 K187 A193 I194 L195 M227 M233L179-I191 HydrophobicContact CD1-CD1 4.46Å; L179-I191 HydrophobicContact CD1-CG1 4.04Å; L179-I191 HydrophobicContact CD2-CG1 4.07Å; K187-I191 WeakPolarHBondContact O-CG1 3.46Å; K187-I191 PolarHBondContact O-N 3.15Å; I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 2.83Å; I191-I194 PolarHBondContact O-N 2.89Å; I191-L195 HydrophobicContact CG2-CD1 3.73Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 VanDerWaalsContact O-CG 3.31Å; I191-L195 WeakPolarHBondContact O-CG 3.49Å; I191-L195 PolarHBondContact O-N 2.89Å; I191-M227 HydrophobicContact CB-SD 4.08Å; I191-M227 HydrophobicContact CD1-SD 3.75Å; I191-M227 HydrophobicContact CG1-CE 4.32Å; I191-M227 HydrophobicContact CG1-SD 3.56Å; I191-M227 VanDerWaalsContact CG1-SD 3.56Å; I191-M227 HydrophobicContact CG2-CE 4.38Å; I191-M227 HydrophobicContact CG2-SD 3.68Å; I191-M233 HydrophobicContact CD1-CE 3.57Å; I191-M233 HydrophobicContact CD1-SD 4.2Å
192N82.5Confident79.4Confident89 Ų8949.4 Ų49.448%0.47628%0.278SS..Hα-helixtrans-71.5-21.9-178.1-67.4-26.6000113.3S188 L190 G196 R234S188-N192 PolarHBondContact O-N 2.98Å; S188-N192 VanDerWaalsContact O-N 3.15Å; S188-N192 PolarHBondContact O-ND2 3.08Å; L190-N192 PolarHBondContact O-N 2.81Å; N192-G196 PolarHBondContact O-N 2.73Å; N192-R234 PolarHBondContact OD1-NH2 3.21Å
193A87.5Confident78.3Confident9 Ų951.4 Ų51.47%0.07429%0.293CS..Hα-helixtrans-81.5-38.817500000112.3S189 L190 I191 G196 E197 L336S189-A193 VanDerWaalsContact O-CB 3.23Å; S189-A193 WeakPolarHBondContact O-CB 3.14Å; S189-A193 PolarHBondContact O-N 3.2Å; L190-A193 PolarHBondContact O-N 3.43Å; L190-A193 VanDerWaalsContact O-N 3.15Å; I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 2.83Å; A193-G196 CarbonylContact O-C 3.6Å; A193-G196 PolarHBondContact O-N 2.93Å; A193-E197 PolarHBondContact O-N 3.46Å; A193-L336 HydrophobicContact CB-CD1 3.41Å; A193-L336 VanDerWaalsContact CB-CD1 3.41Å
194I85.5Confident77Confident4 Ų457.4 Ų57.42%0.02132%0.323CS..Hα-helixtrans-66.1-51.7174.6-67.8163.5000110.2L190 I191 G196 E197 V200 M227 I339L190-I194 HydrophobicContact CB-CD1 4.45Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.45Å; L190-I194 PolarHBondContact O-N 3.09Å; I191-I194 PolarHBondContact O-N 2.89Å; I194-G196 PolarHBondContact O-N 3.01Å; I194-E197 PolarHBondContact O-N 3.01Å; I194-E197 VanDerWaalsContact O-N 3.16Å; I194-V200 WeakPolarHBondContact O-CG2 3.34Å; I194-M227 HydrophobicContact CG2-CE 4.47Å; I194-I339 HydrophobicContact CD1-CD1 3.93Å; I194-I339 HydrophobicContact CD1-CG2 4.3Å; I194-I339 HydrophobicContact CG1-CD1 4.37Å
195L81.5Confident75.5Confident25 Ų2557 Ų5713%0.13132%0.32CS..THydrogen-bonded Turntrans-68.90.2175.7-61.4172.9000113.5I191 V200 V202 T215 F217 M227 R234I191-L195 HydrophobicContact CG2-CD1 3.73Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 VanDerWaalsContact O-CG 3.31Å; I191-L195 WeakPolarHBondContact O-CG 3.49Å; I191-L195 PolarHBondContact O-N 2.89Å; L195-V200 HydrophobicContact CD2-CG1 4.07Å; L195-V202 HydrophobicContact CD2-CG2 4.24Å; L195-T215 HydrophobicContact CD1-CG2 4.13Å; L195-T215 HydrophobicContact CD2-CG2 4.12Å; L195-F217 HydrophobicContact CD2-CB 4.43Å; L195-F217 HydrophobicContact CD2-CD1 3.63Å; L195-F217 HydrophobicContact CD2-CE1 4.12Å; L195-F217 HydrophobicContact CD2-CG 4.18Å; L195-M227 HydrophobicContact CD1-CE 4.35Å; L195-M227 HydrophobicContact CD1-SD 4.47Å; L195-M227 HydrophobicContact CD2-CE 4.21Å; L195-M227 HydrophobicContact CG-CE 4.09Å; L195-R234 VanDerWaalsContact CD1-NH2 3.3Å
196G77.4Confident73.3Confident40 Ų4066.4 Ų66.441%0.41236%0.363SS..THydrogen-bonded Turntrans-120.317.1176.200000113.3N192 A193 I194 K333N192-G196 PolarHBondContact O-N 2.73Å; A193-G196 CarbonylContact O-C 3.6Å; A193-G196 PolarHBondContact O-N 2.93Å; I194-G196 PolarHBondContact O-N 3.01Å; G196-K333 PolarHBondContact O-NZ 3.36Å
197E70.5Confident71.2Confident38 Ų3869.4 Ų69.418%0.17839%0.394CS..SBendtrans-80.8143.5163.1-73.1-63.111800110.1A193 I194 R199 V200 K333A193-E197 PolarHBondContact O-N 3.46Å; I194-E197 PolarHBondContact O-N 3.01Å; I194-E197 VanDerWaalsContact O-N 3.16Å; E197-R199 PolarHBondContact O-N 3.42Å; E197-V200 HydrophobicContact CB-CG2 4.39Å; E197-V200 PolarHBondContact O-N 3.22Å; E197-V200 VanDerWaalsContact O-N 3.13Å; E197-K333 WeakPolarHBondContact OE1-CD 2.97Å; E197-K333 WeakPolarHBondContact OE1-CE 3.36Å; E197-K333 IonicContact OE1-NZ 3.5Å; E197-K333 PolarHBondContact OE1-NZ 3.22Å
198D59.7Low68.9Low171 Ų17172.5 Ų72.591%0.91442%0.416SS*.THydrogen-bonded Turntrans-61.7-5.3178.5-52.1-51000113.8
199R61.3Low66.9Low120 Ų12074.1 Ų74.145%0.45342%0.424SS..THydrogen-bonded Turntrans-100.6-4.6-174.3-67.4173171.5-120.7-16.6113.6E197 E220E197-R199 PolarHBondContact O-N 3.42Å; R199-E220 HydrophobicContact CB-CG 3.78Å; R199-E220 VanDerWaalsContact CD-CD 3.45Å; R199-E220 WeakPolarHBondContact CD-OE1 3.45Å; R199-E220 WeakPolarHBondContact CD-OE2 3.42Å; R199-E220 HydrophobicContact CG-CG 3.96Å; R199-E220 WeakPolarHBondContact CG-OE1 3.34Å; R199-E220 IonicContact CZ-OE1 3.88Å; R199-E220 IonicContact CZ-OE2 2.95Å; R199-E220 IonicContact NE-OE1 3.27Å; R199-E220 PolarHBondContact NE-OE1 2.93Å; R199-E220 IonicContact NE-OE2 3.74Å; R199-E220 IonicContact NH1-OE1 2.88Å; R199-E220 PolarHBondContact NH1-OE1 3.17Å; R199-E220 IonicContact NH1-OE2 2.7Å; R199-E220 PolarHBondContact NH1-OE2 3.42Å; R199-E220 IonicContact NH2-OE1 2.73Å; R199-E220 PolarHBondContact NH2-OE1 3.06Å
200V63.4Low64.9Low20 Ų2079 Ų7912%0.12143%0.433CS..  trans-117.6107.3-172.8172.30000109.4I194 L195 E197 F217I194-V200 WeakPolarHBondContact O-CG2 3.34Å; L195-V200 HydrophobicContact CD2-CG1 4.07Å; E197-V200 HydrophobicContact CB-CG2 4.39Å; E197-V200 PolarHBondContact O-N 3.22Å; E197-V200 VanDerWaalsContact O-N 3.13Å; V200-F217 HydrophobicContact CB-CD2 4.5Å; V200-F217 HydrophobicContact CG1-CB 3.76Å; V200-F217 HydrophobicContact CG1-CD1 4.43Å; V200-F217 HydrophobicContact CG1-CD2 3.54Å; V200-F217 HydrophobicContact CG1-CE2 4.21Å; V200-F217 HydrophobicContact CG1-CG 3.66Å; V200-F217 HydrophobicContact CG2-CD2 4.39Å; V200-F217 HydrophobicContact CG2-CE2 4.44Å
201I62.6Low63Low122 Ų12282.9 Ų82.963%0.62645%0.453SS*.EExtended strand (participates in β ladder)trans-92.3107.9176.4-57.1178.3000107.9F217 V218I201-F217 CarbonylContact O-C 3.53Å; I201-F217 WeakPolarHBondContact O-CA 3.41Å; I201-F217 WeakPolarHBondContact O-CB 3.46Å; I201-V218 PolarHBondContact N-O 3.14Å; I201-V218 PolarHBondContact O-N 3.48Å
202V67.2Low61.2Low64 Ų6487.5 Ų87.539%0.38849%0.492SS..EExtended strand (participates in β ladder)trans-68.1135.7171.2-177.80000108.9L195 T215L195-V202 HydrophobicContact CD2-CG2 4.24Å; V202-T215 HydrophobicContact CG1-CG2 4.14Å
203S62.8Low60.3Low47 Ų4786.6 Ų86.633%0.32949%0.486SS..  trans-84.7125.2177.9-172.60000110.9I205 K216S203-I205 PolarHBondContact O-N 2.97Å; S203-I205 VanDerWaalsContact O-N 3.17Å; S203-I205 WeakPolarHBondContact OG-CG1 3.29Å; S203-K216 PolarHBondContact N-O 2.86Å
204D54.8Low59.8Low161 Ų16187.9 Ų87.986%0.86149%0.492SS*.  trans-76.211.6177.7-71.3-36000113.5E206D204-E206 VanDerWaalsContact C-N 3.26Å; D204-E206 PolarHBondContact O-N 3Å
205I51.1Low59.5Low129 Ų12988.6 Ų88.666%0.66250%0.496SS*.  trans-78.873.6-178.7-54.2174.3000110.2S203 G207S203-I205 PolarHBondContact O-N 2.97Å; S203-I205 VanDerWaalsContact O-N 3.17Å; S203-I205 WeakPolarHBondContact OG-CG1 3.29Å; I205-G207 PolarHBondContact O-N 3.32Å
206E45Very low59.6Low197 Ų19790.8 Ų90.892%0.92151%0.505SS*.  trans-70.4115.4160.3-67-169.3143.600109.3D204D204-E206 VanDerWaalsContact C-N 3.26Å; D204-E206 PolarHBondContact O-N 3Å
207G45.3Very low59.8Low76 Ų7689 Ų8978%0.78449%0.486SS*.  trans153.1-13162.900000119.4I205 T209I205-G207 PolarHBondContact O-N 3.32Å; G207-T209 PolarHBondContact O-N 2.79Å
208T39.4Very low60.3Low98 Ų9889.3 Ų89.360%0.60149%0.49SS*.SBendtrans-89.5110.8175.352.30000111.1
209T42.4Very low61.2Low81 Ų8181.8 Ų81.850%0.49745%0.453SS..SBendtrans69.4-171.4156.579.50000117.6E169 G207 D211E169-T209 HydrophobicContact CB-CG2 4.4Å; E169-T209 HydrophobicContact CG-CG2 3.86Å; E169-T209 WeakPolarHBondContact OE1-CB 3.35Å; E169-T209 WeakPolarHBondContact OE1-CG2 3.47Å; E169-T209 WeakPolarHBondContact OE2-CB 3.46Å; E169-T209 WeakPolarHBondContact OE2-CG2 3.41Å; E169-T209 PolarHBondContact OE2-OG1 3.33Å; G207-T209 PolarHBondContact O-N 2.79Å; T209-D211 PolarHBondContact O-N 3.49Å
210R45.6Very low61.7Low167 Ų16781.3 Ų81.363%0.6346%0.456SS*.SBendtrans-77.9-22.5-141.9-166.5168.8174.4171.2-7.9114.7
211D50.7Low62.2Low80 Ų8085.9 Ų85.943%0.42848%0.479SS..  trans-105.373-168.4-66.4-37.6000112.6T209 I213 D214 R257T209-D211 PolarHBondContact O-N 3.49Å; D211-I213 PolarHBondContact O-N 2.89Å; D211-D214 PolarHBondContact O-N 3.24Å; D211-R257 VanDerWaalsContact CG-NH2 3.3Å; D211-R257 IonicContact OD2-CZ 2.91Å; D211-R257 IonicContact OD2-NE 3.57Å; D211-R257 IonicContact OD2-NH2 2.77Å; D211-R257 PolarHBondContact OD2-NH2 3.38Å
212A49.1Very low63Low99 Ų9982.4 Ų82.482%0.81847%0.474SS*.THydrogen-bonded Turntrans-69.541.3176.200000114.1
213I63.3Low63.8Low71 Ų7182.2 Ų82.236%0.36447%0.468SS..THydrogen-bonded Turntrans-130-28.9-171.4-53.6-176000111D211 D229 T230 A231D211-I213 PolarHBondContact O-N 2.89Å; I213-D229 HydrophobicContact CG2-CB 4.48Å; I213-D229 WeakPolarHBondContact CG2-OD1 3.48Å; I213-T230 PolarHBondContact O-N 3.23Å; I213-T230 PolarHBondContact O-OG1 3.14Å; I213-A231 HydrophobicContact CB-CB 4.14Å; I213-A231 HydrophobicContact CG2-CB 3.75Å; I213-A231 PolarHBondContact O-N 2.89Å
214D76.8Confident65.1Low36 Ų3684.8 Ų84.819%0.19348%0.475CS..  trans-78172.1-179.2-59-25.7000111.6D211 T226 M227 I228 D229 R257D211-D214 PolarHBondContact O-N 3.24Å; D214-T226 HydrophobicContact CB-CG2 3.99Å; D214-M227 CarbonylContact C-O 3.6Å; D214-M227 VanDerWaalsContact CA-O 3.27Å; D214-M227 WeakPolarHBondContact CA-O 3.15Å; D214-M227 WeakPolarHBondContact CB-O 3.22Å; D214-I228 WeakPolarHBondContact OD1-CA 3.48Å; D214-D229 PolarHBondContact OD1-N 3.04Å; D214-R257 VanDerWaalsContact CG-NH1 3.32Å; D214-R257 IonicContact OD1-NH1 3.77Å; D214-R257 PolarHBondContact OD1-NH1 3.06Å; D214-R257 IonicContact OD2-CZ 2.71Å; D214-R257 VanDerWaalsContact OD2-CZ 3.25Å; D214-R257 IonicContact OD2-NH1 2.68Å; D214-R257 PolarHBondContact OD2-NH1 3.45Å; D214-R257 IonicContact OD2-NH2 3.82Å; D214-R257 PolarHBondContact OD2-NH2 3.29Å
215T79.9Confident66.7Low19 Ų1977.2 Ų77.212%0.11744%0.435CS..EExtended strand (participates in β ladder)trans-140.2116.2176.3-63.50000110.8L195 V202 M227 T230L195-T215 HydrophobicContact CD1-CG2 4.13Å; L195-T215 HydrophobicContact CD2-CG2 4.12Å; V202-T215 HydrophobicContact CG1-CG2 4.14Å; T215-M227 PolarHBondContact N-O 2.83Å; T215-M227 PolarHBondContact O-N 3.27Å; T215-T230 WeakPolarHBondContact OG1-CG2 3.35Å; T215-T230 PolarHBondContact OG1-OG1 3.09Å
216K82.8Confident68.5Low70 Ų7071.2 Ų71.230%0.30440%0.404SS..EExtended strand (participates in β ladder)trans-83.7137.2174.4-57.2-147.2172.6-166.70111.2D172 S203 F225 T226D172-K216 IonicContact OD1-NZ 3.42Å; D172-K216 PolarHBondContact OD1-NZ 3Å; D172-K216 IonicContact OD2-NZ 2.92Å; D172-K216 PolarHBondContact OD2-NZ 2.94Å; S203-K216 PolarHBondContact N-O 2.86Å; K216-F225 WeakPolarHBondContact CA-O 3.35Å; K216-T226 WeakPolarHBondContact CD-OG1 3.41Å; K216-T226 VanDerWaalsContact CE-OG1 3.24Å; K216-T226 WeakPolarHBondContact CE-OG1 3.35Å; K216-T226 WeakPolarHBondContact CG-OG1 3.39Å
217F82.1Confident70.6Confident4 Ų461.8 Ų61.82%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-148.5159.9171.367.7-95000111.5F177 L195 V200 I201 F225 M227F177-F217 AromaticContact CE1-CE1 3.54Å; F177-F217 HydrophobicContact CE1-CE1 3.54Å; F177-F217 AromaticContact CE1-CZ 3.59Å; F177-F217 HydrophobicContact CE1-CZ 3.59Å; F177-F217 AromaticContact CZ-CE1 3.66Å; F177-F217 HydrophobicContact CZ-CE1 3.66Å; F177-F217 AromaticContact CZ-CZ 3.67Å; F177-F217 HydrophobicContact CZ-CZ 3.67Å; L195-F217 HydrophobicContact CD2-CB 4.43Å; L195-F217 HydrophobicContact CD2-CD1 3.63Å; L195-F217 HydrophobicContact CD2-CE1 4.12Å; L195-F217 HydrophobicContact CD2-CG 4.18Å; V200-F217 HydrophobicContact CB-CD2 4.5Å; V200-F217 HydrophobicContact CG1-CB 3.76Å; V200-F217 HydrophobicContact CG1-CD1 4.43Å; V200-F217 HydrophobicContact CG1-CD2 3.54Å; V200-F217 HydrophobicContact CG1-CE2 4.21Å; V200-F217 HydrophobicContact CG1-CG 3.66Å; V200-F217 HydrophobicContact CG2-CD2 4.39Å; V200-F217 HydrophobicContact CG2-CE2 4.44Å; I201-F217 CarbonylContact O-C 3.53Å; I201-F217 WeakPolarHBondContact O-CA 3.41Å; I201-F217 WeakPolarHBondContact O-CB 3.46Å; F217-F225 HydrophobicContact CD1-CB 4.37Å; F217-F225 HydrophobicContact CD2-CB 4.17Å; F217-F225 HydrophobicContact CD2-CD2 4.16Å; F217-F225 HydrophobicContact CE1-CB 3.93Å; F217-F225 HydrophobicContact CE2-CB 3.71Å; F217-F225 AromaticContact CE2-CD2 3.66Å; F217-F225 HydrophobicContact CE2-CD2 3.66Å; F217-F225 AromaticContact CE2-CG 3.85Å; F217-F225 HydrophobicContact CE2-CG 3.85Å; F217-F225 HydrophobicContact CG-CB 4.49Å; F217-F225 HydrophobicContact CZ-CB 3.58Å; F217-F225 HydrophobicContact CZ-CD2 4.29Å; F217-F225 HydrophobicContact CZ-CG 4Å; F217-F225 PolarHBondContact N-O 3.25Å; F217-F225 PolarHBondContact O-N 3.14Å; F217-M227 HydrophobicContact CE1-CB 4.28Å; F217-M227 HydrophobicContact CE1-CE 4.13Å
218V81.8Confident72.6Confident43 Ų4358.4 Ų58.426%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-108.2134.7177.3-167.10000109.5I201 E224I201-V218 PolarHBondContact N-O 3.14Å; I201-V218 PolarHBondContact O-N 3.48Å; V218-E224 HydrophobicContact CG2-CG 4.38Å
219G77.2Confident74.3Confident13 Ų1355.1 Ų55.113%0.13430%0.303CS..  trans-88.4174.9173.400000113.4N221 G222 Q223G219-N221 PolarHBondContact O-N 3.15Å; G219-N221 VanDerWaalsContact O-N 3.15Å; G219-G222 PolarHBondContact O-N 3.43Å; G219-Q223 PolarHBondContact N-O 2.99Å
220E72.6Confident75.2Confident111 Ų11151.3 Ų51.352%0.51928%0.28SS..THydrogen-bonded Turntrans-58.5-31.5-174.1-64.9179.8103.100114.4R199 G222R199-E220 HydrophobicContact CB-CG 3.78Å; R199-E220 VanDerWaalsContact CD-CD 3.45Å; R199-E220 WeakPolarHBondContact CD-OE1 3.45Å; R199-E220 WeakPolarHBondContact CD-OE2 3.42Å; R199-E220 HydrophobicContact CG-CG 3.96Å; R199-E220 WeakPolarHBondContact CG-OE1 3.34Å; R199-E220 IonicContact CZ-OE1 3.88Å; R199-E220 IonicContact CZ-OE2 2.95Å; R199-E220 IonicContact NE-OE1 3.27Å; R199-E220 PolarHBondContact NE-OE1 2.93Å; R199-E220 IonicContact NE-OE2 3.74Å; R199-E220 IonicContact NH1-OE1 2.88Å; R199-E220 PolarHBondContact NH1-OE1 3.17Å; R199-E220 IonicContact NH1-OE2 2.7Å; R199-E220 PolarHBondContact NH1-OE2 3.42Å; R199-E220 IonicContact NH2-OE1 2.73Å; R199-E220 PolarHBondContact NH2-OE1 3.06Å; E220-G222 PolarHBondContact O-N 2.92Å
221N74.3Confident75.4Confident115 Ų11544.5 Ų44.562%0.61526%0.259SS*.THydrogen-bonded Turntrans-78.5-3.8179.8-64.4-10.6000113.3G219 Q223 E344G219-N221 PolarHBondContact O-N 3.15Å; G219-N221 VanDerWaalsContact O-N 3.15Å; N221-Q223 VanDerWaalsContact C-N 3.27Å; N221-E344 PolarHBondContact ND2-OE1 2.93Å; N221-E344 PolarHBondContact ND2-OE2 3.14Å; N221-E344 VanDerWaalsContact ND2-OE2 3.09Å
222G79.5Confident75.5Confident49 Ų4941.5 Ų41.551%0.50525%0.247SC..SBendtrans84.4-5.2-169.100000114.2G219 E220 E224G219-G222 PolarHBondContact O-N 3.43Å; E220-G222 PolarHBondContact O-N 2.92Å; G222-E224 PolarHBondContact O-N 3.34Å
223Q84.5Confident75.8Confident60 Ų6038.1 Ų38.128%0.2821%0.214SC..  trans-60.4127.5172.9179.858.563.100110.5I175 G219 N221 F225I175-Q223 HydrophobicContact CD1-CG 3.8Å; I175-Q223 HydrophobicContact CG1-CG 4.46Å; G219-Q223 PolarHBondContact N-O 2.99Å; N221-Q223 VanDerWaalsContact C-N 3.27Å; Q223-F225 HydrophobicContact CB-CE2 3.86Å; Q223-F225 HydrophobicContact CB-CZ 4.11Å; Q223-F225 HydrophobicContact CG-CD2 4.31Å; Q223-F225 HydrophobicContact CG-CE1 4.16Å; Q223-F225 HydrophobicContact CG-CE2 3.68Å; Q223-F225 HydrophobicContact CG-CZ 3.61Å; Q223-F225 VanDerWaalsContact O-CD2 3.31Å; Q223-F225 WeakPolarHBondContact O-CD2 3.1Å; Q223-F225 WeakPolarHBondContact O-CE2 3.44Å
224E88.2Confident75.2Confident101 Ų10140.1 Ų40.147%0.47222%0.217SC..EExtended strand (participates in β ladder)trans-82.8142.8172.7-58.8-161.2174.800111S174 I175 V218 G222S174-E224 CarbonylContact C-O 3.52Å; S174-E224 VanDerWaalsContact CA-O 3.3Å; S174-E224 WeakPolarHBondContact CA-O 3.37Å; I175-E224 PolarHBondContact N-O 3.02Å; V218-E224 HydrophobicContact CG2-CG 4.38Å; G222-E224 PolarHBondContact O-N 3.34Å
225F89.2Confident73.8Confident2 Ų247.1 Ų47.11%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-132.3138.5176.5-59.9-94.7000110.2I175 F177 K216 F217 Q223 P340 I343I175-F225 HydrophobicContact CB-CD1 3.97Å; I175-F225 HydrophobicContact CB-CE1 4.34Å; I175-F225 HydrophobicContact CD1-CD1 4.47Å; I175-F225 HydrophobicContact CD1-CE1 4.01Å; I175-F225 WeakPolarHBondContact O-CA 3.16Å; F177-F225 HydrophobicContact CD1-CB 4.37Å; F177-F225 HydrophobicContact CE1-CB 3.97Å; K216-F225 WeakPolarHBondContact CA-O 3.35Å; F217-F225 HydrophobicContact CD1-CB 4.37Å; F217-F225 HydrophobicContact CD2-CB 4.17Å; F217-F225 HydrophobicContact CD2-CD2 4.16Å; F217-F225 HydrophobicContact CE1-CB 3.93Å; F217-F225 HydrophobicContact CE2-CB 3.71Å; F217-F225 AromaticContact CE2-CD2 3.66Å; F217-F225 HydrophobicContact CE2-CD2 3.66Å; F217-F225 AromaticContact CE2-CG 3.85Å; F217-F225 HydrophobicContact CE2-CG 3.85Å; F217-F225 HydrophobicContact CG-CB 4.49Å; F217-F225 HydrophobicContact CZ-CB 3.58Å; F217-F225 HydrophobicContact CZ-CD2 4.29Å; F217-F225 HydrophobicContact CZ-CG 4Å; F217-F225 PolarHBondContact N-O 3.25Å; F217-F225 PolarHBondContact O-N 3.14Å; Q223-F225 HydrophobicContact CB-CE2 3.86Å; Q223-F225 HydrophobicContact CB-CZ 4.11Å; Q223-F225 HydrophobicContact CG-CD2 4.31Å; Q223-F225 HydrophobicContact CG-CE1 4.16Å; Q223-F225 HydrophobicContact CG-CE2 3.68Å; Q223-F225 HydrophobicContact CG-CZ 3.61Å; Q223-F225 VanDerWaalsContact O-CD2 3.31Å; Q223-F225 WeakPolarHBondContact O-CD2 3.1Å; Q223-F225 WeakPolarHBondContact O-CE2 3.44Å; F225-P340 HydrophobicContact CZ-CB 4.38Å; F225-I343 HydrophobicContact CD1-CG2 3.96Å; F225-I343 HydrophobicContact CE1-CB 4.13Å; F225-I343 HydrophobicContact CE1-CG2 3.76Å
226T89.3Confident72.1Confident3 Ų354.7 Ų54.72%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-112110.7171-70.30000109.6S174 I175 K176 F177 D214 K216 I228S174-T226 WeakPolarHBondContact OG-CB 3.38Å; S174-T226 PolarHBondContact OG-OG1 3.11Å; I175-T226 PolarHBondContact O-N 3.39Å; K176-T226 WeakPolarHBondContact CA-O 3.14Å; K176-T226 HydrophobicContact CG-CG2 4.36Å; F177-T226 PolarHBondContact N-O 3.26Å; D214-T226 HydrophobicContact CB-CG2 3.99Å; K216-T226 WeakPolarHBondContact CD-OG1 3.41Å; K216-T226 VanDerWaalsContact CE-OG1 3.24Å; K216-T226 WeakPolarHBondContact CE-OG1 3.35Å; K216-T226 WeakPolarHBondContact CG-OG1 3.39Å; T226-I228 HydrophobicContact CG2-CD1 4.12Å; T226-I228 PolarHBondContact O-N 2.85Å
227M89.4Confident70.3Confident0 Ų053.9 Ų53.90%028%0.284CS..EExtended strand (participates in β ladder)trans-80.4117173.7-168.1-171.7-70.700110F177 L179 I191 I194 L195 D214 T215 F217 T230F177-M227 HydrophobicContact CE1-CB 3.94Å; F177-M227 HydrophobicContact CE1-CG 4.33Å; F177-M227 HydrophobicContact CE2-CE 4.06Å; F177-M227 HydrophobicContact CE2-CG 4.12Å; F177-M227 HydrophobicContact CZ-CB 3.95Å; F177-M227 HydrophobicContact CZ-CE 3.63Å; F177-M227 HydrophobicContact CZ-CG 3.9Å; F177-M227 CarbonylContact O-C 3.47Å; F177-M227 WeakPolarHBondContact O-CA 3.29Å; L179-M227 HydrophobicContact CD1-CE 4.41Å; L179-M227 HydrophobicContact CD1-CG 4.34Å; L179-M227 HydrophobicContact CD1-SD 4.24Å; I191-M227 HydrophobicContact CB-SD 4.08Å; I191-M227 HydrophobicContact CD1-SD 3.75Å; I191-M227 HydrophobicContact CG1-CE 4.32Å; I191-M227 HydrophobicContact CG1-SD 3.56Å; I191-M227 VanDerWaalsContact CG1-SD 3.56Å; I191-M227 HydrophobicContact CG2-CE 4.38Å; I191-M227 HydrophobicContact CG2-SD 3.68Å; I194-M227 HydrophobicContact CG2-CE 4.47Å; L195-M227 HydrophobicContact CD1-CE 4.35Å; L195-M227 HydrophobicContact CD1-SD 4.47Å; L195-M227 HydrophobicContact CD2-CE 4.21Å; L195-M227 HydrophobicContact CG-CE 4.09Å; D214-M227 CarbonylContact C-O 3.6Å; D214-M227 VanDerWaalsContact CA-O 3.27Å; D214-M227 WeakPolarHBondContact CA-O 3.15Å; D214-M227 WeakPolarHBondContact CB-O 3.22Å; T215-M227 PolarHBondContact N-O 2.83Å; T215-M227 PolarHBondContact O-N 3.27Å; F217-M227 HydrophobicContact CE1-CB 4.28Å; F217-M227 HydrophobicContact CE1-CE 4.13Å; M227-T230 HydrophobicContact CB-CG2 3.82Å; M227-T230 HydrophobicContact CG-CG2 3.69Å; M227-T230 WeakPolarHBondContact O-CG2 3.31Å; M227-T230 HydrophobicContact SD-CG2 3.6Å
228I87.1Confident68.7Low4 Ų462.2 Ų62.22%0.02132%0.32CS..THydrogen-bonded Turntrans-77.5135.3-176-62.7-61.6000111.3K176 F177 D214 T226 A254 R257K176-I228 HydrophobicContact CB-CD1 4.26Å; K176-I228 HydrophobicContact CB-CG1 4.31Å; K176-I228 HydrophobicContact CG-CD1 4.37Å; F177-I228 WeakPolarHBondContact O-CB 3.14Å; F177-I228 PolarHBondContact O-N 3.32Å; D214-I228 WeakPolarHBondContact OD1-CA 3.48Å; T226-I228 HydrophobicContact CG2-CD1 4.12Å; T226-I228 PolarHBondContact O-N 2.85Å; I228-A254 HydrophobicContact CG2-CB 4.17Å; I228-R257 HydrophobicContact CD1-CB 4.09Å; I228-R257 WeakPolarHBondContact CD1-O 3.37Å; I228-R257 HydrophobicContact CG1-CB 4.41Å; I228-R257 HydrophobicContact CG2-CB 4.01Å
229D74.7Confident67.2Low29 Ų2965.4 Ų65.416%0.15534%0.34CS..THydrogen-bonded Turntrans55.649.5172.4-177.922.7000115I213 D214 G232 R250I213-D229 HydrophobicContact CG2-CB 4.48Å; I213-D229 WeakPolarHBondContact CG2-OD1 3.48Å; D214-D229 PolarHBondContact OD1-N 3.04Å; D229-G232 WeakPolarHBondContact OD1-CA 3.37Å; D229-G232 PolarHBondContact OD1-N 3.41Å; D229-R250 PolarHBondContact O-NH2 3.25Å; D229-R250 IonicContact OD1-CZ 2.61Å; D229-R250 IonicContact OD1-NE 2.78Å; D229-R250 IonicContact OD1-NH2 2.65Å; D229-R250 PolarHBondContact OD1-NH2 2.93Å; D229-R250 IonicContact OD2-CZ 2.72Å; D229-R250 IonicContact OD2-NE 2.68Å; D229-R250 PolarHBondContact OD2-NE 3.07Å; D229-R250 IonicContact OD2-NH2 2.84Å; D229-R250 PolarHBondContact OD2-NH2 3.04Å
230T61.6Low66.1Low2 Ų270.1 Ų70.11%0.01235%0.354CS..THydrogen-bonded Turntrans-76.8-38.9177.291.30000112.4I213 T215 M227 G232 M233 R234I213-T230 PolarHBondContact O-N 3.23Å; I213-T230 PolarHBondContact O-OG1 3.14Å; T215-T230 WeakPolarHBondContact OG1-CG2 3.35Å; T215-T230 PolarHBondContact OG1-OG1 3.09Å; M227-T230 HydrophobicContact CB-CG2 3.82Å; M227-T230 HydrophobicContact CG-CG2 3.69Å; M227-T230 WeakPolarHBondContact O-CG2 3.31Å; M227-T230 HydrophobicContact SD-CG2 3.6Å; T230-G232 PolarHBondContact O-N 2.91Å; T230-M233 CarbonylContact O-C 3.56Å; T230-M233 PolarHBondContact O-N 2.85Å; T230-M233 VanDerWaalsContact O-N 3.15Å; T230-R234 WeakPolarHBondContact O-CD 3.41Å; T230-R234 VanDerWaalsContact O-CG 3.29Å; T230-R234 WeakPolarHBondContact O-CG 3.27Å; T230-R234 PolarHBondContact O-N 2.95Å; T230-R234 PolarHBondContact OG1-NH1 2.8Å; T230-R234 VanDerWaalsContact OG1-NH1 3.1Å
231A49.8Very low65.2Low24 Ų2468.6 Ų68.620%0.19835%0.347CS..THydrogen-bonded Turntrans-72.4-30.6-173.800000112.4I213 M233 R234 K235I213-A231 HydrophobicContact CB-CB 4.14Å; I213-A231 HydrophobicContact CG2-CB 3.75Å; I213-A231 PolarHBondContact O-N 2.89Å; A231-M233 VanDerWaalsContact C-N 3.26Å; A231-M233 PolarHBondContact O-N 3.47Å; A231-R234 CarbonylContact O-C 3.6Å; A231-R234 PolarHBondContact O-N 3.16Å; A231-K235 WeakPolarHBondContact O-CB 3.28Å; A231-K235 PolarHBondContact O-N 3.47Å
232G53.1Low64.2Low17 Ų1769.9 Ų69.918%0.17535%0.354CS..Hα-helixtrans-62.6-34.8170.800000112.1D229 T230 R234 R250D229-G232 WeakPolarHBondContact OD1-CA 3.37Å; D229-G232 PolarHBondContact OD1-N 3.41Å; T230-G232 PolarHBondContact O-N 2.91Å; G232-R234 PolarHBondContact O-N 3.35Å; G232-R250 VanDerWaalsContact CA-NH2 3.25Å; G232-R250 PolarHBondContact O-NH1 2.85Å
233M55.7Low63.3Low27 Ų2769.3 Ų69.313%0.13334%0.34CS..Hα-helixtrans-80.20.4173.9-78.6-154.9-98.500113.9L179 K187 S188 I191 T230 A231L179-M233 HydrophobicContact CB-CE 4.37Å; L179-M233 WeakPolarHBondContact O-CE 3.15Å; K187-M233 HydrophobicContact CB-CE 4.28Å; K187-M233 HydrophobicContact CB-SD 3.5Å; K187-M233 VanDerWaalsContact CB-SD 3.5Å; K187-M233 HydrophobicContact CD-SD 4.19Å; K187-M233 HydrophobicContact CG-SD 4.45Å; S188-M233 PolarHBondContact OG-O 2.95Å; S188-M233 VanDerWaalsContact OG-O 3.07Å; I191-M233 HydrophobicContact CD1-CE 3.57Å; I191-M233 HydrophobicContact CD1-SD 4.2Å; T230-M233 CarbonylContact O-C 3.56Å; T230-M233 PolarHBondContact O-N 2.85Å; T230-M233 VanDerWaalsContact O-N 3.15Å; A231-M233 VanDerWaalsContact C-N 3.26Å; A231-M233 PolarHBondContact O-N 3.47Å
234R50.3Low62.3Low113 Ų11372.9 Ų72.943%0.42636%0.357SS..Hα-helixtrans-118-23.6-179.8-72.4167.4159.1170.5-12.3114.9N192 L195 T230 A231 G232N192-R234 PolarHBondContact OD1-NH2 3.21Å; L195-R234 VanDerWaalsContact CD1-NH2 3.3Å; T230-R234 WeakPolarHBondContact O-CD 3.41Å; T230-R234 VanDerWaalsContact O-CG 3.29Å; T230-R234 WeakPolarHBondContact O-CG 3.27Å; T230-R234 PolarHBondContact O-N 2.95Å; T230-R234 PolarHBondContact OG1-NH1 2.8Å; T230-R234 VanDerWaalsContact OG1-NH1 3.1Å; A231-R234 CarbonylContact O-C 3.6Å; A231-R234 PolarHBondContact O-N 3.16Å; G232-R234 PolarHBondContact O-N 3.35Å
235K46.5Very low61.3Low184 Ų18471.1 Ų71.180%0.835%0.348SS*.Hα-helixtrans-130.7-0.4-163.3-89.9179.3176.7170.40119A231A231-K235 WeakPolarHBondContact O-CB 3.28Å; A231-K235 PolarHBondContact O-N 3.47Å
236R45.7Very low60.3Low178 Ų17872.9 Ų72.967%0.67236%0.355SS*.  trans-121.5148.5176.4-67.4-171.8178.7-167.92.6112.4D81D81-R236 IonicContact OD1-CZ 2.97Å; D81-R236 IonicContact OD1-NH1 3.25Å; D81-R236 PolarHBondContact OD1-NH1 2.63Å; D81-R236 IonicContact OD1-NH2 3.42Å
237G45Very low59.3Low52 Ų5273.6 Ų73.654%0.53636%0.36SS..  trans-92.5168.3-162.800000115.9V239G237-V239 PolarHBondContact O-N 2.86Å
238K47.5Very low58.5Low179 Ų17974.3 Ų74.378%0.77836%0.364SS*.THydrogen-bonded Turntrans-52.1-1-174.9-62.1-173.9175.3-1730118.1
239V50.5Low57.7Low111 Ų11174.2 Ų74.267%0.67336%0.364SS*.THydrogen-bonded Turntrans-73.7-37.1-172.3-177.10000111.7G237G237-V239 PolarHBondContact O-N 2.86Å
240Y53.2Low57.8Low112 Ų11275 Ų7544%0.43936%0.364SS..SBendtrans-102.7-29.7-172.1-57.4-73000114.4N242 T243Y240-N242 PolarHBondContact O-N 3.38Å; Y240-N242 VanDerWaalsContact O-N 3.11Å; Y240-T243 PolarHBondContact O-N 3.14Å; Y240-T243 VanDerWaalsContact O-N 3.11Å; Y240-T243 PolarHBondContact O-OG1 3.3Å
241E53.6Low58.7Low79 Ų7975.3 Ų75.337%0.36937%0.367SS..THydrogen-bonded Turntrans-60.8-21.8-179.6-67.1-166.4129.700114T243E241-T243 PolarHBondContact O-N 3.28Å
242N53.2Low60.1Low141 Ų14174.8 Ų74.875%0.75436%0.361SS*.THydrogen-bonded Turntrans-67.6-16.1177.3-74.7-7.8000113.5Y240Y240-N242 PolarHBondContact O-N 3.38Å; Y240-N242 VanDerWaalsContact O-N 3.11Å
243T61.8Low61.3Low37 Ų3776.6 Ų76.623%0.22736%0.363CS..SBendtrans-87.5116.3173.161.20000109.7Y240 E241 K245 Y246 S247Y240-T243 PolarHBondContact O-N 3.14Å; Y240-T243 VanDerWaalsContact O-N 3.11Å; Y240-T243 PolarHBondContact O-OG1 3.3Å; E241-T243 PolarHBondContact O-N 3.28Å; T243-K245 PolarHBondContact O-N 3.11Å; T243-Y246 PolarHBondContact O-N 3.11Å; T243-Y246 VanDerWaalsContact O-N 3.12Å; T243-Y246 WeakPolarHBondContact OG1-CB 3.33Å; T243-S247 PolarHBondContact O-N 3.28Å
244E64.1Low62.7Low135 Ų13575.7 Ų75.763%0.63136%0.359SS*.Hα-helixtrans-55.5-39.2-178.3-66.2-171.9155.800111.8S247 V248 Q274E244-S247 WeakPolarHBondContact O-CB 3.46Å; E244-S247 PolarHBondContact O-N 3.12Å; E244-V248 WeakPolarHBondContact O-CG2 3.46Å; E244-V248 PolarHBondContact O-N 3.26Å; E244-V248 VanDerWaalsContact O-N 3.16Å; E244-Q274 PolarHBondContact O-NE2 3.44Å
245K65.8Low64.5Low65 Ų6570.4 Ų70.428%0.28334%0.34SS..Hα-helixtrans-63.4-42.5179.1-64.8-176.5173.4-178.60112I42 G60 I61 D62 T243 S247 V248 M249I42-K245 HydrophobicContact CD1-CD 3.76Å; I42-K245 HydrophobicContact CD1-CG 4.43Å; G60-K245 PolarHBondContact O-NZ 2.75Å; I61-K245 HydrophobicContact CB-CD 4.42Å; I61-K245 HydrophobicContact CG2-CB 4.03Å; I61-K245 HydrophobicContact CG2-CD 3.93Å; D62-K245 HydrophobicContact CB-CD 4.44Å; D62-K245 VanDerWaalsContact CB-NZ 3.31Å; D62-K245 VanDerWaalsContact N-NZ 3.11Å; T243-K245 PolarHBondContact O-N 3.11Å; K245-S247 VanDerWaalsContact C-N 3.3Å; K245-S247 PolarHBondContact O-N 3.2Å; K245-V248 PolarHBondContact O-N 3.32Å; K245-V248 VanDerWaalsContact O-N 3.07Å; K245-M249 VanDerWaalsContact O-CG 3.29Å; K245-M249 WeakPolarHBondContact O-CG 3.23Å; K245-M249 PolarHBondContact O-N 3.02Å
246Y67.9Low66.1Low38 Ų3863.7 Ų63.715%0.14931%0.312CS..Hα-helixtrans-62.2-37.9176.4-170.1-98.7000112.5I78 E82 T243 V248 M249 R250I78-Y246 HydrophobicContact CG1-CD2 4.41Å; E82-Y246 HydrophobicContact CG-CE2 4.46Å; E82-Y246 WeakPolarHBondContact OE1-CE2 3.32Å; E82-Y246 VanDerWaalsContact OE1-CZ 3.3Å; E82-Y246 PolarHBondContact OE1-OH 3.37Å; T243-Y246 PolarHBondContact O-N 3.11Å; T243-Y246 VanDerWaalsContact O-N 3.12Å; T243-Y246 WeakPolarHBondContact OG1-CB 3.33Å; Y246-V248 VanDerWaalsContact C-N 3.3Å; Y246-V248 PolarHBondContact O-N 3.33Å; Y246-M249 HydrophobicContact CD2-CE 3.68Å; Y246-M249 HydrophobicContact CE2-CE 4.49Å; Y246-M249 HydrophobicContact CG-CE 4.4Å; Y246-M249 PolarHBondContact O-N 2.75Å; Y246-R250 WeakPolarHBondContact O-CB 3.1Å; Y246-R250 PolarHBondContact O-N 3.47Å; Y246-R250 VanDerWaalsContact O-N 3.11Å
247S68.1Low68Low18 Ų1857.9 Ų57.913%0.12629%0.29CS..Hα-helixtrans-62.5-34.7173.5-650000113T243 E244 K245 A251T243-S247 PolarHBondContact O-N 3.28Å; E244-S247 WeakPolarHBondContact O-CB 3.46Å; E244-S247 PolarHBondContact O-N 3.12Å; K245-S247 VanDerWaalsContact C-N 3.3Å; K245-S247 PolarHBondContact O-N 3.2Å; S247-A251 WeakPolarHBondContact O-CB 3.36Å; S247-A251 PolarHBondContact O-N 2.94Å
248V73.2Confident70.1Confident15 Ų1555.4 Ų55.49%0.09127%0.265CS..Hα-helixtrans-73.7-47.9176.2174.40000111.5E244 K245 Y246 R250 A251 M252 I278 Y281E244-V248 WeakPolarHBondContact O-CG2 3.46Å; E244-V248 PolarHBondContact O-N 3.26Å; E244-V248 VanDerWaalsContact O-N 3.16Å; K245-V248 PolarHBondContact O-N 3.32Å; K245-V248 VanDerWaalsContact O-N 3.07Å; Y246-V248 VanDerWaalsContact C-N 3.3Å; Y246-V248 PolarHBondContact O-N 3.33Å; V248-R250 VanDerWaalsContact C-N 3.29Å; V248-R250 PolarHBondContact O-N 2.63Å; V248-A251 WeakPolarHBondContact O-CA 3.5Å; V248-A251 WeakPolarHBondContact O-CB 3.44Å; V248-A251 PolarHBondContact O-N 2.74Å; V248-M252 HydrophobicContact CG1-CE 3.81Å; V248-M252 HydrophobicContact CG1-CG 4.45Å; V248-M252 HydrophobicContact CG1-SD 4.07Å; V248-M252 WeakPolarHBondContact O-CG 3.46Å; V248-M252 PolarHBondContact O-N 3.42Å; V248-I278 HydrophobicContact CG2-CD1 4.25Å; V248-I278 HydrophobicContact CG2-CG1 3.98Å; V248-Y281 HydrophobicContact CG1-CD2 4.13Å; V248-Y281 HydrophobicContact CG1-CE2 3.75Å
249M71.3Confident72.1Confident3 Ų349.4 Ų49.42%0.01524%0.242CC..Hα-helixtrans-54.8-45.6178.8-67.2-165.1-67.900112.2Y43 I61 I78 K245 Y246 M252 R253Y43-M249 HydrophobicContact CE2-CB 4.32Å; Y43-M249 HydrophobicContact CE2-CG 3.47Å; Y43-M249 VanDerWaalsContact CE2-CG 3.47Å; Y43-M249 HydrophobicContact CE2-SD 3.85Å; Y43-M249 VanDerWaalsContact OH-CB 3.27Å; Y43-M249 WeakPolarHBondContact OH-CB 3.37Å; Y43-M249 WeakPolarHBondContact OH-CG 3.44Å; Y43-M249 PolarHBondContact OH-SD 3.31Å; I61-M249 HydrophobicContact CD1-CE 3.83Å; I61-M249 HydrophobicContact CD1-SD 3.47Å; I61-M249 WeakPolarHBondContact CD1-SD 3.15Å; I61-M249 HydrophobicContact CG1-SD 4.41Å; I78-M249 HydrophobicContact CD1-CE 4.12Å; I78-M249 HydrophobicContact CG1-CE 4.18Å; I78-M249 HydrophobicContact CG2-CE 3.55Å; I78-M249 HydrophobicContact CG2-SD 3.9Å; K245-M249 VanDerWaalsContact O-CG 3.29Å; K245-M249 WeakPolarHBondContact O-CG 3.23Å; K245-M249 PolarHBondContact O-N 3.02Å; Y246-M249 HydrophobicContact CD2-CE 3.68Å; Y246-M249 HydrophobicContact CE2-CE 4.49Å; Y246-M249 HydrophobicContact CG-CE 4.4Å; Y246-M249 PolarHBondContact O-N 2.75Å; M249-M252 PolarHBondContact O-N 2.8Å; M249-R253 WeakPolarHBondContact O-CG 3.34Å; M249-R253 PolarHBondContact O-N 3.14Å
250R75.5Confident74.2Confident44 Ų4444.1 Ų44.117%0.16621%0.21CC..Hα-helixtrans-69.3-33.3178.2-171.6171.3169.3-138.7-20.2112.6D229 G232 Y246 V248 A254D229-R250 PolarHBondContact O-NH2 3.25Å; D229-R250 IonicContact OD1-CZ 2.61Å; D229-R250 IonicContact OD1-NE 2.78Å; D229-R250 IonicContact OD1-NH2 2.65Å; D229-R250 PolarHBondContact OD1-NH2 2.93Å; D229-R250 IonicContact OD2-CZ 2.72Å; D229-R250 IonicContact OD2-NE 2.68Å; D229-R250 PolarHBondContact OD2-NE 3.07Å; D229-R250 IonicContact OD2-NH2 2.84Å; D229-R250 PolarHBondContact OD2-NH2 3.04Å; G232-R250 VanDerWaalsContact CA-NH2 3.25Å; G232-R250 PolarHBondContact O-NH1 2.85Å; Y246-R250 WeakPolarHBondContact O-CB 3.1Å; Y246-R250 PolarHBondContact O-N 3.47Å; Y246-R250 VanDerWaalsContact O-N 3.11Å; V248-R250 VanDerWaalsContact C-N 3.29Å; V248-R250 PolarHBondContact O-N 2.63Å; R250-A254 PolarHBondContact O-N 3.31Å
251A80.2Confident76.3Confident9 Ų938.8 Ų38.87%0.07419%0.189CC..Hα-helixtrans-66.5-42.2172.900000112.2I180 S247 V248 R253 A254 I255 I278I180-A251 HydrophobicContact CB-CB 4.09Å; I180-A251 HydrophobicContact CG2-CB 3.96Å; S247-A251 WeakPolarHBondContact O-CB 3.36Å; S247-A251 PolarHBondContact O-N 2.94Å; V248-A251 WeakPolarHBondContact O-CA 3.5Å; V248-A251 WeakPolarHBondContact O-CB 3.44Å; V248-A251 PolarHBondContact O-N 2.74Å; A251-R253 VanDerWaalsContact C-N 3.34Å; A251-R253 PolarHBondContact O-N 2.87Å; A251-A254 WeakPolarHBondContact O-CB 3.29Å; A251-A254 PolarHBondContact O-N 3.46Å; A251-I255 WeakPolarHBondContact O-CD1 3.49Å; A251-I255 VanDerWaalsContact O-CG1 3.29Å; A251-I255 WeakPolarHBondContact O-CG1 3.42Å; A251-I255 PolarHBondContact O-N 2.86Å; A251-I278 HydrophobicContact CB-CG2 4.16Å
252M79.9Confident78.3Confident14 Ų1435 Ų357%0.06917%0.171CC..Hα-helixtrans-55.9-46.8175.3-69.1161.6158.100111.7Y43 V248 M249 A254 I255 D256 Y281Y43-M252 HydrophobicContact CD1-SD 3.59Å; Y43-M252 VanDerWaalsContact CD1-SD 3.59Å; Y43-M252 HydrophobicContact CD2-CE 4.08Å; Y43-M252 HydrophobicContact CD2-SD 3.64Å; Y43-M252 HydrophobicContact CE1-SD 3.85Å; Y43-M252 HydrophobicContact CE2-SD 3.97Å; Y43-M252 HydrophobicContact CG-CE 3.94Å; Y43-M252 HydrophobicContact CG-SD 3.49Å; V248-M252 HydrophobicContact CG1-CE 3.81Å; V248-M252 HydrophobicContact CG1-CG 4.45Å; V248-M252 HydrophobicContact CG1-SD 4.07Å; V248-M252 WeakPolarHBondContact O-CG 3.46Å; V248-M252 PolarHBondContact O-N 3.42Å; M249-M252 PolarHBondContact O-N 2.8Å; M252-A254 VanDerWaalsContact C-N 3.29Å; M252-A254 PolarHBondContact O-N 2.92Å; M252-I255 WeakPolarHBondContact O-CB 3.43Å; M252-I255 PolarHBondContact O-N 3.4Å; M252-I255 VanDerWaalsContact O-N 3.15Å; M252-D256 PolarHBondContact O-N 3.25Å; M252-Y281 HydrophobicContact CE-CD1 3.79Å; M252-Y281 HydrophobicContact CE-CD2 3.67Å; M252-Y281 HydrophobicContact CE-CE1 3.59Å; M252-Y281 HydrophobicContact CE-CE2 3.48Å; M252-Y281 VanDerWaalsContact CE-CE2 3.48Å; M252-Y281 HydrophobicContact CE-CG 3.85Å; M252-Y281 VanDerWaalsContact CE-CZ 3.45Å; M252-Y281 HydrophobicContact CG-CD2 4.36Å; M252-Y281 HydrophobicContact CG-CG 4.37Å
253R78.7Confident80.3Confident55 Ų5528.3 Ų28.321%0.20814%0.135CC..Hα-helixtrans-69-28.5179.8-61.3-179.3111.5-148.2-3.9113.1T5 E82 D84 M249 A251 R257T5-R253 VanDerWaalsContact CB-NH2 3.27Å; T5-R253 PolarHBondContact OG1-NH2 3.11Å; E82-R253 VanDerWaalsContact C-NH1 3.31Å; E82-R253 VanDerWaalsContact O-CZ 3.24Å; E82-R253 PolarHBondContact O-NH1 3.02Å; E82-R253 PolarHBondContact O-NH2 3.23Å; E82-R253 WeakPolarHBondContact OE2-CD 3.47Å; E82-R253 IonicContact OE2-CZ 3.62Å; E82-R253 IonicContact OE2-NE 2.7Å; E82-R253 IonicContact OE2-NH1 2.91Å; E82-R253 PolarHBondContact OE2-NH1 3.49Å; D84-R253 IonicContact OD2-NH2 2.67Å; M249-R253 WeakPolarHBondContact O-CG 3.34Å; M249-R253 PolarHBondContact O-N 3.14Å; A251-R253 VanDerWaalsContact C-N 3.34Å; A251-R253 PolarHBondContact O-N 2.87Å; R253-R257 WeakPolarHBondContact O-CG 3.12Å; R253-R257 PolarHBondContact O-N 3.5Å
254A84.7Confident81.9Confident7 Ų726.6 Ų26.66%0.05812%0.124CC..Hα-helixtrans-71.4-40.4171.100000111.6S178 I180 I228 R250 A251 M252 R257 S258S178-A254 PolarHBondContact OG-O 2.86Å; I180-A254 HydrophobicContact CG2-CB 4.25Å; I228-A254 HydrophobicContact CG2-CB 4.17Å; R250-A254 PolarHBondContact O-N 3.31Å; A251-A254 WeakPolarHBondContact O-CB 3.29Å; A251-A254 PolarHBondContact O-N 3.46Å; M252-A254 VanDerWaalsContact C-N 3.29Å; M252-A254 PolarHBondContact O-N 2.92Å; A254-R257 PolarHBondContact O-N 3.15Å; A254-S258 WeakPolarHBondContact O-CB 3.44Å; A254-S258 PolarHBondContact O-N 3.02Å; A254-S258 PolarHBondContact O-OG 3.14Å
255I87.9Confident83.5Confident3 Ų320.1 Ų20.12%0.0159%0.094CC..Hα-helixtrans-58.8-50.9172.1-69158.9000110.3I180 A251 M252 R257 S258 V261 A282 A285 R287I180-I255 HydrophobicContact CD1-CD1 3.67Å; I180-I255 HydrophobicContact CD1-CG1 3.77Å; A251-I255 WeakPolarHBondContact O-CD1 3.49Å; A251-I255 VanDerWaalsContact O-CG1 3.29Å; A251-I255 WeakPolarHBondContact O-CG1 3.42Å; A251-I255 PolarHBondContact O-N 2.86Å; M252-I255 WeakPolarHBondContact O-CB 3.43Å; M252-I255 PolarHBondContact O-N 3.4Å; M252-I255 VanDerWaalsContact O-N 3.15Å; I255-R257 PolarHBondContact O-N 2.96Å; I255-S258 PolarHBondContact O-N 3.38Å; I255-V261 HydrophobicContact CB-CG2 4.44Å; I255-V261 HydrophobicContact CG1-CG1 4.12Å; I255-V261 HydrophobicContact CG1-CG2 4.12Å; I255-V261 HydrophobicContact CG2-CG2 4.42Å; I255-A282 HydrophobicContact CD1-CB 4.04Å; I255-A282 HydrophobicContact CG1-CB 4.17Å; I255-A282 HydrophobicContact CG2-CB 4.5Å; I255-A285 HydrophobicContact CG2-CB 3.54Å; I255-R287 HydrophobicContact CG2-CG 3.77Å; I255-R287 PolarHBondContact O-NH1 3.07Å
256D81.3Confident84.9Confident43 Ų4317 Ų1723%0.238%0.081CC..Hα-helixtrans-59.4-33.6-176.4-75.2-25.6000113.2M252 R287M252-D256 PolarHBondContact O-N 3.25Å; D256-R287 PolarHBondContact O-NH1 3.44Å; D256-R287 PolarHBondContact O-NH2 2.88Å; D256-R287 VanDerWaalsContact O-NH2 3.09Å
257R84.4Confident86.2Confident55 Ų5515.6 Ų15.621%0.2088%0.078CC..THydrogen-bonded Turntrans-88.9-1.6177.8-62.9176.779.1-106.3-6.5114.2K176 D211 D214 I228 R253 A254 I255K176-R257 WeakPolarHBondContact CB-O 3.48Å; D211-R257 VanDerWaalsContact CG-NH2 3.3Å; D211-R257 IonicContact OD2-CZ 2.91Å; D211-R257 IonicContact OD2-NE 3.57Å; D211-R257 IonicContact OD2-NH2 2.77Å; D211-R257 PolarHBondContact OD2-NH2 3.38Å; D214-R257 VanDerWaalsContact CG-NH1 3.32Å; D214-R257 IonicContact OD1-NH1 3.77Å; D214-R257 PolarHBondContact OD1-NH1 3.06Å; D214-R257 IonicContact OD2-CZ 2.71Å; D214-R257 VanDerWaalsContact OD2-CZ 3.25Å; D214-R257 IonicContact OD2-NH1 2.68Å; D214-R257 PolarHBondContact OD2-NH1 3.45Å; D214-R257 IonicContact OD2-NH2 3.82Å; D214-R257 PolarHBondContact OD2-NH2 3.29Å; I228-R257 HydrophobicContact CD1-CB 4.09Å; I228-R257 WeakPolarHBondContact CD1-O 3.37Å; I228-R257 HydrophobicContact CG1-CB 4.41Å; I228-R257 HydrophobicContact CG2-CB 4.01Å; R253-R257 WeakPolarHBondContact O-CG 3.12Å; R253-R257 PolarHBondContact O-N 3.5Å; A254-R257 PolarHBondContact O-N 3.15Å; I255-R257 PolarHBondContact O-N 2.96Å
258S89.6Confident87.4Confident0 Ų020.1 Ų20.10%010%0.097CC..  trans-109.4144.8-177.9-60.60000112.8K176 S178 A254 I255 V260 R287K176-S258 CarbonylContact O-C 3.52Å; S178-S258 WeakPolarHBondContact CB-OG 3.41Å; S178-S258 PolarHBondContact N-OG 2.7Å; S178-S258 VanDerWaalsContact N-OG 3.17Å; S178-S258 PolarHBondContact OG-OG 3.15Å; A254-S258 WeakPolarHBondContact O-CB 3.44Å; A254-S258 PolarHBondContact O-N 3.02Å; A254-S258 PolarHBondContact O-OG 3.14Å; I255-S258 PolarHBondContact O-N 3.38Å; S258-V260 WeakPolarHBondContact CB-O 3.39Å; S258-R287 WeakPolarHBondContact O-CD 3.27Å; S258-R287 PolarHBondContact O-NH1 3.19Å
259D90.4Very high88.3Confident54 Ų5422.7 Ų22.729%0.28911%0.108SC..SBendtrans-78.2-47.3163.9-44.8-48.3000109.1K176 R287 G288 Q350K176-D259 WeakPolarHBondContact CB-OD2 3.34Å; K176-D259 PolarHBondContact N-OD2 3.47Å; K176-D259 PolarHBondContact O-N 3.1Å; D259-R287 WeakPolarHBondContact O-CB 3.21Å; D259-G288 PolarHBondContact O-N 2.84Å; D259-Q350 PolarHBondContact O-NE2 2.9Å; D259-Q350 PolarHBondContact O-OE1 2.96Å
260V94.4Very high89.4Confident0 Ų023.3 Ų23.30%012%0.115CC..EExtended strand (participates in β ladder)trans-117.6139.9-177-175.20000111.9I175 K176 F177 S178 S258 L262 G288 I290 I343 V346I175-V260 HydrophobicContact CG2-CG2 4.25Å; K176-V260 PolarHBondContact O-N 3.44Å; K176-V260 VanDerWaalsContact O-N 3.13Å; F177-V260 WeakPolarHBondContact CA-O 3.48Å; F177-V260 HydrophobicContact CB-CB 4.31Å; F177-V260 WeakPolarHBondContact CB-O 3.37Å; S178-V260 PolarHBondContact N-O 2.97Å; S258-V260 WeakPolarHBondContact CB-O 3.39Å; V260-L262 HydrophobicContact CG1-CD1 4.26Å; V260-G288 CarbonylContact C-O 3.52Å; V260-G288 WeakPolarHBondContact CA-O 3.23Å; V260-I290 HydrophobicContact CG1-CD1 3.8Å; V260-I290 HydrophobicContact CG1-CG1 4.15Å; V260-I343 HydrophobicContact CB-CG2 4.16Å; V260-I343 HydrophobicContact CG1-CG1 4.35Å; V260-I343 HydrophobicContact CG1-CG2 4.31Å; V260-I343 HydrophobicContact CG2-CG2 4.23Å; V260-V346 HydrophobicContact CG1-CB 4.37Å; V260-V346 HydrophobicContact CG1-CG1 4Å; V260-V346 HydrophobicContact CG2-CG1 4.15Å
261V95.5Very high90.2Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-127.4122.2-170.2175.60000110.6I180 I255 V263 A282 R287 G288 V289 I290I180-V261 HydrophobicContact CD1-CG1 3.2Å; I180-V261 HydrophobicContact CG1-CG1 3.64Å; I255-V261 HydrophobicContact CB-CG2 4.44Å; I255-V261 HydrophobicContact CG1-CG1 4.12Å; I255-V261 HydrophobicContact CG1-CG2 4.12Å; I255-V261 HydrophobicContact CG2-CG2 4.42Å; V261-V263 HydrophobicContact CG1-CG2 4.46Å; V261-A282 HydrophobicContact CB-CB 4.21Å; V261-A282 HydrophobicContact CG1-CB 3.8Å; V261-A282 HydrophobicContact CG2-CB 4.44Å; V261-R287 HydrophobicContact CG2-CB 3.81Å; V261-R287 HydrophobicContact CG2-CG 4.25Å; V261-G288 PolarHBondContact N-O 2.91Å; V261-V289 WeakPolarHBondContact O-CA 3.35Å; V261-I290 PolarHBondContact O-N 3.3Å
262L96.6Very high90.7Very high0 Ų027.7 Ų27.70%013%0.131CC..EExtended strand (participates in β ladder)trans-95.7104178.3-7856000109.3F177 S178 L179 I180 V260 V264 I290 V292 I339 I343F177-L262 HydrophobicContact CD2-CD1 3.99Å; F177-L262 HydrophobicContact CD2-CD2 4.21Å; F177-L262 HydrophobicContact CE2-CD2 4.26Å; S178-L262 WeakPolarHBondContact O-CB 3.39Å; S178-L262 PolarHBondContact O-N 2.77Å; L179-L262 HydrophobicContact CD1-CD2 4.26Å; L179-L262 HydrophobicContact CG-CB 4.15Å; L179-L262 HydrophobicContact CG-CD2 4Å; I180-L262 PolarHBondContact N-O 3.27Å; V260-L262 HydrophobicContact CG1-CD1 4.26Å; L262-V264 PolarHBondContact O-N 3.38Å; L262-I290 CarbonylContact C-O 3.56Å; L262-I290 WeakPolarHBondContact CA-O 3.43Å; L262-I290 HydrophobicContact CD1-CB 4.45Å; L262-I290 HydrophobicContact CD1-CD1 4.2Å; L262-I290 HydrophobicContact CG-CB 4.44Å; L262-V292 HydrophobicContact CB-CG2 3.96Å; L262-V292 HydrophobicContact CD2-CG2 4.3Å; L262-V292 HydrophobicContact CG-CG2 3.94Å; L262-I339 HydrophobicContact CD2-CG2 3.71Å; L262-I343 HydrophobicContact CD1-CD1 4.1Å; L262-I343 HydrophobicContact CD1-CG1 3.98Å; L262-I343 HydrophobicContact CD2-CD1 4.35Å
263V95.7Very high91Very high0 Ų031.1 Ų31.10%015%0.147CC..EExtended strand (participates in β ladder)trans-79.4101174.71770000108.5I180 V261 L265 A279 V289 I290 V292I180-V263 HydrophobicContact CD1-CG2 4.2Å; I180-V263 HydrophobicContact CG1-CG2 4.2Å; V261-V263 HydrophobicContact CG1-CG2 4.46Å; V263-L265 HydrophobicContact CG1-CD2 4.19Å; V263-A279 HydrophobicContact CG1-CB 3.89Å; V263-A279 HydrophobicContact CG2-CB 3.89Å; V263-V289 HydrophobicContact CG2-CG1 3.85Å; V263-I290 PolarHBondContact N-O 3.2Å; V263-V292 PolarHBondContact O-N 3.29Å
264V95.9Very high91.2Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-87.9112.4-176-172.90000111L179 I180 V185 K187 L190 L262 V292 N294L179-V264 HydrophobicContact CB-CG2 4.14Å; L179-V264 HydrophobicContact CD2-CG2 4.22Å; L179-V264 HydrophobicContact CG-CG2 4.42Å; I180-V264 WeakPolarHBondContact O-CB 3.39Å; I180-V264 PolarHBondContact O-N 3.04Å; V185-V264 HydrophobicContact CB-CG1 4.12Å; V185-V264 HydrophobicContact CG2-CB 3.9Å; V185-V264 HydrophobicContact CG2-CG1 3.69Å; V185-V264 WeakPolarHBondContact CG2-O 3.46Å; K187-V264 HydrophobicContact CG-CB 4.31Å; K187-V264 HydrophobicContact CG-CG2 4.38Å; L190-V264 HydrophobicContact CD1-CB 4.38Å; L190-V264 HydrophobicContact CD1-CG1 3.55Å; L190-V264 HydrophobicContact CD1-CG2 3.82Å; L262-V264 PolarHBondContact O-N 3.38Å; V264-V292 WeakPolarHBondContact CA-O 3.39Å; V264-V292 HydrophobicContact CG2-CB 4.39Å; V264-N294 HydrophobicContact CG1-CB 3.9Å
265L96.4Very high91.5Very high0 Ų029.4 Ų29.40%014%0.141CC..EExtended strand (participates in β ladder)trans-96.3157173.4-54.8-179.8000110.8V263 I271 D275 I291 V292 N294 I313 F317V263-L265 HydrophobicContact CG1-CD2 4.19Å; L265-I271 HydrophobicContact CD1-CG1 4.37Å; L265-D275 HydrophobicContact CD2-CB 3.68Å; L265-I291 HydrophobicContact CD1-CG2 3.62Å; L265-I291 HydrophobicContact CG-CG2 4.18Å; L265-V292 PolarHBondContact N-O 3.03Å; L265-N294 PolarHBondContact O-N 2.92Å; L265-I313 HydrophobicContact CD1-CD1 4.22Å; L265-I313 HydrophobicContact CD1-CG1 4.19Å; L265-F317 HydrophobicContact CD1-CE2 3.97Å; L265-F317 HydrophobicContact CD1-CZ 4.34Å; L265-F317 HydrophobicContact CD2-CE2 4.35Å; L265-F317 HydrophobicContact CD2-CZ 3.93Å
266N95.4Very high91.6Very high0 Ų031.3 Ų31.30%015%0.149CC..EExtended strand (participates in β ladder)trans-102.5109.1167179.210.9000110.3V185 E268 E269 G270 K295V185-N266 HydrophobicContact CB-CB 4.38Å; V185-N266 HydrophobicContact CG1-CB 4.21Å; N266-E268 PolarHBondContact O-N 3.19Å; N266-E268 VanDerWaalsContact O-N 3.16Å; N266-E268 WeakPolarHBondContact OD1-CB 3.35Å; N266-E268 PolarHBondContact OD1-N 2.8Å; N266-E269 HydrophobicContact CB-CB 4.18Å; N266-E269 VanDerWaalsContact ND2-CG 3.31Å; N266-E269 WeakPolarHBondContact ND2-CG 2.78Å; N266-E269 PolarHBondContact ND2-OE1 3.3Å; N266-E269 PolarHBondContact O-N 3.34Å; N266-G270 PolarHBondContact O-N 2.99Å; N266-G270 VanDerWaalsContact O-N 3.16Å; N266-K295 PolarHBondContact ND2-NZ 2.91Å; N266-K295 WeakPolarHBondContact OD1-CB 3.5Å; N266-K295 VanDerWaalsContact OD1-CD 3.3Å; N266-K295 WeakPolarHBondContact OD1-CD 3.32Å
267G94.6Very high91.7Very high8 Ų832.7 Ų32.78%0.08215%0.151CC..THydrogen-bonded Turntrans-61.5-21.317900000115.1N294 V299G267-N294 PolarHBondContact N-O 3.49Å; G267-V299 VanDerWaalsContact C-CG2 3.41Å; G267-V299 VanDerWaalsContact O-CG2 3.3Å; G267-V299 WeakPolarHBondContact O-CG2 3.46Å
268E93.9Very high91.7Very high113 Ų11330.2 Ų30.253%0.52814%0.141SC..THydrogen-bonded Turntrans-78.4-29.4174.9-177.1-175-142.500113N266 L298N266-E268 PolarHBondContact O-N 3.19Å; N266-E268 VanDerWaalsContact O-N 3.16Å; N266-E268 WeakPolarHBondContact OD1-CB 3.35Å; N266-E268 PolarHBondContact OD1-N 2.8Å; E268-L298 HydrophobicContact CB-CB 4.36Å; E268-L298 HydrophobicContact CG-CB 4.44Å; E268-L298 WeakPolarHBondContact OE2-CD1 3.33Å
269E93.1Very high91.8Very high68 Ų6830.2 Ų30.232%0.31814%0.141SC..THydrogen-bonded Turntrans-104.8-1.9-173.6-79.5178.8-103.400113.9R182 N266 R272 K295R182-E269 IonicContact CZ-OE2 3.13Å; R182-E269 IonicContact NH1-OE1 3.24Å; R182-E269 IonicContact NH1-OE2 3.73Å; R182-E269 PolarHBondContact NH1-OE2 3.47Å; N266-E269 HydrophobicContact CB-CB 4.18Å; N266-E269 VanDerWaalsContact ND2-CG 3.31Å; N266-E269 WeakPolarHBondContact ND2-CG 2.78Å; N266-E269 PolarHBondContact ND2-OE1 3.3Å; N266-E269 PolarHBondContact O-N 3.34Å; E269-R272 IonicContact OE2-CZ 2.65Å; E269-R272 IonicContact OE2-NH1 3.95Å; E269-R272 PolarHBondContact OE2-NH1 2.87Å; E269-R272 VanDerWaalsContact OE2-NH1 3.1Å; E269-R272 IonicContact OE2-NH2 2.55Å; E269-R272 PolarHBondContact OE2-NH2 3.49Å; E269-K295 IonicContact OE1-NZ 2.66Å
270G92.8Very high91.7Very high17 Ų1727.6 Ų27.618%0.17513%0.128CC..  trans67.2-173.9-175.400000114.4R182 N266R182-G270 PolarHBondContact NH2-O 3.17Å; N266-G270 PolarHBondContact O-N 2.99Å; N266-G270 VanDerWaalsContact O-N 3.16Å
271I93.6Very high91.2Very high26 Ų2628.7 Ų28.713%0.13313%0.132CC..  trans-78.5145.2176.8-57.3169.3000109.7L265 E312 I313 E316 F317L265-I271 HydrophobicContact CD1-CG1 4.37Å; I271-E312 HydrophobicContact CD1-CG 4.02Å; I271-I313 HydrophobicContact CD1-CB 4.44Å; I271-I313 HydrophobicContact CD1-CG1 3.88Å; I271-E316 HydrophobicContact CD1-CB 3.79Å; I271-E316 HydrophobicContact CD1-CG 4.04Å; I271-E316 HydrophobicContact CG2-CB 4.17Å; I271-F317 HydrophobicContact CB-CE2 4.38Å; I271-F317 HydrophobicContact CD1-CD2 4.16Å; I271-F317 HydrophobicContact CD1-CE2 3.8Å; I271-F317 HydrophobicContact CG1-CE2 3.98Å; I271-F317 HydrophobicContact CG2-CD2 4.42Å; I271-F317 HydrophobicContact CG2-CE2 3.49Å; I271-F317 VanDerWaalsContact CG2-CE2 3.49Å; I271-F317 HydrophobicContact CG2-CZ 3.78Å
272R91.1Very high90.8Very high118 Ų11828.7 Ų28.745%0.44513%0.132SC..  trans-130.3160.5171.4-65.9-168.5-176.9145.714.9112.6R182 E269 Q274 D275 K276R182-R272 VanDerWaalsContact NH1-NH1 3.19Å; E269-R272 IonicContact OE2-CZ 2.65Å; E269-R272 IonicContact OE2-NH1 3.95Å; E269-R272 PolarHBondContact OE2-NH1 2.87Å; E269-R272 VanDerWaalsContact OE2-NH1 3.1Å; E269-R272 IonicContact OE2-NH2 2.55Å; E269-R272 PolarHBondContact OE2-NH2 3.49Å; R272-Q274 PolarHBondContact O-N 3.14Å; R272-D275 PolarHBondContact N-OD2 3.42Å; R272-D275 WeakPolarHBondContact O-CA 3.33Å; R272-D275 WeakPolarHBondContact O-CB 3.42Å; R272-D275 PolarHBondContact O-N 2.89Å; R272-K276 PolarHBondContact O-N 3.47Å
273E85.7Confident90.5Very high87 Ų8731.2 Ų31.241%0.40714%0.143SC..Hα-helixtrans-50.2-39.3174.5-179.660.1-163.700113.4D275 K276 R277E273-D275 VanDerWaalsContact C-N 3.32Å; E273-D275 PolarHBondContact O-N 2.96Å; E273-K276 WeakPolarHBondContact O-CB 3.28Å; E273-K276 PolarHBondContact O-N 3.38Å; E273-R277 PolarHBondContact O-N 3.29Å; E273-R277 IonicContact OE1-CZ 3.8Å; E273-R277 IonicContact OE1-NE 2.72Å; E273-R277 PolarHBondContact OE1-NE 3.02Å; E273-R277 IonicContact OE1-NH2 3.8Å; E273-R277 PolarHBondContact OE1-NH2 2.84Å
274Q83.1Confident89.8Confident25 Ų2534.4 Ų34.412%0.11716%0.158CC..Hα-helixtrans-65.5-34175.7-165-175.32300112.6R182 E244 R272 R277 I278R182-Q274 HydrophobicContact CB-CG 4.46Å; E244-Q274 PolarHBondContact O-NE2 3.44Å; R272-Q274 PolarHBondContact O-N 3.14Å; Q274-R277 PolarHBondContact O-N 2.85Å; Q274-I278 HydrophobicContact CG-CD1 3.98Å; Q274-I278 WeakPolarHBondContact O-CB 3.11Å; Q274-I278 VanDerWaalsContact O-CG1 3.28Å; Q274-I278 WeakPolarHBondContact O-CG1 3.48Å; Q274-I278 PolarHBondContact O-N 2.8Å; Q274-I278 VanDerWaalsContact O-N 3.15Å
275D90.8Very high89.1Confident1 Ų136 Ų361%0.00517%0.171CC..Hα-helixtrans-68.4-40.4177.9-56.9-47.7000110.4R182 L265 R272 E273 I278 A279 F317R182-D275 WeakPolarHBondContact CD-OD1 2.94Å; R182-D275 WeakPolarHBondContact CD-OD2 3.28Å; R182-D275 WeakPolarHBondContact CG-OD1 3.41Å; R182-D275 IonicContact CZ-OD2 3.64Å; R182-D275 IonicContact NE-OD1 2.85Å; R182-D275 PolarHBondContact NE-OD1 3.38Å; R182-D275 IonicContact NE-OD2 3.66Å; R182-D275 PolarHBondContact NE-OD2 3.14Å; R182-D275 IonicContact NH2-OD2 3.4Å; L265-D275 HydrophobicContact CD2-CB 3.68Å; R272-D275 PolarHBondContact N-OD2 3.42Å; R272-D275 WeakPolarHBondContact O-CA 3.33Å; R272-D275 WeakPolarHBondContact O-CB 3.42Å; R272-D275 PolarHBondContact O-N 2.89Å; E273-D275 VanDerWaalsContact C-N 3.32Å; E273-D275 PolarHBondContact O-N 2.96Å; D275-I278 PolarHBondContact O-N 3.13Å; D275-A279 WeakPolarHBondContact O-CB 3.15Å; D275-A279 PolarHBondContact O-N 3.22Å; D275-F317 HydrophobicContact CB-CZ 4.08Å
276K89.4Confident88.7Confident42 Ų4238.6 Ų38.618%0.18320%0.199CC..Hα-helixtrans-57.1-49.9173.1-65.3-178.1178.6-179.30112.2R272 E273 I278 A279 G280 E316 F317 Y319R272-K276 PolarHBondContact O-N 3.47Å; E273-K276 WeakPolarHBondContact O-CB 3.28Å; E273-K276 PolarHBondContact O-N 3.38Å; K276-I278 PolarHBondContact O-N 2.99Å; K276-A279 PolarHBondContact O-N 3.39Å; K276-G280 PolarHBondContact O-N 3.38Å; K276-E316 WeakPolarHBondContact CE-O 3.32Å; K276-E316 WeakPolarHBondContact CE-OE2 3.17Å; K276-E316 IonicContact NZ-OE2 3.37Å; K276-E316 PolarHBondContact NZ-OE2 2.7Å; K276-F317 HydrophobicContact CG-CE1 4.24Å; K276-Y319 PolarHBondContact O-OH 3.19Å
277R82.6Confident88.4Confident73 Ų7341.4 Ų41.428%0.27521%0.209SC..Hα-helixtrans-60.8-48.5-179.9-63.7-171-157.8175.87.7111.7T38 D40 E273 Q274 A279 G280 Y281T38-R277 WeakPolarHBondContact OG1-CD 3.21Å; T38-R277 VanDerWaalsContact OG1-CG 3.31Å; T38-R277 WeakPolarHBondContact OG1-CG 3.42Å; T38-R277 PolarHBondContact OG1-NE 3.33Å; T38-R277 VanDerWaalsContact OG1-NE 3.11Å; D40-R277 IonicContact OD1-NH1 2.93Å; D40-R277 PolarHBondContact OD1-NH1 3.42Å; D40-R277 VanDerWaalsContact OD1-NH1 3.13Å; D40-R277 WeakPolarHBondContact OD2-CD 3.33Å; D40-R277 IonicContact OD2-NH1 2.68Å; E273-R277 PolarHBondContact O-N 3.29Å; E273-R277 IonicContact OE1-CZ 3.8Å; E273-R277 IonicContact OE1-NE 2.72Å; E273-R277 PolarHBondContact OE1-NE 3.02Å; E273-R277 IonicContact OE1-NH2 3.8Å; E273-R277 PolarHBondContact OE1-NH2 2.84Å; Q274-R277 PolarHBondContact O-N 2.85Å; R277-A279 VanDerWaalsContact C-N 3.28Å; R277-A279 PolarHBondContact O-N 3.15Å; R277-G280 PolarHBondContact O-N 3.16Å; R277-Y281 HydrophobicContact CB-CE2 4.07Å; R277-Y281 WeakPolarHBondContact O-CD2 3.4Å; R277-Y281 WeakPolarHBondContact O-CE2 3.34Å; R277-Y281 PolarHBondContact O-N 3.36Å
278I85.6Confident88.4Confident2 Ų241.3 Ų41.31%0.0121%0.208CC..Hα-helixtrans-60.2-38.5179.9-70.6174.6000111.5I180 V248 A251 Q274 D275 K276I180-I278 HydrophobicContact CB-CG2 3.88Å; I180-I278 HydrophobicContact CD1-CG2 3.52Å; I180-I278 HydrophobicContact CG1-CG2 3.72Å; V248-I278 HydrophobicContact CG2-CD1 4.25Å; V248-I278 HydrophobicContact CG2-CG1 3.98Å; A251-I278 HydrophobicContact CB-CG2 4.16Å; Q274-I278 HydrophobicContact CG-CD1 3.98Å; Q274-I278 WeakPolarHBondContact O-CB 3.11Å; Q274-I278 VanDerWaalsContact O-CG1 3.28Å; Q274-I278 WeakPolarHBondContact O-CG1 3.48Å; Q274-I278 PolarHBondContact O-N 2.8Å; Q274-I278 VanDerWaalsContact O-N 3.15Å; D275-I278 PolarHBondContact O-N 3.13Å; K276-I278 PolarHBondContact O-N 2.99Å
279A90.8Very high88.5Confident0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-75.5-35.8176.300000113V263 D275 K276 R277 Y281 A282 H283 F317 L320V263-A279 HydrophobicContact CG1-CB 3.89Å; V263-A279 HydrophobicContact CG2-CB 3.89Å; D275-A279 WeakPolarHBondContact O-CB 3.15Å; D275-A279 PolarHBondContact O-N 3.22Å; K276-A279 PolarHBondContact O-N 3.39Å; R277-A279 VanDerWaalsContact C-N 3.28Å; R277-A279 PolarHBondContact O-N 3.15Å; A279-Y281 VanDerWaalsContact C-N 3.35Å; A279-Y281 PolarHBondContact O-N 3.39Å; A279-A282 WeakPolarHBondContact O-CB 3.47Å; A279-A282 PolarHBondContact O-N 2.68Å; A279-A282 VanDerWaalsContact O-N 3.14Å; A279-H283 PolarHBondContact O-N 3.15Å; A279-H283 VanDerWaalsContact O-N 3.13Å; A279-F317 HydrophobicContact CB-CD1 3.91Å; A279-F317 HydrophobicContact CB-CE1 3.61Å; A279-L320 HydrophobicContact CB-CD1 3.75Å
280G88.1Confident88.7Confident0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-59.4-40.9173.900000112.9K276 R277 A282 H283 E284K276-G280 PolarHBondContact O-N 3.38Å; R277-G280 PolarHBondContact O-N 3.16Å; G280-A282 VanDerWaalsContact C-N 3.32Å; G280-A282 PolarHBondContact O-N 3.23Å; G280-H283 WeakPolarHBondContact O-CB 3.32Å; G280-H283 PolarHBondContact O-N 2.97Å; G280-E284 PolarHBondContact O-N 2.97Å
281Y83.8Confident88.9Confident23 Ų2332 Ų329%0.0916%0.161CC..Hα-helixtrans-64.8-33.3173.7-63.7-54.7000113.1T38 D40 V248 M252 R277 A279 H283 A285T38-Y281 PolarHBondContact O-OH 3.26Å; D40-Y281 WeakPolarHBondContact CB-OH 3.47Å; D40-Y281 VanDerWaalsContact CG-OH 3.24Å; D40-Y281 PolarHBondContact N-OH 3.04Å; D40-Y281 PolarHBondContact OD2-OH 3.45Å; V248-Y281 HydrophobicContact CG1-CD2 4.13Å; V248-Y281 HydrophobicContact CG1-CE2 3.75Å; M252-Y281 HydrophobicContact CE-CD1 3.79Å; M252-Y281 HydrophobicContact CE-CD2 3.67Å; M252-Y281 HydrophobicContact CE-CE1 3.59Å; M252-Y281 HydrophobicContact CE-CE2 3.48Å; M252-Y281 VanDerWaalsContact CE-CE2 3.48Å; M252-Y281 HydrophobicContact CE-CG 3.85Å; M252-Y281 VanDerWaalsContact CE-CZ 3.45Å; M252-Y281 HydrophobicContact CG-CD2 4.36Å; M252-Y281 HydrophobicContact CG-CG 4.37Å; R277-Y281 HydrophobicContact CB-CE2 4.07Å; R277-Y281 WeakPolarHBondContact O-CD2 3.4Å; R277-Y281 WeakPolarHBondContact O-CE2 3.34Å; R277-Y281 PolarHBondContact O-N 3.36Å; A279-Y281 VanDerWaalsContact C-N 3.35Å; A279-Y281 PolarHBondContact O-N 3.39Å; Y281-H283 VanDerWaalsContact C-N 3.32Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.42Å
282A89Confident89.1Confident0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-68.3-34.2175.300000112.2I180 I255 V261 A279 G280 R287 V289I180-A282 HydrophobicContact CD1-CB 4.32Å; I255-A282 HydrophobicContact CD1-CB 4.04Å; I255-A282 HydrophobicContact CG1-CB 4.17Å; I255-A282 HydrophobicContact CG2-CB 4.5Å; V261-A282 HydrophobicContact CB-CB 4.21Å; V261-A282 HydrophobicContact CG1-CB 3.8Å; V261-A282 HydrophobicContact CG2-CB 4.44Å; A279-A282 WeakPolarHBondContact O-CB 3.47Å; A279-A282 PolarHBondContact O-N 2.68Å; A279-A282 VanDerWaalsContact O-N 3.14Å; G280-A282 VanDerWaalsContact C-N 3.32Å; G280-A282 PolarHBondContact O-N 3.23Å; A282-R287 PolarHBondContact O-N 2.72Å; A282-R287 VanDerWaalsContact O-N 3.16Å; A282-V289 HydrophobicContact CB-CG2 3.92Å
283H90Very high89.4Confident52 Ų5225.2 Ų25.224%0.24113%0.133CC..Hα-helixtrans-70.2-52.5172.617874.1000112.3A279 G280 Y281 A285 G286 Y319 L320 Y322A279-H283 PolarHBondContact O-N 3.15Å; A279-H283 VanDerWaalsContact O-N 3.13Å; G280-H283 WeakPolarHBondContact O-CB 3.32Å; G280-H283 PolarHBondContact O-N 2.97Å; Y281-H283 VanDerWaalsContact C-N 3.32Å; H283-A285 PolarHBondContact O-N 2.88Å; H283-G286 PolarHBondContact O-N 2.77Å; H283-Y319 HydrophobicContact CB-CD2 4.21Å; H283-Y319 PolarHBondContact CE1-O 3.14Å; H283-Y319 PolarHBondContact ND1-O 3.38Å; H283-L320 HydrophobicContact CB-CD2 4.01Å; H283-Y322 AromaticContact CE1-CE1 3.98Å; H283-Y322 AromaticContact ND1-CE1 3.56Å; H283-Y322 AromaticContact ND1-CZ 3.74Å; H283-Y322 PolarHBondContact ND1-OH 2.84Å
284E81.3Confident90Very high67 Ų6721.2 Ų21.231%0.31311%0.114SC..Hα-helixtrans-60.3-31.2177.5-74.4-169.7133.500112.2V37 R39 G280 G286V37-E284 HydrophobicContact CG1-CG 4.39Å; R39-E284 IonicContact CZ-OE1 3.31Å; R39-E284 IonicContact NE-OE1 2.68Å; R39-E284 PolarHBondContact NE-OE1 3.43Å; R39-E284 IonicContact NH2-OE1 3.94Å; R39-E284 PolarHBondContact NH2-OE1 2.73Å; G280-E284 PolarHBondContact O-N 2.97Å; E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å
285A81.3Confident90.6Very high33 Ų3321.8 Ų21.827%0.27312%0.116SC..THydrogen-bonded Turntrans-80.43.1174.900000114.7I255 Y281 H283 R287I255-A285 HydrophobicContact CG2-CB 3.54Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.42Å; H283-A285 PolarHBondContact O-N 2.88Å; A285-R287 VanDerWaalsContact C-N 3.35Å; A285-R287 HydrophobicContact CB-CG 4.16Å; A285-R287 WeakPolarHBondContact O-CD 3.16Å; A285-R287 PolarHBondContact O-N 3.44Å; A285-R287 PolarHBondContact O-NE 3.17Å
286G86.2Confident90.8Very high56 Ų5622 Ų2258%0.57712%0.117SC*.THydrogen-bonded Turntrans67.226.9174.300000115.2H283 E284H283-G286 PolarHBondContact O-N 2.77Å; E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å
287R90Very high91Very high59 Ų5922 Ų2222%0.22312%0.12CC..  trans-91.4154.9-176.6-52-47.7168.9116.21111.9I255 D256 S258 D259 V261 A282 A285 V289I255-R287 HydrophobicContact CG2-CG 3.77Å; I255-R287 PolarHBondContact O-NH1 3.07Å; D256-R287 PolarHBondContact O-NH1 3.44Å; D256-R287 PolarHBondContact O-NH2 2.88Å; D256-R287 VanDerWaalsContact O-NH2 3.09Å; S258-R287 WeakPolarHBondContact O-CD 3.27Å; S258-R287 PolarHBondContact O-NH1 3.19Å; D259-R287 WeakPolarHBondContact O-CB 3.21Å; V261-R287 HydrophobicContact CG2-CB 3.81Å; V261-R287 HydrophobicContact CG2-CG 4.25Å; A282-R287 PolarHBondContact O-N 2.72Å; A282-R287 VanDerWaalsContact O-N 3.16Å; A285-R287 VanDerWaalsContact C-N 3.35Å; A285-R287 HydrophobicContact CB-CG 4.16Å; A285-R287 WeakPolarHBondContact O-CD 3.16Å; A285-R287 PolarHBondContact O-N 3.44Å; A285-R287 PolarHBondContact O-NE 3.17Å; R287-V289 PolarHBondContact O-N 3.02Å
288G93.7Very high91.5Very high6 Ų622.3 Ų22.36%0.06213%0.126CC..EExtended strand (participates in β ladder)trans-64.3131.3168.700000109.4D259 V260 V261D259-G288 PolarHBondContact O-N 2.84Å; V260-G288 CarbonylContact C-O 3.52Å; V260-G288 WeakPolarHBondContact CA-O 3.23Å; V261-G288 PolarHBondContact N-O 2.91Å
289V96.6Very high91.8Very high1 Ų123.2 Ų23.21%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-118.7133.1-175.3-179.70000110.7V261 V263 A282 R287 L320 Y322 A323 P324V261-V289 WeakPolarHBondContact O-CA 3.35Å; V263-V289 HydrophobicContact CG2-CG1 3.85Å; A282-V289 HydrophobicContact CB-CG2 3.92Å; R287-V289 PolarHBondContact O-N 3.02Å; V289-L320 HydrophobicContact CB-CD2 4.17Å; V289-L320 HydrophobicContact CG1-CD1 4.15Å; V289-L320 HydrophobicContact CG1-CD2 4.07Å; V289-L320 HydrophobicContact CG2-CD2 4.09Å; V289-Y322 HydrophobicContact CB-CE2 4.37Å; V289-A323 HydrophobicContact CB-CB 4.15Å; V289-A323 HydrophobicContact CG1-CB 4.1Å; V289-A323 WeakPolarHBondContact O-CB 3.25Å; V289-P324 WeakPolarHBondContact O-CD 3.49Å
290I97.7Very high91.7Very high2 Ų232.7 Ų32.71%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-123.6127.3171.6-58.2172000108.3V260 V261 L262 V263 V292 P324 V326 M342 I343 V346V260-I290 HydrophobicContact CG1-CD1 3.8Å; V260-I290 HydrophobicContact CG1-CG1 4.15Å; V261-I290 PolarHBondContact O-N 3.3Å; L262-I290 CarbonylContact C-O 3.56Å; L262-I290 WeakPolarHBondContact CA-O 3.43Å; L262-I290 HydrophobicContact CD1-CB 4.45Å; L262-I290 HydrophobicContact CD1-CD1 4.2Å; L262-I290 HydrophobicContact CG-CB 4.44Å; V263-I290 PolarHBondContact N-O 3.2Å; I290-V292 HydrophobicContact CG2-CG2 4.03Å; I290-P324 HydrophobicContact CG1-CG 4.24Å; I290-V326 HydrophobicContact CG2-CG1 4.16Å; I290-M342 HydrophobicContact CD1-CB 4.04Å; I290-M342 HydrophobicContact CG2-CE 4.12Å; I290-I343 HydrophobicContact CD1-CG1 3.83Å; I290-V346 HydrophobicContact CD1-CB 4.44Å; I290-V346 HydrophobicContact CD1-CG2 4.19Å; I290-V346 HydrophobicContact CG1-CB 4.45Å; I290-V346 HydrophobicContact CG1-CG2 3.92Å
291I97.5Very high91.7Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-92.8116.5178.3-59.4177.5000109.1L265 I313 L320 A323 P324 I325 V326L265-I291 HydrophobicContact CD1-CG2 3.62Å; L265-I291 HydrophobicContact CG-CG2 4.18Å; I291-I313 HydrophobicContact CD1-CG2 3.67Å; I291-I313 HydrophobicContact CG2-CD1 4.23Å; I291-I313 HydrophobicContact CG2-CG2 4.25Å; I291-L320 HydrophobicContact CD1-CB 4.27Å; I291-L320 HydrophobicContact CD1-CD1 4.22Å; I291-A323 HydrophobicContact CD1-CB 4.26Å; I291-A323 HydrophobicContact CG1-CB 4.22Å; I291-P324 PolarHBondContact N-O 2.96Å; I291-I325 HydrophobicContact CB-CG1 4.08Å; I291-I325 HydrophobicContact CD1-CG1 4.34Å; I291-I325 HydrophobicContact CG2-CG1 4.5Å; I291-I325 CarbonylContact O-C 3.52Å; I291-I325 WeakPolarHBondContact O-CA 3.06Å; I291-V326 PolarHBondContact O-N 2.9Å
292V97.4Very high91.9Very high0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-110.8100.3-172.6-176.90000109.9L190 L262 V263 V264 L265 I290 N294 V326 V328L190-V292 HydrophobicContact CD1-CG1 4.08Å; L262-V292 HydrophobicContact CB-CG2 3.96Å; L262-V292 HydrophobicContact CD2-CG2 4.3Å; L262-V292 HydrophobicContact CG-CG2 3.94Å; V263-V292 PolarHBondContact O-N 3.29Å; V264-V292 WeakPolarHBondContact CA-O 3.39Å; V264-V292 HydrophobicContact CG2-CB 4.39Å; L265-V292 PolarHBondContact N-O 3.03Å; I290-V292 HydrophobicContact CG2-CG2 4.03Å; V292-N294 PolarHBondContact O-N 3.3Å; V292-V326 HydrophobicContact CB-CG1 4.4Å; V292-V326 HydrophobicContact CG1-CG1 4.39Å; V292-V326 HydrophobicContact CG2-CG1 3.96Å; V292-V328 HydrophobicContact CG1-CG2 3.51Å
293V97.5Very high91.7Very high0 Ų048.4 Ų48.40%026%0.259CS..EExtended strand (participates in β ladder)trans-83.696.3178.8-172.10000109.2W296 F309 I313 I325 V326 F327 V328V293-W296 HydrophobicContact CG1-CE3 3.87Å; V293-W296 HydrophobicContact CG1-CZ3 4.19Å; V293-F309 HydrophobicContact CB-CE1 4.48Å; V293-F309 HydrophobicContact CG1-CD1 4.16Å; V293-F309 HydrophobicContact CG1-CE1 3.61Å; V293-F309 HydrophobicContact CG1-CZ 4.15Å; V293-F309 HydrophobicContact CG2-CD1 4.31Å; V293-F309 HydrophobicContact CG2-CE1 3.99Å; V293-I313 HydrophobicContact CG2-CD1 3.54Å; V293-I325 HydrophobicContact CG2-CG2 4.18Å; V293-V326 PolarHBondContact N-O 3.46Å; V293-F327 HydrophobicContact CB-CD1 3.64Å; V293-F327 HydrophobicContact CB-CE1 4.11Å; V293-F327 HydrophobicContact CB-CG 4.29Å; V293-F327 HydrophobicContact CG1-CD1 3.79Å; V293-F327 HydrophobicContact CG1-CE1 4.13Å; V293-F327 HydrophobicContact CG2-CD1 3.94Å; V293-F327 HydrophobicContact CG2-CE1 3.93Å; V293-V328 PolarHBondContact O-N 3.46Å
294N97.3Very high91.6Very high3 Ų349.9 Ų49.92%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-87.2170.4-178.7-16927.7000112.4V185 L190 V264 L265 G267 V292 W296 V328 A330V185-N294 PolarHBondContact O-ND2 2.78Å; L190-N294 HydrophobicContact CD1-CB 4.17Å; V264-N294 HydrophobicContact CG1-CB 3.9Å; L265-N294 PolarHBondContact O-N 2.92Å; G267-N294 PolarHBondContact N-O 3.49Å; V292-N294 PolarHBondContact O-N 3.3Å; N294-W296 PolarHBondContact O-N 3.07Å; N294-V328 HydrophobicContact CB-CG2 4.3Å; N294-A330 PolarHBondContact OD1-N 2.88Å; N294-A330 VanDerWaalsContact OD1-N 3.1Å
295K96.4Very high92.1Very high37 Ų3747.7 Ų47.716%0.16126%0.259CS..  trans56.927.1-173.4-44.5-169.4-157.8162.60113.3N184 N266 E269 D297 L298 V328N184-K295 VanDerWaalsContact O-CE 3.28Å; N184-K295 WeakPolarHBondContact O-CE 3.25Å; N184-K295 PolarHBondContact O-NZ 3.42Å; N266-K295 PolarHBondContact ND2-NZ 2.91Å; N266-K295 WeakPolarHBondContact OD1-CB 3.5Å; N266-K295 VanDerWaalsContact OD1-CD 3.3Å; N266-K295 WeakPolarHBondContact OD1-CD 3.32Å; E269-K295 IonicContact OE1-NZ 2.66Å; K295-D297 VanDerWaalsContact C-OD1 3.29Å; K295-D297 WeakPolarHBondContact CA-OD1 3.47Å; K295-D297 PolarHBondContact O-N 2.72Å; K295-L298 HydrophobicContact CB-CD1 4.04Å; K295-L298 HydrophobicContact CB-CG 4.27Å; K295-L298 HydrophobicContact CD-CD1 4.03Å; K295-L298 PolarHBondContact O-N 3.27Å; K295-V328 PolarHBondContact N-O 3.19Å
296W95.2Very high92.6Very high5 Ų548.9 Ų48.92%0.01926%0.26CS..THydrogen-bonded Turntrans-62.1-15.4-178.9-165.3-111.1000112.8V293 N294 V299 K301 T305 M306 F309 F327 V328V293-W296 HydrophobicContact CG1-CE3 3.87Å; V293-W296 HydrophobicContact CG1-CZ3 4.19Å; N294-W296 PolarHBondContact O-N 3.07Å; W296-V299 HydrophobicContact CD2-CB 4.36Å; W296-V299 HydrophobicContact CD2-CG2 4.32Å; W296-V299 HydrophobicContact CE3-CB 4.05Å; W296-V299 HydrophobicContact CE3-CG1 4.32Å; W296-V299 HydrophobicContact CE3-CG2 3.64Å; W296-V299 HydrophobicContact CH2-CG1 4.07Å; W296-V299 HydrophobicContact CZ3-CB 4.2Å; W296-V299 HydrophobicContact CZ3-CG1 3.96Å; W296-V299 HydrophobicContact CZ3-CG2 3.92Å; W296-K301 WeakPolarHBondContact O-CE 3.27Å; W296-K301 PolarHBondContact O-NZ 2.84Å; W296-T305 HydrophobicContact CH2-CG2 4.36Å; W296-M306 HydrophobicContact CZ2-CB 4.03Å; W296-M306 HydrophobicContact CZ2-CE 3.98Å; W296-M306 HydrophobicContact CZ2-CG 4.39Å; W296-F309 HydrophobicContact CH2-CB 4Å; W296-F309 HydrophobicContact CH2-CG 4.23Å; W296-F309 HydrophobicContact CZ3-CB 4.3Å; W296-F309 HydrophobicContact CZ3-CD1 4.32Å; W296-F309 HydrophobicContact CZ3-CD2 4.2Å; W296-F309 HydrophobicContact CZ3-CG 4.01Å; W296-F327 HydrophobicContact CB-CB 4.46Å; W296-F327 HydrophobicContact CD2-CB 4.13Å; W296-F327 AromaticContact CD2-CD1 3.66Å; W296-F327 HydrophobicContact CD2-CD1 3.66Å; W296-F327 HydrophobicContact CD2-CG 4.3Å; W296-F327 AromaticContact CE2-CD1 3.85Å; W296-F327 AromaticContact CE3-CD1 3.53Å; W296-F327 HydrophobicContact CE3-CD1 3.53Å; W296-F327 HydrophobicContact CE3-CE1 4.12Å; W296-F327 HydrophobicContact CG-CB 3.98Å; W296-F327 HydrophobicContact CG-CD1 4.38Å; W296-F327 AromaticContact CH2-CD1 3.8Å; W296-F327 HydrophobicContact CH2-CD1 3.8Å; W296-F327 AromaticContact CH2-CE1 3.71Å; W296-F327 HydrophobicContact CH2-CE1 3.71Å; W296-F327 AromaticContact CZ2-CD1 3.94Å; W296-F327 HydrophobicContact CZ2-CD1 3.94Å; W296-F327 HydrophobicContact CZ2-CE1 4.15Å; W296-F327 AromaticContact CZ3-CD1 3.6Å; W296-F327 HydrophobicContact CZ3-CD1 3.6Å; W296-F327 AromaticContact CZ3-CE1 3.69Å; W296-F327 HydrophobicContact CZ3-CE1 3.69Å; W296-V328 VanDerWaalsContact CB-O 3.23Å; W296-V328 WeakPolarHBondContact CB-O 3.47Å; W296-V328 PolarHBondContact N-O 3.16Å
297D93.4Very high92.9Very high44 Ų4451.9 Ų51.924%0.23526%0.257CS..THydrogen-bonded Turntrans-63.9-32.7169.154.8-61.6000114.1K295 S329 T332K295-D297 VanDerWaalsContact C-OD1 3.29Å; K295-D297 WeakPolarHBondContact CA-OD1 3.47Å; K295-D297 PolarHBondContact O-N 2.72Å; D297-S329 WeakPolarHBondContact OD1-CB 3.23Å; D297-S329 PolarHBondContact OD1-OG 3.41Å; D297-T332 HydrophobicContact CB-CG2 3.85Å
298L93.5Very high93.1Very high78 Ų7853.3 Ų53.341%0.40827%0.267SS..THydrogen-bonded Turntrans-80.3-24.1-178.6-55.2-176.6000113.1E268 K295 K300E268-L298 HydrophobicContact CB-CB 4.36Å; E268-L298 HydrophobicContact CG-CB 4.44Å; E268-L298 WeakPolarHBondContact OE2-CD1 3.33Å; K295-L298 HydrophobicContact CB-CD1 4.04Å; K295-L298 HydrophobicContact CB-CG 4.27Å; K295-L298 HydrophobicContact CD-CD1 4.03Å; K295-L298 PolarHBondContact O-N 3.27Å; L298-K300 PolarHBondContact O-N 3.49Å
299V92.1Very high93.1Very high22 Ų2253.9 Ų53.913%0.13327%0.267CS..SBendtrans-66.5126.2-179.7-176.60000110.4G267 W296 K301 T305G267-V299 VanDerWaalsContact C-CG2 3.41Å; G267-V299 VanDerWaalsContact O-CG2 3.3Å; G267-V299 WeakPolarHBondContact O-CG2 3.46Å; W296-V299 HydrophobicContact CD2-CB 4.36Å; W296-V299 HydrophobicContact CD2-CG2 4.32Å; W296-V299 HydrophobicContact CE3-CB 4.05Å; W296-V299 HydrophobicContact CE3-CG1 4.32Å; W296-V299 HydrophobicContact CE3-CG2 3.64Å; W296-V299 HydrophobicContact CH2-CG1 4.07Å; W296-V299 HydrophobicContact CZ3-CB 4.2Å; W296-V299 HydrophobicContact CZ3-CG1 3.96Å; W296-V299 HydrophobicContact CZ3-CG2 3.92Å; V299-K301 WeakPolarHBondContact O-CE 3.12Å; V299-T305 HydrophobicContact CG1-CG2 4.11Å
300K88.7Confident93Very high198 Ų19857.6 Ų57.686%0.86129%0.285SS*.  trans-69.3131.8172.2-66.4175.5-176.1168.30108.8L298L298-K300 PolarHBondContact O-N 3.49Å
301K87.8Confident92.9Very high106 Ų10662 Ų6246%0.46131%0.305SS..  trans-119.9139.8-170-67.8141.8-169.6157.50112.3W296 V299W296-K301 WeakPolarHBondContact O-CE 3.27Å; W296-K301 PolarHBondContact O-NZ 2.84Å; V299-K301 WeakPolarHBondContact O-CE 3.12Å
302D86.7Confident92.8Very high107 Ų10765.7 Ų65.757%0.57232%0.322SS*.  trans-117.9-157160.856.852.1000109.4N304 T305D302-N304 PolarHBondContact OD1-N 3.23Å; D302-T305 PolarHBondContact N-OG1 3.31Å; D302-T305 PolarHBondContact OD1-N 2.92Å; D302-T305 PolarHBondContact OD1-OG1 3Å; D302-T305 PolarHBondContact OD2-OG1 3.27Å
303T84.7Confident92.7Very high140 Ų14065.7 Ų65.786%0.85932%0.323SS*.SBendtrans-68.4-31.8-179.6-49.10000113.5
304N89.5Confident92.6Very high83 Ų8369.2 Ų69.244%0.44434%0.336SS..SBendtrans-113.2-18.8-165.7-69.9-3.8000114.1D302 M306 K307 E308D302-N304 PolarHBondContact OD1-N 3.23Å; N304-M306 PolarHBondContact O-N 3.36Å; N304-K307 WeakPolarHBondContact O-CA 3.32Å; N304-K307 WeakPolarHBondContact O-CB 3.25Å; N304-K307 PolarHBondContact O-N 2.76Å; N304-E308 VanDerWaalsContact CB-CD 3.45Å; N304-E308 HydrophobicContact CB-CG 4Å; N304-E308 WeakPolarHBondContact CB-OE1 3.48Å; N304-E308 PolarHBondContact ND2-OE1 2.76Å; N304-E308 VanDerWaalsContact ND2-OE1 3.1Å; N304-E308 PolarHBondContact O-N 2.69Å
305T90.3Very high92.3Very high21 Ų2175.6 Ų75.613%0.12937%0.37CS..Hα-helixtrans-45.7-35.3-169.5-36.10000115W296 V299 D302 F309W296-T305 HydrophobicContact CH2-CG2 4.36Å; V299-T305 HydrophobicContact CG1-CG2 4.11Å; D302-T305 PolarHBondContact N-OG1 3.31Å; D302-T305 PolarHBondContact OD1-N 2.92Å; D302-T305 PolarHBondContact OD1-OG1 3Å; D302-T305 PolarHBondContact OD2-OG1 3.27Å; T305-F309 VanDerWaalsContact O-CB 3.31Å; T305-F309 WeakPolarHBondContact O-CB 3.44Å; T305-F309 PolarHBondContact O-N 3.17Å
306M91.5Very high92.2Very high59 Ų5977.9 Ų77.929%0.29138%0.381SS..Hα-helixtrans-68.9-38.2177.6-172.9164-71.600113W296 N304 E310 F327 R335W296-M306 HydrophobicContact CZ2-CB 4.03Å; W296-M306 HydrophobicContact CZ2-CE 3.98Å; W296-M306 HydrophobicContact CZ2-CG 4.39Å; N304-M306 PolarHBondContact O-N 3.36Å; M306-E310 WeakPolarHBondContact O-CB 3.4Å; M306-E310 PolarHBondContact O-N 2.99Å; M306-E310 VanDerWaalsContact O-N 3.14Å; M306-F327 HydrophobicContact CE-CB 3.93Å; M306-F327 HydrophobicContact CE-CD2 4.13Å; M306-F327 HydrophobicContact CE-CG 3.97Å; M306-F327 HydrophobicContact CG-CD2 3.68Å; M306-F327 HydrophobicContact CG-CE1 4.37Å; M306-F327 HydrophobicContact CG-CE2 3.53Å; M306-F327 HydrophobicContact CG-CG 4.19Å; M306-F327 HydrophobicContact CG-CZ 3.91Å; M306-F327 VanDerWaalsContact O-CZ 3.26Å; M306-F327 WeakPolarHBondContact O-CZ 3.28Å; M306-F327 HydrophobicContact SD-CD2 3.9Å; M306-F327 HydrophobicContact SD-CE2 4.32Å; M306-F327 HydrophobicContact SD-CG 4.36Å; M306-R335 VanDerWaalsContact CE-NH1 3.33Å; M306-R335 PolarHBondContact SD-NH1 2.61Å
307K93.3Very high92Very high119 Ų11977.7 Ų77.752%0.51738%0.38SS..Hα-helixtrans-75.3-41.3176.5179.1179.5173.5-69.60111.1N304 F309 E310 E311N304-K307 WeakPolarHBondContact O-CA 3.32Å; N304-K307 WeakPolarHBondContact O-CB 3.25Å; N304-K307 PolarHBondContact O-N 2.76Å; K307-F309 VanDerWaalsContact C-N 3.34Å; K307-F309 PolarHBondContact O-N 2.8Å; K307-E310 WeakPolarHBondContact O-CB 3.49Å; K307-E310 PolarHBondContact O-N 3.12Å; K307-E310 VanDerWaalsContact O-N 3.12Å; K307-E311 IonicContact NZ-OE1 2.97Å; K307-E311 PolarHBondContact NZ-OE1 2.89Å; K307-E311 IonicContact NZ-OE2 3.27Å; K307-E311 PolarHBondContact NZ-OE2 2.97Å; K307-E311 WeakPolarHBondContact O-CG 3.29Å; K307-E311 PolarHBondContact O-N 3.13Å
308E93.7Very high91.8Very high89 Ų8978.8 Ų78.842%0.41640%0.396SS..Hα-helixtrans-63.8-39.3178.6-70166.8-176.900111.2N304 E311 E312N304-E308 VanDerWaalsContact CB-CD 3.45Å; N304-E308 HydrophobicContact CB-CG 4Å; N304-E308 WeakPolarHBondContact CB-OE1 3.48Å; N304-E308 PolarHBondContact ND2-OE1 2.76Å; N304-E308 VanDerWaalsContact ND2-OE1 3.1Å; N304-E308 PolarHBondContact O-N 2.69Å; E308-E311 PolarHBondContact O-N 2.81Å; E308-E312 PolarHBondContact O-N 2.95Å
309F94.5Very high91.6Very high17 Ų1775.8 Ų75.88%0.07538%0.379CS..Hα-helixtrans-72.9-27.2172.5-157.8-81.1000112.9V293 W296 T305 K307 I313 F327V293-F309 HydrophobicContact CB-CE1 4.48Å; V293-F309 HydrophobicContact CG1-CD1 4.16Å; V293-F309 HydrophobicContact CG1-CE1 3.61Å; V293-F309 HydrophobicContact CG1-CZ 4.15Å; V293-F309 HydrophobicContact CG2-CD1 4.31Å; V293-F309 HydrophobicContact CG2-CE1 3.99Å; W296-F309 HydrophobicContact CH2-CB 4Å; W296-F309 HydrophobicContact CH2-CG 4.23Å; W296-F309 HydrophobicContact CZ3-CB 4.3Å; W296-F309 HydrophobicContact CZ3-CD1 4.32Å; W296-F309 HydrophobicContact CZ3-CD2 4.2Å; W296-F309 HydrophobicContact CZ3-CG 4.01Å; T305-F309 VanDerWaalsContact O-CB 3.31Å; T305-F309 WeakPolarHBondContact O-CB 3.44Å; T305-F309 PolarHBondContact O-N 3.17Å; K307-F309 VanDerWaalsContact C-N 3.34Å; K307-F309 PolarHBondContact O-N 2.8Å; F309-I313 HydrophobicContact CD1-CD1 3.71Å; F309-I313 HydrophobicContact CD1-CG1 4.11Å; F309-I313 HydrophobicContact CE1-CD1 3.82Å; F309-I313 HydrophobicContact CE1-CG1 4.12Å; F309-I313 VanDerWaalsContact O-CG1 3.3Å; F309-I313 WeakPolarHBondContact O-CG1 3.29Å; F309-I313 PolarHBondContact O-N 3.42Å; F309-I313 VanDerWaalsContact O-N 3.08Å; F309-F327 HydrophobicContact CB-CE1 4.11Å; F309-F327 HydrophobicContact CB-CZ 4.44Å; F309-F327 AromaticContact CD1-CE1 3.72Å; F309-F327 HydrophobicContact CD1-CE1 3.72Å; F309-F327 HydrophobicContact CD1-CZ 4.37Å; F309-F327 HydrophobicContact CG-CE1 4.21Å
310E95.4Very high91.6Very high80 Ų8074.8 Ų74.837%0.37437%0.373SS..Hα-helixtrans-69.7-40.8171.8-162.8178.2155.500111M306 K307 I313 R314 I325 F327M306-E310 WeakPolarHBondContact O-CB 3.4Å; M306-E310 PolarHBondContact O-N 2.99Å; M306-E310 VanDerWaalsContact O-N 3.14Å; K307-E310 WeakPolarHBondContact O-CB 3.49Å; K307-E310 PolarHBondContact O-N 3.12Å; K307-E310 VanDerWaalsContact O-N 3.12Å; E310-I313 PolarHBondContact O-N 2.96Å; E310-R314 WeakPolarHBondContact O-CG 3.42Å; E310-R314 PolarHBondContact O-N 2.91Å; E310-I325 HydrophobicContact CG-CD1 3.63Å; E310-F327 HydrophobicContact CB-CZ 4.25Å
311E94.8Very high91.8Very high95 Ų9570.8 Ų70.844%0.44436%0.361SS..Hα-helixtrans-63.4-43.4172.9-71.5172.2143.900111.2K307 E308 I313 R314 D315K307-E311 IonicContact NZ-OE1 2.97Å; K307-E311 PolarHBondContact NZ-OE1 2.89Å; K307-E311 IonicContact NZ-OE2 3.27Å; K307-E311 PolarHBondContact NZ-OE2 2.97Å; K307-E311 WeakPolarHBondContact O-CG 3.29Å; K307-E311 PolarHBondContact O-N 3.13Å; E308-E311 PolarHBondContact O-N 2.81Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 PolarHBondContact O-N 3.03Å; E311-R314 PolarHBondContact O-N 2.96Å; E311-R314 VanDerWaalsContact O-N 3.14Å; E311-D315 PolarHBondContact O-N 3.19Å
312E94.8Very high92.1Very high76 Ų7670.9 Ų70.936%0.35536%0.359SS..Hα-helixtrans-55.9-43.6171.7-167.7-168.8139.500112.3I271 E308 E316I271-E312 HydrophobicContact CD1-CG 4.02Å; E308-E312 PolarHBondContact O-N 2.95Å; E312-E316 WeakPolarHBondContact O-CB 3.49Å; E312-E316 WeakPolarHBondContact O-CG 3.5Å; E312-E316 PolarHBondContact O-N 2.74Å
313I95.3Very high92.5Very high1 Ų165.8 Ų65.81%0.00533%0.332CS..Hα-helixtrans-64.3-42.9175.6-70.2165.2000111.5L265 I271 I291 V293 F309 E310 E311 D315 E316 F317 I325L265-I313 HydrophobicContact CD1-CD1 4.22Å; L265-I313 HydrophobicContact CD1-CG1 4.19Å; I271-I313 HydrophobicContact CD1-CB 4.44Å; I271-I313 HydrophobicContact CD1-CG1 3.88Å; I291-I313 HydrophobicContact CD1-CG2 3.67Å; I291-I313 HydrophobicContact CG2-CD1 4.23Å; I291-I313 HydrophobicContact CG2-CG2 4.25Å; V293-I313 HydrophobicContact CG2-CD1 3.54Å; F309-I313 HydrophobicContact CD1-CD1 3.71Å; F309-I313 HydrophobicContact CD1-CG1 4.11Å; F309-I313 HydrophobicContact CE1-CD1 3.82Å; F309-I313 HydrophobicContact CE1-CG1 4.12Å; F309-I313 VanDerWaalsContact O-CG1 3.3Å; F309-I313 WeakPolarHBondContact O-CG1 3.29Å; F309-I313 PolarHBondContact O-N 3.42Å; F309-I313 VanDerWaalsContact O-N 3.08Å; E310-I313 PolarHBondContact O-N 2.96Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 PolarHBondContact O-N 3.03Å; I313-D315 VanDerWaalsContact C-N 3.35Å; I313-E316 PolarHBondContact O-N 3.31Å; I313-F317 HydrophobicContact CG2-CD2 4Å; I313-F317 WeakPolarHBondContact O-CA 3.5Å; I313-F317 WeakPolarHBondContact O-CB 3.44Å; I313-F317 PolarHBondContact O-N 3.34Å; I313-I325 HydrophobicContact CB-CD1 4.05Å; I313-I325 HydrophobicContact CD1-CD1 4.34Å; I313-I325 HydrophobicContact CD1-CG2 3.85Å; I313-I325 HydrophobicContact CG2-CD1 3.56Å; I313-I325 HydrophobicContact CG2-CG1 4.14Å
314R95Very high93.1Very high74 Ų7461 Ų6128%0.27930%0.304SS..Hα-helixtrans-68.3-33.9-178.2-66.9-60.8-177.1-157.40.3112.5E310 E311 A318 L320 D321 A323 I325E310-R314 WeakPolarHBondContact O-CG 3.42Å; E310-R314 PolarHBondContact O-N 2.91Å; E311-R314 PolarHBondContact O-N 2.96Å; E311-R314 VanDerWaalsContact O-N 3.14Å; R314-A318 VanDerWaalsContact O-CA 3.29Å; R314-A318 WeakPolarHBondContact O-CA 3.5Å; R314-A318 PolarHBondContact O-N 3.45Å; R314-L320 PolarHBondContact NH1-O 3.46Å; R314-D321 PolarHBondContact NH1-O 3.05Å; R314-D321 VanDerWaalsContact NH1-O 3.08Å; R314-A323 PolarHBondContact NH1-O 3.37Å; R314-A323 PolarHBondContact NH2-O 3Å; R314-I325 VanDerWaalsContact CZ-CD1 3.48Å
315D92.8Very high93.5Very high137 Ų13758.3 Ų58.373%0.73329%0.289SS*.Hα-helixtrans-71.9-46.2174-77.3-11.4000111.7E311 I313E311-D315 PolarHBondContact O-N 3.19Å; I313-D315 VanDerWaalsContact C-N 3.35Å
316E92.7Very high93.8Very high84 Ų8457.7 Ų57.739%0.39329%0.285SS..Hα-helixtrans-79.6-20.5-175.3-66.5-74.6-159.200114.1I271 K276 E312 I313I271-E316 HydrophobicContact CD1-CB 3.79Å; I271-E316 HydrophobicContact CD1-CG 4.04Å; I271-E316 HydrophobicContact CG2-CB 4.17Å; K276-E316 WeakPolarHBondContact CE-O 3.32Å; K276-E316 WeakPolarHBondContact CE-OE2 3.17Å; K276-E316 IonicContact NZ-OE2 3.37Å; K276-E316 PolarHBondContact NZ-OE2 2.7Å; E312-E316 WeakPolarHBondContact O-CB 3.49Å; E312-E316 WeakPolarHBondContact O-CG 3.5Å; E312-E316 PolarHBondContact O-N 2.74Å; I313-E316 PolarHBondContact O-N 3.31Å
317F92.3Very high94Very high1 Ų155.1 Ų55.10%0.00427%0.272CS..THydrogen-bonded Turntrans-124.148.1175.4-60.1-92.5000111.6L265 I271 D275 K276 A279 I313 Y319 L320L265-F317 HydrophobicContact CD1-CE2 3.97Å; L265-F317 HydrophobicContact CD1-CZ 4.34Å; L265-F317 HydrophobicContact CD2-CE2 4.35Å; L265-F317 HydrophobicContact CD2-CZ 3.93Å; I271-F317 HydrophobicContact CB-CE2 4.38Å; I271-F317 HydrophobicContact CD1-CD2 4.16Å; I271-F317 HydrophobicContact CD1-CE2 3.8Å; I271-F317 HydrophobicContact CG1-CE2 3.98Å; I271-F317 HydrophobicContact CG2-CD2 4.42Å; I271-F317 HydrophobicContact CG2-CE2 3.49Å; I271-F317 VanDerWaalsContact CG2-CE2 3.49Å; I271-F317 HydrophobicContact CG2-CZ 3.78Å; D275-F317 HydrophobicContact CB-CZ 4.08Å; K276-F317 HydrophobicContact CG-CE1 4.24Å; A279-F317 HydrophobicContact CB-CD1 3.91Å; A279-F317 HydrophobicContact CB-CE1 3.61Å; I313-F317 HydrophobicContact CG2-CD2 4Å; I313-F317 WeakPolarHBondContact O-CA 3.5Å; I313-F317 WeakPolarHBondContact O-CB 3.44Å; I313-F317 PolarHBondContact O-N 3.34Å; F317-Y319 WeakPolarHBondContact CD1-OH 3.47Å; F317-Y319 PolarHBondContact O-N 2.64Å; F317-L320 HydrophobicContact CB-CB 4.24Å; F317-L320 HydrophobicContact CB-CD1 4.24Å; F317-L320 HydrophobicContact CD1-CD1 3.95Å; F317-L320 HydrophobicContact CG-CD1 4.45Å; F317-L320 PolarHBondContact O-N 3Å
318A89.5Confident94.2Very high67 Ų6749.5 Ų49.555%0.55425%0.247SC*.G310 helixtrans-56.3-20.5-177.400000115.4R314 L320R314-A318 VanDerWaalsContact O-CA 3.29Å; R314-A318 WeakPolarHBondContact O-CA 3.5Å; R314-A318 PolarHBondContact O-N 3.45Å; A318-L320 VanDerWaalsContact C-N 3.32Å
319Y88.7Confident94.3Very high16 Ų1645.2 Ų45.26%0.06323%0.228CC..G310 helixtrans-85.63.9174.156.9-90.6000114.1T34 V37 K276 H283 F317 Y322T34-Y319 VanDerWaalsContact CG2-CB 3.44Å; T34-Y319 HydrophobicContact CG2-CG 4.07Å; V37-Y319 HydrophobicContact CG2-CD1 4.1Å; V37-Y319 HydrophobicContact CG2-CD2 4Å; V37-Y319 HydrophobicContact CG2-CE1 4.04Å; V37-Y319 HydrophobicContact CG2-CE2 3.94Å; V37-Y319 HydrophobicContact CG2-CG 4.11Å; K276-Y319 PolarHBondContact O-OH 3.19Å; H283-Y319 HydrophobicContact CB-CD2 4.21Å; H283-Y319 PolarHBondContact CE1-O 3.14Å; H283-Y319 PolarHBondContact ND1-O 3.38Å; F317-Y319 WeakPolarHBondContact CD1-OH 3.47Å; F317-Y319 PolarHBondContact O-N 2.64Å; Y319-Y322 WeakPolarHBondContact O-CE1 3.29Å
320L92.7Very high94.2Very high0 Ų045 Ų450%023%0.229CC..G310 helixtrans-122.633.4175-64.2176.1000111.1A279 H283 V289 I291 R314 F317 A318 Y322 A323A279-L320 HydrophobicContact CB-CD1 3.75Å; H283-L320 HydrophobicContact CB-CD2 4.01Å; V289-L320 HydrophobicContact CB-CD2 4.17Å; V289-L320 HydrophobicContact CG1-CD1 4.15Å; V289-L320 HydrophobicContact CG1-CD2 4.07Å; V289-L320 HydrophobicContact CG2-CD2 4.09Å; I291-L320 HydrophobicContact CD1-CB 4.27Å; I291-L320 HydrophobicContact CD1-CD1 4.22Å; R314-L320 PolarHBondContact NH1-O 3.46Å; F317-L320 HydrophobicContact CB-CB 4.24Å; F317-L320 HydrophobicContact CB-CD1 4.24Å; F317-L320 HydrophobicContact CD1-CD1 3.95Å; F317-L320 HydrophobicContact CG-CD1 4.45Å; F317-L320 PolarHBondContact O-N 3Å; A318-L320 VanDerWaalsContact C-N 3.32Å; L320-Y322 HydrophobicContact CD2-CE1 3.92Å; L320-Y322 WeakPolarHBondContact CD2-OH 3.11Å; L320-Y322 PolarHBondContact O-N 3.29Å; L320-A323 HydrophobicContact CB-CB 4Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.26Å
321D92Very high94.1Very high114 Ų11447.5 Ų47.561%0.6124%0.244SC*.THydrogen-bonded Turntrans-56-37.617567.5-27.4000112.5R314 A323R314-D321 PolarHBondContact NH1-O 3.05Å; R314-D321 VanDerWaalsContact NH1-O 3.08Å; D321-A323 VanDerWaalsContact C-N 3.31Å; D321-A323 PolarHBondContact O-N 3.46Å
322Y93.3Very high94Very high108 Ų10846.8 Ų46.842%0.42425%0.246SC..THydrogen-bonded Turntrans-67-22.4173.867.9-89.1000114.7H283 V289 Y319 L320H283-Y322 AromaticContact CE1-CE1 3.98Å; H283-Y322 AromaticContact ND1-CE1 3.56Å; H283-Y322 AromaticContact ND1-CZ 3.74Å; H283-Y322 PolarHBondContact ND1-OH 2.84Å; V289-Y322 HydrophobicContact CB-CE2 4.37Å; Y319-Y322 WeakPolarHBondContact O-CE1 3.29Å; L320-Y322 HydrophobicContact CD2-CE1 3.92Å; L320-Y322 WeakPolarHBondContact CD2-OH 3.11Å; L320-Y322 PolarHBondContact O-N 3.29Å
323A96.1Very high93.8Very high1 Ų147.3 Ų47.31%0.00825%0.247CC..SBendtrans-75.2130-174.200000111V289 I291 R314 L320 D321V289-A323 HydrophobicContact CB-CB 4.15Å; V289-A323 HydrophobicContact CG1-CB 4.1Å; V289-A323 WeakPolarHBondContact O-CB 3.25Å; I291-A323 HydrophobicContact CD1-CB 4.26Å; I291-A323 HydrophobicContact CG1-CB 4.22Å; R314-A323 PolarHBondContact NH1-O 3.37Å; R314-A323 PolarHBondContact NH2-O 3Å; L320-A323 HydrophobicContact CB-CB 4Å; L320-A323 WeakPolarHBondContact O-CB 3.31Å; L320-A323 PolarHBondContact O-N 3.26Å; D321-A323 VanDerWaalsContact C-N 3.31Å; D321-A323 PolarHBondContact O-N 3.46Å
324P97Very high93.7Very high40 Ų4051.1 Ų51.126%0.2626%0.264SS..  trans-73.9145.2172.530.9-36.1000111.4V289 I290 I291 M342 V346V289-P324 WeakPolarHBondContact O-CD 3.49Å; I290-P324 HydrophobicContact CG1-CG 4.24Å; I291-P324 PolarHBondContact N-O 2.96Å; P324-M342 HydrophobicContact CB-CE 3.67Å; P324-M342 HydrophobicContact CG-CE 3.91Å; P324-V346 HydrophobicContact CG-CG2 3.87Å
325I97.3Very high93.5Very high26 Ų2652 Ų5213%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-108.6131-177-61.7164.7000109.4I291 V293 E310 I313 R314 F327I291-I325 HydrophobicContact CB-CG1 4.08Å; I291-I325 HydrophobicContact CD1-CG1 4.34Å; I291-I325 HydrophobicContact CG2-CG1 4.5Å; I291-I325 CarbonylContact O-C 3.52Å; I291-I325 WeakPolarHBondContact O-CA 3.06Å; V293-I325 HydrophobicContact CG2-CG2 4.18Å; E310-I325 HydrophobicContact CG-CD1 3.63Å; I313-I325 HydrophobicContact CB-CD1 4.05Å; I313-I325 HydrophobicContact CD1-CD1 4.34Å; I313-I325 HydrophobicContact CD1-CG2 3.85Å; I313-I325 HydrophobicContact CG2-CD1 3.56Å; I313-I325 HydrophobicContact CG2-CG1 4.14Å; R314-I325 VanDerWaalsContact CZ-CD1 3.48Å; I325-F327 HydrophobicContact CG2-CD2 4.39Å; I325-F327 HydrophobicContact CG2-CE2 3.86Å; I325-F327 HydrophobicContact CG2-CZ 4.11Å
326V96.5Very high93.4Very high7 Ų745.6 Ų45.64%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-131.4115.8177.868.40000112.5I290 I291 V292 V293 V328 K338 M342I290-V326 HydrophobicContact CG2-CG1 4.16Å; I291-V326 PolarHBondContact O-N 2.9Å; V292-V326 HydrophobicContact CB-CG1 4.4Å; V292-V326 HydrophobicContact CG1-CG1 4.39Å; V292-V326 HydrophobicContact CG2-CG1 3.96Å; V293-V326 PolarHBondContact N-O 3.46Å; V326-V328 HydrophobicContact CG1-CG1 4.28Å; V326-V328 HydrophobicContact CG2-CG1 3.83Å; V326-K338 HydrophobicContact CG2-CB 4.47Å; V326-K338 HydrophobicContact CG2-CD 4.5Å; V326-M342 HydrophobicContact CB-CE 3.97Å; V326-M342 HydrophobicContact CB-SD 3.87Å; V326-M342 HydrophobicContact CG1-CE 4.32Å; V326-M342 HydrophobicContact CG1-SD 4.26Å; V326-M342 HydrophobicContact CG2-SD 3.96Å
327F97.1Very high93.1Very high6 Ų645 Ų453%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-83122.5174.5-57.5-94.1000110.5V293 W296 M306 F309 E310 I325 R335V293-F327 HydrophobicContact CB-CD1 3.64Å; V293-F327 HydrophobicContact CB-CE1 4.11Å; V293-F327 HydrophobicContact CB-CG 4.29Å; V293-F327 HydrophobicContact CG1-CD1 3.79Å; V293-F327 HydrophobicContact CG1-CE1 4.13Å; V293-F327 HydrophobicContact CG2-CD1 3.94Å; V293-F327 HydrophobicContact CG2-CE1 3.93Å; W296-F327 HydrophobicContact CB-CB 4.46Å; W296-F327 HydrophobicContact CD2-CB 4.13Å; W296-F327 AromaticContact CD2-CD1 3.66Å; W296-F327 HydrophobicContact CD2-CD1 3.66Å; W296-F327 HydrophobicContact CD2-CG 4.3Å; W296-F327 AromaticContact CE2-CD1 3.85Å; W296-F327 AromaticContact CE3-CD1 3.53Å; W296-F327 HydrophobicContact CE3-CD1 3.53Å; W296-F327 HydrophobicContact CE3-CE1 4.12Å; W296-F327 HydrophobicContact CG-CB 3.98Å; W296-F327 HydrophobicContact CG-CD1 4.38Å; W296-F327 AromaticContact CH2-CD1 3.8Å; W296-F327 HydrophobicContact CH2-CD1 3.8Å; W296-F327 AromaticContact CH2-CE1 3.71Å; W296-F327 HydrophobicContact CH2-CE1 3.71Å; W296-F327 AromaticContact CZ2-CD1 3.94Å; W296-F327 HydrophobicContact CZ2-CD1 3.94Å; W296-F327 HydrophobicContact CZ2-CE1 4.15Å; W296-F327 AromaticContact CZ3-CD1 3.6Å; W296-F327 HydrophobicContact CZ3-CD1 3.6Å; W296-F327 AromaticContact CZ3-CE1 3.69Å; W296-F327 HydrophobicContact CZ3-CE1 3.69Å; M306-F327 HydrophobicContact CE-CB 3.93Å; M306-F327 HydrophobicContact CE-CD2 4.13Å; M306-F327 HydrophobicContact CE-CG 3.97Å; M306-F327 HydrophobicContact CG-CD2 3.68Å; M306-F327 HydrophobicContact CG-CE1 4.37Å; M306-F327 HydrophobicContact CG-CE2 3.53Å; M306-F327 HydrophobicContact CG-CG 4.19Å; M306-F327 HydrophobicContact CG-CZ 3.91Å; M306-F327 VanDerWaalsContact O-CZ 3.26Å; M306-F327 WeakPolarHBondContact O-CZ 3.28Å; M306-F327 HydrophobicContact SD-CD2 3.9Å; M306-F327 HydrophobicContact SD-CE2 4.32Å; M306-F327 HydrophobicContact SD-CG 4.36Å; F309-F327 HydrophobicContact CB-CE1 4.11Å; F309-F327 HydrophobicContact CB-CZ 4.44Å; F309-F327 AromaticContact CD1-CE1 3.72Å; F309-F327 HydrophobicContact CD1-CE1 3.72Å; F309-F327 HydrophobicContact CD1-CZ 4.37Å; F309-F327 HydrophobicContact CG-CE1 4.21Å; E310-F327 HydrophobicContact CB-CZ 4.25Å; I325-F327 HydrophobicContact CG2-CD2 4.39Å; I325-F327 HydrophobicContact CG2-CE2 3.86Å; I325-F327 HydrophobicContact CG2-CZ 4.11Å; F327-R335 WeakPolarHBondContact O-CD 3.38Å
328V96.3Very high93Very high0 Ų050 Ų500%026%0.255CS..  trans-139.8169.9-171.9-57.80000113.1L190 V292 V293 N294 K295 W296 V326 Q334 R335 L336 I339L190-V328 HydrophobicContact CD2-CG2 3.9Å; V292-V328 HydrophobicContact CG1-CG2 3.51Å; V293-V328 PolarHBondContact O-N 3.46Å; N294-V328 HydrophobicContact CB-CG2 4.3Å; K295-V328 PolarHBondContact N-O 3.19Å; W296-V328 VanDerWaalsContact CB-O 3.23Å; W296-V328 WeakPolarHBondContact CB-O 3.47Å; W296-V328 PolarHBondContact N-O 3.16Å; V326-V328 HydrophobicContact CG1-CG1 4.28Å; V326-V328 HydrophobicContact CG2-CG1 3.83Å; V328-Q334 WeakPolarHBondContact CA-O 3.34Å; V328-R335 HydrophobicContact CG1-CB 4.23Å; V328-L336 HydrophobicContact CB-CD2 4.03Å; V328-L336 HydrophobicContact CG1-CD2 4.47Å; V328-L336 HydrophobicContact CG2-CD2 4.33Å; V328-I339 HydrophobicContact CG1-CD1 4.35Å
329S96.1Very high93.1Very high0 Ų046.9 Ų46.90%023%0.229CC..  trans-140.5116.7168.91710000110.5D297 I331 T332 K333 Q334D297-S329 WeakPolarHBondContact OD1-CB 3.23Å; D297-S329 PolarHBondContact OD1-OG 3.41Å; S329-I331 PolarHBondContact O-N 2.98Å; S329-I331 PolarHBondContact OG-N 3.28Å; S329-T332 WeakPolarHBondContact CB-OG1 3.13Å; S329-T332 PolarHBondContact OG-N 3.49Å; S329-T332 VanDerWaalsContact OG-N 3.08Å; S329-T332 PolarHBondContact OG-OG1 3.5Å; S329-K333 CarbonylContact O-C 3.42Å; S329-K333 VanDerWaalsContact O-CA 3.28Å; S329-K333 WeakPolarHBondContact O-CA 3.43Å; S329-K333 PolarHBondContact O-N 3.21Å; S329-Q334 PolarHBondContact N-O 3.19Å; S329-Q334 VanDerWaalsContact N-O 3.16Å; S329-Q334 PolarHBondContact O-N 2.89Å
330A92.8Very high93.2Very high13 Ų1347.4 Ų47.411%0.10723%0.234CC..THydrogen-bonded Turntrans-61.2-28.9172.200000113.3L190 N294L190-A330 HydrophobicContact CD2-CB 3.88Å; L190-A330 HydrophobicContact CG-CB 4.12Å; N294-A330 PolarHBondContact OD1-N 2.88Å; N294-A330 VanDerWaalsContact OD1-N 3.1Å
331I92.4Very high93Very high132 Ų13251.8 Ų51.868%0.67726%0.256SS*.THydrogen-bonded Turntrans-82.3-45.6-175.3-60.9175000111.1S329S329-I331 PolarHBondContact O-N 2.98Å; S329-I331 PolarHBondContact OG-N 3.28Å
332T92.7Very high93Very high79 Ų7947.5 Ų47.549%0.48523%0.232SC..THydrogen-bonded Turntrans-92.43-178.264.10000113.3D297 S329 Q334D297-T332 HydrophobicContact CB-CG2 3.85Å; S329-T332 WeakPolarHBondContact CB-OG1 3.13Å; S329-T332 PolarHBondContact OG-N 3.49Å; S329-T332 VanDerWaalsContact OG-N 3.08Å; S329-T332 PolarHBondContact OG-OG1 3.5Å; T332-Q334 PolarHBondContact O-N 3.2Å
333K91.6Very high93.1Very high88 Ų8842.4 Ų42.438%0.38321%0.212SC..  trans54.814.1-170.3-69.1175.1154.7-1180114.8G196 E197 S329 R335 L336G196-K333 PolarHBondContact O-NZ 3.36Å; E197-K333 WeakPolarHBondContact OE1-CD 2.97Å; E197-K333 WeakPolarHBondContact OE1-CE 3.36Å; E197-K333 IonicContact OE1-NZ 3.5Å; E197-K333 PolarHBondContact OE1-NZ 3.22Å; S329-K333 CarbonylContact O-C 3.42Å; S329-K333 VanDerWaalsContact O-CA 3.28Å; S329-K333 WeakPolarHBondContact O-CA 3.43Å; S329-K333 PolarHBondContact O-N 3.21Å; K333-R335 PolarHBondContact O-N 3.19Å; K333-R335 VanDerWaalsContact O-N 3.14Å; K333-L336 HydrophobicContact CB-CD1 4.14Å; K333-L336 HydrophobicContact CG-CD1 4.1Å; K333-L336 PolarHBondContact O-N 2.93Å
334Q91.9Very high92.8Very high80 Ų8045 Ų4537%0.37423%0.225SC..THydrogen-bonded Turntrans-59.5121-176.5177.6166.58200111.3V328 S329 T332 L336V328-Q334 WeakPolarHBondContact CA-O 3.34Å; S329-Q334 PolarHBondContact N-O 3.19Å; S329-Q334 VanDerWaalsContact N-O 3.16Å; S329-Q334 PolarHBondContact O-N 2.89Å; T332-Q334 PolarHBondContact O-N 3.2Å; Q334-L336 PolarHBondContact O-N 3.05Å; Q334-L336 VanDerWaalsContact O-N 3.17Å
335R91.7Very high92.6Very high93 Ų9348.7 Ų48.735%0.35124%0.238SC..THydrogen-bonded Turntrans62.89.3173.6-63.9164.4170.3-166.91116M306 F327 V328 K333 N337 K338M306-R335 VanDerWaalsContact CE-NH1 3.33Å; M306-R335 PolarHBondContact SD-NH1 2.61Å; F327-R335 WeakPolarHBondContact O-CD 3.38Å; V328-R335 HydrophobicContact CG1-CB 4.23Å; K333-R335 PolarHBondContact O-N 3.19Å; K333-R335 VanDerWaalsContact O-N 3.14Å; R335-N337 PolarHBondContact O-N 2.93Å; R335-K338 WeakPolarHBondContact O-CB 3.49Å; R335-K338 PolarHBondContact O-N 3.34Å
336L90.5Very high92.5Very high2 Ų248.3 Ų48.31%0.0124%0.237CC..G310 helixtrans-59.4-34.3178.7-62.8-178.3000112.7L190 A193 V328 K333 Q334 K338 I339L190-L336 HydrophobicContact CD2-CD2 3.57Å; A193-L336 HydrophobicContact CB-CD1 3.41Å; A193-L336 VanDerWaalsContact CB-CD1 3.41Å; V328-L336 HydrophobicContact CB-CD2 4.03Å; V328-L336 HydrophobicContact CG1-CD2 4.47Å; V328-L336 HydrophobicContact CG2-CD2 4.33Å; K333-L336 HydrophobicContact CB-CD1 4.14Å; K333-L336 HydrophobicContact CG-CD1 4.1Å; K333-L336 PolarHBondContact O-N 2.93Å; Q334-L336 PolarHBondContact O-N 3.05Å; Q334-L336 VanDerWaalsContact O-N 3.17Å; L336-K338 PolarHBondContact O-N 3.04Å; L336-I339 HydrophobicContact CD2-CD1 4.01Å; L336-I339 WeakPolarHBondContact O-CB 3.31Å; L336-I339 PolarHBondContact O-N 3.15Å
337N87.4Confident92.2Very high71 Ų7148.5 Ų48.538%0.3824%0.239SC..G310 helixtrans-59.6-13.217676.8-64.4000114.4R335R335-N337 PolarHBondContact O-N 2.93Å
338K89.8Confident91.8Very high106 Ų10654.9 Ų54.946%0.46127%0.27SS..G310 helixtrans-78.4-26.7172.1-70-163.7164.7-148.90113.5V326 R335 L336 M341 M342V326-K338 HydrophobicContact CG2-CB 4.47Å; V326-K338 HydrophobicContact CG2-CD 4.5Å; R335-K338 WeakPolarHBondContact O-CB 3.49Å; R335-K338 PolarHBondContact O-N 3.34Å; L336-K338 PolarHBondContact O-N 3.04Å; K338-M341 PolarHBondContact O-N 2.85Å; K338-M342 HydrophobicContact CB-SD 4.18Å; K338-M342 WeakPolarHBondContact O-CG 3.17Å; K338-M342 PolarHBondContact O-N 2.97Å; K338-M342 VanDerWaalsContact O-N 3.12Å
339I91.6Very high91.5Very high3 Ų359.5 Ų59.52%0.01530%0.295CS..Hα-helixtrans-60.4-46.8-168.3-65173.3000112.3I194 L262 V328 L336 M341 M342 I343I194-I339 HydrophobicContact CD1-CD1 3.93Å; I194-I339 HydrophobicContact CD1-CG2 4.3Å; I194-I339 HydrophobicContact CG1-CD1 4.37Å; L262-I339 HydrophobicContact CD2-CG2 3.71Å; V328-I339 HydrophobicContact CG1-CD1 4.35Å; L336-I339 HydrophobicContact CD2-CD1 4.01Å; L336-I339 WeakPolarHBondContact O-CB 3.31Å; L336-I339 PolarHBondContact O-N 3.15Å; I339-M341 PolarHBondContact O-N 2.78Å; I339-M342 PolarHBondContact O-N 3.12Å; I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.4Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 3.15Å
340P89.5Confident91Very high26 Ų2662.9 Ų62.917%0.16931%0.311CS..Hα-helixtrans-60.8-45.6179.5-24.535.8000113.3F225 M342 I343 E344F225-P340 HydrophobicContact CZ-CB 4.38Å; P340-M342 VanDerWaalsContact C-N 3.28Å; P340-M342 PolarHBondContact O-N 2.84Å; P340-I343 WeakPolarHBondContact O-CB 3.47Å; P340-I343 PolarHBondContact O-N 2.81Å; P340-I343 VanDerWaalsContact O-N 3.12Å; P340-E344 PolarHBondContact O-N 2.86Å
341M88.6Confident90.4Very high93 Ų9367.9 Ų67.946%0.45834%0.336SS..Hα-helixtrans-61.5-35.8177.7-64.5-178.1-67.600112.2K338 I339 E344 E345K338-M341 PolarHBondContact O-N 2.85Å; I339-M341 PolarHBondContact O-N 2.78Å; M341-E344 PolarHBondContact O-N 3.35Å; M341-E345 WeakPolarHBondContact O-CB 3.31Å; M341-E345 PolarHBondContact O-N 2.9Å
342M93.4Very high90Very high23 Ų2365.6 Ų65.611%0.11333%0.325CS..Hα-helixtrans-73.5-30.4176.9-66.7177.566.800112.5I290 P324 V326 K338 I339 P340 V346I290-M342 HydrophobicContact CD1-CB 4.04Å; I290-M342 HydrophobicContact CG2-CE 4.12Å; P324-M342 HydrophobicContact CB-CE 3.67Å; P324-M342 HydrophobicContact CG-CE 3.91Å; V326-M342 HydrophobicContact CB-CE 3.97Å; V326-M342 HydrophobicContact CB-SD 3.87Å; V326-M342 HydrophobicContact CG1-CE 4.32Å; V326-M342 HydrophobicContact CG1-SD 4.26Å; V326-M342 HydrophobicContact CG2-SD 3.96Å; K338-M342 HydrophobicContact CB-SD 4.18Å; K338-M342 WeakPolarHBondContact O-CG 3.17Å; K338-M342 PolarHBondContact O-N 2.97Å; K338-M342 VanDerWaalsContact O-N 3.12Å; I339-M342 PolarHBondContact O-N 3.12Å; P340-M342 VanDerWaalsContact C-N 3.28Å; P340-M342 PolarHBondContact O-N 2.84Å; M342-V346 WeakPolarHBondContact O-CB 3.19Å; M342-V346 VanDerWaalsContact O-CG2 3.28Å; M342-V346 WeakPolarHBondContact O-CG2 3.27Å; M342-V346 PolarHBondContact O-N 2.8Å
343I94Very high89.2Confident1 Ų167.8 Ų67.81%0.00532%0.324CS..Hα-helixtrans-68.3-43.7172-66.7163.2000110.2I175 F177 F225 V260 L262 I290 I339 P340 V346 S347I175-I343 HydrophobicContact CG2-CG2 3.71Å; F177-I343 HydrophobicContact CB-CG2 4.43Å; F177-I343 HydrophobicContact CD1-CD1 4.28Å; F177-I343 HydrophobicContact CD2-CD1 3.66Å; F177-I343 HydrophobicContact CE1-CD1 4.38Å; F177-I343 HydrophobicContact CE2-CD1 3.75Å; F177-I343 HydrophobicContact CG-CD1 3.92Å; F177-I343 HydrophobicContact CZ-CD1 4.12Å; F225-I343 HydrophobicContact CD1-CG2 3.96Å; F225-I343 HydrophobicContact CE1-CB 4.13Å; F225-I343 HydrophobicContact CE1-CG2 3.76Å; V260-I343 HydrophobicContact CB-CG2 4.16Å; V260-I343 HydrophobicContact CG1-CG1 4.35Å; V260-I343 HydrophobicContact CG1-CG2 4.31Å; V260-I343 HydrophobicContact CG2-CG2 4.23Å; L262-I343 HydrophobicContact CD1-CD1 4.1Å; L262-I343 HydrophobicContact CD1-CG1 3.98Å; L262-I343 HydrophobicContact CD2-CD1 4.35Å; I290-I343 HydrophobicContact CD1-CG1 3.83Å; I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.4Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 3.15Å; P340-I343 WeakPolarHBondContact O-CB 3.47Å; P340-I343 PolarHBondContact O-N 2.81Å; P340-I343 VanDerWaalsContact O-N 3.12Å; I343-V346 PolarHBondContact O-N 3.09Å; I343-S347 WeakPolarHBondContact O-CB 3.12Å; I343-S347 PolarHBondContact O-N 3.2Å
344E91.5Very high88.7Confident57 Ų5766.4 Ų66.427%0.26632%0.32SS..Hα-helixtrans-59.8-49.3175.1-169.7176.9176.200111.2N221 P340 M341 S347 M348N221-E344 PolarHBondContact ND2-OE1 2.93Å; N221-E344 PolarHBondContact ND2-OE2 3.14Å; N221-E344 VanDerWaalsContact ND2-OE2 3.09Å; P340-E344 PolarHBondContact O-N 2.86Å; M341-E344 PolarHBondContact O-N 3.35Å; E344-S347 PolarHBondContact O-N 2.92Å; E344-M348 WeakPolarHBondContact O-CB 3.47Å; E344-M348 PolarHBondContact O-N 2.65Å
345E92.5Very high88.1Confident117 Ų11765.1 Ų65.155%0.54732%0.318SS..Hα-helixtrans-60.8-46175.9-179176.9-160.200112.8M341 M348 N349M341-E345 WeakPolarHBondContact O-CB 3.31Å; M341-E345 PolarHBondContact O-N 2.9Å; E345-M348 PolarHBondContact O-N 3.2Å; E345-N349 PolarHBondContact O-N 3.38Å; E345-N349 PolarHBondContact O-ND2 2.85Å
346V94.6Very high87.5Confident18 Ų1861.4 Ų61.411%0.10931%0.307CS..Hα-helixtrans-69.4-40179.6169.10000111.6V260 I290 P324 M342 I343 N349 Q350V260-V346 HydrophobicContact CG1-CB 4.37Å; V260-V346 HydrophobicContact CG1-CG1 4Å; V260-V346 HydrophobicContact CG2-CG1 4.15Å; I290-V346 HydrophobicContact CD1-CB 4.44Å; I290-V346 HydrophobicContact CD1-CG2 4.19Å; I290-V346 HydrophobicContact CG1-CB 4.45Å; I290-V346 HydrophobicContact CG1-CG2 3.92Å; P324-V346 HydrophobicContact CG-CG2 3.87Å; M342-V346 WeakPolarHBondContact O-CB 3.19Å; M342-V346 VanDerWaalsContact O-CG2 3.28Å; M342-V346 WeakPolarHBondContact O-CG2 3.27Å; M342-V346 PolarHBondContact O-N 2.8Å; I343-V346 PolarHBondContact O-N 3.09Å; V346-N349 PolarHBondContact O-N 3.03Å; V346-Q350 VanDerWaalsContact O-CB 3.31Å; V346-Q350 WeakPolarHBondContact O-CB 3.4Å; V346-Q350 PolarHBondContact O-N 3.33Å
347S90.8Very high87.2Confident11 Ų1164 Ų648%0.07733%0.325CS..Hα-helixtrans-63.6-42.4175.1-175.50000111.9I343 E344 N349 Q350 N351I343-S347 WeakPolarHBondContact O-CB 3.12Å; I343-S347 PolarHBondContact O-N 3.2Å; E344-S347 PolarHBondContact O-N 2.92Å; S347-N349 PolarHBondContact O-N 2.93Å; S347-Q350 PolarHBondContact O-N 2.67Å; S347-N351 WeakPolarHBondContact O-CB 3.43Å; S347-N351 PolarHBondContact O-N 2.9Å; S347-N351 PolarHBondContact O-ND2 2.88Å
348M88.8Confident87.2Confident139 Ų13963.8 Ų63.869%0.68533%0.326SS*.Hα-helixtrans-60.3-45174.8-177.5-176.1177.600111.7E344 E345 N351 L352E344-M348 WeakPolarHBondContact O-CB 3.47Å; E344-M348 PolarHBondContact O-N 2.65Å; E345-M348 PolarHBondContact O-N 3.2Å; M348-N351 PolarHBondContact O-N 3.44Å; M348-L352 PolarHBondContact O-N 2.79Å; M348-L352 VanDerWaalsContact O-N 3.16Å
349N89.7Confident87.1Confident98 Ų9860.5 Ų60.552%0.52431%0.313SS..Hα-helixtrans-67.4-37.2178-77.7-64.7000112.6E345 V346 S347 N351 L352E345-N349 PolarHBondContact O-N 3.38Å; E345-N349 PolarHBondContact O-ND2 2.85Å; V346-N349 PolarHBondContact O-N 3.03Å; S347-N349 PolarHBondContact O-N 2.93Å; N349-N351 VanDerWaalsContact C-N 3.33Å; N349-N351 PolarHBondContact O-N 3.16Å; N349-L352 VanDerWaalsContact O-CB 3.3Å; N349-L352 WeakPolarHBondContact O-CB 3.34Å; N349-L352 PolarHBondContact O-N 3.39Å
350Q84.4Confident87Confident70 Ų7061.2 Ų61.233%0.32732%0.317SS..Hα-helixtrans-65.7-34.9176.8-174.9178.81.400112.3D259 V346 S347D259-Q350 PolarHBondContact O-NE2 2.9Å; D259-Q350 PolarHBondContact O-OE1 2.96Å; V346-Q350 VanDerWaalsContact O-CB 3.31Å; V346-Q350 WeakPolarHBondContact O-CB 3.4Å; V346-Q350 PolarHBondContact O-N 3.33Å; S347-Q350 PolarHBondContact O-N 2.67Å
351N81.5Confident87.1Confident118 Ų11864.9 Ų64.963%0.63134%0.335SS*.THydrogen-bonded Turntrans-90.65.4177.3-69.6-71.8000113.7S347 M348 N349 R353S347-N351 WeakPolarHBondContact O-CB 3.43Å; S347-N351 PolarHBondContact O-N 2.9Å; S347-N351 PolarHBondContact O-ND2 2.88Å; M348-N351 PolarHBondContact O-N 3.44Å; N349-N351 VanDerWaalsContact C-N 3.33Å; N349-N351 PolarHBondContact O-N 3.16Å; N351-R353 PolarHBondContact O-N 2.93Å
352L82.8Confident87.3Confident85 Ų8565.2 Ų65.245%0.44534%0.338SS..  trans-69.6114.2-174.2-176.562.6000112.1M348 N349 Q387M348-L352 PolarHBondContact O-N 2.79Å; M348-L352 VanDerWaalsContact O-N 3.16Å; N349-L352 VanDerWaalsContact O-CB 3.3Å; N349-L352 WeakPolarHBondContact O-CB 3.34Å; N349-L352 PolarHBondContact O-N 3.39Å; L352-Q387 PolarHBondContact O-NE2 2.98Å
353R77.8Confident87.1Confident125 Ų12565.9 Ų65.947%0.47234%0.342SS..  trans-82.7113.4173-17271.2-171.5138.9-9.9110.8N351 Q387N351-R353 PolarHBondContact O-N 2.93Å; R353-Q387 VanDerWaalsContact NH1-CB 3.34Å; R353-Q387 PolarHBondContact NH1-O 2.91Å; R353-Q387 PolarHBondContact NH2-O 3.44Å; R353-Q387 VanDerWaalsContact NH2-O 3.15Å
354I79.6Confident86.9Confident59 Ų5970.5 Ų70.530%0.30336%0.364SS..  trans-91.7123.2175.1-56.4179000109S356 V358 L359I354-S356 PolarHBondContact O-N 2.8Å; I354-V358 HydrophobicContact CG2-CB 4.48Å; I354-L359 HydrophobicContact CG2-CB 4.15Å
355P80.5Confident87Confident52 Ų5273 Ų7334%0.33838%0.38SS..  trans-60.3136.1173.7-22.933.9000111.3S357 V358 L359P355-S357 PolarHBondContact O-N 2.96Å; P355-V358 HydrophobicContact CB-CG2 4.25Å; P355-V358 HydrophobicContact CG-CG2 4.42Å; P355-V358 PolarHBondContact O-N 3.35Å; P355-V358 VanDerWaalsContact O-N 3.14Å; P355-L359 PolarHBondContact O-N 2.86Å; P355-L359 VanDerWaalsContact O-N 3.14Å
356S78.7Confident87.1Confident15 Ų1570 Ų7011%0.10538%0.375CS..Hα-helixtrans-63.6-27.2-173.9-45.90000112.9I354 L359 N360 Y384 T386I354-S356 PolarHBondContact O-N 2.8Å; S356-L359 PolarHBondContact O-N 2.9Å; S356-N360 PolarHBondContact O-N 3.27Å; S356-N360 PolarHBondContact O-ND2 3.27Å; S356-Y384 WeakPolarHBondContact CB-OH 3.39Å; S356-T386 PolarHBondContact OG-OG1 3.11Å
357S83.3Confident86.9Confident57 Ų5771.3 Ų71.340%0.39938%0.383SS..Hα-helixtrans-56-59.2170.245.30000111.6P355 L359 N360 D361P355-S357 PolarHBondContact O-N 2.96Å; S357-L359 VanDerWaalsContact C-N 3.27Å; S357-L359 PolarHBondContact O-N 3.4Å; S357-N360 PolarHBondContact O-N 3.27Å; S357-D361 PolarHBondContact O-N 3.14Å
358V88.8Confident86.9Confident67 Ų6774.5 Ų74.541%0.40641%0.41SS..Hα-helixtrans-55.4-41.4179.1-179.70000111.5I354 P355 D361 I362I354-V358 HydrophobicContact CG2-CB 4.48Å; P355-V358 HydrophobicContact CB-CG2 4.25Å; P355-V358 HydrophobicContact CG-CG2 4.42Å; P355-V358 PolarHBondContact O-N 3.35Å; P355-V358 VanDerWaalsContact O-N 3.14Å; V358-D361 PolarHBondContact O-N 3.45Å; V358-I362 HydrophobicContact CG1-CD1 3.94Å; V358-I362 WeakPolarHBondContact O-CD1 3.25Å; V358-I362 VanDerWaalsContact O-CG1 3.26Å; V358-I362 WeakPolarHBondContact O-CG1 3.49Å; V358-I362 PolarHBondContact O-N 2.86Å
359L86.5Confident87.2Confident36 Ų3674.9 Ų74.919%0.18841%0.413CS..Hα-helixtrans-64.6-39.9176.7-178.662.3000112.7I354 P355 S356 S357 I363 A385 Q387I354-L359 HydrophobicContact CG2-CB 4.15Å; P355-L359 PolarHBondContact O-N 2.86Å; P355-L359 VanDerWaalsContact O-N 3.14Å; S356-L359 PolarHBondContact O-N 2.9Å; S357-L359 VanDerWaalsContact C-N 3.27Å; S357-L359 PolarHBondContact O-N 3.4Å; L359-I363 HydrophobicContact CD1-CD1 4.04Å; L359-I363 HydrophobicContact CG-CD1 4.05Å; L359-I363 WeakPolarHBondContact O-CD1 3.49Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.4Å; L359-I363 PolarHBondContact O-N 2.98Å; L359-I363 VanDerWaalsContact O-N 3.17Å; L359-A385 HydrophobicContact CD2-CB 4.16Å; L359-A385 HydrophobicContact CG-CB 4.31Å; L359-Q387 HydrophobicContact CD2-CB 4.4Å; L359-Q387 VanDerWaalsContact CD2-N 3.35Å
360N88.8Confident87.3Confident18 Ų1876.3 Ų76.310%0.09642%0.421CS..Hα-helixtrans-70.6-38.8176.6-78.5-84000111.8S356 S357 I363 M364 Y384 A385S356-N360 PolarHBondContact O-N 3.27Å; S356-N360 PolarHBondContact O-ND2 3.27Å; S357-N360 PolarHBondContact O-N 3.27Å; N360-I363 PolarHBondContact O-N 2.92Å; N360-M364 VanDerWaalsContact O-CG 3.28Å; N360-M364 WeakPolarHBondContact O-CG 3.49Å; N360-M364 PolarHBondContact O-N 2.98Å; N360-Y384 WeakPolarHBondContact ND2-CE2 3.04Å; N360-Y384 WeakPolarHBondContact OD1-CA 3.29Å; N360-Y384 WeakPolarHBondContact OD1-CD2 3.43Å; N360-A385 PolarHBondContact ND2-O 2.96Å; N360-A385 PolarHBondContact OD1-N 2.74Å
361D92.1Very high87.6Confident103 Ų10376.6 Ų76.655%0.55143%0.429SS*.Hα-helixtrans-60-48.3176.5-64.8-30.7000110.8S357 V358 I363 M364 D365S357-D361 PolarHBondContact O-N 3.14Å; V358-D361 PolarHBondContact O-N 3.45Å; D361-I363 VanDerWaalsContact C-N 3.28Å; D361-I363 PolarHBondContact O-N 2.96Å; D361-M364 PolarHBondContact O-N 3.18Å; D361-D365 PolarHBondContact O-N 3.38Å
362I92.5Very high88Confident100 Ų10071.7 Ų71.751%0.51340%0.403SS..Hα-helixtrans-56-41.8174.4-70165.8000111.7V358 A366V358-I362 HydrophobicContact CG1-CD1 3.94Å; V358-I362 WeakPolarHBondContact O-CD1 3.25Å; V358-I362 VanDerWaalsContact O-CG1 3.26Å; V358-I362 WeakPolarHBondContact O-CG1 3.49Å; V358-I362 PolarHBondContact O-N 2.86Å; I362-A366 WeakPolarHBondContact O-CB 3.31Å; I362-A366 PolarHBondContact O-N 2.96Å
363I90.6Very high88.5Confident38 Ų3872.3 Ų72.320%0.19541%0.412CS..Hα-helixtrans-72.5-37.1-179.8-74167.3000111.7L359 N360 D361 A366 V367 I382 A385L359-I363 HydrophobicContact CD1-CD1 4.04Å; L359-I363 HydrophobicContact CG-CD1 4.05Å; L359-I363 WeakPolarHBondContact O-CD1 3.49Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.4Å; L359-I363 PolarHBondContact O-N 2.98Å; L359-I363 VanDerWaalsContact O-N 3.17Å; N360-I363 PolarHBondContact O-N 2.92Å; D361-I363 VanDerWaalsContact C-N 3.28Å; D361-I363 PolarHBondContact O-N 2.96Å; I363-A366 PolarHBondContact O-N 3.37Å; I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 VanDerWaalsContact O-CG2 3.25Å; I363-V367 WeakPolarHBondContact O-CG2 3.47Å; I363-V367 PolarHBondContact O-N 3.06Å; I363-I382 HydrophobicContact CG2-CD1 4.35Å; I363-I382 HydrophobicContact CG2-CG2 3.92Å; I363-A385 HydrophobicContact CD1-CB 3.38Å
364M90.3Very high89.1Confident97 Ų9770 Ų7048%0.47841%0.412SS..Hα-helixtrans-65.5-42.9175.2-69.7-65.9172.900111.1N360 D361 V367 A368N360-M364 VanDerWaalsContact O-CG 3.28Å; N360-M364 WeakPolarHBondContact O-CG 3.49Å; N360-M364 PolarHBondContact O-N 2.98Å; D361-M364 PolarHBondContact O-N 3.18Å; M364-V367 PolarHBondContact O-N 3.4Å; M364-A368 WeakPolarHBondContact O-CB 3.3Å; M364-A368 PolarHBondContact O-N 2.97Å
365D93.4Very high89.3Confident111 Ų11171.8 Ų71.859%0.59442%0.422SS*.Hα-helixtrans-62.9-44.3174-82.6-8.2000111.7D361 V367 A368 I369D361-D365 PolarHBondContact O-N 3.38Å; D365-V367 VanDerWaalsContact C-N 3.32Å; D365-V367 PolarHBondContact O-N 3.03Å; D365-A368 WeakPolarHBondContact O-CB 3.45Å; D365-A368 PolarHBondContact O-N 2.85Å; D365-A368 VanDerWaalsContact O-N 3.16Å; D365-I369 WeakPolarHBondContact O-CG1 3.38Å; D365-I369 PolarHBondContact O-N 3.36Å
366A93.4Very high89.5Confident53 Ų5378 Ų7844%0.43844%0.444SS..Hα-helixtrans-60.1-40.5175.700000112.5I362 I363 I369 N370I362-A366 WeakPolarHBondContact O-CB 3.31Å; I362-A366 PolarHBondContact O-N 2.96Å; I363-A366 PolarHBondContact O-N 3.37Å; A366-I369 PolarHBondContact O-N 3.47Å; A366-N370 PolarHBondContact O-N 2.84Å
367V91.2Very high89.8Confident45 Ų4580.8 Ų80.827%0.27348%0.475SS..Hα-helixtrans-71.9-29.6176.2170.20000112.3I363 M364 D365 N370 P371 T372 I382I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 VanDerWaalsContact O-CG2 3.25Å; I363-V367 WeakPolarHBondContact O-CG2 3.47Å; I363-V367 PolarHBondContact O-N 3.06Å; M364-V367 PolarHBondContact O-N 3.4Å; D365-V367 VanDerWaalsContact C-N 3.32Å; D365-V367 PolarHBondContact O-N 3.03Å; V367-N370 CarbonylContact O-C 3.59Å; V367-P371 WeakPolarHBondContact O-CA 3.32Å; V367-T372 HydrophobicContact CG1-CG2 4.14Å; V367-T372 HydrophobicContact CG2-CG2 3.92Å; V367-I382 HydrophobicContact CG2-CD1 4.05Å
368A91.2Very high89.7Confident79 Ų7986.2 Ų86.265%0.65349%0.491SS*.Hα-helixtrans-70.7-37.517300000112.1M364 D365M364-A368 WeakPolarHBondContact O-CB 3.3Å; M364-A368 PolarHBondContact O-N 2.97Å; D365-A368 WeakPolarHBondContact O-CB 3.45Å; D365-A368 PolarHBondContact O-N 2.85Å; D365-A368 VanDerWaalsContact O-N 3.16Å
369I94.7Very high89.6Confident146 Ų14689.5 Ų89.575%0.74950%0.497SS*.Hα-helixtrans-71.8-45.5175.1-66.5164.6000111.2D365 A366D365-I369 WeakPolarHBondContact O-CG1 3.38Å; D365-I369 PolarHBondContact O-N 3.36Å; A366-I369 PolarHBondContact O-N 3.47Å
370N92.2Very high89.8Confident128 Ų12892.5 Ų92.568%0.68451%0.512SS*.SBendtrans-130.391.9-177.8-171.518.7000111.8A366 V367 T372A366-N370 PolarHBondContact O-N 2.84Å; V367-N370 CarbonylContact O-C 3.59Å; N370-T372 PolarHBondContact O-N 2.76Å
371P89.1Confident89.7Confident76 Ų7698.7 Ų98.749%0.49454%0.538SS..PPolyproline II helixtrans-60.7129-174.3-27.736.4000114.5V367V367-P371 WeakPolarHBondContact O-CA 3.32Å
372T91.5Very high89.4Confident16 Ų1697.4 Ų97.410%0.09853%0.531CS..PPolyproline II helixtrans-50.4148.7-17554.90000115.2V367 N370 R379 L380 I382V367-T372 HydrophobicContact CG1-CG2 4.14Å; V367-T372 HydrophobicContact CG2-CG2 3.92Å; N370-T372 PolarHBondContact O-N 2.76Å; T372-R379 WeakPolarHBondContact O-CG 3.25Å; T372-R379 PolarHBondContact O-NH1 2.86Å; T372-R379 WeakPolarHBondContact OG1-CD 3.28Å; T372-R379 VanDerWaalsContact OG1-CG 3.23Å; T372-R379 WeakPolarHBondContact OG1-CG 3.45Å; T372-L380 WeakPolarHBondContact CB-O 3.37Å; T372-L380 PolarHBondContact OG1-O 3.34Å; T372-I382 HydrophobicContact CG2-CD1 4.2Å
373P91.7Very high89Confident97 Ų97100.6 Ų100.663%0.6354%0.541SS*.PPolyproline II helixtrans-62.9163.1-176.825.7-35.5000113.8R379 L380P373-R379 WeakPolarHBondContact O-CA 3.47Å; P373-L380 HydrophobicContact CG-CD2 4.38Å; P373-L380 PolarHBondContact O-N 2.55Å
374T91.1Very high88.6Confident76 Ų76103.1 Ų103.147%0.46655%0.549SS..EExtended strand (participates in β ladder)trans-129.9118.4-177.7-62.80000110.7K378T374-K378 WeakPolarHBondContact CA-O 3.28Å
375D84.8Confident88.1Confident98 Ų9899.6 Ų99.652%0.52454%0.535SS..EExtended strand (participates in β ladder)trans-107.3134.6170.4176.239.8000109.9G377 K378D375-G377 PolarHBondContact O-N 3.46Å; D375-K378 PolarHBondContact N-O 3.05Å; D375-K378 PolarHBondContact O-N 3.05Å
376K84Confident87.5Confident182 Ų18296.9 Ų96.979%0.79152%0.522SS*.THydrogen-bonded Turntrans45.539.2177.4-65.6151.5-161.71150113.9K378K376-K378 VanDerWaalsContact C-N 3.29Å; K376-K378 PolarHBondContact O-N 2.94Å
377G84.7Confident86.7Confident73 Ų7397.3 Ų97.375%0.75352%0.516SS*.THydrogen-bonded Turntrans77.91.1-179.300000115.8D375D375-G377 PolarHBondContact O-N 3.46Å
378K81.9Confident85.4Confident171 Ų171103.3 Ų103.374%0.74354%0.54SS*.EExtended strand (participates in β ladder)trans-100.5114.8172.8-62.8-175-177.6-179.60109.9T374 D375 K376T374-K378 WeakPolarHBondContact CA-O 3.28Å; D375-K378 PolarHBondContact N-O 3.05Å; D375-K378 PolarHBondContact O-N 3.05Å; K376-K378 VanDerWaalsContact C-N 3.29Å; K376-K378 PolarHBondContact O-N 2.94Å
379R86.2Confident83.5Confident137 Ų137102.8 Ų102.852%0.51753%0.529SS..EExtended strand (participates in β ladder)trans-71.5136.2169.9-171.3178.5-65.3-91.98109.9T372 P373 K381T372-R379 WeakPolarHBondContact O-CG 3.25Å; T372-R379 PolarHBondContact O-NH1 2.86Å; T372-R379 WeakPolarHBondContact OG1-CD 3.28Å; T372-R379 VanDerWaalsContact OG1-CG 3.23Å; T372-R379 WeakPolarHBondContact OG1-CG 3.45Å; P373-R379 WeakPolarHBondContact O-CA 3.47Å; R379-K381 PolarHBondContact O-N 2.86Å
380L89.6Confident80.9Confident99 Ų99104.5 Ų104.552%0.51854%0.54SS..  trans-59.8126.6170.6173.565.6000109.5T372 P373T372-L380 WeakPolarHBondContact CB-O 3.37Å; T372-L380 PolarHBondContact OG1-O 3.34Å; P373-L380 HydrophobicContact CG-CD2 4.38Å; P373-L380 PolarHBondContact O-N 2.55Å
381K86.9Confident78Confident148 Ų148101.2 Ų101.264%0.64353%0.527SS*.  trans-107.3116.1176-67.9-172.6176.6-169.80109.4R379 F383R379-K381 PolarHBondContact O-N 2.86Å; K381-F383 HydrophobicContact CB-CD2 4.25Å; K381-F383 HydrophobicContact CB-CE1 4.16Å; K381-F383 HydrophobicContact CB-CE2 3.71Å; K381-F383 HydrophobicContact CB-CZ 3.67Å; K381-F383 HydrophobicContact CD-CE1 3.95Å; K381-F383 HydrophobicContact CD-CZ 3.72Å; K381-F383 HydrophobicContact CG-CZ 4.35Å
382I87.4Confident75.6Confident76 Ų76103.6 Ų103.639%0.3953%0.53SS..  trans-85.7119.7162.4-56.3171.1000105.4I363 V367 T372I363-I382 HydrophobicContact CG2-CD1 4.35Å; I363-I382 HydrophobicContact CG2-CG2 3.92Å; V367-I382 HydrophobicContact CG2-CD1 4.05Å; T372-I382 HydrophobicContact CG2-CD1 4.2Å
383F83.2Confident72.8Confident167 Ų167111.3 Ų111.373%0.73257%0.567SS**  trans-98-34.8-176.9-68-81.1000112.5K381K381-F383 HydrophobicContact CB-CD2 4.25Å; K381-F383 HydrophobicContact CB-CE1 4.16Å; K381-F383 HydrophobicContact CB-CE2 3.71Å; K381-F383 HydrophobicContact CB-CZ 3.67Å; K381-F383 HydrophobicContact CD-CE1 3.95Å; K381-F383 HydrophobicContact CD-CZ 3.72Å; K381-F383 HydrophobicContact CG-CZ 4.35Å
384Y81.2Confident70.8Confident90 Ų90110 Ų11035%0.35357%0.565SS.*  trans-164152.7-174.7-171.1-109.9000109.1S356 N360 T386 L486S356-Y384 WeakPolarHBondContact CB-OH 3.39Å; N360-Y384 WeakPolarHBondContact ND2-CE2 3.04Å; N360-Y384 WeakPolarHBondContact OD1-CA 3.29Å; N360-Y384 WeakPolarHBondContact OD1-CD2 3.43Å; Y384-T386 HydrophobicContact CE1-CG2 4.41Å; Y384-L486 HydrophobicContact CE1-CD1 4.01Å; Y384-L486 WeakPolarHBondContact OH-CB 3.46Å; Y384-L486 WeakPolarHBondContact OH-CD2 3.36Å
385A80.1Confident69.5Low23 Ų23110.2 Ų110.219%0.1956%0.563CS.*  trans-135.4155.2164.900000110.6L359 N360 I363L359-A385 HydrophobicContact CD2-CB 4.16Å; L359-A385 HydrophobicContact CG-CB 4.31Å; N360-A385 PolarHBondContact ND2-O 2.96Å; N360-A385 PolarHBondContact OD1-N 2.74Å; I363-A385 HydrophobicContact CD1-CB 3.38Å
386T81.5Confident69Low54 Ų54110.5 Ų110.533%0.33156%0.559SS.*  trans-144.3147.6166.4-173.30000107.9S356 Y384 E388S356-T386 PolarHBondContact OG-OG1 3.11Å; Y384-T386 HydrophobicContact CE1-CG2 4.41Å; T386-E388 PolarHBondContact O-N 3.31Å
387Q75.6Confident68.5Low63 Ų63104.1 Ų104.129%0.29454%0.54SS..  trans-70.5112162.9179.8-167.137.700105.8L352 R353 L359L352-Q387 PolarHBondContact O-NE2 2.98Å; R353-Q387 VanDerWaalsContact NH1-CB 3.34Å; R353-Q387 PolarHBondContact NH1-O 2.91Å; R353-Q387 PolarHBondContact NH2-O 3.44Å; R353-Q387 VanDerWaalsContact NH2-O 3.15Å; L359-Q387 HydrophobicContact CD2-CB 4.4Å; L359-Q387 VanDerWaalsContact CD2-N 3.35Å
388E64.4Low67.6Low170 Ų170102.4 Ų102.479%0.79451%0.513SS*.  trans-66.2141.2164.9-65.1-168.7158.400108.2T386T386-E388 PolarHBondContact O-N 3.31Å
389V51.8Low67.5Low68 Ų6897.2 Ų97.241%0.41249%0.493SS..  trans-98.5132.6176.1-165.40000106.8S391V389-S391 WeakPolarHBondContact CB-O 3.48Å; V389-S391 VanDerWaalsContact CG1-OG 3.25Å; V389-S391 WeakPolarHBondContact CG1-OG 3.31Å; V389-S391 PolarHBondContact O-N 3.38Å
390N40.8Very low67.4Low182 Ų18291.1 Ų91.197%0.97347%0.471SS*.SBendtrans-77.432.7169.4-84.3-12.1000112.4
391S30.7Very low66.8Low60 Ų6090.6 Ų90.642%0.4247%0.466SS..SBendtrans-147.8155.5167.466.20000108.4V389V389-S391 WeakPolarHBondContact CB-O 3.48Å; V389-S391 VanDerWaalsContact CG1-OG 3.25Å; V389-S391 WeakPolarHBondContact CG1-OG 3.31Å; V389-S391 PolarHBondContact O-N 3.38Å
392F38.2Very low66.5Low126 Ų12688.8 Ų88.855%0.55346%0.458SS*.  trans61.245.7-172.9-58.9-69.7000116.2A394 E398F392-A394 VanDerWaalsContact C-N 3.35Å; F392-A394 PolarHBondContact O-N 3.46Å; F392-E398 WeakPolarHBondContact CA-OE2 3.36Å; F392-E398 HydrophobicContact CD1-CG 4.5Å; F392-E398 WeakPolarHBondContact CD1-OE2 3.27Å; F392-E398 HydrophobicContact CE1-CB 4.37Å; F392-E398 HydrophobicContact CE1-CG 4.18Å; F392-E398 WeakPolarHBondContact CE1-OE2 3.4Å
393M34Very low66.4Low177 Ų17787.1 Ų87.187%0.87245%0.451SS*.SBend-69.2109.3119.4-114.3-156.6-177.400105.5N395M393-N395 PolarHBondContact O-N 3.02Å
394A48.1Very low66.5Low71 Ų7180.4 Ų80.459%0.58743%0.426SS*.  trans-62.881.3179.700000110.5F392 E398F392-A394 VanDerWaalsContact C-N 3.35Å; F392-A394 PolarHBondContact O-N 3.46Å; A394-E398 VanDerWaalsContact CA-OE2 3.28Å; A394-E398 WeakPolarHBondContact CA-OE2 3.31Å
395N63.5Low66.5Low80 Ų8080.5 Ų80.543%0.42845%0.445SS..  trans-69172.6-179.874.644.7000109.4M393 A397 E398 L399M393-N395 PolarHBondContact O-N 3.02Å; N395-A397 PolarHBondContact O-N 3.39Å; N395-A397 WeakPolarHBondContact OD1-CA 3.35Å; N395-A397 WeakPolarHBondContact OD1-CB 3.22Å; N395-A397 PolarHBondContact OD1-N 3.44Å; N395-E398 PolarHBondContact O-N 3.46Å; N395-E398 PolarHBondContact OD1-N 3.44Å; N395-L399 WeakPolarHBondContact O-CB 3.16Å; N395-L399 PolarHBondContact O-N 2.88Å
396K75.5Confident66.6Low103 Ų10383.5 Ų83.545%0.44847%0.471SS..Hα-helixtrans-56.9-38.8-175.8-165.6-174.6176.2-165.90112.4I400 D419K396-I400 HydrophobicContact CG-CD1 4.06Å; K396-I400 WeakPolarHBondContact O-CB 3.44Å; K396-I400 VanDerWaalsContact O-CD1 3.27Å; K396-I400 WeakPolarHBondContact O-CD1 3.34Å; K396-I400 WeakPolarHBondContact O-CG1 3.34Å; K396-I400 PolarHBondContact O-N 3.34Å; K396-D419 WeakPolarHBondContact CE-OD1 3.43Å; K396-D419 IonicContact NZ-OD1 3.05Å; K396-D419 PolarHBondContact NZ-OD1 3.01Å; K396-D419 IonicContact NZ-OD2 2.84Å; K396-D419 PolarHBondContact NZ-OD2 3.08Å
397A72.3Confident66.7Low48 Ų4883.9 Ų83.940%0.39747%0.473SS..Hα-helixtrans-71.9-47.9179.200000112.4N395 L399 I400 E401N395-A397 PolarHBondContact O-N 3.39Å; N395-A397 WeakPolarHBondContact OD1-CA 3.35Å; N395-A397 WeakPolarHBondContact OD1-CB 3.22Å; N395-A397 PolarHBondContact OD1-N 3.44Å; A397-L399 PolarHBondContact O-N 3.5Å; A397-I400 CarbonylContact O-C 3.58Å; A397-I400 WeakPolarHBondContact O-CA 3.34Å; A397-I400 WeakPolarHBondContact O-CB 3.27Å; A397-I400 PolarHBondContact O-N 3.13Å; A397-E401 WeakPolarHBondContact O-CG 3.44Å; A397-E401 PolarHBondContact O-N 3.32Å
398E67.9Low67.3Low37 Ų3789.6 Ų89.617%0.17351%0.506CS..Hα-helixtrans-59.5-35.3176.6-69.2179.9-17700112.2F392 A394 N395 K402F392-E398 WeakPolarHBondContact CA-OE2 3.36Å; F392-E398 HydrophobicContact CD1-CG 4.5Å; F392-E398 WeakPolarHBondContact CD1-OE2 3.27Å; F392-E398 HydrophobicContact CE1-CB 4.37Å; F392-E398 HydrophobicContact CE1-CG 4.18Å; F392-E398 WeakPolarHBondContact CE1-OE2 3.4Å; A394-E398 VanDerWaalsContact CA-OE2 3.28Å; A394-E398 WeakPolarHBondContact CA-OE2 3.31Å; N395-E398 PolarHBondContact O-N 3.46Å; N395-E398 PolarHBondContact OD1-N 3.44Å; E398-K402 WeakPolarHBondContact O-CB 3.43Å; E398-K402 WeakPolarHBondContact O-CG 3.37Å; E398-K402 PolarHBondContact O-N 3.49Å
399L79Confident68.4Low62 Ų6284.9 Ų84.933%0.32549%0.485SS..Hα-helixtrans-69.3-42.4173.7-18060.7000111.7N395 A397 E401 K402 V403 V418 F422N395-L399 WeakPolarHBondContact O-CB 3.16Å; N395-L399 PolarHBondContact O-N 2.88Å; A397-L399 PolarHBondContact O-N 3.5Å; L399-E401 VanDerWaalsContact C-N 3.33Å; L399-E401 PolarHBondContact O-N 3.06Å; L399-K402 PolarHBondContact O-N 3.1Å; L399-V403 HydrophobicContact CD1-CG2 4.46Å; L399-V403 WeakPolarHBondContact O-CB 3.29Å; L399-V403 VanDerWaalsContact O-CG2 3.29Å; L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 2.82Å; L399-V418 HydrophobicContact CD2-CG1 4.02Å; L399-V418 HydrophobicContact CG-CG1 4.39Å; L399-V418 HydrophobicContact CG-CG2 4.41Å; L399-F422 HydrophobicContact CD2-CE2 3.83Å; L399-F422 HydrophobicContact CD2-CZ 3.78Å
400I84.1Confident70.2Confident10 Ų1085.5 Ų85.55%0.05149%0.489CS..Hα-helixtrans-60.5-42.7174.9-75.1163.4000111K396 A397 V403 A404 K411 A414 T415 V418K396-I400 HydrophobicContact CG-CD1 4.06Å; K396-I400 WeakPolarHBondContact O-CB 3.44Å; K396-I400 VanDerWaalsContact O-CD1 3.27Å; K396-I400 WeakPolarHBondContact O-CD1 3.34Å; K396-I400 WeakPolarHBondContact O-CG1 3.34Å; K396-I400 PolarHBondContact O-N 3.34Å; A397-I400 CarbonylContact O-C 3.58Å; A397-I400 WeakPolarHBondContact O-CA 3.34Å; A397-I400 WeakPolarHBondContact O-CB 3.27Å; A397-I400 PolarHBondContact O-N 3.13Å; I400-V403 PolarHBondContact O-N 2.82Å; I400-A404 WeakPolarHBondContact O-CB 3.42Å; I400-A404 PolarHBondContact O-N 3.4Å; I400-K411 HydrophobicContact CG2-CG 4.1Å; I400-K411 WeakPolarHBondContact CG2-O 3.25Å; I400-A414 HydrophobicContact CG2-CB 4.01Å; I400-T415 HydrophobicContact CD1-CG2 3.87Å; I400-V418 HydrophobicContact CG1-CB 3.81Å; I400-V418 HydrophobicContact CG1-CG1 4Å; I400-V418 HydrophobicContact CG1-CG2 3.88Å
401E77.6Confident72.3Confident88 Ų8880 Ų8041%0.41146%0.457SS..Hα-helixtrans-67.9-43.3178.3-72.9174.5171.300111.9A397 L399 V403 A404 A405 K411A397-E401 WeakPolarHBondContact O-CG 3.44Å; A397-E401 PolarHBondContact O-N 3.32Å; L399-E401 VanDerWaalsContact C-N 3.33Å; L399-E401 PolarHBondContact O-N 3.06Å; E401-V403 VanDerWaalsContact C-N 3.27Å; E401-V403 PolarHBondContact O-N 3.46Å; E401-A404 CarbonylContact O-C 3.59Å; E401-A404 PolarHBondContact O-N 3.1Å; E401-A404 VanDerWaalsContact O-N 3.16Å; E401-A405 WeakPolarHBondContact O-CB 3.26Å; E401-A405 PolarHBondContact O-N 3.25Å; E401-K411 WeakPolarHBondContact OE1-CE 3.27Å; E401-K411 IonicContact OE1-NZ 3.6Å; E401-K411 PolarHBondContact OE1-NZ 2.9Å
402K79.1Confident75.1Confident110 Ų11085.1 Ų85.148%0.47847%0.471SS..Hα-helixtrans-64.6-31.1173.7-74.5176180174.80112.5E398 L399 A406E398-K402 WeakPolarHBondContact O-CB 3.43Å; E398-K402 WeakPolarHBondContact O-CG 3.37Å; E398-K402 PolarHBondContact O-N 3.49Å; L399-K402 PolarHBondContact O-N 3.1Å; K402-A406 WeakPolarHBondContact O-CB 3.33Å; K402-A406 PolarHBondContact O-N 2.98Å
403V85.2Confident77.6Confident40 Ų4082.7 Ų82.724%0.24246%0.464CS..Hα-helixtrans-69.8-44.7169.8168.90000111.3L399 I400 E401 A405 A406 T407 L409 A414 V418L399-V403 HydrophobicContact CD1-CG2 4.46Å; L399-V403 WeakPolarHBondContact O-CB 3.29Å; L399-V403 VanDerWaalsContact O-CG2 3.29Å; L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 2.82Å; I400-V403 PolarHBondContact O-N 2.82Å; E401-V403 VanDerWaalsContact C-N 3.27Å; E401-V403 PolarHBondContact O-N 3.46Å; V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.26Å; V403-A406 PolarHBondContact O-N 2.71Å; V403-T407 WeakPolarHBondContact O-CB 3.26Å; V403-T407 PolarHBondContact O-N 3.13Å; V403-T407 PolarHBondContact O-OG1 3.24Å; V403-L409 HydrophobicContact CG1-CD1 4.43Å; V403-A414 HydrophobicContact CB-CB 4.34Å; V403-A414 HydrophobicContact CG1-CB 3.89Å; V403-V418 HydrophobicContact CB-CG2 4.35Å; V403-V418 HydrophobicContact CG2-CG2 3.98Å
404A86.6Confident80.2Confident27 Ų2774.3 Ų74.322%0.22342%0.423CS..Hα-helixtrans-69.8-17.4178.200000114.2I400 E401 T407 A414I400-A404 WeakPolarHBondContact O-CB 3.42Å; I400-A404 PolarHBondContact O-N 3.4Å; E401-A404 CarbonylContact O-C 3.59Å; E401-A404 PolarHBondContact O-N 3.1Å; E401-A404 VanDerWaalsContact O-N 3.16Å; A404-T407 CarbonylContact C-O 3.52Å; A404-A414 HydrophobicContact CB-CB 3.76Å
405A81Confident82.2Confident91 Ų9173.2 Ų73.275%0.75241%0.409SS*.Hα-helixtrans-95.1-29.9173.100000112.8E401 V403 T407E401-A405 WeakPolarHBondContact O-CB 3.26Å; E401-A405 PolarHBondContact O-N 3.25Å; V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.26Å; A405-T407 VanDerWaalsContact C-N 3.34Å
406A82.5Confident83.5Confident87 Ų8772.3 Ų72.372%0.71941%0.413SS*.Hα-helixtrans-87-0.6175.600000113.9K402 V403K402-A406 WeakPolarHBondContact O-CB 3.33Å; K402-A406 PolarHBondContact O-N 2.98Å; V403-A406 PolarHBondContact O-N 2.71Å
407T83.9Confident84.3Confident62 Ų6269.5 Ų69.538%0.3841%0.409SS..SBendtrans-143.3155.117766.50000109.8V403 A404 A405 L409V403-T407 WeakPolarHBondContact O-CB 3.26Å; V403-T407 PolarHBondContact O-N 3.13Å; V403-T407 PolarHBondContact O-OG1 3.24Å; A404-T407 CarbonylContact C-O 3.52Å; A405-T407 VanDerWaalsContact C-N 3.34Å; T407-L409 PolarHBondContact O-N 3.11Å; T407-L409 WeakPolarHBondContact OG1-CB 3.25Å; T407-L409 WeakPolarHBondContact OG1-CD1 3.4Å; T407-L409 VanDerWaalsContact OG1-CG 3.29Å; T407-L409 WeakPolarHBondContact OG1-CG 3.5Å
408D86.5Confident85.2Confident183 Ų18367.7 Ų67.798%0.97939%0.393SS*.SBendtrans-75.433.1174.6-55.9-70.1000113.4
409L87.8Confident86.3Confident71 Ų7168.8 Ų68.837%0.37240%0.4SS..  trans-88145.8179.1-68.3179.6000111.4V403 T407 D413 A414V403-L409 HydrophobicContact CG1-CD1 4.43Å; T407-L409 PolarHBondContact O-N 3.11Å; T407-L409 WeakPolarHBondContact OG1-CB 3.25Å; T407-L409 WeakPolarHBondContact OG1-CD1 3.4Å; T407-L409 VanDerWaalsContact OG1-CG 3.29Å; T407-L409 WeakPolarHBondContact OG1-CG 3.5Å; L409-D413 HydrophobicContact CB-CB 4.35Å; L409-D413 HydrophobicContact CD2-CB 4.16Å; L409-A414 HydrophobicContact CB-CB 4.39Å
410T90.1Very high86.9Confident80 Ų8068.4 Ų68.449%0.49141%0.405SS..  trans-67.5152.5166.179.90000109.7K412 D413 A414T410-K412 PolarHBondContact O-N 2.83Å; T410-D413 WeakPolarHBondContact CB-OD2 3.39Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.39Å; T410-D413 PolarHBondContact O-N 2.74Å; T410-D413 VanDerWaalsContact OG1-CG 3.24Å; T410-D413 PolarHBondContact OG1-N 2.85Å; T410-D413 PolarHBondContact OG1-OD2 3.44Å; T410-A414 PolarHBondContact O-N 3.27Å
411K84.1Confident87.3Confident68 Ų6871.9 Ų71.930%0.29643%0.427SS..Hα-helixtrans-49.8-37.8176.9-166.7173.9-174.2178.80112.1E168 I400 E401 A414 T415E168-K411 WeakPolarHBondContact OE1-CE 3.36Å; E168-K411 IonicContact OE1-NZ 2.67Å; E168-K411 PolarHBondContact OE1-NZ 3.02Å; E168-K411 IonicContact OE2-NZ 3.66Å; E168-K411 PolarHBondContact OE2-NZ 3.07Å; I400-K411 HydrophobicContact CG2-CG 4.1Å; I400-K411 WeakPolarHBondContact CG2-O 3.25Å; E401-K411 WeakPolarHBondContact OE1-CE 3.27Å; E401-K411 IonicContact OE1-NZ 3.6Å; E401-K411 PolarHBondContact OE1-NZ 2.9Å; K411-A414 PolarHBondContact O-N 3.44Å; K411-T415 PolarHBondContact O-N 2.87Å; K411-T415 PolarHBondContact O-OG1 2.81Å
412K89.3Confident87.9Confident166 Ų16671.7 Ų71.772%0.72243%0.425SS*.Hα-helixtrans-65.5-42.3175.1-179.1-173.3174-171.40113.7T410 T415 A416T410-K412 PolarHBondContact O-N 2.83Å; K412-T415 WeakPolarHBondContact O-CB 3.4Å; K412-T415 PolarHBondContact O-N 2.98Å; K412-A416 PolarHBondContact O-N 3.43Å
413D91.1Very high88.5Confident76 Ų7669 Ų6941%0.40642%0.42SS..Hα-helixtrans-73.7-33.5179.2-56.6-51.6000110.7L409 T410 A416 A417L409-D413 HydrophobicContact CB-CB 4.35Å; L409-D413 HydrophobicContact CD2-CB 4.16Å; T410-D413 WeakPolarHBondContact CB-OD2 3.39Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.39Å; T410-D413 PolarHBondContact O-N 2.74Å; T410-D413 VanDerWaalsContact OG1-CG 3.24Å; T410-D413 PolarHBondContact OG1-N 2.85Å; T410-D413 PolarHBondContact OG1-OD2 3.44Å; D413-A416 PolarHBondContact O-N 2.97Å; D413-A417 WeakPolarHBondContact O-CB 3.4Å; D413-A417 PolarHBondContact O-N 3.17Å
414A90.1Very high88.8Confident0 Ų071.7 Ų71.70%044%0.437CS..Hα-helixtrans-63.6-41.3168.700000112I400 V403 A404 L409 T410 K411 A417 V418I400-A414 HydrophobicContact CG2-CB 4.01Å; V403-A414 HydrophobicContact CB-CB 4.34Å; V403-A414 HydrophobicContact CG1-CB 3.89Å; A404-A414 HydrophobicContact CB-CB 3.76Å; L409-A414 HydrophobicContact CB-CB 4.39Å; T410-A414 PolarHBondContact O-N 3.27Å; K411-A414 PolarHBondContact O-N 3.44Å; A414-A417 PolarHBondContact O-N 3.08Å; A414-V418 WeakPolarHBondContact O-CB 3.38Å; A414-V418 WeakPolarHBondContact O-CG2 3.46Å; A414-V418 PolarHBondContact O-N 3.34Å
415T90Very high89Confident48 Ų4871.3 Ų71.329%0.29443%0.431SS..Hα-helixtrans-54.2-54.9168.4-52.70000110.6I400 K411 K412 A417 V418 D419I400-T415 HydrophobicContact CD1-CG2 3.87Å; K411-T415 PolarHBondContact O-N 2.87Å; K411-T415 PolarHBondContact O-OG1 2.81Å; K412-T415 WeakPolarHBondContact O-CB 3.4Å; K412-T415 PolarHBondContact O-N 2.98Å; T415-A417 VanDerWaalsContact C-N 3.27Å; T415-A417 PolarHBondContact O-N 3.04Å; T415-V418 PolarHBondContact O-N 3.03Å; T415-D419 WeakPolarHBondContact O-CB 3.37Å; T415-D419 PolarHBondContact O-N 3.12Å
416A90.8Very high89.5Confident62 Ų6273.3 Ų73.351%0.51242%0.424SS..Hα-helixtrans-59.5-36.3-17800000113.1K412 D413 A420K412-A416 PolarHBondContact O-N 3.43Å; D413-A416 PolarHBondContact O-N 2.97Å; A416-A420 WeakPolarHBondContact O-CB 3.21Å; A416-A420 PolarHBondContact O-N 3.4Å; A416-A420 VanDerWaalsContact O-N 3.15Å
417A90.6Very high89.9Confident43 Ų4373.5 Ų73.536%0.35541%0.413SS..Hα-helixtrans-69.8-46.1176.300000112.8D413 A414 T415 A420 V421D413-A417 WeakPolarHBondContact O-CB 3.4Å; D413-A417 PolarHBondContact O-N 3.17Å; A414-A417 PolarHBondContact O-N 3.08Å; T415-A417 VanDerWaalsContact C-N 3.27Å; T415-A417 PolarHBondContact O-N 3.04Å; A417-A420 PolarHBondContact O-N 3.47Å; A417-V421 WeakPolarHBondContact O-CG2 3.44Å; A417-V421 PolarHBondContact O-N 2.67Å; A417-V421 VanDerWaalsContact O-N 3.14Å
418V91.3Very high90.3Very high10 Ų1071.4 Ų71.46%0.06140%0.402CS..Hα-helixtrans-65.4-42.6178.7170.20000111L399 I400 V403 A414 T415 A420 V421 F422L399-V418 HydrophobicContact CD2-CG1 4.02Å; L399-V418 HydrophobicContact CG-CG1 4.39Å; L399-V418 HydrophobicContact CG-CG2 4.41Å; I400-V418 HydrophobicContact CG1-CB 3.81Å; I400-V418 HydrophobicContact CG1-CG1 4Å; I400-V418 HydrophobicContact CG1-CG2 3.88Å; V403-V418 HydrophobicContact CB-CG2 4.35Å; V403-V418 HydrophobicContact CG2-CG2 3.98Å; A414-V418 WeakPolarHBondContact O-CB 3.38Å; A414-V418 WeakPolarHBondContact O-CG2 3.46Å; A414-V418 PolarHBondContact O-N 3.34Å; T415-V418 PolarHBondContact O-N 3.03Å; V418-A420 PolarHBondContact O-N 2.96Å; V418-V421 PolarHBondContact O-N 2.98Å; V418-F422 HydrophobicContact CG1-CD2 3.67Å; V418-F422 HydrophobicContact CG1-CE2 3.47Å; V418-F422 VanDerWaalsContact CG1-CE2 3.47Å; V418-F422 WeakPolarHBondContact O-CD2 3.46Å; V418-F422 PolarHBondContact O-N 3.17Å
419D91.1Very high90.5Very high60 Ų6064 Ų6432%0.32136%0.363SS..Hα-helixtrans-60.6-44.4176.1-77.342.2000112K396 T415 V421 F422 S423K396-D419 WeakPolarHBondContact CE-OD1 3.43Å; K396-D419 IonicContact NZ-OD1 3.05Å; K396-D419 PolarHBondContact NZ-OD1 3.01Å; K396-D419 IonicContact NZ-OD2 2.84Å; K396-D419 PolarHBondContact NZ-OD2 3.08Å; T415-D419 WeakPolarHBondContact O-CB 3.37Å; T415-D419 PolarHBondContact O-N 3.12Å; D419-V421 VanDerWaalsContact C-N 3.35Å; D419-V421 PolarHBondContact O-N 2.92Å; D419-F422 PolarHBondContact O-N 2.74Å; D419-S423 PolarHBondContact O-N 3.36Å
420A93.3Very high90.5Very high54 Ų5464.9 Ų64.945%0.44638%0.38SS..Hα-helixtrans-63.4-38.6177.400000112.6A416 A417 V418 T424A416-A420 WeakPolarHBondContact O-CB 3.21Å; A416-A420 PolarHBondContact O-N 3.4Å; A416-A420 VanDerWaalsContact O-N 3.15Å; A417-A420 PolarHBondContact O-N 3.47Å; V418-A420 PolarHBondContact O-N 2.96Å; A420-T424 WeakPolarHBondContact O-CB 3.35Å; A420-T424 PolarHBondContact O-N 3.12Å; A420-T424 PolarHBondContact O-OG1 3.21Å
421V91.6Very high90.5Very high84 Ų8468.6 Ų68.651%0.50939%0.392SS..Hα-helixtrans-63.8-46.4174.3170.10000110.8A417 V418 D419 T424 I425A417-V421 WeakPolarHBondContact O-CG2 3.44Å; A417-V421 PolarHBondContact O-N 2.67Å; A417-V421 VanDerWaalsContact O-N 3.14Å; V418-V421 PolarHBondContact O-N 2.98Å; D419-V421 VanDerWaalsContact C-N 3.35Å; D419-V421 PolarHBondContact O-N 2.92Å; V421-T424 PolarHBondContact O-N 3.05Å; V421-I425 HydrophobicContact CG1-CD1 3.91Å; V421-I425 VanDerWaalsContact O-CG1 3.32Å; V421-I425 WeakPolarHBondContact O-CG1 3.18Å; V421-I425 PolarHBondContact O-N 2.9Å; V421-I425 VanDerWaalsContact O-N 3.14Å
422F90.7Very high90.7Very high83 Ų8367.5 Ų67.536%0.36440%0.4SS..Hα-helixtrans-67.1-41.8179.4-76.9-57.5000113.1L399 V418 D419 I425 Q426L399-F422 HydrophobicContact CD2-CE2 3.83Å; L399-F422 HydrophobicContact CD2-CZ 3.78Å; V418-F422 HydrophobicContact CG1-CD2 3.67Å; V418-F422 HydrophobicContact CG1-CE2 3.47Å; V418-F422 VanDerWaalsContact CG1-CE2 3.47Å; V418-F422 WeakPolarHBondContact O-CD2 3.46Å; V418-F422 PolarHBondContact O-N 3.17Å; D419-F422 PolarHBondContact O-N 2.74Å; F422-I425 PolarHBondContact O-N 2.8Å; F422-Q426 VanDerWaalsContact O-CG 3.3Å; F422-Q426 WeakPolarHBondContact O-CG 3.39Å; F422-Q426 PolarHBondContact O-N 2.98Å
423S91.1Very high90.7Very high54 Ų5465.4 Ų65.438%0.37839%0.393SS..Hα-helixtrans-57-52.1173.6-166.30000110.4D419 I425 Q426 D427D419-S423 PolarHBondContact O-N 3.36Å; S423-I425 PolarHBondContact O-N 3.39Å; S423-I425 VanDerWaalsContact O-N 3.11Å; S423-Q426 CarbonylContact O-C 3.52Å; S423-Q426 WeakPolarHBondContact O-CA 3.29Å; S423-Q426 WeakPolarHBondContact O-CB 3.45Å; S423-Q426 PolarHBondContact O-N 2.86Å; S423-D427 VanDerWaalsContact C-OD2 3.22Å; S423-D427 WeakPolarHBondContact O-CB 3.39Å; S423-D427 VanDerWaalsContact O-CG 3.25Å; S423-D427 PolarHBondContact O-N 3.31Å; S423-D427 PolarHBondContact OG-OD2 3.07Å
424T91.9Very high90.7Very high96 Ų9667 Ų6759%0.58940%0.396SS*.Hα-helixtrans-56-36-179.2-54.20000112.5A420 V421 A428A420-T424 WeakPolarHBondContact O-CB 3.35Å; A420-T424 PolarHBondContact O-N 3.12Å; A420-T424 PolarHBondContact O-OG1 3.21Å; V421-T424 PolarHBondContact O-N 3.05Å; T424-A428 WeakPolarHBondContact O-CB 3.48Å; T424-A428 PolarHBondContact O-N 3.37Å
425I90.9Very high90.8Very high20 Ų2068.2 Ų68.210%0.10340%0.403CS..Hα-helixtrans-71.8-41.6175.2-65.5164.9000111.4V421 F422 S423 L429 V435 L437 F443V421-I425 HydrophobicContact CG1-CD1 3.91Å; V421-I425 VanDerWaalsContact O-CG1 3.32Å; V421-I425 WeakPolarHBondContact O-CG1 3.18Å; V421-I425 PolarHBondContact O-N 2.9Å; V421-I425 VanDerWaalsContact O-N 3.14Å; F422-I425 PolarHBondContact O-N 2.8Å; S423-I425 PolarHBondContact O-N 3.39Å; S423-I425 VanDerWaalsContact O-N 3.11Å; I425-L429 HydrophobicContact CG2-CD1 3.82Å; I425-L429 WeakPolarHBondContact O-CB 3.5Å; I425-L429 WeakPolarHBondContact O-CD1 3.47Å; I425-L429 WeakPolarHBondContact O-CG 3.2Å; I425-L429 PolarHBondContact O-N 3.37Å; I425-V435 HydrophobicContact CG1-CG1 4.31Å; I425-L437 HydrophobicContact CD1-CD1 4.44Å; I425-F443 HydrophobicContact CD1-CE2 4.32Å; I425-F443 HydrophobicContact CG2-CD2 4.16Å; I425-F443 HydrophobicContact CG2-CE2 4.44Å; I425-F443 HydrophobicContact CG2-CG 4.22Å
426Q90.1Very high90.8Very high132 Ų13272.1 Ų72.162%0.61742%0.418SS*.Hα-helixtrans-67-47.1179.1-71.7173.45.400112.1F422 S423 L429 A430F422-Q426 VanDerWaalsContact O-CG 3.3Å; F422-Q426 WeakPolarHBondContact O-CG 3.39Å; F422-Q426 PolarHBondContact O-N 2.98Å; S423-Q426 CarbonylContact O-C 3.52Å; S423-Q426 WeakPolarHBondContact O-CA 3.29Å; S423-Q426 WeakPolarHBondContact O-CB 3.45Å; S423-Q426 PolarHBondContact O-N 2.86Å; Q426-L429 PolarHBondContact O-N 2.68Å; Q426-A430 WeakPolarHBondContact O-CB 3.47Å; Q426-A430 PolarHBondContact O-N 2.93Å
427D91.9Very high90.6Very high91 Ų9172.3 Ų72.349%0.48741%0.411SS..Hα-helixtrans-59.2-50.3-179.8-65.1-47.2000110.7S423 L429 A430 E431S423-D427 VanDerWaalsContact C-OD2 3.22Å; S423-D427 WeakPolarHBondContact O-CB 3.39Å; S423-D427 VanDerWaalsContact O-CG 3.25Å; S423-D427 PolarHBondContact O-N 3.31Å; S423-D427 PolarHBondContact OG-OD2 3.07Å; D427-L429 VanDerWaalsContact C-N 3.34Å; D427-L429 PolarHBondContact O-N 3.39Å; D427-A430 WeakPolarHBondContact O-CB 3.37Å; D427-A430 PolarHBondContact O-N 2.87Å; D427-A430 VanDerWaalsContact O-N 3.12Å; D427-E431 PolarHBondContact O-N 3.23Å; D427-E431 VanDerWaalsContact O-N 3.07Å
428A91.3Very high90.1Very high18 Ų1878 Ų7815%0.14943%0.433CS..Hα-helixtrans-61.3-38.6176.700000112.9T424 G432 E433 V435T424-A428 WeakPolarHBondContact O-CB 3.48Å; T424-A428 PolarHBondContact O-N 3.37Å; A428-G432 PolarHBondContact O-N 3.17Å; A428-E433 HydrophobicContact CB-CB 4.37Å; A428-E433 WeakPolarHBondContact O-CB 3.28Å; A428-E433 PolarHBondContact O-N 3.12Å; A428-V435 HydrophobicContact CB-CG2 3.6Å
429L90.7Very high89.1Confident28 Ų2879.7 Ų79.715%0.14745%0.453CS..Hα-helixtrans-72-28.6175.7-70.5167.5000112.7I425 Q426 D427 G432 F443 V445 P470I425-L429 HydrophobicContact CG2-CD1 3.82Å; I425-L429 WeakPolarHBondContact O-CB 3.5Å; I425-L429 WeakPolarHBondContact O-CD1 3.47Å; I425-L429 WeakPolarHBondContact O-CG 3.2Å; I425-L429 PolarHBondContact O-N 3.37Å; Q426-L429 PolarHBondContact O-N 2.68Å; D427-L429 VanDerWaalsContact C-N 3.34Å; D427-L429 PolarHBondContact O-N 3.39Å; L429-G432 PolarHBondContact O-N 2.95Å; L429-F443 HydrophobicContact CD1-CB 4Å; L429-F443 HydrophobicContact CD2-CB 3.93Å; L429-F443 HydrophobicContact CG-CB 4.37Å; L429-V445 HydrophobicContact CB-CG2 4.44Å; L429-V445 HydrophobicContact CD2-CG2 4.03Å; L429-V445 VanDerWaalsContact O-CG2 3.25Å; L429-V445 WeakPolarHBondContact O-CG2 3.46Å; L429-P470 HydrophobicContact CD1-CB 4.29Å
430A88.4Confident88.5Confident89 Ų8981.4 Ų81.474%0.73646%0.458SS*.Hα-helixtrans-69.6-38.1174.600000111.8Q426 D427 G432Q426-A430 WeakPolarHBondContact O-CB 3.47Å; Q426-A430 PolarHBondContact O-N 2.93Å; D427-A430 WeakPolarHBondContact O-CB 3.37Å; D427-A430 PolarHBondContact O-N 2.87Å; D427-A430 VanDerWaalsContact O-N 3.12Å; A430-G432 PolarHBondContact O-N 2.79Å
431E90.6Very high88.2Confident159 Ų15978.9 Ų78.974%0.74344%0.437SS*.Hα-helixtrans-72-11.9171.4-64.1-167.8167.500113D427 E433D427-E431 PolarHBondContact O-N 3.23Å; D427-E431 VanDerWaalsContact O-N 3.07Å; E431-E433 HydrophobicContact CB-CG 4.34Å
432G87.4Confident88Confident45 Ų4576.1 Ų76.146%0.46442%0.419SS..THydrogen-bonded Turntrans86.313.5179.200000114.2A428 L429 A430A428-G432 PolarHBondContact O-N 3.17Å; L429-G432 PolarHBondContact O-N 2.95Å; A430-G432 PolarHBondContact O-N 2.79Å
433E90.5Very high88.1Confident121 Ų12174.3 Ų74.357%0.56541%0.411SS*.  trans-72.8177.3176.2-58.8-146.6131.600112.5A428 E431A428-E433 HydrophobicContact CB-CB 4.37Å; A428-E433 WeakPolarHBondContact O-CB 3.28Å; A428-E433 PolarHBondContact O-N 3.12Å; E431-E433 HydrophobicContact CB-CG 4.34Å
434K90Very high88.1Confident109 Ų10973.5 Ų73.547%0.47440%0.401SS..EExtended strand (participates in β ladder)trans-119111.4179.6175.7167.3179.9152.30110.4N442 F443 E444K434-N442 WeakPolarHBondContact CE-OD1 3.21Å; K434-F443 CarbonylContact C-O 3.59Å; K434-F443 WeakPolarHBondContact CA-O 3.21Å; K434-E444 HydrophobicContact CD-CB 4.27Å; K434-E444 HydrophobicContact CG-CB 4.23Å; K434-E444 IonicContact NZ-OE2 2.76Å; K434-E444 PolarHBondContact NZ-OE2 3.05Å
435V91.8Very high88.1Confident26 Ų2670.9 Ų70.916%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-85.6115176.6-171.10000109.5I425 A428 L437 N442 F443I425-V435 HydrophobicContact CG1-CG1 4.31Å; A428-V435 HydrophobicContact CB-CG2 3.6Å; V435-L437 HydrophobicContact CG1-CD2 4.07Å; V435-L437 HydrophobicContact CG1-CG 4.31Å; V435-N442 CarbonylContact O-C 3.55Å; V435-N442 WeakPolarHBondContact O-CA 3.5Å; V435-F443 HydrophobicContact CB-CB 4.29Å; V435-F443 HydrophobicContact CB-CD2 4.39Å; V435-F443 PolarHBondContact N-O 2.91Å; V435-F443 PolarHBondContact O-N 2.96Å
436Q89.9Confident88Confident131 Ų13175 Ų7561%0.61240%0.4SS*.EExtended strand (participates in β ladder)trans-106.9105.4177.2-178.1171.8-7.500110.8
437L86.9Confident87.9Confident66 Ų6675.9 Ų75.935%0.34640%0.404SS..EExtended strand (participates in β ladder)trans-93.3102.6173.4-59.3-174.1000109I425 V435 G439 F440 G441 F443I425-L437 HydrophobicContact CD1-CD1 4.44Å; V435-L437 HydrophobicContact CG1-CD2 4.07Å; V435-L437 HydrophobicContact CG1-CG 4.31Å; L437-G439 PolarHBondContact O-N 2.85Å; L437-F440 HydrophobicContact CB-CB 3.92Å; L437-F440 HydrophobicContact CB-CD1 4.23Å; L437-F440 HydrophobicContact CD1-CD1 3.95Å; L437-F440 HydrophobicContact CD1-CE1 4.49Å; L437-F440 PolarHBondContact O-N 3.47Å; L437-G441 PolarHBondContact N-O 2.93Å; L437-G441 PolarHBondContact O-N 3.27Å; L437-G441 VanDerWaalsContact O-O 3.11Å; L437-F443 HydrophobicContact CD1-CE2 3.97Å
438I80.3Confident87.5Confident161 Ų16177.9 Ų77.983%0.82640%0.404SS*.THydrogen-bonded Turntrans-58132.6-178.5-59.8176.1000109.7F440I438-F440 PolarHBondContact O-N 3.23Å
439G70.5Confident87.2Confident47 Ų4780.9 Ų80.949%0.48543%0.429SS..THydrogen-bonded Turntrans79.5-13.7-175.700000115.3L437 V475L437-G439 PolarHBondContact O-N 2.85Å; G439-V475 WeakPolarHBondContact O-CG2 3.5Å
440F79.2Confident86.9Confident96 Ų9682.1 Ų82.142%0.42144%0.443SS..THydrogen-bonded Turntrans-111.2-61.4-179.4-175.4-99.6000112.3L437 I438 F443 F472 P474 V475 I478L437-F440 HydrophobicContact CB-CB 3.92Å; L437-F440 HydrophobicContact CB-CD1 4.23Å; L437-F440 HydrophobicContact CD1-CD1 3.95Å; L437-F440 HydrophobicContact CD1-CE1 4.49Å; L437-F440 PolarHBondContact O-N 3.47Å; I438-F440 PolarHBondContact O-N 3.23Å; F440-F443 HydrophobicContact CE1-CE2 4.26Å; F440-F443 HydrophobicContact CE1-CZ 4.11Å; F440-F472 AromaticContact CD1-CE2 3.7Å; F440-F472 HydrophobicContact CD1-CE2 3.7Å; F440-F472 AromaticContact CD1-CZ 3.59Å; F440-F472 HydrophobicContact CD1-CZ 3.59Å; F440-F472 HydrophobicContact CE1-CE1 4.26Å; F440-F472 AromaticContact CE1-CE2 3.55Å; F440-F472 HydrophobicContact CE1-CE2 3.55Å; F440-F472 AromaticContact CE1-CZ 3.33Å; F440-F472 HydrophobicContact CE1-CZ 3.33Å; F440-F472 HydrophobicContact CG-CZ 4.43Å; F440-F472 HydrophobicContact CZ-CZ 4Å; F440-P474 WeakPolarHBondContact O-CA 3.38Å; F440-V475 PolarHBondContact O-N 3.01Å; F440-I478 HydrophobicContact CB-CD1 4.35Å; F440-I478 HydrophobicContact CD2-CD1 3.47Å; F440-I478 VanDerWaalsContact CD2-CD1 3.47Å; F440-I478 HydrophobicContact CE2-CD1 4.02Å; F440-I478 HydrophobicContact CG-CD1 4.1Å
441G85.7Confident86.9Confident0 Ų084.9 Ų84.90%044%0.435CS..EExtended strand (participates in β ladder)trans166.9-165.3-178.700000114.2L437 K473L437-G441 PolarHBondContact N-O 2.93Å; L437-G441 PolarHBondContact O-N 3.27Å; L437-G441 VanDerWaalsContact O-O 3.11Å; G441-K473 CarbonylContact C-O 3.55Å; G441-K473 VanDerWaalsContact CA-O 3.25Å; G441-K473 WeakPolarHBondContact CA-O 3.48Å
442N88.9Confident86.6Confident26 Ų2684.7 Ų84.714%0.13943%0.431CS..EExtended strand (participates in β ladder)trans-127.4129.1-178.9-58.4-109.8000108.9K434 V435 F472 K473K434-N442 WeakPolarHBondContact CE-OD1 3.21Å; V435-N442 CarbonylContact O-C 3.55Å; V435-N442 WeakPolarHBondContact O-CA 3.5Å; N442-F472 CarbonylContact O-C 3.52Å; N442-F472 WeakPolarHBondContact O-CA 3.44Å; N442-F472 WeakPolarHBondContact O-CD2 3.25Å; N442-K473 HydrophobicContact CB-CB 4.49Å; N442-K473 PolarHBondContact N-O 2.93Å; N442-K473 PolarHBondContact O-N 3.41Å
443F92.2Very high86.3Confident45 Ų4583.4 Ų83.420%0.19742%0.418CS..EExtended strand (participates in β ladder)trans-96.9130.5161.2-57.3-90.7000108.3I425 L429 K434 V435 L437 F440 A471 F472I425-F443 HydrophobicContact CD1-CE2 4.32Å; I425-F443 HydrophobicContact CG2-CD2 4.16Å; I425-F443 HydrophobicContact CG2-CE2 4.44Å; I425-F443 HydrophobicContact CG2-CG 4.22Å; L429-F443 HydrophobicContact CD1-CB 4Å; L429-F443 HydrophobicContact CD2-CB 3.93Å; L429-F443 HydrophobicContact CG-CB 4.37Å; K434-F443 CarbonylContact C-O 3.59Å; K434-F443 WeakPolarHBondContact CA-O 3.21Å; V435-F443 HydrophobicContact CB-CB 4.29Å; V435-F443 HydrophobicContact CB-CD2 4.39Å; V435-F443 PolarHBondContact N-O 2.91Å; V435-F443 PolarHBondContact O-N 2.96Å; L437-F443 HydrophobicContact CD1-CE2 3.97Å; F440-F443 HydrophobicContact CE1-CE2 4.26Å; F440-F443 HydrophobicContact CE1-CZ 4.11Å; F443-A471 WeakPolarHBondContact CA-O 3.23Å; F443-F472 HydrophobicContact CD1-CB 4Å; F443-F472 AromaticContact CD1-CD2 3.69Å; F443-F472 HydrophobicContact CD1-CD2 3.69Å; F443-F472 HydrophobicContact CD1-CG 4.23Å; F443-F472 HydrophobicContact CD2-CD2 4.11Å; F443-F472 HydrophobicContact CD2-CE2 4.4Å; F443-F472 HydrophobicContact CE1-CB 3.98Å; F443-F472 AromaticContact CE1-CD2 3.47Å; F443-F472 HydrophobicContact CE1-CD2 3.47Å; F443-F472 VanDerWaalsContact CE1-CD2 3.47Å; F443-F472 HydrophobicContact CE1-CE2 4.2Å; F443-F472 AromaticContact CE1-CG 3.93Å; F443-F472 HydrophobicContact CE1-CG 3.93Å; F443-F472 AromaticContact CE2-CD2 3.92Å; F443-F472 HydrophobicContact CE2-CD2 3.92Å; F443-F472 AromaticContact CE2-CE2 3.95Å; F443-F472 HydrophobicContact CE2-CE2 3.95Å; F443-F472 HydrophobicContact CG-CD2 4Å; F443-F472 AromaticContact CZ-CD2 3.6Å; F443-F472 HydrophobicContact CZ-CD2 3.6Å; F443-F472 AromaticContact CZ-CE2 3.85Å; F443-F472 HydrophobicContact CZ-CE2 3.85Å; F443-F472 HydrophobicContact CZ-CG 4.36Å
444E91.5Very high85.7Confident37 Ų3786.2 Ų86.217%0.17342%0.424CS..EExtended strand (participates in β ladder)trans-144.4141.6-17960.2-170.6-160.900109.9K434 R446 A471K434-E444 HydrophobicContact CD-CB 4.27Å; K434-E444 HydrophobicContact CG-CB 4.23Å; K434-E444 IonicContact NZ-OE2 2.76Å; K434-E444 PolarHBondContact NZ-OE2 3.05Å; E444-R446 HydrophobicContact CG-CG 4.27Å; E444-R446 IonicContact OE1-CZ 2.69Å; E444-R446 IonicContact OE1-NE 2.62Å; E444-R446 PolarHBondContact OE1-NE 2.89Å; E444-R446 IonicContact OE1-NH2 3.44Å; E444-R446 PolarHBondContact OE1-NH2 3.4Å; E444-A471 PolarHBondContact N-O 3.26Å; E444-A471 PolarHBondContact O-N 3.2Å
445V91.7Very high84.8Confident42 Ų4283.2 Ų83.226%0.25541%0.412SS..EExtended strand (participates in β ladder)trans-76.4124.8171.6-178.50000109.3L429 K468 V469L429-V445 HydrophobicContact CB-CG2 4.44Å; L429-V445 HydrophobicContact CD2-CG2 4.03Å; L429-V445 VanDerWaalsContact O-CG2 3.25Å; L429-V445 WeakPolarHBondContact O-CG2 3.46Å; V445-K468 HydrophobicContact CG1-CB 3.74Å; V445-K468 HydrophobicContact CG1-CD 4.09Å; V445-K468 HydrophobicContact CG1-CG 4.14Å; V445-V469 WeakPolarHBondContact CA-O 3.31Å
446R89.4Confident83.1Confident106 Ų10688.3 Ų88.340%0.445%0.446SS..EExtended strand (participates in β ladder)trans-111.1139.4175.1-66.8-172.4-175.4151.88.3111E444 V469 A471E444-R446 HydrophobicContact CG-CG 4.27Å; E444-R446 IonicContact OE1-CZ 2.69Å; E444-R446 IonicContact OE1-NE 2.62Å; E444-R446 PolarHBondContact OE1-NE 2.89Å; E444-R446 IonicContact OE1-NH2 3.44Å; E444-R446 PolarHBondContact OE1-NH2 3.4Å; R446-V469 HydrophobicContact CB-CG2 4.48Å; R446-V469 PolarHBondContact N-O 2.68Å; R446-V469 PolarHBondContact O-N 2.96Å; R446-A471 HydrophobicContact CB-CB 4.44Å; R446-A471 HydrophobicContact CG-CB 3.86Å
447E86.8Confident81.2Confident150 Ų15090.4 Ų90.470%0.70146%0.456SS*.EExtended strand (participates in β ladder)trans-84.7123.9172.4-54.3-164.5150.300109.9K468E447-K468 HydrophobicContact CG-CG 4.3Å; E447-K468 WeakPolarHBondContact OE1-CE 3.42Å; E447-K468 IonicContact OE1-NZ 2.77Å; E447-K468 PolarHBondContact OE1-NZ 3.06Å
448R83Confident80.4Confident134 Ų13490.9 Ų90.951%0.50646%0.462SS..EExtended strand (participates in β ladder)trans-96.3118.8166.6-71.6179.8174.4167.93.3107.7A466 S467 V469R448-A466 CarbonylContact O-C 3.58Å; R448-A466 VanDerWaalsContact O-CA 3.23Å; R448-A466 WeakPolarHBondContact O-CA 3.38Å; R448-S467 PolarHBondContact N-O 2.9Å; R448-S467 PolarHBondContact O-N 3.47Å; R448-V469 HydrophobicContact CG-CG2 4.02Å
449A85.5Confident79.8Confident80 Ų8084.8 Ų84.866%0.66144%0.438SS*.PPolyproline II helixtrans-62.5153.4171.300000111.3
450A85.3Confident80.1Confident54 Ų5488.3 Ų88.345%0.44644%0.442SS..PPolyproline II helixtrans-58.6141.1173.300000110.6I464 A466A450-I464 CarbonylContact C-O 3.49Å; A450-I464 VanDerWaalsContact CA-O 3.26Å; A450-I464 WeakPolarHBondContact CA-O 3.5Å; A450-A466 HydrophobicContact CB-CB 4.29Å
451R86.9Confident80.3Confident147 Ų14790 Ų9056%0.55545%0.451SS*.EExtended strand (participates in β ladder)trans-151.9148.3-175.864.3-176-174.8172.34.4111.6G453 I464R451-G453 PolarHBondContact O-N 3.48Å; R451-I464 HydrophobicContact CG-CB 4.1Å; R451-I464 HydrophobicContact CG-CD1 4.4Å; R451-I464 PolarHBondContact N-O 2.8Å; R451-I464 WeakPolarHBondContact O-CB 3.29Å; R451-I464 PolarHBondContact O-N 3.34Å
452K85.5Confident80.1Confident155 Ų15593.4 Ų93.467%0.67447%0.469SS*.EExtended strand (participates in β ladder)trans-66121.6165.3-70.4-166.8168.6-160.80109.7E461K452-E461 WeakPolarHBondContact CE-OE2 3.35Å; K452-E461 IonicContact NZ-OE1 3.92Å; K452-E461 IonicContact NZ-OE2 2.65Å; K452-E461 PolarHBondContact NZ-OE2 3.06Å
453G81.1Confident79.9Confident18 Ų1899.6 Ų99.619%0.18650%0.497CS..EExtended strand (participates in β ladder)trans-106.3-173.716300000110.5R451 I462R451-G453 PolarHBondContact O-N 3.48Å; G453-I462 PolarHBondContact N-O 2.88Å; G453-I462 PolarHBondContact O-N 3.2Å
454R78.4Confident79.3Confident181 Ų181100.2 Ų100.268%0.68350%0.502SS*.EExtended strand (participates in β ladder)trans-138.3132.9175.1-151.3172.9-174.2-174.2-4.5108.4P456 G459 E460R454-P456 WeakPolarHBondContact O-CD 3.37Å; R454-G459 VanDerWaalsContact CZ-O 3.27Å; R454-G459 PolarHBondContact NE-O 2.92Å; R454-G459 PolarHBondContact NH2-O 2.8Å; R454-E460 CarbonylContact C-O 3.59Å; R454-E460 VanDerWaalsContact CA-O 3.28Å; R454-E460 WeakPolarHBondContact CA-O 3.25Å; R454-E460 VanDerWaalsContact CG-O 3.26Å; R454-E460 WeakPolarHBondContact CG-O 3.4Å
455N69.8Low79Confident45 Ų45102.7 Ų102.724%0.24152%0.521CS..  trans-66.7122.3177.7-178.1-18.2000108.9Q457 T458 G459 E460 I462N455-Q457 PolarHBondContact O-N 3.02Å; N455-Q457 PolarHBondContact OD1-N 2.63Å; N455-T458 WeakPolarHBondContact CB-OG1 3.3Å; N455-T458 PolarHBondContact ND2-OG1 3.19Å; N455-G459 WeakPolarHBondContact O-CA 3.45Å; N455-G459 PolarHBondContact O-N 3.42Å; N455-E460 PolarHBondContact N-O 2.81Å; N455-I462 HydrophobicContact CB-CG2 4.28Å
456P56.4Low78.6Confident133 Ų133104.1 Ų104.186%0.86454%0.538SS*.THydrogen-bonded Turntrans-61.1-28.8179.6-23.834.8000113.9R454R454-P456 WeakPolarHBondContact O-CD 3.37Å
457Q49.3Very low78.5Confident175 Ų175101.2 Ų101.282%0.81853%0.533SS*.THydrogen-bonded Turntrans-88.9-37.8-176-63.1178.8-6.200113.1N455N455-Q457 PolarHBondContact O-N 3.02Å; N455-Q457 PolarHBondContact OD1-N 2.63Å
458T70.5Confident78.4Confident77 Ų77101 Ų10147%0.47253%0.53SS..THydrogen-bonded Turntrans-103.9-17.5-176.971.50000114.5N455 E460N455-T458 WeakPolarHBondContact CB-OG1 3.3Å; N455-T458 PolarHBondContact ND2-OG1 3.19Å; T458-E460 WeakPolarHBondContact CB-OE2 3.38Å; T458-E460 PolarHBondContact O-N 3.2Å; T458-E460 PolarHBondContact OG1-N 3.19Å; T458-E460 PolarHBondContact OG1-OE2 2.75Å
459G69.2Low78.6Confident32 Ų3295.8 Ų95.833%0.3351%0.513SS..  trans70.29-176.500000114.8R454 N455R454-G459 VanDerWaalsContact CZ-O 3.27Å; R454-G459 PolarHBondContact NE-O 2.92Å; R454-G459 PolarHBondContact NH2-O 2.8Å; N455-G459 WeakPolarHBondContact O-CA 3.45Å; N455-G459 PolarHBondContact O-N 3.42Å
460E76.8Confident78.6Confident121 Ų12196.6 Ų96.657%0.56551%0.511SS*.  trans-77.6149.6175.7-66168.7121.800111.6R454 N455 T458R454-E460 CarbonylContact C-O 3.59Å; R454-E460 VanDerWaalsContact CA-O 3.28Å; R454-E460 WeakPolarHBondContact CA-O 3.25Å; R454-E460 VanDerWaalsContact CG-O 3.26Å; R454-E460 WeakPolarHBondContact CG-O 3.4Å; N455-E460 PolarHBondContact N-O 2.81Å; T458-E460 WeakPolarHBondContact CB-OE2 3.38Å; T458-E460 PolarHBondContact O-N 3.2Å; T458-E460 PolarHBondContact OG1-N 3.19Å; T458-E460 PolarHBondContact OG1-OE2 2.75Å
461E82.6Confident78.8Confident131 Ų13194.8 Ų94.861%0.61250%0.496SS*.EExtended strand (participates in β ladder)trans-69.9129.2167.9-71.3-165.8159.900109.8K452K452-E461 WeakPolarHBondContact CE-OE2 3.35Å; K452-E461 IonicContact NZ-OE1 3.92Å; K452-E461 IonicContact NZ-OE2 2.65Å; K452-E461 PolarHBondContact NZ-OE2 3.06Å
462I81.8Confident78.9Confident73 Ų7391.6 Ų91.637%0.37449%0.487SS..EExtended strand (participates in β ladder)trans-120.7138.717457.8174.2000109.2G453 N455 I464G453-I462 PolarHBondContact N-O 2.88Å; G453-I462 PolarHBondContact O-N 3.2Å; N455-I462 HydrophobicContact CB-CG2 4.28Å; I462-I464 PolarHBondContact O-N 2.57Å
463E84.2Confident79Confident156 Ų15690 Ų9073%0.72948%0.48SS*.EExtended strand (participates in β ladder)trans-82.9111.3170.8-171.8164.5-173.100109P465E463-P465 WeakPolarHBondContact O-CD 3.48Å
464I80.1Confident79Confident57 Ų5790.9 Ų90.929%0.29248%0.483SS..EExtended strand (participates in β ladder)trans-81.4115.2172.4-57.9174.9000106.4A450 R451 I462A450-I464 CarbonylContact C-O 3.49Å; A450-I464 VanDerWaalsContact CA-O 3.26Å; A450-I464 WeakPolarHBondContact CA-O 3.5Å; R451-I464 HydrophobicContact CG-CB 4.1Å; R451-I464 HydrophobicContact CG-CD1 4.4Å; R451-I464 PolarHBondContact N-O 2.8Å; R451-I464 WeakPolarHBondContact O-CB 3.29Å; R451-I464 PolarHBondContact O-N 3.34Å; I462-I464 PolarHBondContact O-N 2.57Å
465P84Confident78.9Confident90 Ų9083.7 Ų83.758%0.58446%0.459SS*.  trans-68162.2-176.728.5-35.5000112E463 S467E463-P465 WeakPolarHBondContact O-CD 3.48Å; P465-S467 PolarHBondContact O-N 3.14Å; P465-S467 PolarHBondContact O-OG 3.25Å
466A84.9Confident78.4Confident72 Ų7286 Ų8660%0.59548%0.476SS*.  trans-60.9135.8172.200000110.1R448 A450R448-A466 CarbonylContact O-C 3.58Å; R448-A466 VanDerWaalsContact O-CA 3.23Å; R448-A466 WeakPolarHBondContact O-CA 3.38Å; A450-A466 HydrophobicContact CB-CB 4.29Å
467S86.4Confident78.1Confident44 Ų4485.8 Ų85.831%0.30847%0.467SS..EExtended strand (participates in β ladder)trans-145.9145.3-170.740.30000111.7R448 P465R448-S467 PolarHBondContact N-O 2.9Å; R448-S467 PolarHBondContact O-N 3.47Å; P465-S467 PolarHBondContact O-N 3.14Å; P465-S467 PolarHBondContact O-OG 3.25Å
468K85.3Confident78.3Confident145 Ų14580.1 Ų80.163%0.6344%0.442SS*.EExtended strand (participates in β ladder)trans-88.4134.1166.2-71.7-169.7173.8-165.20108.7V445 E447V445-K468 HydrophobicContact CG1-CB 3.74Å; V445-K468 HydrophobicContact CG1-CD 4.09Å; V445-K468 HydrophobicContact CG1-CG 4.14Å; E447-K468 HydrophobicContact CG-CG 4.3Å; E447-K468 WeakPolarHBondContact OE1-CE 3.42Å; E447-K468 IonicContact OE1-NZ 2.77Å; E447-K468 PolarHBondContact OE1-NZ 3.06Å
469V86.3Confident76.9Confident26 Ų2680.9 Ų80.916%0.15844%0.443CS..EExtended strand (participates in β ladder)trans-132.8141.8176.9-61.40000110.5V445 R446 R448V445-V469 WeakPolarHBondContact CA-O 3.31Å; R446-V469 HydrophobicContact CB-CG2 4.48Å; R446-V469 PolarHBondContact N-O 2.68Å; R446-V469 PolarHBondContact O-N 2.96Å; R448-V469 HydrophobicContact CG-CG2 4.02Å
470P87Confident75.4Confident96 Ų9682.6 Ų82.662%0.62344%0.443SS*.EExtended strand (participates in β ladder)trans-65.2143166.229.7-34.2000109.6L429L429-P470 HydrophobicContact CD1-CB 4.29Å
471A88.4Confident73.6Confident16 Ų1679 Ų7913%0.13244%0.438CS..EExtended strand (participates in β ladder)trans-138.1131.2174.300000110.3F443 E444 R446F443-A471 WeakPolarHBondContact CA-O 3.23Å; E444-A471 PolarHBondContact N-O 3.26Å; E444-A471 PolarHBondContact O-N 3.2Å; R446-A471 HydrophobicContact CB-CB 4.44Å; R446-A471 HydrophobicContact CG-CB 3.86Å
472F89.8Confident71.7Confident80 Ų8076.9 Ų76.935%0.35143%0.434SS..EExtended strand (participates in β ladder)trans-91.8142.7170.5-176.9-120.7000110.9F440 N442 F443 P474F440-F472 AromaticContact CD1-CE2 3.7Å; F440-F472 HydrophobicContact CD1-CE2 3.7Å; F440-F472 AromaticContact CD1-CZ 3.59Å; F440-F472 HydrophobicContact CD1-CZ 3.59Å; F440-F472 HydrophobicContact CE1-CE1 4.26Å; F440-F472 AromaticContact CE1-CE2 3.55Å; F440-F472 HydrophobicContact CE1-CE2 3.55Å; F440-F472 AromaticContact CE1-CZ 3.33Å; F440-F472 HydrophobicContact CE1-CZ 3.33Å; F440-F472 HydrophobicContact CG-CZ 4.43Å; F440-F472 HydrophobicContact CZ-CZ 4Å; N442-F472 CarbonylContact O-C 3.52Å; N442-F472 WeakPolarHBondContact O-CA 3.44Å; N442-F472 WeakPolarHBondContact O-CD2 3.25Å; F443-F472 HydrophobicContact CD1-CB 4Å; F443-F472 AromaticContact CD1-CD2 3.69Å; F443-F472 HydrophobicContact CD1-CD2 3.69Å; F443-F472 HydrophobicContact CD1-CG 4.23Å; F443-F472 HydrophobicContact CD2-CD2 4.11Å; F443-F472 HydrophobicContact CD2-CE2 4.4Å; F443-F472 HydrophobicContact CE1-CB 3.98Å; F443-F472 AromaticContact CE1-CD2 3.47Å; F443-F472 HydrophobicContact CE1-CD2 3.47Å; F443-F472 VanDerWaalsContact CE1-CD2 3.47Å; F443-F472 HydrophobicContact CE1-CE2 4.2Å; F443-F472 AromaticContact CE1-CG 3.93Å; F443-F472 HydrophobicContact CE1-CG 3.93Å; F443-F472 AromaticContact CE2-CD2 3.92Å; F443-F472 HydrophobicContact CE2-CD2 3.92Å; F443-F472 AromaticContact CE2-CE2 3.95Å; F443-F472 HydrophobicContact CE2-CE2 3.95Å; F443-F472 HydrophobicContact CG-CD2 4Å; F443-F472 AromaticContact CZ-CD2 3.6Å; F443-F472 HydrophobicContact CZ-CD2 3.6Å; F443-F472 AromaticContact CZ-CE2 3.85Å; F443-F472 HydrophobicContact CZ-CE2 3.85Å; F443-F472 HydrophobicContact CZ-CG 4.36Å; F472-P474 HydrophobicContact CE1-CB 3.72Å; F472-P474 HydrophobicContact CE1-CG 4.21Å; F472-P474 HydrophobicContact CZ-CB 4.08Å
473K86.8Confident69.4Low121 Ų12179.3 Ų79.353%0.52645%0.446SS..EExtended strand (participates in β ladder)trans-131.699.9171.1-175.9177.1176.9179.10108.7G441 N442G441-K473 CarbonylContact C-O 3.55Å; G441-K473 VanDerWaalsContact CA-O 3.25Å; G441-K473 WeakPolarHBondContact CA-O 3.48Å; N442-K473 HydrophobicContact CB-CB 4.49Å; N442-K473 PolarHBondContact N-O 2.93Å; N442-K473 PolarHBondContact O-N 3.41Å
474P81.5Confident67.1Low38 Ų3874.4 Ų74.425%0.24743%0.426CS..EExtended strand (participates in β ladder)trans-62.5157.217825.1-33.1000111.5F440 F472 I478 L479F440-P474 WeakPolarHBondContact O-CA 3.38Å; F472-P474 HydrophobicContact CE1-CB 3.72Å; F472-P474 HydrophobicContact CE1-CG 4.21Å; F472-P474 HydrophobicContact CZ-CB 4.08Å; P474-I478 HydrophobicContact CB-CB 4.21Å; P474-I478 HydrophobicContact CB-CG2 3.91Å; P474-L479 HydrophobicContact CG-CD1 4.13Å; P474-L479 HydrophobicContact CG-CG 4.2Å
475V75.4Confident64.8Low30 Ų3072.7 Ų72.718%0.18242%0.423CS..  trans-69.6155.3167.9-61.90000110.8G439 F440 L477 I478 L479G439-V475 WeakPolarHBondContact O-CG2 3.5Å; F440-V475 PolarHBondContact O-N 3.01Å; V475-L477 HydrophobicContact CG2-CB 4.01Å; V475-L477 PolarHBondContact O-N 3.19Å; V475-L477 VanDerWaalsContact O-N 3.13Å; V475-I478 HydrophobicContact CG2-CB 4.31Å; V475-I478 HydrophobicContact CG2-CG1 4.21Å; V475-I478 PolarHBondContact O-N 3.45Å; V475-L479 PolarHBondContact O-N 3.38Å
476P60Low62.3Low94 Ų9471.6 Ų71.661%0.6141%0.411SS*.Hα-helixtrans-54.3-31.7174.9-27.636.1000113.5I478 L479 I480P476-I478 VanDerWaalsContact C-N 3.29Å; P476-I478 PolarHBondContact O-N 3.39Å; P476-L479 PolarHBondContact O-N 2.68Å; P476-I480 WeakPolarHBondContact O-CB 3.49Å; P476-I480 VanDerWaalsContact O-CG1 3.23Å; P476-I480 WeakPolarHBondContact O-CG1 3.35Å; P476-I480 PolarHBondContact O-N 3.36Å
477L51Low59.6Low128 Ų12877.5 Ų77.567%0.6742%0.42SS*.Hα-helixtrans-65.7-27177.6-164.169.3000113.5V475 G481V475-L477 HydrophobicContact CG2-CB 4.01Å; V475-L477 PolarHBondContact O-N 3.19Å; V475-L477 VanDerWaalsContact O-N 3.13Å; L477-G481 WeakPolarHBondContact O-CA 3.45Å; L477-G481 PolarHBondContact O-N 3.45Å
478I52.2Low56.9Low55 Ų5581 Ų8128%0.28243%0.43SS..Hα-helixtrans-83.7-35.1173.4-77.9-170.3000111.4F440 P474 V475 P476 I480 G481 V482F440-I478 HydrophobicContact CB-CD1 4.35Å; F440-I478 HydrophobicContact CD2-CD1 3.47Å; F440-I478 VanDerWaalsContact CD2-CD1 3.47Å; F440-I478 HydrophobicContact CE2-CD1 4.02Å; F440-I478 HydrophobicContact CG-CD1 4.1Å; P474-I478 HydrophobicContact CB-CB 4.21Å; P474-I478 HydrophobicContact CB-CG2 3.91Å; V475-I478 HydrophobicContact CG2-CB 4.31Å; V475-I478 HydrophobicContact CG2-CG1 4.21Å; V475-I478 PolarHBondContact O-N 3.45Å; P476-I478 VanDerWaalsContact C-N 3.29Å; P476-I478 PolarHBondContact O-N 3.39Å; I478-I480 VanDerWaalsContact C-N 3.31Å; I478-I480 PolarHBondContact O-N 3.18Å; I478-G481 PolarHBondContact O-N 2.92Å; I478-V482 WeakPolarHBondContact O-CB 3.41Å; I478-V482 WeakPolarHBondContact O-CG2 3.32Å; I478-V482 PolarHBondContact O-N 2.7Å
479L41.5Very low54.2Low94 Ų9484.5 Ų84.549%0.49244%0.44SS..Hα-helixtrans-59-45.1168-83.8146.6000110.9P474 V475 P476 M483P474-L479 HydrophobicContact CG-CD1 4.13Å; P474-L479 HydrophobicContact CG-CG 4.2Å; V475-L479 PolarHBondContact O-N 3.38Å; P476-L479 PolarHBondContact O-N 2.68Å; L479-M483 WeakPolarHBondContact O-CB 3.47Å; L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 3.23Å
480I36.8Very low51.4Low68 Ų6885.9 Ų85.935%0.34946%0.46SS..Hα-helixtrans-64.8-46.6172.4-67.1165.3000110.1P476 I478 V482 M483 V484P476-I480 WeakPolarHBondContact O-CB 3.49Å; P476-I480 VanDerWaalsContact O-CG1 3.23Å; P476-I480 WeakPolarHBondContact O-CG1 3.35Å; P476-I480 PolarHBondContact O-N 3.36Å; I478-I480 VanDerWaalsContact C-N 3.31Å; I478-I480 PolarHBondContact O-N 3.18Å; I480-V482 VanDerWaalsContact C-N 3.3Å; I480-V482 PolarHBondContact O-N 3.22Å; I480-M483 CarbonylContact O-C 3.43Å; I480-M483 PolarHBondContact O-N 2.87Å; I480-M483 VanDerWaalsContact O-N 3.17Å; I480-V484 HydrophobicContact CG2-CB 4.45Å; I480-V484 HydrophobicContact CG2-CG2 3.68Å; I480-V484 WeakPolarHBondContact O-CA 3.41Å; I480-V484 WeakPolarHBondContact O-CB 3.49Å; I480-V484 VanDerWaalsContact O-CG2 3.25Å; I480-V484 WeakPolarHBondContact O-CG2 3.3Å; I480-V484 PolarHBondContact O-N 2.87Å
481G40.2Very low48.6Very low44 Ų4486.3 Ų86.345%0.45447%0.465SS..Hα-helixtrans-60-35.8179.400000113.8L477 I478 G485L477-G481 WeakPolarHBondContact O-CA 3.45Å; L477-G481 PolarHBondContact O-N 3.45Å; I478-G481 PolarHBondContact O-N 2.92Å; G481-G485 WeakPolarHBondContact O-CA 3.32Å; G481-G485 PolarHBondContact O-N 2.69Å
482V42.3Very low45.9Very low87 Ų8790.6 Ų90.653%0.52749%0.494SS..Hα-helixtrans-70.3-54.5170.1171.60000110.1I478 I480 V484 G485 L486I478-V482 WeakPolarHBondContact O-CB 3.41Å; I478-V482 WeakPolarHBondContact O-CG2 3.32Å; I478-V482 PolarHBondContact O-N 2.7Å; I480-V482 VanDerWaalsContact C-N 3.3Å; I480-V482 PolarHBondContact O-N 3.22Å; V482-V484 VanDerWaalsContact C-N 3.26Å; V482-V484 PolarHBondContact O-N 2.7Å; V482-G485 PolarHBondContact O-N 2.83Å; V482-L486 HydrophobicContact CG1-CD1 4.22Å; V482-L486 WeakPolarHBondContact O-CB 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.47Å; V482-L486 PolarHBondContact O-N 3.35Å
483M34Very low43Very low125 Ų12593.9 Ų93.962%0.61652%0.515SS*.Hα-helixtrans-63.2-27.9-177.7-70.417668.300114.1L479 I480 Y487L479-M483 WeakPolarHBondContact O-CB 3.47Å; L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 3.23Å; I480-M483 CarbonylContact O-C 3.43Å; I480-M483 PolarHBondContact O-N 2.87Å; I480-M483 VanDerWaalsContact O-N 3.17Å; M483-Y487 VanDerWaalsContact O-CD2 3.27Å; M483-Y487 WeakPolarHBondContact O-CD2 3.37Å
484V34.7Very low40.1Very low53 Ų5395.6 Ų95.632%0.32153%0.53SS..Hα-helixtrans-95.1-31179.7176.70000110.8I480 V482 L486 Y487 F488I480-V484 HydrophobicContact CG2-CB 4.45Å; I480-V484 HydrophobicContact CG2-CG2 3.68Å; I480-V484 WeakPolarHBondContact O-CA 3.41Å; I480-V484 WeakPolarHBondContact O-CB 3.49Å; I480-V484 VanDerWaalsContact O-CG2 3.25Å; I480-V484 WeakPolarHBondContact O-CG2 3.3Å; I480-V484 PolarHBondContact O-N 2.87Å; V482-V484 VanDerWaalsContact C-N 3.26Å; V482-V484 PolarHBondContact O-N 2.7Å; V484-L486 PolarHBondContact O-N 3.15Å; V484-Y487 CarbonylContact O-C 3.59Å; V484-Y487 WeakPolarHBondContact O-CA 3.34Å; V484-Y487 PolarHBondContact O-N 2.78Å; V484-F488 HydrophobicContact CG1-CD2 3.45Å; V484-F488 VanDerWaalsContact CG1-CD2 3.45Å; V484-F488 HydrophobicContact CG1-CE2 3.82Å; V484-F488 HydrophobicContact CG1-CG 4.3Å; V484-F488 WeakPolarHBondContact O-CB 3.27Å; V484-F488 WeakPolarHBondContact O-CD2 3.49Å; V484-F488 PolarHBondContact O-N 3.17Å
485G32.7Very low37.6Very low21 Ų21102.1 Ų102.122%0.21656%0.558CS.*Hα-helixtrans-56.8-42.116600000111.2G481 V482 Y487 F488 Y489G481-G485 WeakPolarHBondContact O-CA 3.32Å; G481-G485 PolarHBondContact O-N 2.69Å; V482-G485 PolarHBondContact O-N 2.83Å; G485-Y487 PolarHBondContact O-N 3.36Å; G485-Y487 VanDerWaalsContact O-N 3.11Å; G485-F488 PolarHBondContact O-N 2.61Å; G485-Y489 WeakPolarHBondContact O-CB 3.26Å; G485-Y489 PolarHBondContact O-N 3.09Å
486L30.7Very low35.2Very low67 Ų67107 Ų10735%0.35159%0.587SS.*Hα-helixtrans-66.5-3.2171.7-65.4175.1000115Y384 V482 V484Y384-L486 HydrophobicContact CE1-CD1 4.01Å; Y384-L486 WeakPolarHBondContact OH-CB 3.46Å; Y384-L486 WeakPolarHBondContact OH-CD2 3.36Å; V482-L486 HydrophobicContact CG1-CD1 4.22Å; V482-L486 WeakPolarHBondContact O-CB 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.47Å; V482-L486 PolarHBondContact O-N 3.35Å; V484-L486 PolarHBondContact O-N 3.15Å
487Y28.6Very low33.6Very low195 Ų195110.3 Ų110.377%0.76560%0.598SS**Hα-helixtrans-116.5-19173.5-92.2-105.3000114M483 V484 G485M483-Y487 VanDerWaalsContact O-CD2 3.27Å; M483-Y487 WeakPolarHBondContact O-CD2 3.37Å; V484-Y487 CarbonylContact O-C 3.59Å; V484-Y487 WeakPolarHBondContact O-CA 3.34Å; V484-Y487 PolarHBondContact O-N 2.78Å; G485-Y487 PolarHBondContact O-N 3.36Å; G485-Y487 VanDerWaalsContact O-N 3.11Å
488F29.6Very low32.4Very low119 Ų119109.3 Ų109.352%0.52260%0.599SS.*Hα-helixtrans-123.2-14.9-171.6-78.9-99000115V484 G485 G490V484-F488 HydrophobicContact CG1-CD2 3.45Å; V484-F488 VanDerWaalsContact CG1-CD2 3.45Å; V484-F488 HydrophobicContact CG1-CE2 3.82Å; V484-F488 HydrophobicContact CG1-CG 4.3Å; V484-F488 WeakPolarHBondContact O-CB 3.27Å; V484-F488 WeakPolarHBondContact O-CD2 3.49Å; V484-F488 PolarHBondContact O-N 3.17Å; G485-F488 PolarHBondContact O-N 2.61Å; F488-G490 PolarHBondContact O-N 3.24Å
489Y28.5Very low31.1Very low218 Ų218116.7 Ų116.786%0.85563%0.629SS**THydrogen-bonded Turntrans-76.369164.4-89.3-96.3000110.1G485G485-Y489 WeakPolarHBondContact O-CB 3.26Å; G485-Y489 PolarHBondContact O-N 3.09Å
490G28.8Very low30.4Very low55 Ų55123.9 Ų123.957%0.56765%0.65SS**THydrogen-bonded Turntrans-146.212.8-179.100000113.8F488F488-G490 PolarHBondContact O-N 3.24Å
491S27.7Very low29.9Very low105 Ų105129.9 Ų129.973%0.73468%0.676SS**  trans-131.496.7171.6-168.20000108
492S32.1Very low29.2Very low106 Ų106135.3 Ų135.374%0.74169%0.693SS**  trans-66.6145.1154.648.50000108.4
493D26.9Very low28.4Very low148 Ų148136.3 Ų136.379%0.79170%0.704SS**SBendtrans-67.4167.2161.4-72.2-64000110.4
494D27.1Very low28.1Very low158 Ų158138 Ų13885%0.84572%0.715SS**  trans74.1154.5-179.3-65.6-40.4000119.4
495E28.1Very low27.8Very low175 Ų175142.5 Ų142.582%0.81874%0.737SS**  trans71.578.9170-59.4-116.210500120.4
496V25.4Very low27.8Very low131 Ų131148.9 Ų148.979%0.79477%0.766SS**  37.9100.9128-171.10000118.9
497I26.1Very low27.7Very low165 Ų165150.4 Ų150.485%0.84678%0.783SS**PPolyproline II helixtrans-99.8118.2160.8-59178.2000110.6
498P25.8Very low27.8Very low107 Ų107147.8 Ų147.870%0.69579%0.787SS**PPolyproline II helixtrans-76.8145.917531.1-34.2000112.2R500P498-R500 PolarHBondContact O-N 2.77Å
499K25.1Very low27.6Very low210 Ų210145.8 Ų145.891%0.91380%0.8SS**PPolyproline II helixtrans-57.8133.9179.9-65.7176.5178.5177.40112.3
500R27.3Very low27.6Very low245 Ų245142.2 Ų142.293%0.92580%0.801SS**  trans-125.8150.3152.5-88.4-171.9169175.7-0.8110.7P498P498-R500 PolarHBondContact O-N 2.77Å
501E26.2Very low27.4Very low193 Ų193145 Ų14590%0.90281%0.811SS**  trans-84140.2-166.3-62.3159117.900111.8
502I26.1Very low27.5Very low158 Ų158146.4 Ų146.481%0.8182%0.816SS**  trans-114.1107.3157.7-62.6177.5000105.9L504I502-L504 PolarHBondContact O-N 3.05Å
503S24.8Very low27.1Very low109 Ų109150.1 Ų150.176%0.76282%0.821SS**  trans-78.1113.6177.760.10000110.4
504L28.6Very low27.1Very low159 Ų159148.7 Ų148.783%0.83282%0.818SS**  trans-112.1103.7161.8-78.1167.3000108.3I502 D506I502-L504 PolarHBondContact O-N 3.05Å; L504-D506 PolarHBondContact O-N 2.76Å
505N27.5Very low26.9Very low149 Ų149147.2 Ų147.280%0.79782%0.815SS**  trans-67.2121.3160.2-71.4-22.7000107.6
506D32.1Very low26.8Very low155 Ų155143.3 Ų143.383%0.82981%0.813SS**  -162163.2107.7-106.4-25.5000113L504L504-D506 PolarHBondContact O-N 2.76Å
507S28.4Very low26.8Very low99 Ų99146.2 Ų146.269%0.69282%0.818SS**  trans-55.9138.7179.958.60000112.5
508T31Very low26.9Very low139 Ų139143.6 Ų143.685%0.85381%0.814SS**  -168.1146.572.830.20000110.5
509G26Very low27.2Very low78 Ų78143.1 Ų143.180%0.80481%0.813SS**  trans-101.6136.2-174.900000114.7
510V27.9Very low27.8Very low143 Ų143139.6 Ų139.687%0.86781%0.809SS**  trans-135.7134.3153.9179.10000107.7
511S24.6Very low28.5Very low112 Ų112130.7 Ų130.778%0.78378%0.782SS**  trans-113.6120.6-179.957.20000111.2
512T29.7Very low29.6Very low136 Ų136126.4 Ų126.483%0.83477%0.765SS**  trans-144.6126.6162.844.50000109.9
513E23.7Very low30.6Very low183 Ų183123.4 Ų123.486%0.85576%0.755SS**  trans-75.2176.8166.9-58172.3115.800110.9
514T26.4Very low31.9Very low119 Ų119122.4 Ų122.473%0.7375%0.748SS**  trans117.5116.2145-41.60000116.6
515T24.9Very low33Very low127 Ų127115.2 Ų115.278%0.77971%0.71SS**  trans57.4117.315556.10000122.8
516A25Very low34.1Very low92 Ų92111.7 Ų111.776%0.7669%0.691SS**  79163.8123.500000120.7
517E26.2Very low34.9Very low193 Ų193105.4 Ų105.490%0.90266%0.662SS**  trans58.749.1171.5-60.2-172.2-17300117.1S519E517-S519 PolarHBondContact O-N 3.05Å
518S27.5Very low36.3Very low110 Ų110104.7 Ų104.777%0.76965%0.648SS**  trans-75.395.2154.662.20000110.2T520S518-T520 PolarHBondContact O-N 3.26Å
519S31.9Very low37.5Very low96 Ų96100.9 Ų100.967%0.67162%0.624SS**  trans-58.8124.1157.544.70000108.6E517 V521E517-S519 PolarHBondContact O-N 3.05Å; S519-V521 PolarHBondContact O-N 2.94Å
520T36.9Very low38.7Very low136 Ų13699.5 Ų99.583%0.83460%0.598SS**  trans-71.593.4177.547.80000109.1S518 D522S518-T520 PolarHBondContact O-N 3.26Å; T520-D522 PolarHBondContact O-N 2.92Å; T520-D522 VanDerWaalsContact O-N 3.15Å
521V42.4Very low39.8Very low58 Ų5896.8 Ų96.835%0.35258%0.582SS.*  trans-59.9115.2170.2178.70000107.7S519 T523 I543S519-V521 PolarHBondContact O-N 2.94Å; V521-T523 PolarHBondContact O-N 2.81Å; V521-T523 VanDerWaalsContact O-N 3.09Å; V521-I543 HydrophobicContact CG1-CB 4.1Å; V521-I543 HydrophobicContact CG1-CG2 3.58Å
522D49.7Very low41.3Very low103 Ų10392.9 Ų92.955%0.55155%0.554SS**  trans-68.7107.2-177.117721.1000111T520 S524 I543T520-D522 PolarHBondContact O-N 2.92Å; T520-D522 VanDerWaalsContact O-N 3.15Å; D522-S524 VanDerWaalsContact C-N 3.26Å; D522-S524 PolarHBondContact O-N 3.13Å; D522-S524 WeakPolarHBondContact OD1-CB 3.49Å; D522-S524 PolarHBondContact OD1-N 2.97Å; D522-S524 PolarHBondContact OD1-OG 3.35Å; D522-S524 VanDerWaalsContact OD1-OG 3.04Å; D522-S524 PolarHBondContact OD2-OG 3.06Å; D522-I543 WeakPolarHBondContact O-CD1 3.49Å
523T47.5Very low41.6Very low96 Ų9691.7 Ų91.759%0.58955%0.548SS*.G310 helixtrans-80.2-1178.752.40000113.7V521 S525 I526V521-T523 PolarHBondContact O-N 2.81Å; V521-T523 VanDerWaalsContact O-N 3.09Å; T523-S525 PolarHBondContact O-N 2.74Å; T523-I526 HydrophobicContact CG2-CD1 3.86Å; T523-I526 PolarHBondContact O-N 2.89Å
524S52.8Low42.4Very low88 Ų8891.2 Ų91.262%0.61554%0.539SS*.G310 helixtrans-53.2-23.4179.770.80000114.5D522D522-S524 VanDerWaalsContact C-N 3.26Å; D522-S524 PolarHBondContact O-N 3.13Å; D522-S524 WeakPolarHBondContact OD1-CB 3.49Å; D522-S524 PolarHBondContact OD1-N 2.97Å; D522-S524 PolarHBondContact OD1-OG 3.35Å; D522-S524 VanDerWaalsContact OD1-OG 3.04Å; D522-S524 PolarHBondContact OD2-OG 3.06Å
525S50.3Low43Very low7 Ų787.9 Ų87.95%0.04953%0.528CS..G310 helixtrans-103.68.4-177.941.10000114.3T523 Q528 V540 I543 R549T523-S525 PolarHBondContact O-N 2.74Å; S525-Q528 WeakPolarHBondContact O-CB 3.38Å; S525-Q528 PolarHBondContact O-N 3.47Å; S525-V540 WeakPolarHBondContact O-CB 3.32Å; S525-V540 VanDerWaalsContact O-CG1 3.29Å; S525-V540 WeakPolarHBondContact O-CG1 3.33Å; S525-I543 WeakPolarHBondContact OG-CD1 3.31Å; S525-R549 PolarHBondContact OG-NH2 2.91Å
526I51.4Low44Very low76 Ų7685.8 Ų85.839%0.3951%0.51SS..THydrogen-bonded Turntrans-74.5136.2164.9-62.8179.2000108.8T523 Q528 I543T523-I526 HydrophobicContact CG2-CD1 3.86Å; T523-I526 PolarHBondContact O-N 2.89Å; I526-Q528 PolarHBondContact O-N 2.82Å; I526-I543 HydrophobicContact CG1-CD1 4Å; I526-I543 HydrophobicContact CG1-CG1 3.98Å
527G48.8Very low45.3Very low22 Ų2285.5 Ų85.523%0.22749%0.493CS..THydrogen-bonded Turntrans76.2-9.1-170.500000114.1V529 V540G527-V529 PolarHBondContact O-N 2.99Å; G527-V540 PolarHBondContact N-O 3.24Å
528Q57.4Low46.5Very low84 Ų8476.9 Ų76.939%0.39345%0.453SS..PPolyproline II helixtrans-60.2123174.1-172.317544.400109.7S525 I526 L530 V540S525-Q528 WeakPolarHBondContact O-CB 3.38Å; S525-Q528 PolarHBondContact O-N 3.47Å; I526-Q528 PolarHBondContact O-N 2.82Å; Q528-L530 HydrophobicContact CG-CD2 3.9Å; Q528-L530 HydrophobicContact CG-CG 4.41Å; Q528-V540 PolarHBondContact O-N 3.48Å
529V55.6Low47.9Very low59 Ų5974.2 Ų74.236%0.35843%0.432SS..EExtended strand (participates in β ladder)trans-81.9116.4168.6-172.30000107.6G527 Q537G527-V529 PolarHBondContact O-N 2.99Å; V529-Q537 HydrophobicContact CG1-CB 3.83Å; V529-Q537 HydrophobicContact CG1-CG 4.32Å
530L52Low49.1Very low49 Ų4969.7 Ų69.726%0.25740%0.401SS..EExtended strand (participates in β ladder)trans-100.4126176.2-62.2173.5000108.7Q528 T532 V538 V540Q528-L530 HydrophobicContact CG-CD2 3.9Å; Q528-L530 HydrophobicContact CG-CG 4.41Å; L530-T532 PolarHBondContact O-N 3.02Å; L530-V538 HydrophobicContact CB-CG2 4.02Å; L530-V538 PolarHBondContact N-O 3.06Å; L530-V538 PolarHBondContact O-N 2.84Å; L530-V540 HydrophobicContact CD1-CG2 3.57Å; L530-V540 HydrophobicContact CG-CG2 4.05Å
531T52.2Low50Low87 Ų8767.8 Ų67.853%0.53439%0.385SS..EExtended strand (participates in β ladder)trans-78.6117.6165-49.40000108E536 Q537T531-E536 CarbonylContact C-O 3.57Å; T531-E536 WeakPolarHBondContact CA-O 3.11Å; T531-Q537 VanDerWaalsContact OG1-CD 3.25Å; T531-Q537 PolarHBondContact OG1-NE2 2.82Å; T531-Q537 PolarHBondContact OG1-OE1 2.93Å
532T55.2Low50.5Low29 Ų2973 Ų7318%0.17840%0.398CS..PPolyproline II helixtrans-60.9154.7169.871.20000108.9L530 W534 G535 E536 V538L530-T532 PolarHBondContact O-N 3.02Å; T532-W534 PolarHBondContact O-N 2.95Å; T532-G535 PolarHBondContact O-N 3.35Å; T532-E536 HydrophobicContact CG2-CB 4.24Å; T532-E536 PolarHBondContact N-O 3.05Å; T532-E536 WeakPolarHBondContact OG1-CB 3.13Å; T532-E536 PolarHBondContact OG1-N 3.19Å; T532-E536 VanDerWaalsContact OG1-N 3.12Å; T532-E536 PolarHBondContact OG1-O 3.4Å; T532-V538 HydrophobicContact CG2-CG1 3.96Å; T532-V538 HydrophobicContact CG2-CG2 4.05Å
533P37Very low50.8Low111 Ų11169.1 Ų69.172%0.72138%0.377SS*.THydrogen-bonded Turntrans-61.2-13.5178.825-34.5000113.5
534W40.2Very low51.2Low173 Ų17367.7 Ų67.766%0.65537%0.366SS*.THydrogen-bonded Turntrans-92.1-0.9175-38.1146.2000113.5T532 E575T532-W534 PolarHBondContact O-N 2.95Å; W534-E575 PolarHBondContact NE1-OE1 3.28Å
535G39.2Very low51Low50 Ų5069 Ų6952%0.51538%0.375SS..SBendtrans95.23.517400000116T532T532-G535 PolarHBondContact O-N 3.35Å
536E44.4Very low51.6Low83 Ų8373.6 Ų73.639%0.38840%0.399SS..  trans-78.6147.3174.1-57.8-171.8130.200110.5T531 T532T531-E536 CarbonylContact C-O 3.57Å; T531-E536 WeakPolarHBondContact CA-O 3.11Å; T532-E536 HydrophobicContact CG2-CB 4.24Å; T532-E536 PolarHBondContact N-O 3.05Å; T532-E536 WeakPolarHBondContact OG1-CB 3.13Å; T532-E536 PolarHBondContact OG1-N 3.19Å; T532-E536 VanDerWaalsContact OG1-N 3.12Å; T532-E536 PolarHBondContact OG1-O 3.4Å
537Q53Low51.7Low85 Ų8572.1 Ų72.140%0.39740%0.402SS..EExtended strand (participates in β ladder)trans-97.9125174.8-59-61.7-10.500109.7V529 T531V529-Q537 HydrophobicContact CG1-CB 3.83Å; V529-Q537 HydrophobicContact CG1-CG 4.32Å; T531-Q537 VanDerWaalsContact OG1-CD 3.25Å; T531-Q537 PolarHBondContact OG1-NE2 2.82Å; T531-Q537 PolarHBondContact OG1-OE1 2.93Å
538V50.7Low51.7Low12 Ų1276.8 Ų76.87%0.07342%0.418CS..EExtended strand (participates in β ladder)trans-123.6132.6175-60.80000110.7L530 T532 I551 K552L530-V538 HydrophobicContact CB-CG2 4.02Å; L530-V538 PolarHBondContact N-O 3.06Å; L530-V538 PolarHBondContact O-N 2.84Å; T532-V538 HydrophobicContact CG2-CG1 3.96Å; T532-V538 HydrophobicContact CG2-CG2 4.05Å; V538-I551 HydrophobicContact CB-CB 4.2Å; V538-I551 HydrophobicContact CB-CD1 4.47Å; V538-I551 HydrophobicContact CG2-CB 4.16Å; V538-I551 HydrophobicContact CG2-CD1 4.03Å; V538-I551 HydrophobicContact CG2-CG2 4.15Å; V538-K552 WeakPolarHBondContact CA-O 3.23Å
539T57.1Low51.8Low54 Ų5478 Ų7833%0.33142%0.419SS..EExtended strand (participates in β ladder)trans-93.8129.6179.9-52.90000110.1L541 I551 K552T539-L541 PolarHBondContact O-N 3.05Å; T539-I551 WeakPolarHBondContact O-CA 3.14Å; T539-K552 PolarHBondContact N-O 3.2Å; T539-K552 VanDerWaalsContact N-O 3.14Å; T539-K552 PolarHBondContact O-N 2.93Å; T539-K552 VanDerWaalsContact O-N 3.09Å
540V58Low51.7Low1 Ų177 Ų771%0.00641%0.413CS..EExtended strand (participates in β ladder)trans-72.3110.5171.5-179.60000109.5S525 G527 Q528 L530 I543 R549 V550 I551S525-V540 WeakPolarHBondContact O-CB 3.32Å; S525-V540 VanDerWaalsContact O-CG1 3.29Å; S525-V540 WeakPolarHBondContact O-CG1 3.33Å; G527-V540 PolarHBondContact N-O 3.24Å; Q528-V540 PolarHBondContact O-N 3.48Å; L530-V540 HydrophobicContact CD1-CG2 3.57Å; L530-V540 HydrophobicContact CG-CG2 4.05Å; V540-I543 HydrophobicContact CG1-CG1 4.12Å; V540-R549 HydrophobicContact CG1-CB 4.26Å; V540-R549 HydrophobicContact CG1-CG 4.42Å; V540-R549 HydrophobicContact CG2-CB 4.47Å; V540-V550 CarbonylContact C-O 3.53Å; V540-I551 HydrophobicContact CG2-CG2 3.97Å
541L54.9Low52Low97 Ų9778.4 Ų78.451%0.50842%0.42SS..EExtended strand (participates in β ladder)trans-84.8-34.7179.2-61.8-176.7000112.7T539 V550 K552T539-L541 PolarHBondContact O-N 3.05Å; L541-V550 PolarHBondContact N-O 3.06Å; L541-K552 HydrophobicContact CD1-CB 3.72Å; L541-K552 HydrophobicContact CD1-CD 3.97Å; L541-K552 HydrophobicContact CD1-CG 4.48Å; L541-K552 HydrophobicContact CG-CB 4.12Å
542R53.9Low51.8Low168 Ų16881.3 Ų81.363%0.63443%0.425SS*.EExtended strand (participates in β ladder)trans-158.2151.1-178.6-165.9174.1-175.5179.93.9110.6V550R542-V550 HydrophobicContact CB-CB 4.26Å; R542-V550 HydrophobicContact CB-CG2 4.35Å; R542-V550 PolarHBondContact N-O 3.44Å; R542-V550 PolarHBondContact O-N 2.62Å
543I54.7Low51.3Low21 Ų2181.4 Ų81.411%0.10843%0.432CS..EExtended strand (participates in β ladder)trans-108.4130.1167.2-55.6170.5000107.5V521 D522 S525 I526 V540 E548 R549V521-I543 HydrophobicContact CG1-CB 4.1Å; V521-I543 HydrophobicContact CG1-CG2 3.58Å; D522-I543 WeakPolarHBondContact O-CD1 3.49Å; S525-I543 WeakPolarHBondContact OG-CD1 3.31Å; I526-I543 HydrophobicContact CG1-CD1 4Å; I526-I543 HydrophobicContact CG1-CG1 3.98Å; V540-I543 HydrophobicContact CG1-CG1 4.12Å; I543-E548 CarbonylContact C-O 3.53Å; I543-E548 WeakPolarHBondContact CA-O 3.28Å; I543-R549 HydrophobicContact CG1-CG 4.44Å
544L57.1Low51.6Low65 Ų6579.4 Ų79.434%0.3443%0.432SS..  trans-80.9164.4177.9-64-177000110.9N546 G547 E548 V550L544-N546 WeakPolarHBondContact CB-OD1 3.38Å; L544-N546 PolarHBondContact O-N 2.8Å; L544-N546 VanDerWaalsContact O-N 3.12Å; L544-G547 PolarHBondContact O-N 3.23Å; L544-E548 HydrophobicContact CB-CB 4.38Å; L544-E548 HydrophobicContact CD1-CB 4.23Å; L544-E548 PolarHBondContact N-O 3.19Å; L544-V550 HydrophobicContact CD1-CG2 4.43Å; L544-V550 HydrophobicContact CD2-CG2 4.19Å; L544-V550 HydrophobicContact CG-CG2 4.12Å
545S49Very low51.5Low116 Ų11676.1 Ų76.181%0.81142%0.42SS*.THydrogen-bonded Turntrans-65.7-13.3-177.448.30000114.7
546N62.5Low51.3Low104 Ų10476.4 Ų76.456%0.55641%0.414SS*.THydrogen-bonded Turntrans-92.9-0.9171.562.3-2.2000113.5L544 E548L544-N546 WeakPolarHBondContact CB-OD1 3.38Å; L544-N546 PolarHBondContact O-N 2.8Å; L544-N546 VanDerWaalsContact O-N 3.12Å; N546-E548 PolarHBondContact ND2-OE2 3.41Å; N546-E548 WeakPolarHBondContact OD1-CB 3.38Å; N546-E548 PolarHBondContact OD1-N 3.32Å; N546-E548 VanDerWaalsContact OD1-N 3.07Å
547G53.7Low51Low44 Ų4478.2 Ų78.245%0.45443%0.433SS..SBendtrans90.7-2-177.600000115.5L544L544-G547 PolarHBondContact O-N 3.23Å
548E47.3Very low50.5Low120 Ų12078.6 Ų78.656%0.56145%0.445SS*.  trans-68.9141.9178-69.5175.6153.500111.9I543 L544 N546I543-E548 CarbonylContact C-O 3.53Å; I543-E548 WeakPolarHBondContact CA-O 3.28Å; L544-E548 HydrophobicContact CB-CB 4.38Å; L544-E548 HydrophobicContact CD1-CB 4.23Å; L544-E548 PolarHBondContact N-O 3.19Å; N546-E548 PolarHBondContact ND2-OE2 3.41Å; N546-E548 WeakPolarHBondContact OD1-CB 3.38Å; N546-E548 PolarHBondContact OD1-N 3.32Å; N546-E548 VanDerWaalsContact OD1-N 3.07Å
549R59.4Low50.1Low109 Ų10981.5 Ų81.541%0.41146%0.46SS..EExtended strand (participates in β ladder)trans-101.2113.5-175.9-63.6-178.7176.1-155.3-7.8110.5S525 V540 I543 I551S525-R549 PolarHBondContact OG-NH2 2.91Å; V540-R549 HydrophobicContact CG1-CB 4.26Å; V540-R549 HydrophobicContact CG1-CG 4.42Å; V540-R549 HydrophobicContact CG2-CB 4.47Å; I543-R549 HydrophobicContact CG1-CG 4.44Å; R549-I551 HydrophobicContact CB-CG2 4.35Å; R549-I551 PolarHBondContact O-N 3.42Å
550V54.4Low49.3Very low38 Ų3882.9 Ų82.923%0.2347%0.465CS..EExtended strand (participates in β ladder)trans-74.6115.4168.7-176.50000108V540 L541 R542 L544V540-V550 CarbonylContact C-O 3.53Å; L541-V550 PolarHBondContact N-O 3.06Å; R542-V550 HydrophobicContact CB-CB 4.26Å; R542-V550 HydrophobicContact CB-CG2 4.35Å; R542-V550 PolarHBondContact N-O 3.44Å; R542-V550 PolarHBondContact O-N 2.62Å; L544-V550 HydrophobicContact CD1-CG2 4.43Å; L544-V550 HydrophobicContact CD2-CG2 4.19Å; L544-V550 HydrophobicContact CG-CG2 4.12Å
551I57.4Low48.7Very low79 Ų7985.9 Ų85.941%0.40548%0.481SS..EExtended strand (participates in β ladder)trans-118.3154.9-17549.5166.5000111.8V538 T539 V540 R549V538-I551 HydrophobicContact CB-CB 4.2Å; V538-I551 HydrophobicContact CB-CD1 4.47Å; V538-I551 HydrophobicContact CG2-CB 4.16Å; V538-I551 HydrophobicContact CG2-CD1 4.03Å; V538-I551 HydrophobicContact CG2-CG2 4.15Å; T539-I551 WeakPolarHBondContact O-CA 3.14Å; V540-I551 HydrophobicContact CG2-CG2 3.97Å; R549-I551 HydrophobicContact CB-CG2 4.35Å; R549-I551 PolarHBondContact O-N 3.42Å
552K48.4Very low48.1Very low148 Ų14889.6 Ų89.664%0.64350%0.501SS*.EExtended strand (participates in β ladder)trans-138134.3177.4-176174.5178.7179.30112.5V538 T539 L541V538-K552 WeakPolarHBondContact CA-O 3.23Å; T539-K552 PolarHBondContact N-O 3.2Å; T539-K552 VanDerWaalsContact N-O 3.14Å; T539-K552 PolarHBondContact O-N 2.93Å; T539-K552 VanDerWaalsContact O-N 3.09Å; L541-K552 HydrophobicContact CD1-CB 3.72Å; L541-K552 HydrophobicContact CD1-CD 3.97Å; L541-K552 HydrophobicContact CD1-CG 4.48Å; L541-K552 HydrophobicContact CG-CB 4.12Å
553G44.8Very low47.7Very low32 Ų3288.8 Ų88.833%0.3351%0.51SS..  trans176.5174.9174.100000111.8Y555G553-Y555 WeakPolarHBondContact O-CD2 2.96Å; G553-Y555 PolarHBondContact O-N 3.36Å
554G42.9Very low46.9Very low69 Ų6989.8 Ų89.871%0.71153%0.526SS*.SBendtrans75.1-66.1160.900000119
555Y37.8Very low46Very low103 Ų10390.2 Ų90.240%0.40453%0.531SS..  trans-93.3163.7-144.5-53.1-67.1000117.1G553G553-Y555 WeakPolarHBondContact O-CD2 2.96Å; G553-Y555 PolarHBondContact O-N 3.36Å
556S35.7Very low45.7Very low56 Ų5686.6 Ų86.639%0.39250%0.502SS..  trans-75.6151.6174169.10000110.7S558 D559S556-S558 VanDerWaalsContact CB-OG 3.28Å; S556-S558 WeakPolarHBondContact CB-OG 3.43Å; S556-S558 PolarHBondContact O-N 3.07Å; S556-S558 PolarHBondContact OG-N 3.17Å; S556-S558 PolarHBondContact OG-OG 3.05Å; S556-D559 VanDerWaalsContact CB-OD2 3.28Å; S556-D559 WeakPolarHBondContact CB-OD2 3.38Å; S556-D559 PolarHBondContact N-OD2 3.13Å; S556-D559 WeakPolarHBondContact O-CB 3.47Å; S556-D559 PolarHBondContact O-N 2.56Å
557P37.8Very low44.7Very low122 Ų12285.2 Ų85.279%0.79250%0.498SS*.THydrogen-bonded Turntrans-58.4-10.5172.2-24.735.1000115.3D559P557-D559 VanDerWaalsContact C-N 3.32Å
558S43.6Very low44Very low93 Ų9392 Ų9265%0.6552%0.515SS*.THydrogen-bonded Turntrans-74.9-18.5170.747.60000114.4S556S556-S558 VanDerWaalsContact CB-OG 3.28Å; S556-S558 WeakPolarHBondContact CB-OG 3.43Å; S556-S558 PolarHBondContact O-N 3.07Å; S556-S558 PolarHBondContact OG-N 3.17Å; S556-S558 PolarHBondContact OG-OG 3.05Å
559D41.5Very low43.8Very low73 Ų7393.7 Ų93.739%0.3952%0.523SS..SBendtrans-106.69.8-164.6-40.8-26.9000111.5S556 P557S556-D559 VanDerWaalsContact CB-OD2 3.28Å; S556-D559 WeakPolarHBondContact CB-OD2 3.38Å; S556-D559 PolarHBondContact N-OD2 3.13Å; S556-D559 WeakPolarHBondContact O-CB 3.47Å; S556-D559 PolarHBondContact O-N 2.56Å; P557-D559 VanDerWaalsContact C-N 3.32Å
560L39.7Very low43.3Very low83 Ų8391.3 Ų91.344%0.43552%0.516SS..SBendtrans-113.4133.2-177.2-66.1173000110.5
561N46.1Very low42.7Very low64 Ų6492.1 Ų92.134%0.34252%0.519SS..  trans-61.6160.9168.6-57.417.1000109.3D563 G564 V565 E570N561-D563 PolarHBondContact O-N 3.3Å; N561-G564 PolarHBondContact O-N 3.3Å; N561-V565 WeakPolarHBondContact CB-O 3.25Å; N561-V565 VanDerWaalsContact CG-O 3.26Å; N561-V565 PolarHBondContact ND2-O 3.08Å; N561-E570 PolarHBondContact ND2-OE1 3.27Å; N561-E570 PolarHBondContact ND2-OE2 3.01Å
562N43.4Very low42.1Very low174 Ų17491.2 Ų91.293%0.9352%0.52SS*.THydrogen-bonded Turntrans-52.3-28.7-178-76.3-19.4000114.2
563D44Very low42.2Very low151 Ų15188.6 Ų88.681%0.80751%0.51SS*.THydrogen-bonded Turntrans-93.51.4-179-51-57.2000113.7N561N561-D563 PolarHBondContact O-N 3.3Å
564G37.7Very low42.3Very low43 Ų4389.9 Ų89.944%0.44351%0.511SS..SBendtrans76.319.9176.400000115.8N561N561-G564 PolarHBondContact O-N 3.3Å
565V39.1Very low42.2Very low73 Ų7390.1 Ų90.144%0.44249%0.494SS..  trans-127.5140.3-176.1-179.10000110.5N561N561-V565 WeakPolarHBondContact CB-O 3.25Å; N561-V565 VanDerWaalsContact CG-O 3.26Å; N561-V565 PolarHBondContact ND2-O 3.08Å
566L42.5Very low42.6Very low41 Ų4191.2 Ų91.222%0.21550%0.502CS..  trans-107.9137.4168.1-72.1166.9000109.7E570 L571L566-E570 HydrophobicContact CD2-CB 4.09Å; L566-L571 HydrophobicContact CB-CG 4.2Å; L566-L571 HydrophobicContact CD1-CD2 4.26Å
567T42Very low43.3Very low75 Ų7596.3 Ų96.346%0.4651%0.513SS..  trans-82.8166.6172.964.50000112.3E569 E570 L571T567-E569 VanDerWaalsContact C-N 3.3Å; T567-E569 PolarHBondContact O-N 2.92Å; T567-E570 VanDerWaalsContact CB-OE2 3.29Å; T567-E570 WeakPolarHBondContact CB-OE2 3.39Å; T567-E570 WeakPolarHBondContact CG2-OE2 3.32Å; T567-E570 PolarHBondContact N-OE2 3.17Å; T567-E570 PolarHBondContact O-N 2.99Å; T567-E570 VanDerWaalsContact O-N 3.16Å; T567-E570 VanDerWaalsContact OG1-CD 3.29Å; T567-E570 WeakPolarHBondContact OG1-CG 3.26Å; T567-E570 PolarHBondContact OG1-N 2.76Å; T567-E570 PolarHBondContact OG1-OE2 3.48Å; T567-L571 PolarHBondContact O-N 2.8Å
568F39.4Very low43.5Very low187 Ų18793.7 Ų93.782%0.8250%0.502SS*.Hα-helixtrans-62.5-33.4-179.8-159.7-90.8000113.2S572F568-S572 PolarHBondContact O-N 3.08Å
569E42.9Very low43.3Very low155 Ų15596 Ų9672%0.72451%0.507SS*.Hα-helixtrans-75.5-29.4174.8-69.5-172.5120.500113T567 Q573T567-E569 VanDerWaalsContact C-N 3.3Å; T567-E569 PolarHBondContact O-N 2.92Å; E569-Q573 WeakPolarHBondContact O-CG 3.28Å; E569-Q573 PolarHBondContact O-N 2.79Å; E569-Q573 PolarHBondContact O-NE2 2.92Å; E569-Q573 VanDerWaalsContact O-NE2 3.14Å
570E48.3Very low43.2Very low59 Ų5999.3 Ų99.328%0.27652%0.52SS..Hα-helixtrans-74.3-41.2174.8-70.8164.2130.800111.3N561 L566 T567 S572 Q573 V574N561-E570 PolarHBondContact ND2-OE1 3.27Å; N561-E570 PolarHBondContact ND2-OE2 3.01Å; L566-E570 HydrophobicContact CD2-CB 4.09Å; T567-E570 VanDerWaalsContact CB-OE2 3.29Å; T567-E570 WeakPolarHBondContact CB-OE2 3.39Å; T567-E570 WeakPolarHBondContact CG2-OE2 3.32Å; T567-E570 PolarHBondContact N-OE2 3.17Å; T567-E570 PolarHBondContact O-N 2.99Å; T567-E570 VanDerWaalsContact O-N 3.16Å; T567-E570 VanDerWaalsContact OG1-CD 3.29Å; T567-E570 WeakPolarHBondContact OG1-CG 3.26Å; T567-E570 PolarHBondContact OG1-N 2.76Å; T567-E570 PolarHBondContact OG1-OE2 3.48Å; E570-S572 PolarHBondContact O-N 3.11Å; E570-Q573 PolarHBondContact O-N 3.45Å; E570-V574 WeakPolarHBondContact O-CG2 3.38Å; E570-V574 PolarHBondContact O-N 3.25Å
571L42.2Very low42.9Very low54 Ų54102.9 Ų102.928%0.28353%0.534SS..Hα-helixtrans-55.8-48.9173.3-79.7162.9000111.7L566 T567 Q573 V574 E575L566-L571 HydrophobicContact CB-CG 4.2Å; L566-L571 HydrophobicContact CD1-CD2 4.26Å; T567-L571 PolarHBondContact O-N 2.8Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 2.95Å; L571-V574 PolarHBondContact O-N 3.45Å; L571-E575 PolarHBondContact O-N 3.37Å
572S44.2Very low42.1Very low60 Ų60105 Ų10542%0.4255%0.552SS.*Hα-helixtrans-55.9-41.8176.4-175.50000112.6F568 E570 V574 E575 E576F568-S572 PolarHBondContact O-N 3.08Å; E570-S572 PolarHBondContact O-N 3.11Å; S572-V574 VanDerWaalsContact C-N 3.34Å; S572-V574 PolarHBondContact O-N 2.62Å; S572-E575 PolarHBondContact O-N 3.26Å; S572-E576 PolarHBondContact O-N 2.92Å
573Q49.7Very low41.3Very low93 Ų93108 Ų10844%0.43555%0.552SS.*Hα-helixtrans-70.8-25.2177-72.2174.463.300113.9E569 E570 L571 R577E569-Q573 WeakPolarHBondContact O-CG 3.28Å; E569-Q573 PolarHBondContact O-N 2.79Å; E569-Q573 PolarHBondContact O-NE2 2.92Å; E569-Q573 VanDerWaalsContact O-NE2 3.14Å; E570-Q573 PolarHBondContact O-N 3.45Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 2.95Å; Q573-R577 WeakPolarHBondContact O-CD 3.41Å; Q573-R577 VanDerWaalsContact O-CG 3.22Å; Q573-R577 WeakPolarHBondContact O-CG 3.26Å; Q573-R577 PolarHBondContact O-N 2.98Å; Q573-R577 PolarHBondContact O-NE 2.89Å
574V48.2Very low40.6Very low59 Ų59108.7 Ų108.736%0.35855%0.55SS.*Hα-helixtrans-75.1-42.5171.9173.20000110.2E570 L571 S572 R577 A578E570-V574 WeakPolarHBondContact O-CG2 3.38Å; E570-V574 PolarHBondContact O-N 3.25Å; L571-V574 PolarHBondContact O-N 3.45Å; S572-V574 VanDerWaalsContact C-N 3.34Å; S572-V574 PolarHBondContact O-N 2.62Å; V574-R577 PolarHBondContact O-N 3.17Å; V574-A578 PolarHBondContact O-N 2.7Å
575E39.9Very low40Very low75 Ų75116 Ų11635%0.3557%0.573SS.*Hα-helixtrans-62.4-42175.9-69-177164.800112.5W534 L571 S572 R577 A578 N579W534-E575 PolarHBondContact NE1-OE1 3.28Å; L571-E575 PolarHBondContact O-N 3.37Å; S572-E575 PolarHBondContact O-N 3.26Å; E575-R577 VanDerWaalsContact C-N 3.28Å; E575-R577 PolarHBondContact O-N 2.73Å; E575-A578 PolarHBondContact O-N 2.79Å; E575-N579 WeakPolarHBondContact O-CB 3.48Å; E575-N579 PolarHBondContact O-N 3.48Å; E575-N579 PolarHBondContact O-ND2 3.42Å
576E46.4Very low39.5Very low125 Ų125118.6 Ų118.658%0.58459%0.589SS**Hα-helixtrans-61.4-34.9174.1-78.5-162.1140.300112.6S572 Q580S572-E576 PolarHBondContact O-N 2.92Å; E576-Q580 VanDerWaalsContact O-CG 3.31Å; E576-Q580 WeakPolarHBondContact O-CG 3.39Å; E576-Q580 PolarHBondContact O-NE2 2.96Å
577R51.6Low38.7Very low163 Ų163122 Ų12262%0.61561%0.614SS**Hα-helixtrans-74-39.8177.9-70169.1-163.5178.19112.1Q573 V574 E575Q573-R577 WeakPolarHBondContact O-CD 3.41Å; Q573-R577 VanDerWaalsContact O-CG 3.22Å; Q573-R577 WeakPolarHBondContact O-CG 3.26Å; Q573-R577 PolarHBondContact O-N 2.98Å; Q573-R577 PolarHBondContact O-NE 2.89Å; V574-R577 PolarHBondContact O-N 3.17Å; E575-R577 VanDerWaalsContact C-N 3.28Å; E575-R577 PolarHBondContact O-N 2.73Å
578A41.9Very low38.1Very low68 Ų68127.3 Ų127.356%0.56263%0.633SS**Hα-helixtrans-64.7-45178.200000111.7V574 E575 Q580 Q581V574-A578 PolarHBondContact O-N 2.7Å; E575-A578 PolarHBondContact O-N 2.79Å; A578-Q580 PolarHBondContact O-N 3.04Å; A578-Q581 PolarHBondContact O-N 2.94Å
579N37.8Very low37.4Very low140 Ų140127.7 Ų127.775%0.74964%0.638SS**THydrogen-bonded Turntrans-71.9-9.8-177.5-74.8-64.5000114.7E575E575-N579 WeakPolarHBondContact O-CB 3.48Å; E575-N579 PolarHBondContact O-N 3.48Å; E575-N579 PolarHBondContact O-ND2 3.42Å
580Q39.9Very low36.7Very low144 Ų144123.7 Ų123.767%0.67364%0.637SS**THydrogen-bonded Turntrans-89.5-3.5179.2-79.1176.971.400114.6E576 A578E576-Q580 VanDerWaalsContact O-CG 3.31Å; E576-Q580 WeakPolarHBondContact O-CG 3.39Å; E576-Q580 PolarHBondContact O-NE2 2.96Å; A578-Q580 PolarHBondContact O-N 3.04Å
581Q33Very low35.8Very low157 Ų157128.8 Ų128.873%0.73466%0.661SS**SBendtrans-106.5114.2179.2-62.4-1642600112.4A578 Y583A578-Q581 PolarHBondContact O-N 2.94Å; Q581-Y583 PolarHBondContact O-N 2.85Å
582P29Very low35.2Very low110 Ų110132.7 Ų132.771%0.71468%0.682SS**  trans-73122175.129.2-33000110.6Q584P582-Q584 PolarHBondContact O-N 3.27Å
583Y28.3Very low34.4Very low237 Ų237140.6 Ų140.693%0.92971%0.705SS**  trans-59100.6174.9-106.1-92.7000111.3Q581Q581-Y583 PolarHBondContact O-N 2.85Å
584Q27.9Very low33.5Very low165 Ų165147.6 Ų147.677%0.77173%0.729SS**  trans-78.8132.2167.3-65.9-162.412.400110P582 T586P582-Q584 PolarHBondContact O-N 3.27Å; Q584-T586 PolarHBondContact O-N 3.23Å; Q584-T586 VanDerWaalsContact O-N 3.11Å
585Q25.8Very low32.5Very low196 Ų196154 Ų15492%0.91676%0.755SS**  trans-74.798173.3-65.8-179.35.300109.8
586T27.6Very low32.1Very low127 Ų127159.2 Ų159.278%0.77978%0.779SS**  trans-81.2126.8176-53.10000110.8Q584Q584-T586 PolarHBondContact O-N 3.23Å; Q584-T586 VanDerWaalsContact O-N 3.11Å
587P26.2Very low31.4Very low113 Ų113162.3 Ų162.373%0.73479%0.794SS**  trans-68.7164.4179.9-21.734.1000114.7Q589P587-Q589 PolarHBondContact O-N 2.65Å
588Q29.2Very low30.2Very low186 Ų186161.1 Ų161.187%0.86981%0.805SS**SBendtrans-63.3112.3176.5-62.1174.30.200112.6
589Q25.8Very low29.9Very low196 Ų196163.8 Ų163.892%0.91682%0.816SS**  trans-171.2153.7155.9-111.9154.897.900112.9P587P587-Q589 PolarHBondContact O-N 2.65Å
590G28.3Very low29.7Very low70 Ų70164.9 Ų164.972%0.72282%0.817SS**  trans104.7100.3-175.600000111.1
591Q29.1Very low29.3Very low166 Ų166166.8 Ų166.878%0.77683%0.826SS**  cis70.4116.149.8-61.6-158.415.800116.2
592N29.5Very low29.1Very low136 Ų136162.5 Ų162.573%0.72782%0.823SS**  trans55.299.9139.3-58-23000120
593Y26.7Very low29.2Very low226 Ų226165.8 Ų165.889%0.88683%0.829SS**  trans-132.394.3146.9-90.3-90.4000110
594Y31.2Very low29.6Very low241 Ų241161.8 Ų161.895%0.94582%0.824SS**  trans178.568151.7-95.1-58000110.9
595Q27.8Very low29.7Very low193 Ų193160.6 Ų160.690%0.90282%0.823SS**  trans-144.7122.1157.8-80.2-164.1-4.800110
596Q30.5Very low30.2Very low185 Ų185159.3 Ų159.386%0.86482%0.817SS**  trans-145155.2159.1-72.8-164.311.700109.2
597Q32.1Very low30.4Very low190 Ų190161 Ų16189%0.88882%0.816SS**  trans82.592.9177-53.2-173.654.700117.2
598T27.6Very low30.9Very low138 Ų138164.8 Ų164.885%0.84782%0.824SS**  trans-136.5119.8154.4-35.50000109
599P35.2Very low31.1Very low124 Ų124164.7 Ų164.781%0.80582%0.824SS**  trans-71.8170167.7-19.634.3000112.7
600Q32.5Very low31.7Very low162 Ų162163.5 Ų163.576%0.75782%0.822SS**  trans-98.1169.6-172.1-53.1176-4.800113.6
601Q32.3Very low32.2Very low185 Ų185165.8 Ų165.886%0.86482%0.824SS**  trans71.7146.3163.2-55.1160.140.500115.1
602G29.4Very low32.3Very low66 Ų66166.9 Ų166.968%0.6883%0.829SS**  cis166.7134.3-9.400000112
603Q30.4Very low32.7Very low180 Ų180168.6 Ų168.684%0.84183%0.832SS**  trans51.6111.1170.7-56.9-179.53.900118.5
604N36Very low33.2Very low152 Ų152166 Ų16681%0.81383%0.828SS**  176.8165.7103.3-96.5-62.4000114.4
605N30.8Very low33.2Very low140 Ų140163 Ų16375%0.74982%0.823SS**  trans-89.9140.7-176.7-61.4-53.3000113.7
606Q35.6Very low33.7Very low170 Ų170160.1 Ų160.179%0.79481%0.814SS**  -175.7113.6126.9-99.8149.6101.300109.4
607Q32.3Very low34Very low163 Ų163158.4 Ų158.476%0.76281%0.806SS**  67.299.694.8-72-175.3-7.600115.2
608Q36.6Very low34.1Very low191 Ų191156 Ų15689%0.89379%0.794SS**  -171.1143.3100-96.5166.55300112.4
609Q32.8Very low34.5Very low185 Ų185157.4 Ų157.486%0.86479%0.791SS**  trans-137.3141.9168.1-72.8-178.5-8.200107.7
610I39.6Very low34.3Very low171 Ų171157.8 Ų157.888%0.87779%0.792SS**  trans-138.7142.2154.9-67.3-169.7000107.4
611P37.2Very low34.6Very low117 Ų117155.1 Ų155.176%0.7679%0.789SS**  trans-122.9-168.5-148.143.2-29.5000115.5
612Q32Very low34.7Very low189 Ų189155.7 Ų155.788%0.88379%0.791SS**  trans-81.6156.6175.5-63.4175.9-8.500113.7
613Q38.5Very low34.9Very low172 Ų172156.2 Ų156.280%0.80480%0.797SS**  trans-152.5153.8163.4-85.1-172.1-37.500107.7
614E36.1Very low35.2Very low171 Ų171154.8 Ų154.880%0.79980%0.795SS**  cis-159.8164.3-30.3-133.9172.5155.400107.3
615Q32.7Very low35Very low179 Ų179156.6 Ų156.684%0.83680%0.799SS**  trans-101.4150.3-179.2-67.1-177.9-4.800112.5
616N37.8Very low35.2Very low133 Ų133153.4 Ų153.471%0.71180%0.798SS**  trans-169.1126.9142.6-91.3-32.5000109.9
617Q36Very low35Very low149 Ų149151.8 Ų151.870%0.69680%0.8SS**  64.113291.5-62.4-168.773.600113.7
618Q34.7Very low35.2Very low138 Ų138152.7 Ų152.765%0.64580%0.804SS**  cis-169.1175.79.9-125.2-174.543.600112.4
619Q35.5Very low35Very low168 Ų168147.7 Ų147.779%0.78579%0.791SS**  trans79.4115.9155-70.5162.644.800123.4
620T30.7Very low35.1Very low133 Ų133145.3 Ų145.382%0.81678%0.784SS**  trans-89.5-178.7147240000110
621P38.9Very low35Very low106 Ų106145.7 Ų145.769%0.68878%0.782SS**  cis-147.7-178.923.144.9-23.8000119.5
622Q34.1Very low34.9Very low196 Ų196144.3 Ų144.392%0.91678%0.775SS**  trans31.7135.5145.6-66.2174.8-4.400123.5
623G33.8Very low35Very low78 Ų78143.2 Ų143.280%0.80478%0.775SS**  trans176.7105.7158.900000118.8
624N36.9Very low34.8Very low150 Ų150138.5 Ų138.580%0.80277%0.772SS**  trans23.2124.5157.9-70.6-5.7000125.3
625Q33.2Very low34.9Very low190 Ų190138.1 Ų138.189%0.88877%0.77SS**  21.9138.5123.1-54.8179-0.100121.7
626G33.2Very low35.1Very low72 Ų72137 Ų13774%0.74277%0.765SS**  trans161.966.2150.700000122.5
627V32.9Very low35.1Very low137 Ų137137.8 Ų137.883%0.8377%0.77SS**  trans41.9147.2145.4-143.20000122.8
628Q36.3Very low35.8Very low181 Ų181135.2 Ų135.285%0.84677%0.766SS**  trans81.4146.2164.2-51.4-176.96.800117
629S32.9Very low36Very low87 Ų87133.1 Ų133.161%0.60877%0.767SS**  cis-170.9158.6-22.456.60000112.2
630N34.9Very low36.3Very low135 Ų135131.5 Ų131.572%0.72276%0.763SS**  trans76.5144.5152.2-67.9-17.1000122.7
631Q37.5Very low36.7Very low179 Ų179131.4 Ų131.484%0.83675%0.754SS**  trans70.1157.7154-69.31621300120
632S34.1Very low36.7Very low88 Ų88133.5 Ų133.562%0.61575%0.754SS**  175.3144.4-59.7500000112
633N34.1Very low37.2Very low166 Ų166130 Ų13089%0.88875%0.747SS**  trans78.5143161.1-55.7-17000120.6
634G34.8Very low37.7Very low72 Ų72131.6 Ų131.674%0.74274%0.742SS**  trans101.3144.6160.200000117
635E37.3Very low38Very low163 Ų163129.7 Ų129.776%0.76274%0.736SS**  cis-155.7145.1-10.5-81-163.6100.900112.2
636Q37.5Very low38.3Very low155 Ų155129.4 Ų129.472%0.72474%0.735SS**  trans42.2125.6139.2-49.7-173.850.100122.3
637N37.9Very low38.6Very low151 Ų151131.8 Ų131.881%0.80773%0.731SS**  81.6167.571.8-132.817.5000113.7
638P49.5Very low38.9Very low94 Ų94132.4 Ų132.461%0.6172%0.724SS**  cis-142.2-164.1-2.745.7-26000117.3
639S39.7Very low39.1Very low95 Ų95130.7 Ų130.766%0.66472%0.716SS**  trans76.7141.815361.70000120.1
640N41.9Very low39.5Very low134 Ų134134.6 Ų134.672%0.71773%0.725SS**  cis-166.1171.8-1-10512.5000108.2
641Q39.2Very low39.7Very low131 Ų131134.4 Ų134.461%0.61273%0.729SS**  cis-165.4153.3-4.2-124172.9-51.600111.1
642E40Very low40.2Very low149 Ų149131.6 Ų131.670%0.69673%0.726SS**  trans45.7155.5138-72.6166.7-136.500124.1
643T43Very low40.4Very low124 Ų124135.9 Ų135.976%0.76174%0.736SS**  cis-146.4169.310.10.70000112
644P45.6Very low41.1Very low110 Ų110135.5 Ų135.571%0.71474%0.735SS**  trans-123-164.4-161.943.2-30.1000115.7
645V42.4Very low41.8Very low111 Ų111145 Ų14567%0.67376%0.759SS**  trans163131.9130.3156.70000115.3
646Q39.9Very low42Very low183 Ų183144.1 Ų144.186%0.85576%0.759SS**  trans59.5165.9158.4-74.51571300122.4
647D38.6Very low42.2Very low123 Ų123143.5 Ų143.566%0.65876%0.761SS**  cis-176.1159.8-49.4-166.412.3000109.2
648Q39.9Very low42.5Very low149 Ų149143.1 Ų143.170%0.69676%0.758SS**  trans64.2154.9166.1-72.4162.365.100118.3
649Q40.5Very low42.1Very low146 Ų146145.9 Ų145.968%0.68277%0.767SS**  cis-165.4166.1-30.8-125-177.352.500110.1
650Q41.3Very low42.2Very low169 Ų169149.1 Ų149.179%0.7977%0.774SS**  trans69.9117.8157.6-66.6165.644.100121.5
651T38.6Very low42.2Very low130 Ų130150.1 Ų150.180%0.79878%0.777SS**  trans-78.4161.9147.4-8.10000110.2
652P49.2Very low42.4Very low121 Ų121151.5 Ų151.579%0.78679%0.789SS**  -149.8-173.979.340.4-20.4000116.3
653Q38.4Very low42.6Very low177 Ų177151.7 Ų151.783%0.82780%0.796SS**  trans-69162-176.3-56.9152.9-5400114.6
654N48.2Very low42.6Very low159 Ų159154 Ų15485%0.8580%0.799SS**  trans-164.7143131-110.6-38.2000113.7
655Q48.7Very low42.3Very low270 Ų270158 Ų158100%1.26281%0.807SS**  trans69.20-179.5-57.2-170.111.800116

Retrieved 655 of 655 residues in 203.5 ms (Link to these results)

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